data_6HRO # _entry.id 6HRO # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.397 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code _database_2.pdbx_database_accession _database_2.pdbx_DOI PDB 6HRO pdb_00006hro 10.2210/pdb6hro/pdb WWPDB D_1200012146 ? ? # 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 2019-02-27 2 'Structure model' 1 1 2019-03-06 3 'Structure model' 1 2 2019-04-10 4 'Structure model' 2 0 2020-07-29 5 'Structure model' 2 1 2024-10-16 # loop_ _pdbx_audit_revision_details.ordinal _pdbx_audit_revision_details.revision_ordinal _pdbx_audit_revision_details.data_content_type _pdbx_audit_revision_details.provider _pdbx_audit_revision_details.type _pdbx_audit_revision_details.description _pdbx_audit_revision_details.details 1 1 'Structure model' repository 'Initial release' ? ? 2 4 'Structure model' repository Remediation 'Carbohydrate remediation' ? # 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' 'Data collection' 2 2 'Structure model' 'Structure summary' 3 3 'Structure model' 'Data collection' 4 3 'Structure model' 'Database references' 5 4 'Structure model' 'Atomic model' 6 4 'Structure model' 'Data collection' 7 4 'Structure model' 'Derived calculations' 8 4 'Structure model' 'Structure summary' 9 5 'Structure model' 'Data collection' 10 5 'Structure model' 'Database references' 11 5 'Structure model' 'Derived calculations' 12 5 'Structure model' 'Structure summary' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' pdbx_seq_map_depositor_info 2 2 'Structure model' struct_keywords 3 3 'Structure model' citation 4 3 'Structure model' citation_author 5 3 'Structure model' database_PDB_rev 6 3 'Structure model' database_PDB_rev_record 7 3 'Structure model' pdbx_database_proc 8 3 'Structure model' pdbx_seq_map_depositor_info 9 4 'Structure model' atom_site 10 4 'Structure model' chem_comp 11 4 'Structure model' entity 12 4 'Structure model' pdbx_branch_scheme 13 4 'Structure model' pdbx_chem_comp_identifier 14 4 'Structure model' pdbx_entity_branch 15 4 'Structure model' pdbx_entity_branch_descriptor 16 4 'Structure model' pdbx_entity_branch_link 17 4 'Structure model' pdbx_entity_branch_list 18 4 'Structure model' pdbx_entity_nonpoly 19 4 'Structure model' pdbx_nonpoly_scheme 20 4 'Structure model' pdbx_struct_assembly_gen 21 4 'Structure model' struct_asym 22 4 'Structure model' struct_conn 23 4 'Structure model' struct_site 24 4 'Structure model' struct_site_gen 25 5 'Structure model' chem_comp 26 5 'Structure model' chem_comp_atom 27 5 'Structure model' chem_comp_bond 28 5 'Structure model' database_2 29 5 'Structure model' pdbx_entry_details 30 5 'Structure model' pdbx_modification_feature 31 5 'Structure model' struct_conn # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_pdbx_seq_map_depositor_info.one_letter_code_mod' 2 2 'Structure model' '_struct_keywords.pdbx_keywords' 3 2 'Structure model' '_struct_keywords.text' 4 3 'Structure model' '_citation.journal_abbrev' 5 3 'Structure model' '_citation.journal_id_ISSN' 6 3 'Structure model' '_citation.journal_volume' 7 3 'Structure model' '_citation.page_first' 8 3 'Structure model' '_citation.page_last' 9 3 'Structure model' '_citation.title' 10 3 'Structure model' '_citation_author.name' 11 3 'Structure model' '_pdbx_seq_map_depositor_info.one_letter_code_mod' 12 4 'Structure model' '_atom_site.B_iso_or_equiv' 13 4 'Structure model' '_atom_site.Cartn_x' 14 4 'Structure model' '_atom_site.Cartn_y' 15 4 'Structure model' '_atom_site.Cartn_z' 16 4 'Structure model' '_atom_site.auth_asym_id' 17 4 'Structure model' '_atom_site.auth_atom_id' 18 4 'Structure model' '_atom_site.auth_comp_id' 19 4 'Structure model' '_atom_site.auth_seq_id' 20 4 'Structure model' '_atom_site.label_asym_id' 21 4 'Structure model' '_atom_site.label_atom_id' 22 4 'Structure model' '_atom_site.label_comp_id' 23 4 'Structure model' '_atom_site.label_entity_id' 24 4 'Structure model' '_atom_site.type_symbol' 25 4 'Structure model' '_chem_comp.name' 26 4 'Structure model' '_chem_comp.type' 27 4 'Structure model' '_pdbx_struct_assembly_gen.asym_id_list' 28 4 'Structure model' '_struct_conn.pdbx_role' 29 4 'Structure model' '_struct_conn.ptnr1_auth_asym_id' 30 4 'Structure model' '_struct_conn.ptnr1_auth_seq_id' 31 4 'Structure model' '_struct_conn.ptnr1_label_asym_id' 32 4 'Structure model' '_struct_conn.ptnr2_auth_asym_id' 33 4 'Structure model' '_struct_conn.ptnr2_auth_seq_id' 34 4 'Structure model' '_struct_conn.ptnr2_label_asym_id' 35 5 'Structure model' '_chem_comp.pdbx_synonyms' 36 5 'Structure model' '_database_2.pdbx_DOI' 37 5 'Structure model' '_database_2.pdbx_database_accession' 38 5 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 6HRO _pdbx_database_status.recvd_initial_deposition_date 2018-09-27 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_nmr_data ? # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'Ren, J.' 1 ? 'Zhao, Y.' 2 ? 'Stuart, D.I.' 3 ? # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev J.Med.Chem. _citation.journal_id_ASTM JMCMAR _citation.journal_id_CSD 0151 _citation.journal_id_ISSN 0022-2623 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 62 _citation.language ? _citation.page_first 2928 _citation.page_last 2937 _citation.title 'Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library.' _citation.year 2019 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1021/acs.jmedchem.8b01328 _citation.pdbx_database_id_PubMed 30785281 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Shaikh, F.' 1 ? primary 'Zhao, Y.' 2 ? primary 'Alvarez, L.' 3 ? primary 'Iliopoulou, M.' 4 ? primary 'Lohans, C.' 5 ? primary 'Schofield, C.J.' 6 ? primary 'Padilla-Parra, S.' 7 ? primary 'Siu, S.W.I.' 8 ? primary 'Fry, E.E.' 9 ? primary 'Ren, J.' 10 ? primary 'Stuart, D.I.' 11 ? # 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 'Envelope glycoprotein,Envelope glycoprotein,Envelope glycoprotein' 36387.824 1 ? T42A,T42A,T42A ? ? 2 polymer man 'Envelope glycoprotein' 18922.320 1 ? H613A ? ? 3 branched man ;alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; 910.823 1 ? ? ? ? 4 non-polymer man 2-acetamido-2-deoxy-beta-D-glucopyranose 221.208 5 ? ? ? ? 5 non-polymer syn GLYCEROL 92.094 4 ? ? ? ? 6 non-polymer syn '1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide' 455.957 2 ? ? ? ? 7 non-polymer syn 'DIMETHYL SULFOXIDE' 78.133 1 ? ? ? ? 8 water nat water 18.015 138 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 GP1,2,GP,GP1,2,GP,GP1,2,GP 2 GP1,2,GP # 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 ;ETGRSIPLGVIHNSALQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWGFRSGVPPKVVNYEAGEWAEN CYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILP QAKKDFFSSHPLREPVNATEDPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRS NTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVS(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK) (UNK)THHQDTGEESASSGKLGLITNTIAGVAGLITGGRRTRR ; ;ETGRSIPLGVIHNSALQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWGFRSGVPPKVVNYEAGEWAEN CYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILP QAKKDFFSSHPLREPVNATEDPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRS NTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVSXXXXXXXXTHHQDTGEESASSGKLGLITNTIAGVA GLITGGRRTRR ; A ? 2 'polypeptide(L)' no no ;EAIVNAQPKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQLANETTQALQLFLRATTELRT FSILNRKAIDFLLQRWGGTCHILGPDCCIEPADWTKNITDKIDQIIHDFVDGSGYIPEAPRDGQAYVRKDGEWVLLSTFL GTHHHHHH ; ;EAIVNAQPKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQLANETTQALQLFLRATTELRT FSILNRKAIDFLLQRWGGTCHILGPDCCIEPADWTKNITDKIDQIIHDFVDGSGYIPEAPRDGQAYVRKDGEWVLLSTFL GTHHHHHH ; B ? # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 2-acetamido-2-deoxy-beta-D-glucopyranose NAG 5 GLYCEROL GOL 6 '1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide' GKZ 7 'DIMETHYL SULFOXIDE' DMS 8 water HOH # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 THR n 1 3 GLY n 1 4 ARG n 1 5 SER n 1 6 ILE n 1 7 PRO n 1 8 LEU n 1 9 GLY n 1 10 VAL n 1 11 ILE n 1 12 HIS n 1 13 ASN n 1 14 SER n 1 15 ALA n 1 16 LEU n 1 17 GLN n 1 18 VAL n 1 19 SER n 1 20 ASP n 1 21 VAL n 1 22 ASP n 1 23 LYS n 1 24 LEU n 1 25 VAL n 1 26 CYS n 1 27 ARG n 1 28 ASP n 1 29 LYS n 1 30 LEU n 1 31 SER n 1 32 SER n 1 33 THR n 1 34 ASN n 1 35 GLN n 1 36 LEU n 1 37 ARG n 1 38 SER n 1 39 VAL n 1 40 GLY n 1 41 LEU n 1 42 ASN n 1 43 LEU n 1 44 GLU n 1 45 GLY n 1 46 ASN n 1 47 GLY n 1 48 VAL n 1 49 ALA n 1 50 THR n 1 51 ASP n 1 52 VAL n 1 53 PRO n 1 54 SER n 1 55 ALA n 1 56 THR n 1 57 LYS n 1 58 ARG n 1 59 TRP n 1 60 GLY n 1 61 PHE n 1 62 ARG n 1 63 SER n 1 64 GLY n 1 65 VAL n 1 66 PRO n 1 67 PRO n 1 68 LYS n 1 69 VAL n 1 70 VAL n 1 71 ASN n 1 72 TYR n 1 73 GLU n 1 74 ALA n 1 75 GLY n 1 76 GLU n 1 77 TRP n 1 78 ALA n 1 79 GLU n 1 80 ASN n 1 81 CYS n 1 82 TYR n 1 83 ASN n 1 84 LEU n 1 85 GLU n 1 86 ILE n 1 87 LYS n 1 88 LYS n 1 89 PRO n 1 90 ASP n 1 91 GLY n 1 92 SER n 1 93 GLU n 1 94 CYS n 1 95 LEU n 1 96 PRO n 1 97 ALA n 1 98 ALA n 1 99 PRO n 1 100 ASP n 1 101 GLY n 1 102 ILE n 1 103 ARG n 1 104 GLY n 1 105 PHE n 1 106 PRO n 1 107 ARG n 1 108 CYS n 1 109 ARG n 1 110 TYR n 1 111 VAL n 1 112 HIS n 1 113 LYS n 1 114 VAL n 1 115 SER n 1 116 GLY n 1 117 THR n 1 118 GLY n 1 119 PRO n 1 120 CYS n 1 121 ALA n 1 122 GLY n 1 123 ASP n 1 124 PHE n 1 125 ALA n 1 126 PHE n 1 127 HIS n 1 128 LYS n 1 129 GLU n 1 130 GLY n 1 131 ALA n 1 132 PHE n 1 133 PHE n 1 134 LEU n 1 135 TYR n 1 136 ASP n 1 137 ARG n 1 138 LEU n 1 139 ALA n 1 140 SER n 1 141 THR n 1 142 VAL n 1 143 ILE n 1 144 TYR n 1 145 ARG n 1 146 GLY n 1 147 THR n 1 148 THR n 1 149 PHE n 1 150 ALA n 1 151 GLU n 1 152 GLY n 1 153 VAL n 1 154 VAL n 1 155 ALA n 1 156 PHE n 1 157 LEU n 1 158 ILE n 1 159 LEU n 1 160 PRO n 1 161 GLN n 1 162 ALA n 1 163 LYS n 1 164 LYS n 1 165 ASP n 1 166 PHE n 1 167 PHE n 1 168 SER n 1 169 SER n 1 170 HIS n 1 171 PRO n 1 172 LEU n 1 173 ARG n 1 174 GLU n 1 175 PRO n 1 176 VAL n 1 177 ASN n 1 178 ALA n 1 179 THR n 1 180 GLU n 1 181 ASP n 1 182 PRO n 1 183 SER n 1 184 SER n 1 185 GLY n 1 186 TYR n 1 187 TYR n 1 188 SER n 1 189 THR n 1 190 THR n 1 191 ILE n 1 192 ARG n 1 193 TYR n 1 194 GLN n 1 195 ALA n 1 196 THR n 1 197 GLY n 1 198 PHE n 1 199 GLY n 1 200 THR n 1 201 ASN n 1 202 GLU n 1 203 THR n 1 204 GLU n 1 205 TYR n 1 206 LEU n 1 207 PHE n 1 208 GLU n 1 209 VAL n 1 210 ASP n 1 211 ASN n 1 212 LEU n 1 213 THR n 1 214 TYR n 1 215 VAL n 1 216 GLN n 1 217 LEU n 1 218 GLU n 1 219 SER n 1 220 ARG n 1 221 PHE n 1 222 THR n 1 223 PRO n 1 224 GLN n 1 225 PHE n 1 226 LEU n 1 227 LEU n 1 228 GLN n 1 229 LEU n 1 230 ASN n 1 231 GLU n 1 232 THR n 1 233 ILE n 1 234 TYR n 1 235 THR n 1 236 SER n 1 237 GLY n 1 238 LYS n 1 239 ARG n 1 240 SER n 1 241 ASN n 1 242 THR n 1 243 THR n 1 244 GLY n 1 245 LYS n 1 246 LEU n 1 247 ILE n 1 248 TRP n 1 249 LYS n 1 250 VAL n 1 251 ASN n 1 252 PRO n 1 253 GLU n 1 254 ILE n 1 255 ASP n 1 256 THR n 1 257 THR n 1 258 ILE n 1 259 GLY n 1 260 GLU n 1 261 TRP n 1 262 ALA n 1 263 PHE n 1 264 TRP n 1 265 GLU n 1 266 THR n 1 267 LYS n 1 268 LYS n 1 269 ASN n 1 270 LEU n 1 271 THR n 1 272 ARG n 1 273 LYS n 1 274 ILE n 1 275 ARG n 1 276 SER n 1 277 GLU n 1 278 GLU n 1 279 LEU n 1 280 SER n 1 281 PHE n 1 282 THR n 1 283 VAL n 1 284 VAL n 1 285 SER n 1 286 UNK n 1 287 UNK n 1 288 UNK n 1 289 UNK n 1 290 UNK n 1 291 UNK n 1 292 UNK n 1 293 UNK n 1 294 THR n 1 295 HIS n 1 296 HIS n 1 297 GLN n 1 298 ASP n 1 299 THR n 1 300 GLY n 1 301 GLU n 1 302 GLU n 1 303 SER n 1 304 ALA n 1 305 SER n 1 306 SER n 1 307 GLY n 1 308 LYS n 1 309 LEU n 1 310 GLY n 1 311 LEU n 1 312 ILE n 1 313 THR n 1 314 ASN n 1 315 THR n 1 316 ILE n 1 317 ALA n 1 318 GLY n 1 319 VAL n 1 320 ALA n 1 321 GLY n 1 322 LEU n 1 323 ILE n 1 324 THR n 1 325 GLY n 1 326 GLY n 1 327 ARG n 1 328 ARG n 1 329 THR n 1 330 ARG n 1 331 ARG n 2 1 GLU n 2 2 ALA n 2 3 ILE n 2 4 VAL n 2 5 ASN n 2 6 ALA n 2 7 GLN n 2 8 PRO n 2 9 LYS n 2 10 CYS n 2 11 ASN n 2 12 PRO n 2 13 ASN n 2 14 LEU n 2 15 HIS n 2 16 TYR n 2 17 TRP n 2 18 THR n 2 19 THR n 2 20 GLN n 2 21 ASP n 2 22 GLU n 2 23 GLY n 2 24 ALA n 2 25 ALA n 2 26 ILE n 2 27 GLY n 2 28 LEU n 2 29 ALA n 2 30 TRP n 2 31 ILE n 2 32 PRO n 2 33 TYR n 2 34 PHE n 2 35 GLY n 2 36 PRO n 2 37 ALA n 2 38 ALA n 2 39 GLU n 2 40 GLY n 2 41 ILE n 2 42 TYR n 2 43 ILE n 2 44 GLU n 2 45 GLY n 2 46 LEU n 2 47 MET n 2 48 HIS n 2 49 ASN n 2 50 GLN n 2 51 ASP n 2 52 GLY n 2 53 LEU n 2 54 ILE n 2 55 CYS n 2 56 GLY n 2 57 LEU n 2 58 ARG n 2 59 GLN n 2 60 LEU n 2 61 ALA n 2 62 ASN n 2 63 GLU n 2 64 THR n 2 65 THR n 2 66 GLN n 2 67 ALA n 2 68 LEU n 2 69 GLN n 2 70 LEU n 2 71 PHE n 2 72 LEU n 2 73 ARG n 2 74 ALA n 2 75 THR n 2 76 THR n 2 77 GLU n 2 78 LEU n 2 79 ARG n 2 80 THR n 2 81 PHE n 2 82 SER n 2 83 ILE n 2 84 LEU n 2 85 ASN n 2 86 ARG n 2 87 LYS n 2 88 ALA n 2 89 ILE n 2 90 ASP n 2 91 PHE n 2 92 LEU n 2 93 LEU n 2 94 GLN n 2 95 ARG n 2 96 TRP n 2 97 GLY n 2 98 GLY n 2 99 THR n 2 100 CYS n 2 101 HIS n 2 102 ILE n 2 103 LEU n 2 104 GLY n 2 105 PRO n 2 106 ASP n 2 107 CYS n 2 108 CYS n 2 109 ILE n 2 110 GLU n 2 111 PRO n 2 112 ALA n 2 113 ASP n 2 114 TRP n 2 115 THR n 2 116 LYS n 2 117 ASN n 2 118 ILE n 2 119 THR n 2 120 ASP n 2 121 LYS n 2 122 ILE n 2 123 ASP n 2 124 GLN n 2 125 ILE n 2 126 ILE n 2 127 HIS n 2 128 ASP n 2 129 PHE n 2 130 VAL n 2 131 ASP n 2 132 GLY n 2 133 SER n 2 134 GLY n 2 135 TYR n 2 136 ILE n 2 137 PRO n 2 138 GLU n 2 139 ALA n 2 140 PRO n 2 141 ARG n 2 142 ASP n 2 143 GLY n 2 144 GLN n 2 145 ALA n 2 146 TYR n 2 147 VAL n 2 148 ARG n 2 149 LYS n 2 150 ASP n 2 151 GLY n 2 152 GLU n 2 153 TRP n 2 154 VAL n 2 155 LEU n 2 156 LEU n 2 157 SER n 2 158 THR n 2 159 PHE n 2 160 LEU n 2 161 GLY n 2 162 THR n 2 163 HIS n 2 164 HIS n 2 165 HIS n 2 166 HIS n 2 167 HIS n 2 168 HIS n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample 'Biological sequence' 1 285 ZEBOV ? GP ? Mayinga-76 ? ? ? ? 'Zaire ebolavirus (strain Mayinga-76)' 128952 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293T ? ? ? ? ? ? ? ? ? ? ? ? 1 2 sample 'Biological sequence' 286 293 ZEBOV ? GP ? Mayinga-76 ? ? ? ? 'Zaire ebolavirus (strain Mayinga-76)' 128952 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293T ? ? ? ? ? ? ? ? ? ? ? ? 1 3 sample 'Biological sequence' 294 331 ZEBOV ? GP ? Mayinga-76 ? ? ? ? 'Zaire ebolavirus' 128952 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293T ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 168 ZEBOV ? GP ? Mayinga-76 ? ? ? ? 'Zaire ebolavirus (strain Mayinga-76)' 128952 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293T ? ? ? ? ? ? ? ? ? ? ? ? # _pdbx_entity_branch.entity_id 3 _pdbx_entity_branch.type oligosaccharide # loop_ _pdbx_entity_branch_descriptor.ordinal _pdbx_entity_branch_descriptor.entity_id _pdbx_entity_branch_descriptor.descriptor _pdbx_entity_branch_descriptor.type _pdbx_entity_branch_descriptor.program _pdbx_entity_branch_descriptor.program_version 1 3 'DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-' 'Glycam Condensed Sequence' GMML 1.0 2 3 'WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3/a4-b1_b4-c1_c3-d1_c6-e1' WURCS PDB2Glycan 1.1.0 3 3 '[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}}' LINUCS PDB-CARE ? # loop_ _pdbx_entity_branch_link.link_id _pdbx_entity_branch_link.entity_id _pdbx_entity_branch_link.entity_branch_list_num_1 _pdbx_entity_branch_link.comp_id_1 _pdbx_entity_branch_link.atom_id_1 _pdbx_entity_branch_link.leaving_atom_id_1 _pdbx_entity_branch_link.entity_branch_list_num_2 _pdbx_entity_branch_link.comp_id_2 _pdbx_entity_branch_link.atom_id_2 _pdbx_entity_branch_link.leaving_atom_id_2 _pdbx_entity_branch_link.value_order _pdbx_entity_branch_link.details 1 3 2 NAG C1 O1 1 NAG O4 HO4 sing ? 2 3 3 BMA C1 O1 2 NAG O4 HO4 sing ? 3 3 4 MAN C1 O1 3 BMA O3 HO3 sing ? 4 3 5 MAN C1 O1 3 BMA O6 HO6 sing ? # 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 BMA 'D-saccharide, beta linking' . beta-D-mannopyranose 'beta-D-mannose; D-mannose; mannose' 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DMS non-polymer . 'DIMETHYL SULFOXIDE' ? 'C2 H6 O S' 78.133 GKZ non-polymer . '1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide' ? 'C24 H28 Cl N4 O3 1' 455.957 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN 'D-saccharide, alpha linking' . alpha-D-mannopyranose 'alpha-D-mannose; D-mannose; mannose' 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG 'D-saccharide, beta linking' . 2-acetamido-2-deoxy-beta-D-glucopyranose ;N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE ; 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 UNK 'L-peptide linking' . UNKNOWN ? 'C4 H9 N O2' 103.120 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier BMA 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DManpb BMA 'COMMON NAME' GMML 1.0 b-D-mannopyranose BMA 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 b-D-Manp BMA 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 Man MAN 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DManpa MAN 'COMMON NAME' GMML 1.0 a-D-mannopyranose MAN 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 a-D-Manp MAN 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 Man NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML 1.0 DGlcpNAcb NAG 'COMMON NAME' GMML 1.0 N-acetyl-b-D-glucopyranosamine NAG 'IUPAC CARBOHYDRATE SYMBOL' PDB-CARE 1.0 b-D-GlcpNAc NAG 'SNFG CARBOHYDRATE SYMBOL' GMML 1.0 GlcNAc # 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 GLU 1 28 ? ? ? A . n A 1 2 THR 2 29 ? ? ? A . n A 1 3 GLY 3 30 30 GLY GLY A . n A 1 4 ARG 4 31 31 ARG ARG A . n A 1 5 SER 5 32 32 SER SER A . n A 1 6 ILE 6 33 33 ILE ILE A . n A 1 7 PRO 7 34 34 PRO PRO A . n A 1 8 LEU 8 35 35 LEU LEU A . n A 1 9 GLY 9 36 36 GLY GLY A . n A 1 10 VAL 10 37 37 VAL VAL A . n A 1 11 ILE 11 38 38 ILE ILE A . n A 1 12 HIS 12 39 39 HIS HIS A . n A 1 13 ASN 13 40 40 ASN ASN A . n A 1 14 SER 14 41 41 SER SER A . n A 1 15 ALA 15 42 42 ALA ALA A . n A 1 16 LEU 16 43 43 LEU LEU A . n A 1 17 GLN 17 44 44 GLN GLN A . n A 1 18 VAL 18 45 45 VAL VAL A . n A 1 19 SER 19 46 46 SER SER A . n A 1 20 ASP 20 47 47 ASP ASP A . n A 1 21 VAL 21 48 48 VAL VAL A . n A 1 22 ASP 22 49 49 ASP ASP A . n A 1 23 LYS 23 50 50 LYS LYS A . n A 1 24 LEU 24 51 51 LEU LEU A . n A 1 25 VAL 25 52 52 VAL VAL A . n A 1 26 CYS 26 53 53 CYS CYS A . n A 1 27 ARG 27 54 54 ARG ARG A . n A 1 28 ASP 28 55 55 ASP ASP A . n A 1 29 LYS 29 56 56 LYS LYS A . n A 1 30 LEU 30 57 57 LEU LEU A . n A 1 31 SER 31 58 58 SER SER A . n A 1 32 SER 32 59 59 SER SER A . n A 1 33 THR 33 60 60 THR THR A . n A 1 34 ASN 34 61 61 ASN ASN A . n A 1 35 GLN 35 62 62 GLN GLN A . n A 1 36 LEU 36 63 63 LEU LEU A . n A 1 37 ARG 37 64 64 ARG ARG A . n A 1 38 SER 38 65 65 SER SER A . n A 1 39 VAL 39 66 66 VAL VAL A . n A 1 40 GLY 40 67 67 GLY GLY A . n A 1 41 LEU 41 68 68 LEU LEU A . n A 1 42 ASN 42 69 69 ASN ASN A . n A 1 43 LEU 43 70 70 LEU LEU A . n A 1 44 GLU 44 71 71 GLU GLU A . n A 1 45 GLY 45 72 72 GLY GLY A . n A 1 46 ASN 46 73 73 ASN ASN A . n A 1 47 GLY 47 74 74 GLY GLY A . n A 1 48 VAL 48 75 75 VAL VAL A . n A 1 49 ALA 49 76 76 ALA ALA A . n A 1 50 THR 50 77 77 THR THR A . n A 1 51 ASP 51 78 78 ASP ASP A . n A 1 52 VAL 52 79 79 VAL VAL A . n A 1 53 PRO 53 80 80 PRO PRO A . n A 1 54 SER 54 81 81 SER SER A . n A 1 55 ALA 55 82 82 ALA ALA A . n A 1 56 THR 56 83 83 THR THR A . n A 1 57 LYS 57 84 84 LYS LYS A . n A 1 58 ARG 58 85 85 ARG ARG A . n A 1 59 TRP 59 86 86 TRP TRP A . n A 1 60 GLY 60 87 87 GLY GLY A . n A 1 61 PHE 61 88 88 PHE PHE A . n A 1 62 ARG 62 89 89 ARG ARG A . n A 1 63 SER 63 90 90 SER SER A . n A 1 64 GLY 64 91 91 GLY GLY A . n A 1 65 VAL 65 92 92 VAL VAL A . n A 1 66 PRO 66 93 93 PRO PRO A . n A 1 67 PRO 67 94 94 PRO PRO A . n A 1 68 LYS 68 95 95 LYS LYS A . n A 1 69 VAL 69 96 96 VAL VAL A . n A 1 70 VAL 70 97 97 VAL VAL A . n A 1 71 ASN 71 98 98 ASN ASN A . n A 1 72 TYR 72 99 99 TYR TYR A . n A 1 73 GLU 73 100 100 GLU GLU A . n A 1 74 ALA 74 101 101 ALA ALA A . n A 1 75 GLY 75 102 102 GLY GLY A . n A 1 76 GLU 76 103 103 GLU GLU A . n A 1 77 TRP 77 104 104 TRP TRP A . n A 1 78 ALA 78 105 105 ALA ALA A . n A 1 79 GLU 79 106 106 GLU GLU A . n A 1 80 ASN 80 107 107 ASN ASN A . n A 1 81 CYS 81 108 108 CYS CYS A . n A 1 82 TYR 82 109 109 TYR TYR A . n A 1 83 ASN 83 110 110 ASN ASN A . n A 1 84 LEU 84 111 111 LEU LEU A . n A 1 85 GLU 85 112 112 GLU GLU A . n A 1 86 ILE 86 113 113 ILE ILE A . n A 1 87 LYS 87 114 114 LYS LYS A . n A 1 88 LYS 88 115 115 LYS LYS A . n A 1 89 PRO 89 116 116 PRO PRO A . n A 1 90 ASP 90 117 117 ASP ASP A . n A 1 91 GLY 91 118 118 GLY GLY A . n A 1 92 SER 92 119 119 SER SER A . n A 1 93 GLU 93 120 120 GLU GLU A . n A 1 94 CYS 94 121 121 CYS CYS A . n A 1 95 LEU 95 122 122 LEU LEU A . n A 1 96 PRO 96 123 123 PRO PRO A . n A 1 97 ALA 97 124 124 ALA ALA A . n A 1 98 ALA 98 125 125 ALA ALA A . n A 1 99 PRO 99 126 126 PRO PRO A . n A 1 100 ASP 100 127 127 ASP ASP A . n A 1 101 GLY 101 128 128 GLY GLY A . n A 1 102 ILE 102 129 129 ILE ILE A . n A 1 103 ARG 103 130 130 ARG ARG A . n A 1 104 GLY 104 131 131 GLY GLY A . n A 1 105 PHE 105 132 132 PHE PHE A . n A 1 106 PRO 106 133 133 PRO PRO A . n A 1 107 ARG 107 134 134 ARG ARG A . n A 1 108 CYS 108 135 135 CYS CYS A . n A 1 109 ARG 109 136 136 ARG ARG A . n A 1 110 TYR 110 137 137 TYR TYR A . n A 1 111 VAL 111 138 138 VAL VAL A . n A 1 112 HIS 112 139 139 HIS HIS A . n A 1 113 LYS 113 140 140 LYS LYS A . n A 1 114 VAL 114 141 141 VAL VAL A . n A 1 115 SER 115 142 142 SER SER A . n A 1 116 GLY 116 143 143 GLY GLY A . n A 1 117 THR 117 144 144 THR THR A . n A 1 118 GLY 118 145 145 GLY GLY A . n A 1 119 PRO 119 146 146 PRO PRO A . n A 1 120 CYS 120 147 147 CYS CYS A . n A 1 121 ALA 121 148 148 ALA ALA A . n A 1 122 GLY 122 149 149 GLY GLY A . n A 1 123 ASP 123 150 150 ASP ASP A . n A 1 124 PHE 124 151 151 PHE PHE A . n A 1 125 ALA 125 152 152 ALA ALA A . n A 1 126 PHE 126 153 153 PHE PHE A . n A 1 127 HIS 127 154 154 HIS HIS A . n A 1 128 LYS 128 155 155 LYS LYS A . n A 1 129 GLU 129 156 156 GLU GLU A . n A 1 130 GLY 130 157 157 GLY GLY A . n A 1 131 ALA 131 158 158 ALA ALA A . n A 1 132 PHE 132 159 159 PHE PHE A . n A 1 133 PHE 133 160 160 PHE PHE A . n A 1 134 LEU 134 161 161 LEU LEU A . n A 1 135 TYR 135 162 162 TYR TYR A . n A 1 136 ASP 136 163 163 ASP ASP A . n A 1 137 ARG 137 164 164 ARG ARG A . n A 1 138 LEU 138 165 165 LEU LEU A . n A 1 139 ALA 139 166 166 ALA ALA A . n A 1 140 SER 140 167 167 SER SER A . n A 1 141 THR 141 168 168 THR THR A . n A 1 142 VAL 142 169 169 VAL VAL A . n A 1 143 ILE 143 170 170 ILE ILE A . n A 1 144 TYR 144 171 171 TYR TYR A . n A 1 145 ARG 145 172 172 ARG ARG A . n A 1 146 GLY 146 173 173 GLY GLY A . n A 1 147 THR 147 174 174 THR THR A . n A 1 148 THR 148 175 175 THR THR A . n A 1 149 PHE 149 176 176 PHE PHE A . n A 1 150 ALA 150 177 177 ALA ALA A . n A 1 151 GLU 151 178 178 GLU GLU A . n A 1 152 GLY 152 179 179 GLY GLY A . n A 1 153 VAL 153 180 180 VAL VAL A . n A 1 154 VAL 154 181 181 VAL VAL A . n A 1 155 ALA 155 182 182 ALA ALA A . n A 1 156 PHE 156 183 183 PHE PHE A . n A 1 157 LEU 157 184 184 LEU LEU A . n A 1 158 ILE 158 185 185 ILE ILE A . n A 1 159 LEU 159 186 186 LEU LEU A . n A 1 160 PRO 160 187 187 PRO PRO A . n A 1 161 GLN 161 188 188 GLN GLN A . n A 1 162 ALA 162 189 189 ALA ALA A . n A 1 163 LYS 163 190 190 LYS LYS A . n A 1 164 LYS 164 191 191 LYS LYS A . n A 1 165 ASP 165 192 ? ? ? A . n A 1 166 PHE 166 193 ? ? ? A . n A 1 167 PHE 167 194 ? ? ? A . n A 1 168 SER 168 195 ? ? ? A . n A 1 169 SER 169 196 ? ? ? A . n A 1 170 HIS 170 197 ? ? ? A . n A 1 171 PRO 171 198 ? ? ? A . n A 1 172 LEU 172 199 ? ? ? A . n A 1 173 ARG 173 200 ? ? ? A . n A 1 174 GLU 174 201 ? ? ? A . n A 1 175 PRO 175 202 ? ? ? A . n A 1 176 VAL 176 203 ? ? ? A . n A 1 177 ASN 177 204 ? ? ? A . n A 1 178 ALA 178 205 ? ? ? A . n A 1 179 THR 179 206 ? ? ? A . n A 1 180 GLU 180 207 ? ? ? A . n A 1 181 ASP 181 208 ? ? ? A . n A 1 182 PRO 182 209 ? ? ? A . n A 1 183 SER 183 210 ? ? ? A . n A 1 184 SER 184 211 211 SER SER A . n A 1 185 GLY 185 212 212 GLY GLY A . n A 1 186 TYR 186 213 213 TYR TYR A . n A 1 187 TYR 187 214 214 TYR TYR A . n A 1 188 SER 188 215 215 SER SER A . n A 1 189 THR 189 216 216 THR THR A . n A 1 190 THR 190 217 217 THR THR A . n A 1 191 ILE 191 218 218 ILE ILE A . n A 1 192 ARG 192 219 219 ARG ARG A . n A 1 193 TYR 193 220 220 TYR TYR A . n A 1 194 GLN 194 221 221 GLN GLN A . n A 1 195 ALA 195 222 222 ALA ALA A . n A 1 196 THR 196 223 223 THR THR A . n A 1 197 GLY 197 224 224 GLY GLY A . n A 1 198 PHE 198 225 225 PHE PHE A . n A 1 199 GLY 199 226 226 GLY GLY A . n A 1 200 THR 200 227 227 THR THR A . n A 1 201 ASN 201 228 228 ASN ASN A . n A 1 202 GLU 202 229 229 GLU GLU A . n A 1 203 THR 203 230 230 THR THR A . n A 1 204 GLU 204 231 231 GLU GLU A . n A 1 205 TYR 205 232 232 TYR TYR A . n A 1 206 LEU 206 233 233 LEU LEU A . n A 1 207 PHE 207 234 234 PHE PHE A . n A 1 208 GLU 208 235 235 GLU GLU A . n A 1 209 VAL 209 236 236 VAL VAL A . n A 1 210 ASP 210 237 237 ASP ASP A . n A 1 211 ASN 211 238 238 ASN ASN A . n A 1 212 LEU 212 239 239 LEU LEU A . n A 1 213 THR 213 240 240 THR THR A . n A 1 214 TYR 214 241 241 TYR TYR A . n A 1 215 VAL 215 242 242 VAL VAL A . n A 1 216 GLN 216 243 243 GLN GLN A . n A 1 217 LEU 217 244 244 LEU LEU A . n A 1 218 GLU 218 245 245 GLU GLU A . n A 1 219 SER 219 246 246 SER SER A . n A 1 220 ARG 220 247 247 ARG ARG A . n A 1 221 PHE 221 248 248 PHE PHE A . n A 1 222 THR 222 249 249 THR THR A . n A 1 223 PRO 223 250 250 PRO PRO A . n A 1 224 GLN 224 251 251 GLN GLN A . n A 1 225 PHE 225 252 252 PHE PHE A . n A 1 226 LEU 226 253 253 LEU LEU A . n A 1 227 LEU 227 254 254 LEU LEU A . n A 1 228 GLN 228 255 255 GLN GLN A . n A 1 229 LEU 229 256 256 LEU LEU A . n A 1 230 ASN 230 257 257 ASN ASN A . n A 1 231 GLU 231 258 258 GLU GLU A . n A 1 232 THR 232 259 259 THR THR A . n A 1 233 ILE 233 260 260 ILE ILE A . n A 1 234 TYR 234 261 261 TYR TYR A . n A 1 235 THR 235 262 262 THR THR A . n A 1 236 SER 236 263 263 SER SER A . n A 1 237 GLY 237 264 264 GLY GLY A . n A 1 238 LYS 238 265 265 LYS LYS A . n A 1 239 ARG 239 266 266 ARG ARG A . n A 1 240 SER 240 267 267 SER SER A . n A 1 241 ASN 241 268 268 ASN ASN A . n A 1 242 THR 242 269 269 THR THR A . n A 1 243 THR 243 270 270 THR THR A . n A 1 244 GLY 244 271 271 GLY GLY A . n A 1 245 LYS 245 272 272 LYS LYS A . n A 1 246 LEU 246 273 273 LEU LEU A . n A 1 247 ILE 247 274 274 ILE ILE A . n A 1 248 TRP 248 275 275 TRP TRP A . n A 1 249 LYS 249 276 276 LYS LYS A . n A 1 250 VAL 250 277 277 VAL VAL A . n A 1 251 ASN 251 278 278 ASN ASN A . n A 1 252 PRO 252 279 279 PRO PRO A . n A 1 253 GLU 253 280 280 GLU GLU A . n A 1 254 ILE 254 281 281 ILE ILE A . n A 1 255 ASP 255 282 282 ASP ASP A . n A 1 256 THR 256 283 283 THR THR A . n A 1 257 THR 257 284 284 THR THR A . n A 1 258 ILE 258 285 ? ? ? A . n A 1 259 GLY 259 286 ? ? ? A . n A 1 260 GLU 260 287 ? ? ? A . n A 1 261 TRP 261 288 288 TRP TRP A . n A 1 262 ALA 262 289 289 ALA ALA A . n A 1 263 PHE 263 290 290 PHE PHE A . n A 1 264 TRP 264 291 291 TRP TRP A . n A 1 265 GLU 265 292 292 GLU GLU A . n A 1 266 THR 266 292 ? ? ? A A n A 1 267 LYS 267 292 ? ? ? A B n A 1 268 LYS 268 292 ? ? ? A C n A 1 269 ASN 269 292 ? ? ? A D n A 1 270 LEU 270 292 ? ? ? A E n A 1 271 THR 271 292 ? ? ? A F n A 1 272 ARG 272 292 ? ? ? A G n A 1 273 LYS 273 292 ? ? ? A H n A 1 274 ILE 274 292 ? ? ? A I n A 1 275 ARG 275 292 ? ? ? A J n A 1 276 SER 276 302 302 SER SER A . n A 1 277 GLU 277 303 303 GLU GLU A . n A 1 278 GLU 278 304 304 GLU GLU A . n A 1 279 LEU 279 305 305 LEU LEU A . n A 1 280 SER 280 306 306 SER SER A . n A 1 281 PHE 281 307 307 PHE PHE A . n A 1 282 THR 282 308 308 THR THR A . n A 1 283 VAL 283 309 309 VAL VAL A . n A 1 284 VAL 284 310 310 VAL VAL A . n A 1 285 SER 285 470 ? ? ? A . n A 1 286 UNK 286 471 471 UNK UNK A . n A 1 287 UNK 287 472 472 UNK UNK A . n A 1 288 UNK 288 473 473 UNK UNK A . n A 1 289 UNK 289 474 474 UNK UNK A . n A 1 290 UNK 290 475 475 UNK UNK A . n A 1 291 UNK 291 476 476 UNK UNK A . n A 1 292 UNK 292 477 477 UNK UNK A . n A 1 293 UNK 293 478 478 UNK UNK A . n A 1 294 THR 294 479 ? ? ? A . n A 1 295 HIS 295 480 ? ? ? A . n A 1 296 HIS 296 481 ? ? ? A . n A 1 297 GLN 297 482 ? ? ? A . n A 1 298 ASP 298 483 ? ? ? A . n A 1 299 THR 299 484 ? ? ? A . n A 1 300 GLY 300 485 ? ? ? A . n A 1 301 GLU 301 486 ? ? ? A . n A 1 302 GLU 302 487 ? ? ? A . n A 1 303 SER 303 488 ? ? ? A . n A 1 304 ALA 304 489 ? ? ? A . n A 1 305 SER 305 490 ? ? ? A . n A 1 306 SER 306 491 ? ? ? A . n A 1 307 GLY 307 492 ? ? ? A . n A 1 308 LYS 308 493 ? ? ? A . n A 1 309 LEU 309 494 ? ? ? A . n A 1 310 GLY 310 495 ? ? ? A . n A 1 311 LEU 311 496 ? ? ? A . n A 1 312 ILE 312 497 ? ? ? A . n A 1 313 THR 313 498 ? ? ? A . n A 1 314 ASN 314 499 ? ? ? A . n A 1 315 THR 315 500 ? ? ? A . n A 1 316 ILE 316 501 ? ? ? A . n A 1 317 ALA 317 502 ? ? ? A . n A 1 318 GLY 318 503 ? ? ? A . n A 1 319 VAL 319 504 ? ? ? A . n A 1 320 ALA 320 505 ? ? ? A . n A 1 321 GLY 321 506 ? ? ? A . n A 1 322 LEU 322 507 ? ? ? A . n A 1 323 ILE 323 508 ? ? ? A . n A 1 324 THR 324 509 ? ? ? A . n A 1 325 GLY 325 510 ? ? ? A . n A 1 326 GLY 326 511 ? ? ? A . n A 1 327 ARG 327 512 ? ? ? A . n A 1 328 ARG 328 513 ? ? ? A . n A 1 329 THR 329 514 ? ? ? A . n A 1 330 ARG 330 515 ? ? ? A . n A 1 331 ARG 331 516 ? ? ? A . n B 2 1 GLU 1 502 502 GLU GLU B . n B 2 2 ALA 2 503 503 ALA ALA B . n B 2 3 ILE 3 504 504 ILE ILE B . n B 2 4 VAL 4 505 505 VAL VAL B . n B 2 5 ASN 5 506 506 ASN ASN B . n B 2 6 ALA 6 507 507 ALA ALA B . n B 2 7 GLN 7 508 508 GLN GLN B . n B 2 8 PRO 8 509 509 PRO PRO B . n B 2 9 LYS 9 510 510 LYS LYS B . n B 2 10 CYS 10 511 511 CYS CYS B . n B 2 11 ASN 11 512 512 ASN ASN B . n B 2 12 PRO 12 513 513 PRO PRO B . n B 2 13 ASN 13 514 514 ASN ASN B . n B 2 14 LEU 14 515 515 LEU LEU B . n B 2 15 HIS 15 516 516 HIS HIS B . n B 2 16 TYR 16 517 517 TYR TYR B . n B 2 17 TRP 17 518 518 TRP TRP B . n B 2 18 THR 18 519 519 THR THR B . n B 2 19 THR 19 520 520 THR THR B . n B 2 20 GLN 20 521 521 GLN GLN B . n B 2 21 ASP 21 522 522 ASP ASP B . n B 2 22 GLU 22 523 523 GLU GLU B . n B 2 23 GLY 23 524 524 GLY GLY B . n B 2 24 ALA 24 525 525 ALA ALA B . n B 2 25 ALA 25 526 526 ALA ALA B . n B 2 26 ILE 26 527 527 ILE ILE B . n B 2 27 GLY 27 528 528 GLY GLY B . n B 2 28 LEU 28 529 529 LEU LEU B . n B 2 29 ALA 29 530 530 ALA ALA B . n B 2 30 TRP 30 531 531 TRP TRP B . n B 2 31 ILE 31 532 532 ILE ILE B . n B 2 32 PRO 32 533 533 PRO PRO B . n B 2 33 TYR 33 534 534 TYR TYR B . n B 2 34 PHE 34 535 535 PHE PHE B . n B 2 35 GLY 35 536 536 GLY GLY B . n B 2 36 PRO 36 537 537 PRO PRO B . n B 2 37 ALA 37 538 538 ALA ALA B . n B 2 38 ALA 38 539 539 ALA ALA B . n B 2 39 GLU 39 540 540 GLU GLU B . n B 2 40 GLY 40 541 541 GLY GLY B . n B 2 41 ILE 41 542 542 ILE ILE B . n B 2 42 TYR 42 543 543 TYR TYR B . n B 2 43 ILE 43 544 544 ILE ILE B . n B 2 44 GLU 44 545 545 GLU GLU B . n B 2 45 GLY 45 546 546 GLY GLY B . n B 2 46 LEU 46 547 547 LEU LEU B . n B 2 47 MET 47 548 548 MET MET B . n B 2 48 HIS 48 549 549 HIS HIS B . n B 2 49 ASN 49 550 550 ASN ASN B . n B 2 50 GLN 50 551 551 GLN GLN B . n B 2 51 ASP 51 552 552 ASP ASP B . n B 2 52 GLY 52 553 553 GLY GLY B . n B 2 53 LEU 53 554 554 LEU LEU B . n B 2 54 ILE 54 555 555 ILE ILE B . n B 2 55 CYS 55 556 556 CYS CYS B . n B 2 56 GLY 56 557 557 GLY GLY B . n B 2 57 LEU 57 558 558 LEU LEU B . n B 2 58 ARG 58 559 559 ARG ARG B . n B 2 59 GLN 59 560 560 GLN GLN B . n B 2 60 LEU 60 561 561 LEU LEU B . n B 2 61 ALA 61 562 562 ALA ALA B . n B 2 62 ASN 62 563 563 ASN ASN B . n B 2 63 GLU 63 564 564 GLU GLU B . n B 2 64 THR 64 565 565 THR THR B . n B 2 65 THR 65 566 566 THR THR B . n B 2 66 GLN 66 567 567 GLN GLN B . n B 2 67 ALA 67 568 568 ALA ALA B . n B 2 68 LEU 68 569 569 LEU LEU B . n B 2 69 GLN 69 570 570 GLN GLN B . n B 2 70 LEU 70 571 571 LEU LEU B . n B 2 71 PHE 71 572 572 PHE PHE B . n B 2 72 LEU 72 573 573 LEU LEU B . n B 2 73 ARG 73 574 574 ARG ARG B . n B 2 74 ALA 74 575 575 ALA ALA B . n B 2 75 THR 75 576 576 THR THR B . n B 2 76 THR 76 577 577 THR THR B . n B 2 77 GLU 77 578 578 GLU GLU B . n B 2 78 LEU 78 579 579 LEU LEU B . n B 2 79 ARG 79 580 580 ARG ARG B . n B 2 80 THR 80 581 581 THR THR B . n B 2 81 PHE 81 582 582 PHE PHE B . n B 2 82 SER 82 583 583 SER SER B . n B 2 83 ILE 83 584 584 ILE ILE B . n B 2 84 LEU 84 585 585 LEU LEU B . n B 2 85 ASN 85 586 586 ASN ASN B . n B 2 86 ARG 86 587 587 ARG ARG B . n B 2 87 LYS 87 588 588 LYS LYS B . n B 2 88 ALA 88 589 589 ALA ALA B . n B 2 89 ILE 89 590 590 ILE ILE B . n B 2 90 ASP 90 591 591 ASP ASP B . n B 2 91 PHE 91 592 592 PHE PHE B . n B 2 92 LEU 92 593 593 LEU LEU B . n B 2 93 LEU 93 594 594 LEU LEU B . n B 2 94 GLN 94 595 595 GLN GLN B . n B 2 95 ARG 95 596 596 ARG ARG B . n B 2 96 TRP 96 597 597 TRP TRP B . n B 2 97 GLY 97 598 598 GLY GLY B . n B 2 98 GLY 98 599 599 GLY GLY B . n B 2 99 THR 99 600 600 THR THR B . n B 2 100 CYS 100 601 601 CYS CYS B . n B 2 101 HIS 101 602 602 HIS HIS B . n B 2 102 ILE 102 603 603 ILE ILE B . n B 2 103 LEU 103 604 604 LEU LEU B . n B 2 104 GLY 104 605 605 GLY GLY B . n B 2 105 PRO 105 606 606 PRO PRO B . n B 2 106 ASP 106 607 607 ASP ASP B . n B 2 107 CYS 107 608 608 CYS CYS B . n B 2 108 CYS 108 609 609 CYS CYS B . n B 2 109 ILE 109 610 610 ILE ILE B . n B 2 110 GLU 110 611 611 GLU GLU B . n B 2 111 PRO 111 612 612 PRO PRO B . n B 2 112 ALA 112 613 613 ALA ALA B . n B 2 113 ASP 113 614 614 ASP ASP B . n B 2 114 TRP 114 615 615 TRP TRP B . n B 2 115 THR 115 616 616 THR THR B . n B 2 116 LYS 116 617 617 LYS LYS B . n B 2 117 ASN 117 618 618 ASN ASN B . n B 2 118 ILE 118 619 619 ILE ILE B . n B 2 119 THR 119 620 620 THR THR B . n B 2 120 ASP 120 621 621 ASP ASP B . n B 2 121 LYS 121 622 622 LYS LYS B . n B 2 122 ILE 122 623 623 ILE ILE B . n B 2 123 ASP 123 624 624 ASP ASP B . n B 2 124 GLN 124 625 625 GLN GLN B . n B 2 125 ILE 125 626 626 ILE ILE B . n B 2 126 ILE 126 627 627 ILE ILE B . n B 2 127 HIS 127 628 628 HIS HIS B . n B 2 128 ASP 128 629 629 ASP ASP B . n B 2 129 PHE 129 630 630 PHE PHE B . n B 2 130 VAL 130 631 631 VAL VAL B . n B 2 131 ASP 131 632 ? ? ? B . n B 2 132 GLY 132 633 ? ? ? B . n B 2 133 SER 133 634 ? ? ? B . n B 2 134 GLY 134 635 ? ? ? B . n B 2 135 TYR 135 636 ? ? ? B . n B 2 136 ILE 136 637 ? ? ? B . n B 2 137 PRO 137 638 ? ? ? B . n B 2 138 GLU 138 639 ? ? ? B . n B 2 139 ALA 139 640 ? ? ? B . n B 2 140 PRO 140 641 ? ? ? B . n B 2 141 ARG 141 642 ? ? ? B . n B 2 142 ASP 142 643 ? ? ? B . n B 2 143 GLY 143 644 ? ? ? B . n B 2 144 GLN 144 645 ? ? ? B . n B 2 145 ALA 145 646 ? ? ? B . n B 2 146 TYR 146 647 ? ? ? B . n B 2 147 VAL 147 648 ? ? ? B . n B 2 148 ARG 148 649 ? ? ? B . n B 2 149 LYS 149 650 ? ? ? B . n B 2 150 ASP 150 651 ? ? ? B . n B 2 151 GLY 151 652 ? ? ? B . n B 2 152 GLU 152 653 ? ? ? B . n B 2 153 TRP 153 654 ? ? ? B . n B 2 154 VAL 154 655 ? ? ? B . n B 2 155 LEU 155 656 ? ? ? B . n B 2 156 LEU 156 657 ? ? ? B . n B 2 157 SER 157 658 ? ? ? B . n B 2 158 THR 158 659 ? ? ? B . n B 2 159 PHE 159 660 ? ? ? B . n B 2 160 LEU 160 661 ? ? ? B . n B 2 161 GLY 161 662 ? ? ? B . n B 2 162 THR 162 663 ? ? ? B . n B 2 163 HIS 163 664 ? ? ? B . n B 2 164 HIS 164 665 ? ? ? B . n B 2 165 HIS 165 666 ? ? ? B . n B 2 166 HIS 166 667 ? ? ? B . n B 2 167 HIS 167 668 ? ? ? B . n B 2 168 HIS 168 669 ? ? ? B . n # loop_ _pdbx_branch_scheme.asym_id _pdbx_branch_scheme.entity_id _pdbx_branch_scheme.mon_id _pdbx_branch_scheme.num _pdbx_branch_scheme.pdb_asym_id _pdbx_branch_scheme.pdb_mon_id _pdbx_branch_scheme.pdb_seq_num _pdbx_branch_scheme.auth_asym_id _pdbx_branch_scheme.auth_mon_id _pdbx_branch_scheme.auth_seq_num _pdbx_branch_scheme.hetero C 3 NAG 1 C NAG 1 D NAG 621 n C 3 NAG 2 C NAG 2 D NAG 632 n C 3 BMA 3 C BMA 3 D BMA 633 n C 3 MAN 4 C MAN 4 D MAN 635 n C 3 MAN 5 C MAN 5 D MAN 634 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 D 4 NAG 1 601 2 NAG NAG A . E 4 NAG 1 602 11 NAG NAG A . F 4 NAG 1 603 14 NAG NAG A . G 4 NAG 1 604 15 NAG NAG A . H 5 GOL 1 605 2 GOL GOL A . I 5 GOL 1 606 4 GOL GOL A . J 6 GKZ 1 607 2 GKZ LIG A . K 7 DMS 1 608 1 DMS DMS A . L 4 NAG 1 701 13 NAG NAG B . M 5 GOL 1 702 3 GOL GOL B . N 5 GOL 1 703 5 GOL GOL B . O 6 GKZ 1 709 1 GKZ LIG B . P 8 HOH 1 701 161 HOH HOH A . P 8 HOH 2 702 62 HOH HOH A . P 8 HOH 3 703 136 HOH HOH A . P 8 HOH 4 704 51 HOH HOH A . P 8 HOH 5 705 41 HOH HOH A . P 8 HOH 6 706 38 HOH HOH A . P 8 HOH 7 707 144 HOH HOH A . P 8 HOH 8 708 4 HOH HOH A . P 8 HOH 9 709 50 HOH HOH A . P 8 HOH 10 710 6 HOH HOH A . P 8 HOH 11 711 73 HOH HOH A . P 8 HOH 12 712 20 HOH HOH A . P 8 HOH 13 713 77 HOH HOH A . P 8 HOH 14 714 102 HOH HOH A . P 8 HOH 15 715 76 HOH HOH A . P 8 HOH 16 716 8 HOH HOH A . P 8 HOH 17 717 12 HOH HOH A . P 8 HOH 18 718 134 HOH HOH A . P 8 HOH 19 719 10 HOH HOH A . P 8 HOH 20 720 46 HOH HOH A . P 8 HOH 21 721 44 HOH HOH A . P 8 HOH 22 722 1 HOH HOH A . P 8 HOH 23 723 18 HOH HOH A . P 8 HOH 24 724 88 HOH HOH A . P 8 HOH 25 725 7 HOH HOH A . P 8 HOH 26 726 11 HOH HOH A . P 8 HOH 27 727 100 HOH HOH A . P 8 HOH 28 728 143 HOH HOH A . P 8 HOH 29 729 25 HOH HOH A . P 8 HOH 30 730 48 HOH HOH A . P 8 HOH 31 731 172 HOH HOH A . P 8 HOH 32 732 183 HOH HOH A . P 8 HOH 33 733 5 HOH HOH A . P 8 HOH 34 734 115 HOH HOH A . P 8 HOH 35 735 9 HOH HOH A . P 8 HOH 36 736 17 HOH HOH A . P 8 HOH 37 737 97 HOH HOH A . P 8 HOH 38 738 31 HOH HOH A . P 8 HOH 39 739 135 HOH HOH A . P 8 HOH 40 740 151 HOH HOH A . P 8 HOH 41 741 120 HOH HOH A . P 8 HOH 42 742 30 HOH HOH A . P 8 HOH 43 743 14 HOH HOH A . P 8 HOH 44 744 69 HOH HOH A . P 8 HOH 45 745 119 HOH HOH A . P 8 HOH 46 746 152 HOH HOH A . P 8 HOH 47 747 37 HOH HOH A . P 8 HOH 48 748 21 HOH HOH A . P 8 HOH 49 749 179 HOH HOH A . P 8 HOH 50 750 84 HOH HOH A . P 8 HOH 51 751 68 HOH HOH A . P 8 HOH 52 752 58 HOH HOH A . P 8 HOH 53 753 56 HOH HOH A . P 8 HOH 54 754 114 HOH HOH A . P 8 HOH 55 755 180 HOH HOH A . P 8 HOH 56 756 186 HOH HOH A . P 8 HOH 57 757 159 HOH HOH A . P 8 HOH 58 758 34 HOH HOH A . P 8 HOH 59 759 33 HOH HOH A . P 8 HOH 60 760 173 HOH HOH A . P 8 HOH 61 761 15 HOH HOH A . P 8 HOH 62 762 2 HOH HOH A . P 8 HOH 63 763 22 HOH HOH A . P 8 HOH 64 764 98 HOH HOH A . P 8 HOH 65 765 113 HOH HOH A . P 8 HOH 66 766 149 HOH HOH A . P 8 HOH 67 767 122 HOH HOH A . P 8 HOH 68 768 72 HOH HOH A . P 8 HOH 69 769 83 HOH HOH A . P 8 HOH 70 770 169 HOH HOH A . P 8 HOH 71 771 23 HOH HOH A . P 8 HOH 72 772 178 HOH HOH A . P 8 HOH 73 773 184 HOH HOH A . P 8 HOH 74 774 192 HOH HOH A . P 8 HOH 75 775 156 HOH HOH A . P 8 HOH 76 776 187 HOH HOH A . P 8 HOH 77 777 188 HOH HOH A . P 8 HOH 78 778 189 HOH HOH A . P 8 HOH 79 779 154 HOH HOH A . P 8 HOH 80 780 42 HOH HOH A . P 8 HOH 81 781 146 HOH HOH A . P 8 HOH 82 782 123 HOH HOH A . P 8 HOH 83 783 28 HOH HOH A . P 8 HOH 84 784 111 HOH HOH A . Q 8 HOH 1 801 142 HOH HOH B . Q 8 HOH 2 802 174 HOH HOH B . Q 8 HOH 3 803 191 HOH HOH B . Q 8 HOH 4 804 139 HOH HOH B . Q 8 HOH 5 805 16 HOH HOH B . Q 8 HOH 6 806 19 HOH HOH B . Q 8 HOH 7 807 141 HOH HOH B . Q 8 HOH 8 808 71 HOH HOH B . Q 8 HOH 9 809 52 HOH HOH B . Q 8 HOH 10 810 55 HOH HOH B . Q 8 HOH 11 811 165 HOH HOH B . Q 8 HOH 12 812 96 HOH HOH B . Q 8 HOH 13 813 63 HOH HOH B . Q 8 HOH 14 814 67 HOH HOH B . Q 8 HOH 15 815 24 HOH HOH B . Q 8 HOH 16 816 3 HOH HOH B . Q 8 HOH 17 817 29 HOH HOH B . Q 8 HOH 18 818 40 HOH HOH B . Q 8 HOH 19 819 155 HOH HOH B . Q 8 HOH 20 820 59 HOH HOH B . Q 8 HOH 21 821 108 HOH HOH B . Q 8 HOH 22 822 87 HOH HOH B . Q 8 HOH 23 823 64 HOH HOH B . Q 8 HOH 24 824 49 HOH HOH B . Q 8 HOH 25 825 47 HOH HOH B . Q 8 HOH 26 826 13 HOH HOH B . Q 8 HOH 27 827 26 HOH HOH B . Q 8 HOH 28 828 65 HOH HOH B . Q 8 HOH 29 829 138 HOH HOH B . Q 8 HOH 30 830 57 HOH HOH B . Q 8 HOH 31 831 110 HOH HOH B . Q 8 HOH 32 832 101 HOH HOH B . Q 8 HOH 33 833 81 HOH HOH B . Q 8 HOH 34 834 36 HOH HOH B . Q 8 HOH 35 835 35 HOH HOH B . Q 8 HOH 36 836 145 HOH HOH B . Q 8 HOH 37 837 27 HOH HOH B . Q 8 HOH 38 838 99 HOH HOH B . Q 8 HOH 39 839 163 HOH HOH B . Q 8 HOH 40 840 166 HOH HOH B . Q 8 HOH 41 841 193 HOH HOH B . Q 8 HOH 42 842 66 HOH HOH B . Q 8 HOH 43 843 167 HOH HOH B . Q 8 HOH 44 844 60 HOH HOH B . Q 8 HOH 45 845 125 HOH HOH B . Q 8 HOH 46 846 105 HOH HOH B . Q 8 HOH 47 847 194 HOH HOH B . Q 8 HOH 48 848 164 HOH HOH B . Q 8 HOH 49 849 175 HOH HOH B . Q 8 HOH 50 850 140 HOH HOH B . Q 8 HOH 51 851 45 HOH HOH B . Q 8 HOH 52 852 190 HOH HOH B . Q 8 HOH 53 853 43 HOH HOH B . Q 8 HOH 54 854 168 HOH HOH B . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 190 ? CG ? A LYS 163 CG 2 1 Y 1 A LYS 190 ? CD ? A LYS 163 CD 3 1 Y 1 A LYS 190 ? CE ? A LYS 163 CE 4 1 Y 1 A LYS 190 ? NZ ? A LYS 163 NZ 5 1 Y 1 A LYS 191 ? CG ? A LYS 164 CG 6 1 Y 1 A LYS 191 ? CD ? A LYS 164 CD 7 1 Y 1 A LYS 191 ? CE ? A LYS 164 CE 8 1 Y 1 A LYS 191 ? NZ ? A LYS 164 NZ # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.14_3260: ???)' 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? xia2 ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? . 4 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 120.00 _cell.angle_gamma_esd ? _cell.entry_id 6HRO _cell.details ? _cell.formula_units_Z ? _cell.length_a 115.120 _cell.length_a_esd ? _cell.length_b 115.120 _cell.length_b_esd ? _cell.length_c 308.860 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 18 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 6HRO _symmetry.cell_setting ? _symmetry.Int_Tables_number 155 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'H 3 2' _symmetry.pdbx_full_space_group_name_H-M ? # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 6HRO _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.56 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 65.45 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 5.2 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details 'CRYSTALLIZATION CONDITIONS: 9% (W/V) PEG 6000 AND 0.1 M SODIUM CITRATE TRIBASIC DIHYDRATE' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? _diffrn.pdbx_serial_crystal_experiment ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 6M-F' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2017-01-29 _diffrn_detector.pdbx_frequency ? # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9282 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'DIAMOND BEAMLINE I04' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.9282 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline I04 _diffrn_source.pdbx_synchrotron_site Diamond # _reflns.B_iso_Wilson_estimate 65.2 _reflns.entry_id 6HRO _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.3 _reflns.d_resolution_low 83.76 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 35437 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 100 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 91.0 _reflns.pdbx_Rmerge_I_obs 0.098 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 36.5 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half 1.000 _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.30 _reflns_shell.d_res_low 2.34 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 1.4 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 99.9 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs ? _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 16.8 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half 0.751 _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean ? _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 6HRO _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.300 _refine.ls_d_res_low 83.759 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 35410 _refine.ls_number_reflns_R_free 1696 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.91 _refine.ls_percent_reflns_R_free 4.79 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1818 _refine.ls_R_factor_R_free 0.2120 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1801 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.34 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct ? _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 25.49 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.25 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3022 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 223 _refine_hist.number_atoms_solvent 138 _refine_hist.number_atoms_total 3383 _refine_hist.d_res_high 2.300 _refine_hist.d_res_low 83.759 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.003 ? 3340 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 0.634 ? 4558 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 21.276 ? 1929 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.044 ? 521 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.005 ? 566 ? f_plane_restr ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 2.3000 2.3677 . . 121 2780 100.00 . . . 0.2852 . 0.2754 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.3677 2.4441 . . 136 2761 100.00 . . . 0.2940 . 0.2520 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.4441 2.5315 . . 139 2775 100.00 . . . 0.3007 . 0.2374 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.5315 2.6328 . . 120 2814 100.00 . . . 0.2664 . 0.2219 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.6328 2.7527 . . 136 2778 100.00 . . . 0.2705 . 0.2131 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.7527 2.8978 . . 127 2799 100.00 . . . 0.2818 . 0.2123 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.8978 3.0794 . . 136 2794 100.00 . . . 0.2456 . 0.2027 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.0794 3.3171 . . 154 2806 100.00 . . . 0.2355 . 0.1939 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.3171 3.6510 . . 143 2790 100.00 . . . 0.2029 . 0.1735 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.6510 4.1793 . . 150 2832 100.00 . . . 0.1878 . 0.1561 . . . . . . . . . . 'X-RAY DIFFRACTION' 4.1793 5.2653 . . 187 2815 100.00 . . . 0.1643 . 0.1450 . . . . . . . . . . 'X-RAY DIFFRACTION' 5.2653 83.8145 . . 147 2970 100.00 . . . 0.2316 . 0.1903 . . . . . . . . . . # _struct.entry_id 6HRO _struct.title 'Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118a' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 6HRO _struct_keywords.text 'Ebola Glycoprotein, Structure-based In Silico Screening, 118a, Natural compound, 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 4 ? E N N 4 ? F N N 4 ? G N N 4 ? H N N 5 ? I N N 5 ? J N N 6 ? K N N 7 ? L N N 4 ? M N N 5 ? N N N 5 ? O N N 6 ? P N N 8 ? Q N N 8 ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP VGP_EBOZM Q05320 ? 1 ;SIPLGVIHNSTLQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWGFRSGVPPKVVNYEAGEWAENCYNL EIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILPQAKK DFFSSHPLREPVNATEDPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRSNTTG KLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVS ; 32 2 UNP VGP_EBOZM Q05320 ? 1 THHQDTGEESASSGKLGLITNTIAGVAGLITGGRRTRR 464 3 UNP VGP_EBOZM Q05320 ? 2 ;EAIVNAQPKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQLANETTQALQLFLRATTELRT FSILNRKAIDFLLQRWGGTCHILGPDCCIEPHDWTKNITDKIDQIIHDFVD ; 502 # 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 6HRO A 5 ? 285 ? Q05320 32 ? 312 ? 32 470 2 2 6HRO A 294 ? 331 ? Q05320 464 ? 501 ? 479 516 3 3 6HRO B 1 ? 131 ? Q05320 502 ? 632 ? 502 632 # 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 6HRO GLU A 1 ? UNP Q05320 ? ? 'expression tag' 28 1 1 6HRO THR A 2 ? UNP Q05320 ? ? 'expression tag' 29 2 1 6HRO GLY A 3 ? UNP Q05320 ? ? 'expression tag' 30 3 1 6HRO ARG A 4 ? UNP Q05320 ? ? 'expression tag' 31 4 1 6HRO ALA A 15 ? UNP Q05320 THR 42 'engineered mutation' 42 5 1 6HRO UNK A 286 ? UNP Q05320 ? ? linker 471 6 1 6HRO UNK A 287 ? UNP Q05320 ? ? linker 472 7 1 6HRO UNK A 288 ? UNP Q05320 ? ? linker 473 8 1 6HRO UNK A 289 ? UNP Q05320 ? ? linker 474 9 1 6HRO UNK A 290 ? UNP Q05320 ? ? linker 475 10 1 6HRO UNK A 291 ? UNP Q05320 ? ? linker 476 11 1 6HRO UNK A 292 ? UNP Q05320 ? ? linker 477 12 1 6HRO UNK A 293 ? UNP Q05320 ? ? linker 478 13 3 6HRO ALA B 112 ? UNP Q05320 HIS 613 'engineered mutation' 613 14 3 6HRO GLY B 132 ? UNP Q05320 ? ? 'expression tag' 633 15 3 6HRO SER B 133 ? UNP Q05320 ? ? 'expression tag' 634 16 3 6HRO GLY B 134 ? UNP Q05320 ? ? 'expression tag' 635 17 3 6HRO TYR B 135 ? UNP Q05320 ? ? 'expression tag' 636 18 3 6HRO ILE B 136 ? UNP Q05320 ? ? 'expression tag' 637 19 3 6HRO PRO B 137 ? UNP Q05320 ? ? 'expression tag' 638 20 3 6HRO GLU B 138 ? UNP Q05320 ? ? 'expression tag' 639 21 3 6HRO ALA B 139 ? UNP Q05320 ? ? 'expression tag' 640 22 3 6HRO PRO B 140 ? UNP Q05320 ? ? 'expression tag' 641 23 3 6HRO ARG B 141 ? UNP Q05320 ? ? 'expression tag' 642 24 3 6HRO ASP B 142 ? UNP Q05320 ? ? 'expression tag' 643 25 3 6HRO GLY B 143 ? UNP Q05320 ? ? 'expression tag' 644 26 3 6HRO GLN B 144 ? UNP Q05320 ? ? 'expression tag' 645 27 3 6HRO ALA B 145 ? UNP Q05320 ? ? 'expression tag' 646 28 3 6HRO TYR B 146 ? UNP Q05320 ? ? 'expression tag' 647 29 3 6HRO VAL B 147 ? UNP Q05320 ? ? 'expression tag' 648 30 3 6HRO ARG B 148 ? UNP Q05320 ? ? 'expression tag' 649 31 3 6HRO LYS B 149 ? UNP Q05320 ? ? 'expression tag' 650 32 3 6HRO ASP B 150 ? UNP Q05320 ? ? 'expression tag' 651 33 3 6HRO GLY B 151 ? UNP Q05320 ? ? 'expression tag' 652 34 3 6HRO GLU B 152 ? UNP Q05320 ? ? 'expression tag' 653 35 3 6HRO TRP B 153 ? UNP Q05320 ? ? 'expression tag' 654 36 3 6HRO VAL B 154 ? UNP Q05320 ? ? 'expression tag' 655 37 3 6HRO LEU B 155 ? UNP Q05320 ? ? 'expression tag' 656 38 3 6HRO LEU B 156 ? UNP Q05320 ? ? 'expression tag' 657 39 3 6HRO SER B 157 ? UNP Q05320 ? ? 'expression tag' 658 40 3 6HRO THR B 158 ? UNP Q05320 ? ? 'expression tag' 659 41 3 6HRO PHE B 159 ? UNP Q05320 ? ? 'expression tag' 660 42 3 6HRO LEU B 160 ? UNP Q05320 ? ? 'expression tag' 661 43 3 6HRO GLY B 161 ? UNP Q05320 ? ? 'expression tag' 662 44 3 6HRO THR B 162 ? UNP Q05320 ? ? 'expression tag' 663 45 3 6HRO HIS B 163 ? UNP Q05320 ? ? 'expression tag' 664 46 3 6HRO HIS B 164 ? UNP Q05320 ? ? 'expression tag' 665 47 3 6HRO HIS B 165 ? UNP Q05320 ? ? 'expression tag' 666 48 3 6HRO HIS B 166 ? UNP Q05320 ? ? 'expression tag' 667 49 3 6HRO HIS B 167 ? UNP Q05320 ? ? 'expression tag' 668 50 3 6HRO HIS B 168 ? UNP Q05320 ? ? 'expression tag' 669 51 # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details hexameric _pdbx_struct_assembly.oligomeric_count 6 # 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)' 43260 ? 1 MORE -93 ? 1 'SSA (A^2)' 53960 ? # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q # _pdbx_struct_assembly_auth_evidence.id 1 _pdbx_struct_assembly_auth_evidence.assembly_id 1 _pdbx_struct_assembly_auth_evidence.experimental_support homology _pdbx_struct_assembly_auth_evidence.details ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_565 -y,x-y+1,z -0.5000000000 -0.8660254038 0.0000000000 -57.5600000000 0.8660254038 -0.5000000000 0.0000000000 99.6968444837 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_455 -x+y-1,-x,z -0.5000000000 0.8660254038 0.0000000000 -115.1200000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 ASP A 20 ? LEU A 24 ? ASP A 47 LEU A 51 5 ? 5 HELX_P HELX_P2 AA2 SER A 32 ? ASN A 34 ? SER A 59 ASN A 61 5 ? 3 HELX_P HELX_P3 AA3 GLU A 44 ? GLY A 47 ? GLU A 71 GLY A 74 5 ? 4 HELX_P HELX_P4 AA4 ASP A 51 ? LYS A 57 ? ASP A 78 LYS A 84 1 ? 7 HELX_P HELX_P5 AA5 THR A 222 ? GLY A 237 ? THR A 249 GLY A 264 1 ? 16 HELX_P HELX_P6 AA6 ALA B 37 ? GLY B 40 ? ALA B 538 GLY B 541 5 ? 4 HELX_P HELX_P7 AA7 ASN B 49 ? ASP B 51 ? ASN B 550 ASP B 552 5 ? 3 HELX_P HELX_P8 AA8 GLY B 52 ? THR B 75 ? GLY B 553 THR B 576 1 ? 24 HELX_P HELX_P9 AA9 SER B 82 ? GLY B 97 ? SER B 583 GLY B 598 1 ? 16 HELX_P HELX_P10 AB1 PRO B 111 ? THR B 119 ? PRO B 612 THR B 620 1 ? 9 HELX_P HELX_P11 AB2 ASP B 120 ? ILE B 125 ? ASP B 621 ILE B 626 5 ? 6 # _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 _struct_conn.pdbx_role disulf1 disulf ? ? A CYS 26 SG ? ? ? 1_555 B CYS 108 SG ? ? A CYS 53 B CYS 609 1_555 ? ? ? ? ? ? ? 2.031 ? ? disulf2 disulf ? ? A CYS 81 SG ? ? ? 1_555 A CYS 108 SG ? ? A CYS 108 A CYS 135 1_555 ? ? ? ? ? ? ? 2.029 ? ? disulf3 disulf ? ? A CYS 94 SG ? ? ? 1_555 A CYS 120 SG ? ? A CYS 121 A CYS 147 1_555 ? ? ? ? ? ? ? 2.032 ? ? disulf4 disulf ? ? B CYS 10 SG ? ? ? 1_555 B CYS 55 SG ? ? B CYS 511 B CYS 556 1_555 ? ? ? ? ? ? ? 2.034 ? ? disulf5 disulf ? ? B CYS 100 SG ? ? ? 1_555 B CYS 107 SG ? ? B CYS 601 B CYS 608 1_555 ? ? ? ? ? ? ? 2.033 ? ? covale1 covale one ? A ASN 201 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 228 A NAG 603 1_555 ? ? ? ? ? ? ? 1.444 ? N-Glycosylation covale2 covale one ? A ASN 211 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 238 A NAG 602 1_555 ? ? ? ? ? ? ? 1.445 ? N-Glycosylation covale3 covale one ? A ASN 230 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 257 A NAG 601 1_555 ? ? ? ? ? ? ? 1.440 ? N-Glycosylation covale4 covale one ? A ASN 241 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 268 A NAG 604 1_555 ? ? ? ? ? ? ? 1.439 ? N-Glycosylation covale5 covale one ? B ASN 62 ND2 ? ? ? 1_555 C NAG . C1 ? ? B ASN 563 C NAG 1 1_555 ? ? ? ? ? ? ? 1.450 ? N-Glycosylation covale6 covale one ? B ASN 117 ND2 ? ? ? 1_555 L NAG . C1 ? ? B ASN 618 B NAG 701 1_555 ? ? ? ? ? ? ? 1.453 ? N-Glycosylation covale7 covale both ? C NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? C NAG 1 C NAG 2 1_555 ? ? ? ? ? ? ? 1.455 ? ? covale8 covale both ? C NAG . O4 ? ? ? 1_555 C BMA . C1 ? ? C NAG 2 C BMA 3 1_555 ? ? ? ? ? ? ? 1.446 ? ? covale9 covale both ? C BMA . O3 ? ? ? 1_555 C MAN . C1 ? ? C BMA 3 C MAN 4 1_555 ? ? ? ? ? ? ? 1.446 ? ? covale10 covale both ? C BMA . O6 ? ? ? 1_555 C MAN . C1 ? ? C BMA 3 C MAN 5 1_555 ? ? ? ? ? ? ? 1.444 ? ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _pdbx_modification_feature.ordinal _pdbx_modification_feature.label_comp_id _pdbx_modification_feature.label_asym_id _pdbx_modification_feature.label_seq_id _pdbx_modification_feature.label_alt_id _pdbx_modification_feature.modified_residue_label_comp_id _pdbx_modification_feature.modified_residue_label_asym_id _pdbx_modification_feature.modified_residue_label_seq_id _pdbx_modification_feature.modified_residue_label_alt_id _pdbx_modification_feature.auth_comp_id _pdbx_modification_feature.auth_asym_id _pdbx_modification_feature.auth_seq_id _pdbx_modification_feature.PDB_ins_code _pdbx_modification_feature.symmetry _pdbx_modification_feature.modified_residue_auth_comp_id _pdbx_modification_feature.modified_residue_auth_asym_id _pdbx_modification_feature.modified_residue_auth_seq_id _pdbx_modification_feature.modified_residue_PDB_ins_code _pdbx_modification_feature.modified_residue_symmetry _pdbx_modification_feature.comp_id_linking_atom _pdbx_modification_feature.modified_residue_id_linking_atom _pdbx_modification_feature.modified_residue_id _pdbx_modification_feature.ref_pcm_id _pdbx_modification_feature.ref_comp_id _pdbx_modification_feature.type _pdbx_modification_feature.category 1 NAG C . ? ASN B 62 ? NAG C 1 ? 1_555 ASN B 563 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate 2 NAG D . ? ASN A 230 ? NAG A 601 ? 1_555 ASN A 257 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate 3 NAG E . ? ASN A 211 ? NAG A 602 ? 1_555 ASN A 238 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate 4 NAG F . ? ASN A 201 ? NAG A 603 ? 1_555 ASN A 228 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate 5 NAG G . ? ASN A 241 ? NAG A 604 ? 1_555 ASN A 268 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate 6 NAG L . ? ASN B 117 ? NAG B 701 ? 1_555 ASN B 618 ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate 7 CYS A 26 ? CYS B 108 ? CYS A 53 ? 1_555 CYS B 609 ? 1_555 SG SG . . . None 'Disulfide bridge' 8 CYS A 81 ? CYS A 108 ? CYS A 108 ? 1_555 CYS A 135 ? 1_555 SG SG . . . None 'Disulfide bridge' 9 CYS A 94 ? CYS A 120 ? CYS A 121 ? 1_555 CYS A 147 ? 1_555 SG SG . . . None 'Disulfide bridge' 10 CYS B 10 ? CYS B 55 ? CYS B 511 ? 1_555 CYS B 556 ? 1_555 SG SG . . . None 'Disulfide bridge' 11 CYS B 100 ? CYS B 107 ? CYS B 601 ? 1_555 CYS B 608 ? 1_555 SG SG . . . None 'Disulfide bridge' # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 2 ? AA2 ? 6 ? AA3 ? 2 ? AA4 ? 3 ? AA5 ? 8 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA2 5 6 ? parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA5 1 2 ? parallel AA5 2 3 ? parallel AA5 3 4 ? anti-parallel AA5 4 5 ? anti-parallel AA5 5 6 ? parallel AA5 6 7 ? parallel AA5 7 8 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 LEU A 8 ? HIS A 12 ? LEU A 35 HIS A 39 AA1 2 ALA A 15 ? SER A 19 ? ALA A 42 SER A 46 AA2 1 LEU A 36 ? ASN A 42 ? LEU A 63 ASN A 69 AA2 2 ALA A 150 ? ILE A 158 ? ALA A 177 ILE A 185 AA2 3 PHE A 132 ? LEU A 134 ? PHE A 159 LEU A 161 AA2 4 LEU A 138 ? SER A 140 ? LEU A 165 SER A 167 AA2 5 VAL A 69 ? ASN A 71 ? VAL A 96 ASN A 98 AA2 6 ARG B 79 ? THR B 80 ? ARG B 580 THR B 581 AA3 1 TRP A 59 ? ARG A 62 ? TRP A 86 ARG A 89 AA3 2 PHE A 124 ? HIS A 127 ? PHE A 151 HIS A 154 AA4 1 ALA A 74 ? GLU A 76 ? ALA A 101 GLU A 103 AA4 2 LEU B 14 ? THR B 19 ? LEU B 515 THR B 520 AA4 3 TYR B 42 ? MET B 47 ? TYR B 543 MET B 548 AA5 1 ALA A 78 ? LYS A 87 ? ALA A 105 LYS A 114 AA5 2 CYS A 108 ? THR A 117 ? CYS A 135 THR A 144 AA5 3 THR A 189 ? THR A 196 ? THR A 216 THR A 223 AA5 4 GLU A 204 ? ASP A 210 ? GLU A 231 ASP A 237 AA5 5 THR A 213 ? GLN A 216 ? THR A 240 GLN A 243 AA5 6 LEU A 246 ? VAL A 250 ? LEU A 273 VAL A 277 AA5 7 UNK A 287 ? UNK A 292 ? UNK A 472 UNK A 477 AA5 8 SER A 280 ? VAL A 283 ? SER A 306 VAL A 309 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N HIS A 12 ? N HIS A 39 O ALA A 15 ? O ALA A 42 AA2 1 2 N LEU A 41 ? N LEU A 68 O VAL A 153 ? O VAL A 180 AA2 2 3 O ALA A 150 ? O ALA A 177 N LEU A 134 ? N LEU A 161 AA2 3 4 N PHE A 133 ? N PHE A 160 O SER A 140 ? O SER A 167 AA2 4 5 O ALA A 139 ? O ALA A 166 N VAL A 70 ? N VAL A 97 AA2 5 6 N VAL A 69 ? N VAL A 96 O THR B 80 ? O THR B 581 AA3 1 2 N GLY A 60 ? N GLY A 87 O PHE A 126 ? O PHE A 153 AA4 1 2 N GLY A 75 ? N GLY A 102 O TRP B 17 ? O TRP B 518 AA4 2 3 N THR B 18 ? N THR B 519 O ILE B 43 ? O ILE B 544 AA5 1 2 N CYS A 81 ? N CYS A 108 O HIS A 112 ? O HIS A 139 AA5 2 3 N LYS A 113 ? N LYS A 140 O ILE A 191 ? O ILE A 218 AA5 3 4 N GLN A 194 ? N GLN A 221 O LEU A 206 ? O LEU A 233 AA5 4 5 N PHE A 207 ? N PHE A 234 O VAL A 215 ? O VAL A 242 AA5 5 6 N TYR A 214 ? N TYR A 241 O TRP A 248 ? O TRP A 275 AA5 6 7 N ILE A 247 ? N ILE A 274 O UNK A 287 ? O UNK A 472 AA5 7 8 O UNK A 290 ? O UNK A 475 N THR A 282 ? N THR A 308 # _pdbx_entry_details.entry_id 6HRO _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ? _pdbx_entry_details.has_ligand_of_interest ? _pdbx_entry_details.has_protein_modification Y # 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 SER A 46 ? ? -160.23 -160.76 2 1 TYR A 162 ? ? -110.20 -157.08 3 1 ASN A 268 ? ? -116.80 57.59 4 1 ASN B 550 ? ? -83.92 43.49 5 1 LEU B 604 ? ? 81.15 -10.96 6 1 CYS B 609 ? ? -92.35 58.51 7 1 ASP B 624 ? ? -93.26 35.20 8 1 ILE B 626 ? ? -143.32 -29.26 9 1 PHE B 630 ? ? -102.15 59.90 # 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[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -56.3530 15.1028 -1.4880 0.7338 0.5669 0.4787 0.0333 0.0677 0.0601 2.9045 5.6669 4.6041 0.6789 0.8544 1.9098 -0.0027 -0.6291 -0.0221 0.9219 0.0140 0.0761 0.7200 -0.2977 0.0488 'X-RAY DIFFRACTION' 2 ? refined -56.5265 12.4546 -28.2400 0.6214 0.4211 0.4708 -0.0327 0.0752 -0.0055 1.3006 2.5662 3.1066 -0.8660 -0.3646 0.8459 -0.0411 0.3246 -0.1460 -0.3163 -0.1356 0.0623 0.4762 -0.1126 0.1610 'X-RAY DIFFRACTION' 3 ? refined -44.6870 8.0335 -23.8551 0.6261 0.3796 0.8203 0.0901 0.0619 0.0147 4.3243 4.4482 9.4770 -1.3315 -1.0472 1.9501 0.0183 0.3735 -0.0343 -0.2933 0.6331 -1.3272 0.4162 2.0700 -0.5669 'X-RAY DIFFRACTION' 4 ? refined -54.0557 -2.2998 -40.9182 1.2582 0.7868 0.7342 -0.1680 0.1125 -0.1429 3.3871 4.8123 4.4029 -4.0062 -0.7277 0.2533 -0.3800 -0.0968 -0.5499 -0.3714 0.1006 0.3662 0.7197 -0.0990 0.2064 'X-RAY DIFFRACTION' 5 ? refined -40.3171 -6.4724 -38.3846 1.2283 0.9184 0.9274 0.3017 0.2102 -0.0144 2.7195 7.1146 2.6264 1.6719 -2.6264 -1.0683 -0.7336 -0.0376 -1.4565 -0.1866 0.0756 -1.3010 0.8573 1.7470 0.1190 'X-RAY DIFFRACTION' 6 ? refined -46.9148 -9.6152 -46.8889 1.5105 0.7362 0.7738 -0.0574 0.2547 -0.2700 7.6365 2.6541 8.1137 2.2198 -1.4117 -0.2527 -0.1598 0.6671 -1.4025 -1.1569 0.0644 -1.0740 0.7524 -0.1227 0.1764 'X-RAY DIFFRACTION' 7 ? refined -46.0264 -12.5484 -36.5023 1.8093 1.0296 1.2523 0.4098 0.0427 -0.0224 0.1228 1.7722 5.7651 0.4329 0.6486 3.1054 -0.4260 0.0614 0.0326 0.6233 0.1481 0.2195 1.9076 0.6836 0.2751 'X-RAY DIFFRACTION' 8 ? refined -56.4030 0.4727 -8.3472 1.1502 0.5183 0.6851 -0.1341 0.1890 0.0238 3.4227 6.0998 7.8375 3.9861 2.8132 0.5512 0.3255 0.1366 -0.2161 1.4297 -0.3105 0.3570 1.3330 -0.3813 0.0295 'X-RAY DIFFRACTION' 9 ? refined -36.0710 23.2700 -17.4553 0.5215 0.7042 0.6966 0.1350 -0.0011 0.1132 5.0610 4.4209 4.0622 4.7461 -3.8396 -3.9716 0.0670 -0.4196 -0.1361 -0.0205 -0.5420 -0.7749 0.1925 0.7078 0.4920 'X-RAY DIFFRACTION' 10 ? refined -41.0033 9.0874 -11.1906 0.8318 0.6636 0.7418 0.0876 -0.0037 0.1744 1.8274 9.6574 4.2694 3.9425 -1.4537 -4.9852 -0.0931 -0.1200 -0.2746 0.5289 -0.2427 -0.6679 0.6080 0.3138 0.1940 'X-RAY DIFFRACTION' 11 ? refined -54.4764 5.3311 -6.5666 0.9245 0.4104 0.6211 -0.0275 0.1083 0.0204 0.8102 6.5206 8.9138 -1.6260 1.4112 -1.6374 0.3599 -0.3229 -0.4253 0.3868 -0.2770 -0.2463 1.4730 0.0473 -0.0202 'X-RAY DIFFRACTION' 12 ? refined -64.4988 21.9344 -16.4787 0.5360 0.5385 0.5808 -0.0315 0.0552 -0.0277 3.2201 2.6546 4.5014 -1.2377 0.4181 -0.3423 -0.1538 -0.2058 0.2831 0.1632 0.1774 0.5509 0.0179 -0.6430 0.0821 'X-RAY DIFFRACTION' 13 ? refined -60.1522 27.1145 0.6864 0.5546 0.4669 0.5275 -0.0211 0.0236 0.0468 5.5602 9.7834 3.8741 -1.7656 -2.1165 6.0158 0.0871 -0.3574 -0.5585 0.8122 -0.1309 0.5857 0.6064 -0.4483 0.0853 'X-RAY DIFFRACTION' 14 ? refined -62.1686 27.7820 17.5940 1.3384 1.4519 1.0678 0.0182 0.1673 0.1230 2.1396 2.5315 2.6235 1.6192 -1.7772 -2.5583 -0.4646 -0.9490 -0.8796 1.1897 -0.1508 0.8078 0.9554 -1.4072 0.4844 'X-RAY DIFFRACTION' 15 ? refined -51.5121 29.0829 29.9938 2.0645 2.5904 1.7955 0.3398 0.2732 0.3918 8.9227 5.5748 0.5555 -7.0453 -2.2276 1.7556 0.5243 1.4387 1.0866 -0.8006 -0.3962 -0.8986 -0.3515 -0.4174 -0.0486 'X-RAY DIFFRACTION' 16 ? refined -49.7608 33.6680 43.7968 1.9934 2.5666 2.0026 -0.2499 -0.1543 -0.0013 1.4921 1.5445 1.1270 1.5272 1.3024 1.3282 0.6208 1.2082 -0.2723 1.0051 -0.8480 -1.5281 0.1886 0.8491 0.1756 # 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.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 30 through 73 ) ; 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 74 through 185 ) ; 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 186 through 223 ) ; 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 224 through 249 ) ; 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 250 through 263 ) ; 'X-RAY DIFFRACTION' 6 6 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 264 through 282 ) ; 'X-RAY DIFFRACTION' 7 7 ? ? ? ? ? ? ? ? ? ;chain 'A' and (resid 283 through 478 ) ; 'X-RAY DIFFRACTION' 8 8 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 502 through 514 ) ; 'X-RAY DIFFRACTION' 9 9 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 515 through 542 ) ; 'X-RAY DIFFRACTION' 10 10 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 543 through 550 ) ; 'X-RAY DIFFRACTION' 11 11 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 551 through 564 ) ; 'X-RAY DIFFRACTION' 12 12 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 565 through 583 ) ; 'X-RAY DIFFRACTION' 13 13 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 584 through 597 ) ; 'X-RAY DIFFRACTION' 14 14 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 598 through 612 ) ; 'X-RAY DIFFRACTION' 15 15 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 613 through 620 ) ; 'X-RAY DIFFRACTION' 16 16 ? ? ? ? ? ? ? ? ? ;chain 'B' and (resid 621 through 631 ) ; # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLU 28 ? A GLU 1 2 1 Y 1 A THR 29 ? A THR 2 3 1 Y 1 A ASP 192 ? A ASP 165 4 1 Y 1 A PHE 193 ? A PHE 166 5 1 Y 1 A PHE 194 ? A PHE 167 6 1 Y 1 A SER 195 ? A SER 168 7 1 Y 1 A SER 196 ? A SER 169 8 1 Y 1 A HIS 197 ? A HIS 170 9 1 Y 1 A PRO 198 ? A PRO 171 10 1 Y 1 A LEU 199 ? A LEU 172 11 1 Y 1 A ARG 200 ? A ARG 173 12 1 Y 1 A GLU 201 ? A GLU 174 13 1 Y 1 A PRO 202 ? A PRO 175 14 1 Y 1 A VAL 203 ? A VAL 176 15 1 Y 1 A ASN 204 ? A ASN 177 16 1 Y 1 A ALA 205 ? A ALA 178 17 1 Y 1 A THR 206 ? A THR 179 18 1 Y 1 A GLU 207 ? A GLU 180 19 1 Y 1 A ASP 208 ? A ASP 181 20 1 Y 1 A PRO 209 ? A PRO 182 21 1 Y 1 A SER 210 ? A SER 183 22 1 Y 1 A ILE 285 ? A ILE 258 23 1 Y 1 A GLY 286 ? A GLY 259 24 1 Y 1 A GLU 287 ? A GLU 260 25 1 Y 1 A THR 292 A A THR 266 26 1 Y 1 A LYS 292 B A LYS 267 27 1 Y 1 A LYS 292 C A LYS 268 28 1 Y 1 A ASN 292 D A ASN 269 29 1 Y 1 A LEU 292 E A LEU 270 30 1 Y 1 A THR 292 F A THR 271 31 1 Y 1 A ARG 292 G A ARG 272 32 1 Y 1 A LYS 292 H A LYS 273 33 1 Y 1 A ILE 292 I A ILE 274 34 1 Y 1 A ARG 292 J A ARG 275 35 1 Y 1 A SER 470 ? A SER 285 36 1 Y 1 A THR 479 ? A THR 294 37 1 Y 1 A HIS 480 ? A HIS 295 38 1 Y 1 A HIS 481 ? A HIS 296 39 1 Y 1 A GLN 482 ? A GLN 297 40 1 Y 1 A ASP 483 ? A ASP 298 41 1 Y 1 A THR 484 ? A THR 299 42 1 Y 1 A GLY 485 ? A GLY 300 43 1 Y 1 A GLU 486 ? A GLU 301 44 1 Y 1 A GLU 487 ? A GLU 302 45 1 Y 1 A SER 488 ? A SER 303 46 1 Y 1 A ALA 489 ? A ALA 304 47 1 Y 1 A SER 490 ? A SER 305 48 1 Y 1 A SER 491 ? A SER 306 49 1 Y 1 A GLY 492 ? A GLY 307 50 1 Y 1 A LYS 493 ? A LYS 308 51 1 Y 1 A LEU 494 ? A LEU 309 52 1 Y 1 A GLY 495 ? A GLY 310 53 1 Y 1 A LEU 496 ? A LEU 311 54 1 Y 1 A ILE 497 ? A ILE 312 55 1 Y 1 A THR 498 ? A THR 313 56 1 Y 1 A ASN 499 ? A ASN 314 57 1 Y 1 A THR 500 ? A THR 315 58 1 Y 1 A ILE 501 ? A ILE 316 59 1 Y 1 A ALA 502 ? A ALA 317 60 1 Y 1 A GLY 503 ? A GLY 318 61 1 Y 1 A VAL 504 ? A VAL 319 62 1 Y 1 A ALA 505 ? A ALA 320 63 1 Y 1 A GLY 506 ? A GLY 321 64 1 Y 1 A LEU 507 ? A LEU 322 65 1 Y 1 A ILE 508 ? A ILE 323 66 1 Y 1 A THR 509 ? A THR 324 67 1 Y 1 A GLY 510 ? A GLY 325 68 1 Y 1 A GLY 511 ? A GLY 326 69 1 Y 1 A ARG 512 ? A ARG 327 70 1 Y 1 A ARG 513 ? A ARG 328 71 1 Y 1 A THR 514 ? A THR 329 72 1 Y 1 A ARG 515 ? A ARG 330 73 1 Y 1 A ARG 516 ? A ARG 331 74 1 Y 1 B ASP 632 ? B ASP 131 75 1 Y 1 B GLY 633 ? B GLY 132 76 1 Y 1 B SER 634 ? B SER 133 77 1 Y 1 B GLY 635 ? B GLY 134 78 1 Y 1 B TYR 636 ? B TYR 135 79 1 Y 1 B ILE 637 ? B ILE 136 80 1 Y 1 B PRO 638 ? B PRO 137 81 1 Y 1 B GLU 639 ? B GLU 138 82 1 Y 1 B ALA 640 ? B ALA 139 83 1 Y 1 B PRO 641 ? B PRO 140 84 1 Y 1 B ARG 642 ? B ARG 141 85 1 Y 1 B ASP 643 ? B ASP 142 86 1 Y 1 B GLY 644 ? B GLY 143 87 1 Y 1 B GLN 645 ? B GLN 144 88 1 Y 1 B ALA 646 ? B ALA 145 89 1 Y 1 B TYR 647 ? B TYR 146 90 1 Y 1 B VAL 648 ? B VAL 147 91 1 Y 1 B ARG 649 ? B ARG 148 92 1 Y 1 B LYS 650 ? B LYS 149 93 1 Y 1 B ASP 651 ? B ASP 150 94 1 Y 1 B GLY 652 ? B GLY 151 95 1 Y 1 B GLU 653 ? B GLU 152 96 1 Y 1 B TRP 654 ? B TRP 153 97 1 Y 1 B VAL 655 ? B VAL 154 98 1 Y 1 B LEU 656 ? B LEU 155 99 1 Y 1 B LEU 657 ? B LEU 156 100 1 Y 1 B SER 658 ? B SER 157 101 1 Y 1 B THR 659 ? B THR 158 102 1 Y 1 B PHE 660 ? B PHE 159 103 1 Y 1 B LEU 661 ? B LEU 160 104 1 Y 1 B GLY 662 ? B GLY 161 105 1 Y 1 B THR 663 ? B THR 162 106 1 Y 1 B HIS 664 ? B HIS 163 107 1 Y 1 B HIS 665 ? B HIS 164 108 1 Y 1 B HIS 666 ? B HIS 165 109 1 Y 1 B HIS 667 ? B HIS 166 110 1 Y 1 B HIS 668 ? B HIS 167 111 1 Y 1 B HIS 669 ? B HIS 168 # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_ordinal ALA N N N N 1 ALA CA C N S 2 ALA C C N N 3 ALA O O N N 4 ALA CB C N N 5 ALA OXT O N N 6 ALA H H N N 7 ALA H2 H N N 8 ALA HA H N N 9 ALA HB1 H N N 10 ALA HB2 H N N 11 ALA HB3 H N N 12 ALA HXT H N N 13 ARG N N N N 14 ARG CA C N S 15 ARG C C N N 16 ARG O O N N 17 ARG CB C N N 18 ARG CG C N N 19 ARG CD C N N 20 ARG NE N N N 21 ARG CZ C N N 22 ARG NH1 N N N 23 ARG NH2 N N N 24 ARG OXT O N N 25 ARG H H N N 26 ARG H2 H N N 27 ARG HA H N N 28 ARG HB2 H N N 29 ARG HB3 H N N 30 ARG HG2 H N N 31 ARG HG3 H N N 32 ARG HD2 H N N 33 ARG HD3 H N N 34 ARG HE H N N 35 ARG HH11 H N N 36 ARG HH12 H N N 37 ARG HH21 H N N 38 ARG HH22 H N N 39 ARG HXT H N N 40 ASN N N N N 41 ASN CA C N S 42 ASN C C N N 43 ASN O O N N 44 ASN CB C N N 45 ASN CG C N N 46 ASN OD1 O N N 47 ASN ND2 N N N 48 ASN OXT O N N 49 ASN H H N N 50 ASN H2 H N N 51 ASN HA H N N 52 ASN HB2 H N N 53 ASN HB3 H N N 54 ASN HD21 H N N 55 ASN HD22 H N N 56 ASN HXT H N N 57 ASP N N N N 58 ASP CA C N S 59 ASP C C N N 60 ASP O O N N 61 ASP CB C N N 62 ASP CG C N N 63 ASP OD1 O N N 64 ASP OD2 O N N 65 ASP OXT O N N 66 ASP H H N N 67 ASP H2 H N N 68 ASP HA H N N 69 ASP HB2 H N N 70 ASP HB3 H N N 71 ASP HD2 H N N 72 ASP HXT H N N 73 BMA C1 C N R 74 BMA C2 C N S 75 BMA C3 C N S 76 BMA C4 C N S 77 BMA C5 C N R 78 BMA C6 C N N 79 BMA O1 O N N 80 BMA O2 O N N 81 BMA O3 O N N 82 BMA O4 O N N 83 BMA O5 O N N 84 BMA O6 O N N 85 BMA H1 H N N 86 BMA H2 H N N 87 BMA H3 H N N 88 BMA H4 H N N 89 BMA H5 H N N 90 BMA H61 H N N 91 BMA H62 H N N 92 BMA HO1 H N N 93 BMA HO2 H N N 94 BMA HO3 H N N 95 BMA HO4 H N N 96 BMA HO6 H N N 97 CYS N N N N 98 CYS CA C N R 99 CYS C C N N 100 CYS O O N N 101 CYS CB C N N 102 CYS SG S N N 103 CYS OXT O N N 104 CYS H H N N 105 CYS H2 H N N 106 CYS HA H N N 107 CYS HB2 H N N 108 CYS HB3 H N N 109 CYS HG H N N 110 CYS HXT H N N 111 DMS S S N N 112 DMS O O N N 113 DMS C1 C N N 114 DMS C2 C N N 115 DMS H11 H N N 116 DMS H12 H N N 117 DMS H13 H N N 118 DMS H21 H N N 119 DMS H22 H N N 120 DMS H23 H N N 121 GKZ C10 C Y N 122 GKZ C15 C N N 123 GKZ C20 C N N 124 GKZ C21 C N N 125 GKZ C22 C N N 126 GKZ C26 C Y N 127 GKZ C28 C Y N 128 GKZ C01 C N N 129 GKZ C02 C Y N 130 GKZ C03 C Y N 131 GKZ C04 C Y N 132 GKZ C07 C Y N 133 GKZ C08 C Y N 134 GKZ C09 C Y N 135 GKZ C11 C Y N 136 GKZ C12 C Y N 137 GKZ C16 C N N 138 GKZ C18 C N N 139 GKZ C19 C N N 140 GKZ C23 C N N 141 GKZ C27 C Y N 142 GKZ C29 C Y N 143 GKZ C30 C Y N 144 GKZ C31 C Y N 145 GKZ N05 N Y N 146 GKZ N06 N Y N 147 GKZ N17 N N N 148 GKZ N25 N N N 149 GKZ O13 O N N 150 GKZ O14 O N N 151 GKZ O24 O N N 152 GKZ CL CL N N 153 GKZ H1 H N N 154 GKZ H2 H N N 155 GKZ H3 H N N 156 GKZ H4 H N N 157 GKZ H5 H N N 158 GKZ H6 H N N 159 GKZ H7 H N N 160 GKZ H8 H N N 161 GKZ H9 H N N 162 GKZ H10 H N N 163 GKZ H11 H N N 164 GKZ H12 H N N 165 GKZ H13 H N N 166 GKZ H14 H N N 167 GKZ H15 H N N 168 GKZ H16 H N N 169 GKZ H17 H N N 170 GKZ H18 H N N 171 GKZ H19 H N N 172 GKZ H20 H N N 173 GKZ H21 H N N 174 GKZ H22 H N N 175 GKZ H23 H N N 176 GKZ H24 H N N 177 GKZ H25 H N N 178 GKZ H26 H N N 179 GKZ H27 H N N 180 GKZ H28 H N N 181 GLN N N N N 182 GLN CA C N S 183 GLN C C N N 184 GLN O O N N 185 GLN CB C N N 186 GLN CG C N N 187 GLN CD C N N 188 GLN OE1 O N N 189 GLN NE2 N N N 190 GLN OXT O N N 191 GLN H H N N 192 GLN H2 H N N 193 GLN HA H N N 194 GLN HB2 H N N 195 GLN HB3 H N N 196 GLN HG2 H N N 197 GLN HG3 H N N 198 GLN HE21 H N N 199 GLN HE22 H N N 200 GLN HXT H N N 201 GLU N N N N 202 GLU CA C N S 203 GLU C C N N 204 GLU O O N N 205 GLU CB C N N 206 GLU CG C N N 207 GLU CD C N N 208 GLU OE1 O N N 209 GLU OE2 O N N 210 GLU OXT O N N 211 GLU H H N N 212 GLU H2 H N N 213 GLU HA H N N 214 GLU HB2 H N N 215 GLU HB3 H N N 216 GLU HG2 H N N 217 GLU HG3 H N N 218 GLU HE2 H N N 219 GLU HXT H N N 220 GLY N N N N 221 GLY CA C N N 222 GLY C C N N 223 GLY O O N N 224 GLY OXT O N N 225 GLY H H N N 226 GLY H2 H N N 227 GLY HA2 H N N 228 GLY HA3 H N N 229 GLY HXT H N N 230 GOL C1 C N N 231 GOL O1 O N N 232 GOL C2 C N N 233 GOL O2 O N N 234 GOL C3 C N N 235 GOL O3 O N N 236 GOL H11 H N N 237 GOL H12 H N N 238 GOL HO1 H N N 239 GOL H2 H N N 240 GOL HO2 H N N 241 GOL H31 H N N 242 GOL H32 H N N 243 GOL HO3 H N N 244 HIS N N N N 245 HIS CA C N S 246 HIS C C N N 247 HIS O O N N 248 HIS CB C N N 249 HIS CG C Y N 250 HIS ND1 N Y N 251 HIS CD2 C Y N 252 HIS CE1 C Y N 253 HIS NE2 N Y N 254 HIS OXT O N N 255 HIS H H N N 256 HIS H2 H N N 257 HIS HA H N N 258 HIS HB2 H N N 259 HIS HB3 H N N 260 HIS HD1 H N N 261 HIS HD2 H N N 262 HIS HE1 H N N 263 HIS HE2 H N N 264 HIS HXT H N N 265 HOH O O N N 266 HOH H1 H N N 267 HOH H2 H N N 268 ILE N N N N 269 ILE CA C N S 270 ILE C C N N 271 ILE O O N N 272 ILE CB C N S 273 ILE CG1 C N N 274 ILE CG2 C N N 275 ILE CD1 C N N 276 ILE OXT O N N 277 ILE H H N N 278 ILE H2 H N N 279 ILE HA H N N 280 ILE HB H N N 281 ILE HG12 H N N 282 ILE HG13 H N N 283 ILE HG21 H N N 284 ILE HG22 H N N 285 ILE HG23 H N N 286 ILE HD11 H N N 287 ILE HD12 H N N 288 ILE HD13 H N N 289 ILE HXT H N N 290 LEU N N N N 291 LEU CA C N S 292 LEU C C N N 293 LEU O O N N 294 LEU CB C N N 295 LEU CG C N N 296 LEU CD1 C N N 297 LEU CD2 C N N 298 LEU OXT O N N 299 LEU H H N N 300 LEU H2 H N N 301 LEU HA H N N 302 LEU HB2 H N N 303 LEU HB3 H N N 304 LEU HG H N N 305 LEU HD11 H N N 306 LEU HD12 H N N 307 LEU HD13 H N N 308 LEU HD21 H N N 309 LEU HD22 H N N 310 LEU HD23 H N N 311 LEU HXT H N N 312 LYS N N N N 313 LYS CA C N S 314 LYS C C N N 315 LYS O O N N 316 LYS CB C N N 317 LYS CG C N N 318 LYS CD C N N 319 LYS CE C N N 320 LYS NZ N N N 321 LYS OXT O N N 322 LYS H H N N 323 LYS H2 H N N 324 LYS HA H N N 325 LYS HB2 H N N 326 LYS HB3 H N N 327 LYS HG2 H N N 328 LYS HG3 H N N 329 LYS HD2 H N N 330 LYS HD3 H N N 331 LYS HE2 H N N 332 LYS HE3 H N N 333 LYS HZ1 H N N 334 LYS HZ2 H N N 335 LYS HZ3 H N N 336 LYS HXT H N N 337 MAN C1 C N S 338 MAN C2 C N S 339 MAN C3 C N S 340 MAN C4 C N S 341 MAN C5 C N R 342 MAN C6 C N N 343 MAN O1 O N N 344 MAN O2 O N N 345 MAN O3 O N N 346 MAN O4 O N N 347 MAN O5 O N N 348 MAN O6 O N N 349 MAN H1 H N N 350 MAN H2 H N N 351 MAN H3 H N N 352 MAN H4 H N N 353 MAN H5 H N N 354 MAN H61 H N N 355 MAN H62 H N N 356 MAN HO1 H N N 357 MAN HO2 H N N 358 MAN HO3 H N N 359 MAN HO4 H N N 360 MAN HO6 H N N 361 MET N N N N 362 MET CA C N S 363 MET C C N N 364 MET O O N N 365 MET CB C N N 366 MET CG C N N 367 MET SD S N N 368 MET CE C N N 369 MET OXT O N N 370 MET H H N N 371 MET H2 H N N 372 MET HA H N N 373 MET HB2 H N N 374 MET HB3 H N N 375 MET HG2 H N N 376 MET HG3 H N N 377 MET HE1 H N N 378 MET HE2 H N N 379 MET HE3 H N N 380 MET HXT H N N 381 NAG C1 C N R 382 NAG C2 C N R 383 NAG C3 C N R 384 NAG C4 C N S 385 NAG C5 C N R 386 NAG C6 C N N 387 NAG C7 C N N 388 NAG C8 C N N 389 NAG N2 N N N 390 NAG O1 O N N 391 NAG O3 O N N 392 NAG O4 O N N 393 NAG O5 O N N 394 NAG O6 O N N 395 NAG O7 O N N 396 NAG H1 H N N 397 NAG H2 H N N 398 NAG H3 H N N 399 NAG H4 H N N 400 NAG H5 H N N 401 NAG H61 H N N 402 NAG H62 H N N 403 NAG H81 H N N 404 NAG H82 H N N 405 NAG H83 H N N 406 NAG HN2 H N N 407 NAG HO1 H N N 408 NAG HO3 H N N 409 NAG HO4 H N N 410 NAG HO6 H N N 411 PHE N N N N 412 PHE CA C N S 413 PHE C C N N 414 PHE O O N N 415 PHE CB C N N 416 PHE CG C Y N 417 PHE CD1 C Y N 418 PHE CD2 C Y N 419 PHE CE1 C Y N 420 PHE CE2 C Y N 421 PHE CZ C Y N 422 PHE OXT O N N 423 PHE H H N N 424 PHE H2 H N N 425 PHE HA H N N 426 PHE HB2 H N N 427 PHE HB3 H N N 428 PHE HD1 H N N 429 PHE HD2 H N N 430 PHE HE1 H N N 431 PHE HE2 H N N 432 PHE HZ H N N 433 PHE HXT H N N 434 PRO N N N N 435 PRO CA C N S 436 PRO C C N N 437 PRO O O N N 438 PRO CB C N N 439 PRO CG C N N 440 PRO CD C N N 441 PRO OXT O N N 442 PRO H H N N 443 PRO HA H N N 444 PRO HB2 H N N 445 PRO HB3 H N N 446 PRO HG2 H N N 447 PRO HG3 H N N 448 PRO HD2 H N N 449 PRO HD3 H N N 450 PRO HXT H N N 451 SER N N N N 452 SER CA C N S 453 SER C C N N 454 SER O O N N 455 SER CB C N N 456 SER OG O N N 457 SER OXT O N N 458 SER H H N N 459 SER H2 H N N 460 SER HA H N N 461 SER HB2 H N N 462 SER HB3 H N N 463 SER HG H N N 464 SER HXT H N N 465 THR N N N N 466 THR CA C N S 467 THR C C N N 468 THR O O N N 469 THR CB C N R 470 THR OG1 O N N 471 THR CG2 C N N 472 THR OXT O N N 473 THR H H N N 474 THR H2 H N N 475 THR HA H N N 476 THR HB H N N 477 THR HG1 H N N 478 THR HG21 H N N 479 THR HG22 H N N 480 THR HG23 H N N 481 THR HXT H N N 482 TRP N N N N 483 TRP CA C N S 484 TRP C C N N 485 TRP O O N N 486 TRP CB C N N 487 TRP CG C Y N 488 TRP CD1 C Y N 489 TRP CD2 C Y N 490 TRP NE1 N Y N 491 TRP CE2 C Y N 492 TRP CE3 C Y N 493 TRP CZ2 C Y N 494 TRP CZ3 C Y N 495 TRP CH2 C Y N 496 TRP OXT O N N 497 TRP H H N N 498 TRP H2 H N N 499 TRP HA H N N 500 TRP HB2 H N N 501 TRP HB3 H N N 502 TRP HD1 H N N 503 TRP HE1 H N N 504 TRP HE3 H N N 505 TRP HZ2 H N N 506 TRP HZ3 H N N 507 TRP HH2 H N N 508 TRP HXT H N N 509 TYR N N N N 510 TYR CA C N S 511 TYR C C N N 512 TYR O O N N 513 TYR CB C N N 514 TYR CG C Y N 515 TYR CD1 C Y N 516 TYR CD2 C Y N 517 TYR CE1 C Y N 518 TYR CE2 C Y N 519 TYR CZ C Y N 520 TYR OH O N N 521 TYR OXT O N N 522 TYR H H N N 523 TYR H2 H N N 524 TYR HA H N N 525 TYR HB2 H N N 526 TYR HB3 H N N 527 TYR HD1 H N N 528 TYR HD2 H N N 529 TYR HE1 H N N 530 TYR HE2 H N N 531 TYR HH H N N 532 TYR HXT H N N 533 VAL N N N N 534 VAL CA C N S 535 VAL C C N N 536 VAL O O N N 537 VAL CB C N N 538 VAL CG1 C N N 539 VAL CG2 C N N 540 VAL OXT O N N 541 VAL H H N N 542 VAL H2 H N N 543 VAL HA H N N 544 VAL HB H N N 545 VAL HG11 H N N 546 VAL HG12 H N N 547 VAL HG13 H N N 548 VAL HG21 H N N 549 VAL HG22 H N N 550 VAL HG23 H N N 551 VAL HXT H N N 552 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal ALA N CA sing N N 1 ALA N H sing N N 2 ALA N H2 sing N N 3 ALA CA C sing N N 4 ALA CA CB sing N N 5 ALA CA HA sing N N 6 ALA C O doub N N 7 ALA C OXT sing N N 8 ALA CB HB1 sing N N 9 ALA CB HB2 sing N N 10 ALA CB HB3 sing N N 11 ALA OXT HXT sing N N 12 ARG N CA sing N N 13 ARG N H sing N N 14 ARG N H2 sing N N 15 ARG CA C sing N N 16 ARG CA CB sing N N 17 ARG CA HA sing N N 18 ARG C O doub N N 19 ARG C OXT sing N N 20 ARG CB CG sing N N 21 ARG CB HB2 sing N N 22 ARG CB HB3 sing N N 23 ARG CG CD sing N N 24 ARG CG HG2 sing N N 25 ARG CG HG3 sing N N 26 ARG CD NE sing N N 27 ARG CD HD2 sing N N 28 ARG CD HD3 sing N N 29 ARG NE CZ sing N N 30 ARG NE HE sing N N 31 ARG CZ NH1 sing N N 32 ARG CZ NH2 doub N N 33 ARG NH1 HH11 sing N N 34 ARG NH1 HH12 sing N N 35 ARG NH2 HH21 sing N N 36 ARG NH2 HH22 sing N N 37 ARG OXT HXT sing N N 38 ASN N CA sing N N 39 ASN N H sing N N 40 ASN N H2 sing N N 41 ASN CA C sing N N 42 ASN CA CB sing N N 43 ASN CA HA sing N N 44 ASN C O doub N N 45 ASN C OXT sing N N 46 ASN CB CG sing N N 47 ASN CB HB2 sing N N 48 ASN CB HB3 sing N N 49 ASN CG OD1 doub N N 50 ASN CG ND2 sing N N 51 ASN ND2 HD21 sing N N 52 ASN ND2 HD22 sing N N 53 ASN OXT HXT sing N N 54 ASP N CA sing N N 55 ASP N H sing N N 56 ASP N H2 sing N N 57 ASP CA C sing N N 58 ASP CA CB sing N N 59 ASP CA HA sing N N 60 ASP C O doub N N 61 ASP C OXT sing N N 62 ASP CB CG sing N N 63 ASP CB HB2 sing N N 64 ASP CB HB3 sing N N 65 ASP CG OD1 doub N N 66 ASP CG OD2 sing N N 67 ASP OD2 HD2 sing N N 68 ASP OXT HXT sing N N 69 BMA C1 C2 sing N N 70 BMA C1 O1 sing N N 71 BMA C1 O5 sing N N 72 BMA C1 H1 sing N N 73 BMA C2 C3 sing N N 74 BMA C2 O2 sing N N 75 BMA C2 H2 sing N N 76 BMA C3 C4 sing N N 77 BMA C3 O3 sing N N 78 BMA C3 H3 sing N N 79 BMA C4 C5 sing N N 80 BMA C4 O4 sing N N 81 BMA C4 H4 sing N N 82 BMA C5 C6 sing N N 83 BMA C5 O5 sing N N 84 BMA C5 H5 sing N N 85 BMA C6 O6 sing N N 86 BMA C6 H61 sing N N 87 BMA C6 H62 sing N N 88 BMA O1 HO1 sing N N 89 BMA O2 HO2 sing N N 90 BMA O3 HO3 sing N N 91 BMA O4 HO4 sing N N 92 BMA O6 HO6 sing N N 93 CYS N CA sing N N 94 CYS N H sing N N 95 CYS N H2 sing N N 96 CYS CA C sing N N 97 CYS CA CB sing N N 98 CYS CA HA sing N N 99 CYS C O doub N N 100 CYS C OXT sing N N 101 CYS CB SG sing N N 102 CYS CB HB2 sing N N 103 CYS CB HB3 sing N N 104 CYS SG HG sing N N 105 CYS OXT HXT sing N N 106 DMS S O doub N N 107 DMS S C1 sing N N 108 DMS S C2 sing N N 109 DMS C1 H11 sing N N 110 DMS C1 H12 sing N N 111 DMS C1 H13 sing N N 112 DMS C2 H21 sing N N 113 DMS C2 H22 sing N N 114 DMS C2 H23 sing N N 115 GKZ CL C29 sing N N 116 GKZ C28 C29 doub Y N 117 GKZ C28 C27 sing Y N 118 GKZ C29 C30 sing Y N 119 GKZ C22 C21 sing N N 120 GKZ C22 N17 sing N N 121 GKZ C16 N17 sing N N 122 GKZ C16 C15 sing N N 123 GKZ C27 C26 doub Y N 124 GKZ C21 C20 sing N N 125 GKZ N17 C18 sing N N 126 GKZ C15 O14 sing N N 127 GKZ O14 C10 sing N N 128 GKZ C30 C31 doub Y N 129 GKZ C18 C19 sing N N 130 GKZ C10 C09 doub Y N 131 GKZ C10 C11 sing Y N 132 GKZ C09 C08 sing Y N 133 GKZ C26 C31 sing Y N 134 GKZ C26 C03 sing N N 135 GKZ C11 C12 doub Y N 136 GKZ C20 C19 sing N N 137 GKZ C20 C23 sing N N 138 GKZ C08 C07 doub Y N 139 GKZ O24 C23 doub N N 140 GKZ C12 C07 sing Y N 141 GKZ C12 O13 sing N N 142 GKZ C07 C04 sing N N 143 GKZ C23 N25 sing N N 144 GKZ C03 C04 doub Y N 145 GKZ C03 C02 sing Y N 146 GKZ C04 N05 sing Y N 147 GKZ C02 C01 sing N N 148 GKZ C02 N06 doub Y N 149 GKZ N05 N06 sing Y N 150 GKZ C15 H1 sing N N 151 GKZ C15 H2 sing N N 152 GKZ C20 H3 sing N N 153 GKZ C21 H4 sing N N 154 GKZ C21 H5 sing N N 155 GKZ C22 H6 sing N N 156 GKZ C22 H7 sing N N 157 GKZ C28 H8 sing N N 158 GKZ C01 H9 sing N N 159 GKZ C01 H10 sing N N 160 GKZ C01 H11 sing N N 161 GKZ C08 H12 sing N N 162 GKZ C09 H13 sing N N 163 GKZ C11 H14 sing N N 164 GKZ C16 H15 sing N N 165 GKZ C16 H16 sing N N 166 GKZ C18 H17 sing N N 167 GKZ C18 H18 sing N N 168 GKZ C19 H19 sing N N 169 GKZ C19 H20 sing N N 170 GKZ C27 H21 sing N N 171 GKZ C30 H22 sing N N 172 GKZ C31 H23 sing N N 173 GKZ N05 H24 sing N N 174 GKZ N17 H25 sing N N 175 GKZ N25 H26 sing N N 176 GKZ N25 H27 sing N N 177 GKZ O13 H28 sing N N 178 GLN N CA sing N N 179 GLN N H sing N N 180 GLN N H2 sing N N 181 GLN CA C sing N N 182 GLN CA CB sing N N 183 GLN CA HA sing N N 184 GLN C O doub N N 185 GLN C OXT sing N N 186 GLN CB CG sing N N 187 GLN CB HB2 sing N N 188 GLN CB HB3 sing N N 189 GLN CG CD sing N N 190 GLN CG HG2 sing N N 191 GLN CG HG3 sing N N 192 GLN CD OE1 doub N N 193 GLN CD NE2 sing N N 194 GLN NE2 HE21 sing N N 195 GLN NE2 HE22 sing N N 196 GLN OXT HXT sing N N 197 GLU N CA sing N N 198 GLU N H sing N N 199 GLU N H2 sing N N 200 GLU CA C sing N N 201 GLU CA CB sing N N 202 GLU CA HA sing N N 203 GLU C O doub N N 204 GLU C OXT sing N N 205 GLU CB CG sing N N 206 GLU CB HB2 sing N N 207 GLU CB HB3 sing N N 208 GLU CG CD sing N N 209 GLU CG HG2 sing N N 210 GLU CG HG3 sing N N 211 GLU CD OE1 doub N N 212 GLU CD OE2 sing N N 213 GLU OE2 HE2 sing N N 214 GLU OXT HXT sing N N 215 GLY N CA sing N N 216 GLY N H sing N N 217 GLY N H2 sing N N 218 GLY CA C sing N N 219 GLY CA HA2 sing N N 220 GLY CA HA3 sing N N 221 GLY C O doub N N 222 GLY C OXT sing N N 223 GLY OXT HXT sing N N 224 GOL C1 O1 sing N N 225 GOL C1 C2 sing N N 226 GOL C1 H11 sing N N 227 GOL C1 H12 sing N N 228 GOL O1 HO1 sing N N 229 GOL C2 O2 sing N N 230 GOL C2 C3 sing N N 231 GOL C2 H2 sing N N 232 GOL O2 HO2 sing N N 233 GOL C3 O3 sing N N 234 GOL C3 H31 sing N N 235 GOL C3 H32 sing N N 236 GOL O3 HO3 sing N N 237 HIS N CA sing N N 238 HIS N H sing N N 239 HIS N H2 sing N N 240 HIS CA C sing N N 241 HIS CA CB sing N N 242 HIS CA HA sing N N 243 HIS C O doub N N 244 HIS C OXT sing N N 245 HIS CB CG sing N N 246 HIS CB HB2 sing N N 247 HIS CB HB3 sing N N 248 HIS CG ND1 sing Y N 249 HIS CG CD2 doub Y N 250 HIS ND1 CE1 doub Y N 251 HIS ND1 HD1 sing N N 252 HIS CD2 NE2 sing Y N 253 HIS CD2 HD2 sing N N 254 HIS CE1 NE2 sing Y N 255 HIS CE1 HE1 sing N N 256 HIS NE2 HE2 sing N N 257 HIS OXT HXT sing N N 258 HOH O H1 sing N N 259 HOH O H2 sing N N 260 ILE N CA sing N N 261 ILE N H sing N N 262 ILE N H2 sing N N 263 ILE CA C sing N N 264 ILE CA CB sing N N 265 ILE CA HA sing N N 266 ILE C O doub N N 267 ILE C OXT sing N N 268 ILE CB CG1 sing N N 269 ILE CB CG2 sing N N 270 ILE CB HB sing N N 271 ILE CG1 CD1 sing N N 272 ILE CG1 HG12 sing N N 273 ILE CG1 HG13 sing N N 274 ILE CG2 HG21 sing N N 275 ILE CG2 HG22 sing N N 276 ILE CG2 HG23 sing N N 277 ILE CD1 HD11 sing N N 278 ILE CD1 HD12 sing N N 279 ILE CD1 HD13 sing N N 280 ILE OXT HXT sing N N 281 LEU N CA sing N N 282 LEU N H sing N N 283 LEU N H2 sing N N 284 LEU CA C sing N N 285 LEU CA CB sing N N 286 LEU CA HA sing N N 287 LEU C O doub N N 288 LEU C OXT sing N N 289 LEU CB CG sing N N 290 LEU CB HB2 sing N N 291 LEU CB HB3 sing N N 292 LEU CG CD1 sing N N 293 LEU CG CD2 sing N N 294 LEU CG HG sing N N 295 LEU CD1 HD11 sing N N 296 LEU CD1 HD12 sing N N 297 LEU CD1 HD13 sing N N 298 LEU CD2 HD21 sing N N 299 LEU CD2 HD22 sing N N 300 LEU CD2 HD23 sing N N 301 LEU OXT HXT sing N N 302 LYS N CA sing N N 303 LYS N H sing N N 304 LYS N H2 sing N N 305 LYS CA C sing N N 306 LYS CA CB sing N N 307 LYS CA HA sing N N 308 LYS C O doub N N 309 LYS C OXT sing N N 310 LYS CB CG sing N N 311 LYS CB HB2 sing N N 312 LYS CB HB3 sing N N 313 LYS CG CD sing N N 314 LYS CG HG2 sing N N 315 LYS CG HG3 sing N N 316 LYS CD CE sing N N 317 LYS CD HD2 sing N N 318 LYS CD HD3 sing N N 319 LYS CE NZ sing N N 320 LYS CE HE2 sing N N 321 LYS CE HE3 sing N N 322 LYS NZ HZ1 sing N N 323 LYS NZ HZ2 sing N N 324 LYS NZ HZ3 sing N N 325 LYS OXT HXT sing N N 326 MAN C1 C2 sing N N 327 MAN C1 O1 sing N N 328 MAN C1 O5 sing N N 329 MAN C1 H1 sing N N 330 MAN C2 C3 sing N N 331 MAN C2 O2 sing N N 332 MAN C2 H2 sing N N 333 MAN C3 C4 sing N N 334 MAN C3 O3 sing N N 335 MAN C3 H3 sing N N 336 MAN C4 C5 sing N N 337 MAN C4 O4 sing N N 338 MAN C4 H4 sing N N 339 MAN C5 C6 sing N N 340 MAN C5 O5 sing N N 341 MAN C5 H5 sing N N 342 MAN C6 O6 sing N N 343 MAN C6 H61 sing N N 344 MAN C6 H62 sing N N 345 MAN O1 HO1 sing N N 346 MAN O2 HO2 sing N N 347 MAN O3 HO3 sing N N 348 MAN O4 HO4 sing N N 349 MAN O6 HO6 sing N N 350 MET N CA sing N N 351 MET N H sing N N 352 MET N H2 sing N N 353 MET CA C sing N N 354 MET CA CB sing N N 355 MET CA HA sing N N 356 MET C O doub N N 357 MET C OXT sing N N 358 MET CB CG sing N N 359 MET CB HB2 sing N N 360 MET CB HB3 sing N N 361 MET CG SD sing N N 362 MET CG HG2 sing N N 363 MET CG HG3 sing N N 364 MET SD CE sing N N 365 MET CE HE1 sing N N 366 MET CE HE2 sing N N 367 MET CE HE3 sing N N 368 MET OXT HXT sing N N 369 NAG C1 C2 sing N N 370 NAG C1 O1 sing N N 371 NAG C1 O5 sing N N 372 NAG C1 H1 sing N N 373 NAG C2 C3 sing N N 374 NAG C2 N2 sing N N 375 NAG C2 H2 sing N N 376 NAG C3 C4 sing N N 377 NAG C3 O3 sing N N 378 NAG C3 H3 sing N N 379 NAG C4 C5 sing N N 380 NAG C4 O4 sing N N 381 NAG C4 H4 sing N N 382 NAG C5 C6 sing N N 383 NAG C5 O5 sing N N 384 NAG C5 H5 sing N N 385 NAG C6 O6 sing N N 386 NAG C6 H61 sing N N 387 NAG C6 H62 sing N N 388 NAG C7 C8 sing N N 389 NAG C7 N2 sing N N 390 NAG C7 O7 doub N N 391 NAG C8 H81 sing N N 392 NAG C8 H82 sing N N 393 NAG C8 H83 sing N N 394 NAG N2 HN2 sing N N 395 NAG O1 HO1 sing N N 396 NAG O3 HO3 sing N N 397 NAG O4 HO4 sing N N 398 NAG O6 HO6 sing N N 399 PHE N CA sing N N 400 PHE N H sing N N 401 PHE N H2 sing N N 402 PHE CA C sing N N 403 PHE CA CB sing N N 404 PHE CA HA sing N N 405 PHE C O doub N N 406 PHE C OXT sing N N 407 PHE CB CG sing N N 408 PHE CB HB2 sing N N 409 PHE CB HB3 sing N N 410 PHE CG CD1 doub Y N 411 PHE CG CD2 sing Y N 412 PHE CD1 CE1 sing Y N 413 PHE CD1 HD1 sing N N 414 PHE CD2 CE2 doub Y N 415 PHE CD2 HD2 sing N N 416 PHE CE1 CZ doub Y N 417 PHE CE1 HE1 sing N N 418 PHE CE2 CZ sing Y N 419 PHE CE2 HE2 sing N N 420 PHE CZ HZ sing N N 421 PHE OXT HXT sing N N 422 PRO N CA sing N N 423 PRO N CD sing N N 424 PRO N H sing N N 425 PRO CA C sing N N 426 PRO CA CB sing N N 427 PRO CA HA sing N N 428 PRO C O doub N N 429 PRO C OXT sing N N 430 PRO CB CG sing N N 431 PRO CB HB2 sing N N 432 PRO CB HB3 sing N N 433 PRO CG CD sing N N 434 PRO CG HG2 sing N N 435 PRO CG HG3 sing N N 436 PRO CD HD2 sing N N 437 PRO CD HD3 sing N N 438 PRO OXT HXT sing N N 439 SER N CA sing N N 440 SER N H sing N N 441 SER N H2 sing N N 442 SER CA C sing N N 443 SER CA CB sing N N 444 SER CA HA sing N N 445 SER C O doub N N 446 SER C OXT sing N N 447 SER CB OG sing N N 448 SER CB HB2 sing N N 449 SER CB HB3 sing N N 450 SER OG HG sing N N 451 SER OXT HXT sing N N 452 THR N CA sing N N 453 THR N H sing N N 454 THR N H2 sing N N 455 THR CA C sing N N 456 THR CA CB sing N N 457 THR CA HA sing N N 458 THR C O doub N N 459 THR C OXT sing N N 460 THR CB OG1 sing N N 461 THR CB CG2 sing N N 462 THR CB HB sing N N 463 THR OG1 HG1 sing N N 464 THR CG2 HG21 sing N N 465 THR CG2 HG22 sing N N 466 THR CG2 HG23 sing N N 467 THR OXT HXT sing N N 468 TRP N CA sing N N 469 TRP N H sing N N 470 TRP N H2 sing N N 471 TRP CA C sing N N 472 TRP CA CB sing N N 473 TRP CA HA sing N N 474 TRP C O doub N N 475 TRP C OXT sing N N 476 TRP CB CG sing N N 477 TRP CB HB2 sing N N 478 TRP CB HB3 sing N N 479 TRP CG CD1 doub Y N 480 TRP CG CD2 sing Y N 481 TRP CD1 NE1 sing Y N 482 TRP CD1 HD1 sing N N 483 TRP CD2 CE2 doub Y N 484 TRP CD2 CE3 sing Y N 485 TRP NE1 CE2 sing Y N 486 TRP NE1 HE1 sing N N 487 TRP CE2 CZ2 sing Y N 488 TRP CE3 CZ3 doub Y N 489 TRP CE3 HE3 sing N N 490 TRP CZ2 CH2 doub Y N 491 TRP CZ2 HZ2 sing N N 492 TRP CZ3 CH2 sing Y N 493 TRP CZ3 HZ3 sing N N 494 TRP CH2 HH2 sing N N 495 TRP OXT HXT sing N N 496 TYR N CA sing N N 497 TYR N H sing N N 498 TYR N H2 sing N N 499 TYR CA C sing N N 500 TYR CA CB sing N N 501 TYR CA HA sing N N 502 TYR C O doub N N 503 TYR C OXT sing N N 504 TYR CB CG sing N N 505 TYR CB HB2 sing N N 506 TYR CB HB3 sing N N 507 TYR CG CD1 doub Y N 508 TYR CG CD2 sing Y N 509 TYR CD1 CE1 sing Y N 510 TYR CD1 HD1 sing N N 511 TYR CD2 CE2 doub Y N 512 TYR CD2 HD2 sing N N 513 TYR CE1 CZ doub Y N 514 TYR CE1 HE1 sing N N 515 TYR CE2 CZ sing Y N 516 TYR CE2 HE2 sing N N 517 TYR CZ OH sing N N 518 TYR OH HH sing N N 519 TYR OXT HXT sing N N 520 VAL N CA sing N N 521 VAL N H sing N N 522 VAL N H2 sing N N 523 VAL CA C sing N N 524 VAL CA CB sing N N 525 VAL CA HA sing N N 526 VAL C O doub N N 527 VAL C OXT sing N N 528 VAL CB CG1 sing N N 529 VAL CB CG2 sing N N 530 VAL CB HB sing N N 531 VAL CG1 HG11 sing N N 532 VAL CG1 HG12 sing N N 533 VAL CG1 HG13 sing N N 534 VAL CG2 HG21 sing N N 535 VAL CG2 HG22 sing N N 536 VAL CG2 HG23 sing N N 537 VAL OXT HXT sing N N 538 # _pdbx_audit_support.funding_organization ? _pdbx_audit_support.country 'United Kingdom' _pdbx_audit_support.grant_number ? _pdbx_audit_support.ordinal 1 # loop_ _pdbx_entity_branch_list.entity_id _pdbx_entity_branch_list.comp_id _pdbx_entity_branch_list.num _pdbx_entity_branch_list.hetero 3 NAG 1 n 3 NAG 2 n 3 BMA 3 n 3 MAN 4 n 3 MAN 5 n # _atom_sites.entry_id 6HRO _atom_sites.fract_transf_matrix[1][1] 0.008687 _atom_sites.fract_transf_matrix[1][2] 0.005015 _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] 0.010030 _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] 0.003238 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CL N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLY A 1 3 ? -74.640 17.995 -10.759 1.00 99.36 ? 30 GLY A N 1 ATOM 2 C CA . GLY A 1 3 ? -73.473 18.593 -10.137 1.00 105.07 ? 30 GLY A CA 1 ATOM 3 C C . GLY A 1 3 ? -72.891 17.760 -9.012 1.00 126.57 ? 30 GLY A C 1 ATOM 4 O O . GLY A 1 3 ? -73.592 16.970 -8.382 1.00 158.88 ? 30 GLY A O 1 ATOM 5 N N . ARG A 1 4 ? -71.597 17.948 -8.764 1.00 110.04 ? 31 ARG A N 1 ATOM 6 C CA . ARG A 1 4 ? -70.886 17.248 -7.703 1.00 119.44 ? 31 ARG A CA 1 ATOM 7 C C . ARG A 1 4 ? -69.627 18.035 -7.372 1.00 115.35 ? 31 ARG A C 1 ATOM 8 O O . ARG A 1 4 ? -69.108 18.783 -8.204 1.00 123.04 ? 31 ARG A O 1 ATOM 9 C CB . ARG A 1 4 ? -70.532 15.811 -8.106 1.00 132.89 ? 31 ARG A CB 1 ATOM 10 C CG . ARG A 1 4 ? -71.424 14.744 -7.494 1.00 136.12 ? 31 ARG A CG 1 ATOM 11 C CD . ARG A 1 4 ? -70.903 13.344 -7.797 1.00 137.24 ? 31 ARG A CD 1 ATOM 12 N NE . ARG A 1 4 ? -69.600 13.098 -7.184 1.00 141.49 ? 31 ARG A NE 1 ATOM 13 C CZ . ARG A 1 4 ? -68.943 11.945 -7.258 1.00 135.91 ? 31 ARG A CZ 1 ATOM 14 N NH1 . ARG A 1 4 ? -67.763 11.812 -6.668 1.00 118.74 ? 31 ARG A NH1 1 ATOM 15 N NH2 . ARG A 1 4 ? -69.466 10.923 -7.922 1.00 136.72 ? 31 ARG A NH2 1 ATOM 16 N N . SER A 1 5 ? -69.144 17.858 -6.146 1.00 98.09 ? 32 SER A N 1 ATOM 17 C CA . SER A 1 5 ? -67.905 18.496 -5.730 1.00 74.37 ? 32 SER A CA 1 ATOM 18 C C . SER A 1 5 ? -66.714 17.693 -6.235 1.00 61.11 ? 32 SER A C 1 ATOM 19 O O . SER A 1 5 ? -66.708 16.460 -6.179 1.00 68.95 ? 32 SER A O 1 ATOM 20 C CB . SER A 1 5 ? -67.846 18.623 -4.208 1.00 80.99 ? 32 SER A CB 1 ATOM 21 O OG . SER A 1 5 ? -66.763 19.443 -3.806 1.00 102.08 ? 32 SER A OG 1 ATOM 22 N N . ILE A 1 6 ? -65.709 18.400 -6.742 1.00 59.71 ? 33 ILE A N 1 ATOM 23 C CA . ILE A 1 6 ? -64.508 17.756 -7.266 1.00 52.65 ? 33 ILE A CA 1 ATOM 24 C C . ILE A 1 6 ? -63.721 17.166 -6.103 1.00 64.18 ? 33 ILE A C 1 ATOM 25 O O . ILE A 1 6 ? -63.282 17.906 -5.211 1.00 63.69 ? 33 ILE A O 1 ATOM 26 C CB . ILE A 1 6 ? -63.655 18.739 -8.083 1.00 59.50 ? 33 ILE A CB 1 ATOM 27 C CG1 . ILE A 1 6 ? -64.425 19.180 -9.332 1.00 57.73 ? 33 ILE A CG1 1 ATOM 28 C CG2 . ILE A 1 6 ? -62.317 18.106 -8.444 1.00 58.26 ? 33 ILE A CG2 1 ATOM 29 C CD1 . ILE A 1 6 ? -63.746 20.274 -10.135 1.00 53.57 ? 33 ILE A CD1 1 ATOM 30 N N . PRO A 1 7 ? -63.527 15.851 -6.066 1.00 70.41 ? 34 PRO A N 1 ATOM 31 C CA . PRO A 1 7 ? -62.856 15.233 -4.919 1.00 68.68 ? 34 PRO A CA 1 ATOM 32 C C . PRO A 1 7 ? -61.374 15.573 -4.870 1.00 64.62 ? 34 PRO A C 1 ATOM 33 O O . PRO A 1 7 ? -60.758 15.983 -5.856 1.00 64.75 ? 34 PRO A O 1 ATOM 34 C CB . PRO A 1 7 ? -63.077 13.733 -5.143 1.00 66.32 ? 34 PRO A CB 1 ATOM 35 C CG . PRO A 1 7 ? -63.299 13.599 -6.611 1.00 63.65 ? 34 PRO A CG 1 ATOM 36 C CD . PRO A 1 7 ? -64.012 14.852 -7.032 1.00 68.86 ? 34 PRO A CD 1 ATOM 37 N N . LEU A 1 8 ? -60.806 15.383 -3.682 1.00 68.86 ? 35 LEU A N 1 ATOM 38 C CA . LEU A 1 8 ? -59.442 15.778 -3.365 1.00 63.15 ? 35 LEU A CA 1 ATOM 39 C C . LEU A 1 8 ? -58.779 14.650 -2.593 1.00 75.50 ? 35 LEU A C 1 ATOM 40 O O . LEU A 1 8 ? -59.367 14.114 -1.648 1.00 66.89 ? 35 LEU A O 1 ATOM 41 C CB . LEU A 1 8 ? -59.443 17.077 -2.550 1.00 68.77 ? 35 LEU A CB 1 ATOM 42 C CG . LEU A 1 8 ? -58.182 17.920 -2.367 1.00 83.62 ? 35 LEU A CG 1 ATOM 43 C CD1 . LEU A 1 8 ? -57.405 18.060 -3.659 1.00 70.24 ? 35 LEU A CD1 1 ATOM 44 C CD2 . LEU A 1 8 ? -58.593 19.292 -1.858 1.00 82.15 ? 35 LEU A CD2 1 ATOM 45 N N . GLY A 1 9 ? -57.567 14.280 -3.004 1.00 65.85 ? 36 GLY A N 1 ATOM 46 C CA . GLY A 1 9 ? -56.864 13.171 -2.384 1.00 58.74 ? 36 GLY A CA 1 ATOM 47 C C . GLY A 1 9 ? -56.006 13.641 -1.220 1.00 76.14 ? 36 GLY A C 1 ATOM 48 O O . GLY A 1 9 ? -55.300 14.642 -1.313 1.00 61.36 ? 36 GLY A O 1 ATOM 49 N N . VAL A 1 10 ? -56.083 12.899 -0.116 1.00 60.67 ? 37 VAL A N 1 ATOM 50 C CA . VAL A 1 10 ? -55.321 13.212 1.086 1.00 65.30 ? 37 VAL A CA 1 ATOM 51 C C . VAL A 1 10 ? -54.912 11.909 1.759 1.00 71.45 ? 37 VAL A C 1 ATOM 52 O O . VAL A 1 10 ? -55.622 10.902 1.692 1.00 84.76 ? 37 VAL A O 1 ATOM 53 C CB . VAL A 1 10 ? -56.120 14.114 2.053 1.00 74.70 ? 37 VAL A CB 1 ATOM 54 C CG1 . VAL A 1 10 ? -57.289 13.348 2.668 1.00 73.81 ? 37 VAL A CG1 1 ATOM 55 C CG2 . VAL A 1 10 ? -55.217 14.680 3.138 1.00 75.91 ? 37 VAL A CG2 1 ATOM 56 N N . ILE A 1 11 ? -53.751 11.936 2.408 1.00 76.19 ? 38 ILE A N 1 ATOM 57 C CA . ILE A 1 11 ? -53.199 10.762 3.076 1.00 86.25 ? 38 ILE A CA 1 ATOM 58 C C . ILE A 1 11 ? -53.572 10.807 4.552 1.00 88.18 ? 38 ILE A C 1 ATOM 59 O O . ILE A 1 11 ? -53.224 11.757 5.263 1.00 83.39 ? 38 ILE A O 1 ATOM 60 C CB . ILE A 1 11 ? -51.675 10.688 2.904 1.00 83.64 ? 38 ILE A CB 1 ATOM 61 C CG1 . ILE A 1 11 ? -51.307 10.461 1.437 1.00 83.98 ? 38 ILE A CG1 1 ATOM 62 C CG2 . ILE A 1 11 ? -51.100 9.583 3.774 1.00 81.34 ? 38 ILE A CG2 1 ATOM 63 C CD1 . ILE A 1 11 ? -49.813 10.492 1.173 1.00 87.25 ? 38 ILE A CD1 1 ATOM 64 N N . HIS A 1 12 ? -54.286 9.782 5.011 1.00 76.05 ? 39 HIS A N 1 ATOM 65 C CA A HIS A 1 12 ? -54.633 9.627 6.416 0.47 80.29 ? 39 HIS A CA 1 ATOM 66 C CA B HIS A 1 12 ? -54.629 9.627 6.418 0.53 80.44 ? 39 HIS A CA 1 ATOM 67 C C . HIS A 1 12 ? -54.436 8.171 6.808 1.00 84.12 ? 39 HIS A C 1 ATOM 68 O O . HIS A 1 12 ? -54.816 7.267 6.062 1.00 89.10 ? 39 HIS A O 1 ATOM 69 C CB A HIS A 1 12 ? -56.080 10.049 6.699 0.47 82.39 ? 39 HIS A CB 1 ATOM 70 C CB B HIS A 1 12 ? -56.073 10.065 6.707 0.53 82.75 ? 39 HIS A CB 1 ATOM 71 C CG A HIS A 1 12 ? -56.285 11.530 6.770 0.47 86.34 ? 39 HIS A CG 1 ATOM 72 C CG B HIS A 1 12 ? -56.432 10.044 8.162 0.53 82.65 ? 39 HIS A CG 1 ATOM 73 N ND1 A HIS A 1 12 ? -57.445 12.136 6.341 0.47 82.71 ? 39 HIS A ND1 1 ATOM 74 N ND1 B HIS A 1 12 ? -55.868 10.902 9.081 0.53 89.42 ? 39 HIS A ND1 1 ATOM 75 C CD2 A HIS A 1 12 ? -55.492 12.523 7.237 0.47 80.80 ? 39 HIS A CD2 1 ATOM 76 C CD2 B HIS A 1 12 ? -57.300 9.269 8.855 0.53 84.17 ? 39 HIS A CD2 1 ATOM 77 C CE1 A HIS A 1 12 ? -57.354 13.440 6.530 0.47 73.77 ? 39 HIS A CE1 1 ATOM 78 C CE1 B HIS A 1 12 ? -56.372 10.657 10.277 0.53 86.37 ? 39 HIS A CE1 1 ATOM 79 N NE2 A HIS A 1 12 ? -56.178 13.701 7.072 0.47 71.84 ? 39 HIS A NE2 1 ATOM 80 N NE2 B HIS A 1 12 ? -57.244 9.671 10.168 0.53 86.47 ? 39 HIS A NE2 1 ATOM 81 N N . ASN A 1 13 ? -53.836 7.956 7.981 1.00 84.21 ? 40 ASN A N 1 ATOM 82 C CA . ASN A 1 13 ? -53.599 6.615 8.521 1.00 87.81 ? 40 ASN A CA 1 ATOM 83 C C . ASN A 1 13 ? -52.878 5.720 7.512 1.00 91.43 ? 40 ASN A C 1 ATOM 84 O O . ASN A 1 13 ? -53.246 4.562 7.298 1.00 99.31 ? 40 ASN A O 1 ATOM 85 C CB . ASN A 1 13 ? -54.910 5.973 8.986 1.00 87.69 ? 40 ASN A CB 1 ATOM 86 C CG . ASN A 1 13 ? -55.458 6.609 10.253 1.00 103.64 ? 40 ASN A CG 1 ATOM 87 O OD1 . ASN A 1 13 ? -54.711 7.178 11.046 1.00 113.66 ? 40 ASN A OD1 1 ATOM 88 N ND2 . ASN A 1 13 ? -56.767 6.500 10.455 1.00 116.73 ? 40 ASN A ND2 1 ATOM 89 N N . SER A 1 14 ? -51.834 6.273 6.886 1.00 88.99 ? 41 SER A N 1 ATOM 90 C CA . SER A 1 14 ? -50.985 5.539 5.941 1.00 87.81 ? 41 SER A CA 1 ATOM 91 C C . SER A 1 14 ? -51.790 4.997 4.763 1.00 88.01 ? 41 SER A C 1 ATOM 92 O O . SER A 1 14 ? -51.556 3.885 4.286 1.00 103.91 ? 41 SER A O 1 ATOM 93 C CB . SER A 1 14 ? -50.223 4.407 6.636 1.00 89.40 ? 41 SER A CB 1 ATOM 94 O OG . SER A 1 14 ? -49.305 4.914 7.588 1.00 104.45 ? 41 SER A OG 1 ATOM 95 N N . ALA A 1 15 ? -52.747 5.789 4.287 1.00 78.78 ? 42 ALA A N 1 ATOM 96 C CA . ALA A 1 15 ? -53.568 5.379 3.159 1.00 81.36 ? 42 ALA A CA 1 ATOM 97 C C . ALA A 1 15 ? -54.162 6.614 2.504 1.00 76.92 ? 42 ALA A C 1 ATOM 98 O O . ALA A 1 15 ? -54.480 7.600 3.177 1.00 89.62 ? 42 ALA A O 1 ATOM 99 C CB . ALA A 1 15 ? -54.678 4.414 3.590 1.00 91.16 ? 42 ALA A CB 1 ATOM 100 N N . LEU A 1 16 ? -54.296 6.547 1.183 1.00 73.10 ? 43 LEU A N 1 ATOM 101 C CA . LEU A 1 16 ? -54.938 7.610 0.428 1.00 74.79 ? 43 LEU A CA 1 ATOM 102 C C . LEU A 1 16 ? -56.450 7.515 0.584 1.00 84.87 ? 43 LEU A C 1 ATOM 103 O O . LEU A 1 16 ? -57.025 6.422 0.564 1.00 81.37 ? 43 LEU A O 1 ATOM 104 C CB . LEU A 1 16 ? -54.555 7.520 -1.053 1.00 70.03 ? 43 LEU A CB 1 ATOM 105 C CG . LEU A 1 16 ? -54.972 8.689 -1.950 1.00 70.11 ? 43 LEU A CG 1 ATOM 106 C CD1 . LEU A 1 16 ? -54.178 9.938 -1.598 1.00 65.93 ? 43 LEU A CD1 1 ATOM 107 C CD2 . LEU A 1 16 ? -54.819 8.349 -3.429 1.00 68.04 ? 43 LEU A CD2 1 ATOM 108 N N . GLN A 1 17 ? -57.090 8.666 0.760 1.00 82.28 ? 44 GLN A N 1 ATOM 109 C CA . GLN A 1 17 ? -58.532 8.748 0.914 1.00 73.02 ? 44 GLN A CA 1 ATOM 110 C C . GLN A 1 17 ? -59.054 9.920 0.099 1.00 81.71 ? 44 GLN A C 1 ATOM 111 O O . GLN A 1 17 ? -58.322 10.866 -0.205 1.00 72.77 ? 44 GLN A O 1 ATOM 112 C CB . GLN A 1 17 ? -58.937 8.904 2.391 1.00 81.35 ? 44 GLN A CB 1 ATOM 113 C CG . GLN A 1 17 ? -58.663 7.666 3.238 1.00 98.93 ? 44 GLN A CG 1 ATOM 114 C CD . GLN A 1 17 ? -58.997 7.859 4.705 1.00 105.10 ? 44 GLN A CD 1 ATOM 115 O OE1 . GLN A 1 17 ? -59.128 8.984 5.185 1.00 125.42 ? 44 GLN A OE1 1 ATOM 116 N NE2 . GLN A 1 17 ? -59.136 6.753 5.426 1.00 126.10 ? 44 GLN A NE2 1 ATOM 117 N N . VAL A 1 18 ? -60.329 9.846 -0.264 1.00 69.84 ? 45 VAL A N 1 ATOM 118 C CA . VAL A 1 18 ? -60.996 10.956 -0.932 1.00 81.99 ? 45 VAL A CA 1 ATOM 119 C C . VAL A 1 18 ? -61.629 11.842 0.130 1.00 87.77 ? 45 VAL A C 1 ATOM 120 O O . VAL A 1 18 ? -62.169 11.357 1.133 1.00 85.66 ? 45 VAL A O 1 ATOM 121 C CB . VAL A 1 18 ? -62.041 10.460 -1.952 1.00 97.78 ? 45 VAL A CB 1 ATOM 122 C CG1 . VAL A 1 18 ? -61.406 9.506 -2.945 1.00 101.56 ? 45 VAL A CG1 1 ATOM 123 C CG2 . VAL A 1 18 ? -63.221 9.801 -1.261 1.00 111.79 ? 45 VAL A CG2 1 ATOM 124 N N . SER A 1 19 ? -61.542 13.149 -0.078 1.00 79.34 ? 46 SER A N 1 ATOM 125 C CA . SER A 1 19 ? -62.117 14.106 0.850 1.00 81.30 ? 46 SER A CA 1 ATOM 126 C C . SER A 1 19 ? -62.287 15.430 0.110 1.00 98.63 ? 46 SER A C 1 ATOM 127 O O . SER A 1 19 ? -62.301 15.463 -1.125 1.00 87.95 ? 46 SER A O 1 ATOM 128 C CB . SER A 1 19 ? -61.242 14.225 2.109 1.00 85.55 ? 46 SER A CB 1 ATOM 129 O OG . SER A 1 19 ? -61.930 14.889 3.152 1.00 101.09 ? 46 SER A OG 1 ATOM 130 N N . ASP A 1 20 ? -62.420 16.516 0.863 1.00 94.89 ? 47 ASP A N 1 ATOM 131 C CA . ASP A 1 20 ? -62.485 17.851 0.286 1.00 97.72 ? 47 ASP A CA 1 ATOM 132 C C . ASP A 1 20 ? -62.043 18.840 1.352 1.00 98.32 ? 47 ASP A C 1 ATOM 133 O O . ASP A 1 20 ? -61.924 18.499 2.532 1.00 84.69 ? 47 ASP A O 1 ATOM 134 C CB . ASP A 1 20 ? -63.889 18.182 -0.229 1.00 101.50 ? 47 ASP A CB 1 ATOM 135 C CG . ASP A 1 20 ? -63.862 19.037 -1.482 1.00 87.53 ? 47 ASP A CG 1 ATOM 136 O OD1 . ASP A 1 20 ? -64.792 18.918 -2.307 1.00 97.01 ? 47 ASP A OD1 1 ATOM 137 O OD2 . ASP A 1 20 ? -62.897 19.811 -1.653 1.00 85.44 ? 47 ASP A OD2 1 ATOM 138 N N . VAL A 1 21 ? -61.807 20.080 0.919 1.00 94.65 ? 48 VAL A N 1 ATOM 139 C CA . VAL A 1 21 ? -61.283 21.096 1.828 1.00 89.15 ? 48 VAL A CA 1 ATOM 140 C C . VAL A 1 21 ? -62.252 21.367 2.969 1.00 89.96 ? 48 VAL A C 1 ATOM 141 O O . VAL A 1 21 ? -61.837 21.768 4.063 1.00 84.05 ? 48 VAL A O 1 ATOM 142 C CB . VAL A 1 21 ? -60.947 22.384 1.054 1.00 89.04 ? 48 VAL A CB 1 ATOM 143 C CG1 . VAL A 1 21 ? -59.638 22.216 0.306 1.00 88.98 ? 48 VAL A CG1 1 ATOM 144 C CG2 . VAL A 1 21 ? -62.067 22.724 0.093 1.00 90.89 ? 48 VAL A CG2 1 ATOM 145 N N . ASP A 1 22 ? -63.547 21.149 2.748 1.00 101.55 ? 49 ASP A N 1 ATOM 146 C CA . ASP A 1 22 ? -64.533 21.379 3.794 1.00 112.60 ? 49 ASP A CA 1 ATOM 147 C C . ASP A 1 22 ? -64.627 20.228 4.787 1.00 107.40 ? 49 ASP A C 1 ATOM 148 O O . ASP A 1 22 ? -65.246 20.394 5.843 1.00 109.91 ? 49 ASP A O 1 ATOM 149 C CB . ASP A 1 22 ? -65.907 21.639 3.170 1.00 113.71 ? 49 ASP A CB 1 ATOM 150 C CG . ASP A 1 22 ? -66.559 20.374 2.644 1.00 121.66 ? 49 ASP A CG 1 ATOM 151 O OD1 . ASP A 1 22 ? -67.409 19.804 3.360 1.00 124.84 ? 49 ASP A OD1 1 ATOM 152 O OD2 . ASP A 1 22 ? -66.214 19.945 1.522 1.00 118.75 ? 49 ASP A OD2 1 ATOM 153 N N . LYS A 1 23 ? -64.023 19.077 4.485 1.00 110.87 ? 50 LYS A N 1 ATOM 154 C CA . LYS A 1 23 ? -64.138 17.883 5.313 1.00 108.39 ? 50 LYS A CA 1 ATOM 155 C C . LYS A 1 23 ? -62.811 17.491 5.958 1.00 114.26 ? 50 LYS A C 1 ATOM 156 O O . LYS A 1 23 ? -62.547 16.305 6.171 1.00 126.14 ? 50 LYS A O 1 ATOM 157 C CB . LYS A 1 23 ? -64.684 16.715 4.493 1.00 106.01 ? 50 LYS A CB 1 ATOM 158 C CG . LYS A 1 23 ? -65.915 17.050 3.674 1.00 113.77 ? 50 LYS A CG 1 ATOM 159 C CD . LYS A 1 23 ? -66.383 15.861 2.853 1.00 110.66 ? 50 LYS A CD 1 ATOM 160 C CE . LYS A 1 23 ? -65.253 15.294 2.018 1.00 121.08 ? 50 LYS A CE 1 ATOM 161 N NZ . LYS A 1 23 ? -65.743 14.384 0.944 1.00 120.28 ? 50 LYS A NZ 1 ATOM 162 N N . LEU A 1 24 ? -61.967 18.468 6.272 1.00 108.08 ? 51 LEU A N 1 ATOM 163 C CA . LEU A 1 24 ? -60.695 18.215 6.932 1.00 100.06 ? 51 LEU A CA 1 ATOM 164 C C . LEU A 1 24 ? -60.751 18.691 8.378 1.00 111.37 ? 51 LEU A C 1 ATOM 165 O O . LEU A 1 24 ? -61.474 19.634 8.713 1.00 126.78 ? 51 LEU A O 1 ATOM 166 C CB . LEU A 1 24 ? -59.541 18.908 6.202 1.00 103.30 ? 51 LEU A CB 1 ATOM 167 C CG . LEU A 1 24 ? -59.164 18.366 4.822 1.00 101.89 ? 51 LEU A CG 1 ATOM 168 C CD1 . LEU A 1 24 ? -58.914 19.512 3.868 1.00 101.80 ? 51 LEU A CD1 1 ATOM 169 C CD2 . LEU A 1 24 ? -57.932 17.479 4.907 1.00 111.35 ? 51 LEU A CD2 1 ATOM 170 N N . VAL A 1 25 ? -59.981 18.023 9.235 1.00 96.74 ? 52 VAL A N 1 ATOM 171 C CA . VAL A 1 25 ? -59.899 18.391 10.643 1.00 102.91 ? 52 VAL A CA 1 ATOM 172 C C . VAL A 1 25 ? -58.793 19.421 10.822 1.00 90.77 ? 52 VAL A C 1 ATOM 173 O O . VAL A 1 25 ? -57.994 19.658 9.909 1.00 103.50 ? 52 VAL A O 1 ATOM 174 C CB . VAL A 1 25 ? -59.668 17.157 11.534 1.00 113.42 ? 52 VAL A CB 1 ATOM 175 C CG1 . VAL A 1 25 ? -60.894 16.258 11.521 1.00 115.90 ? 52 VAL A CG1 1 ATOM 176 C CG2 . VAL A 1 25 ? -58.443 16.390 11.070 1.00 97.06 ? 52 VAL A CG2 1 ATOM 177 N N . CYS A 1 26 ? -58.738 20.041 12.004 1.00 101.99 ? 53 CYS A N 1 ATOM 178 C CA . CYS A 1 26 ? -57.791 21.127 12.238 1.00 101.89 ? 53 CYS A CA 1 ATOM 179 C C . CYS A 1 26 ? -56.341 20.668 12.167 1.00 114.03 ? 53 CYS A C 1 ATOM 180 O O . CYS A 1 26 ? -55.457 21.485 11.884 1.00 118.22 ? 53 CYS A O 1 ATOM 181 C CB . CYS A 1 26 ? -58.058 21.773 13.598 1.00 87.57 ? 53 CYS A CB 1 ATOM 182 S SG . CYS A 1 26 ? -59.558 22.784 13.693 1.00 116.36 ? 53 CYS A SG 1 ATOM 183 N N . ARG A 1 27 ? -56.073 19.385 12.417 1.00 127.41 ? 54 ARG A N 1 ATOM 184 C CA . ARG A 1 27 ? -54.700 18.900 12.390 1.00 116.85 ? 54 ARG A CA 1 ATOM 185 C C . ARG A 1 27 ? -54.148 18.783 10.974 1.00 102.03 ? 54 ARG A C 1 ATOM 186 O O . ARG A 1 27 ? -52.925 18.759 10.804 1.00 113.39 ? 54 ARG A O 1 ATOM 187 C CB . ARG A 1 27 ? -54.605 17.560 13.118 1.00 110.81 ? 54 ARG A CB 1 ATOM 188 C CG . ARG A 1 27 ? -54.559 17.705 14.631 1.00 145.33 ? 54 ARG A CG 1 ATOM 189 C CD . ARG A 1 27 ? -55.597 16.830 15.312 1.00 171.51 ? 54 ARG A CD 1 ATOM 190 N NE . ARG A 1 27 ? -56.953 17.140 14.867 1.00 177.74 ? 54 ARG A NE 1 ATOM 191 C CZ . ARG A 1 27 ? -57.700 18.118 15.368 1.00 175.29 ? 54 ARG A CZ 1 ATOM 192 N NH1 . ARG A 1 27 ? -58.924 18.325 14.900 1.00 175.26 ? 54 ARG A NH1 1 ATOM 193 N NH2 . ARG A 1 27 ? -57.222 18.891 16.334 1.00 161.70 ? 54 ARG A NH2 1 ATOM 194 N N . ASP A 1 28 ? -55.010 18.715 9.961 1.00 105.13 ? 55 ASP A N 1 ATOM 195 C CA . ASP A 1 28 ? -54.544 18.799 8.583 1.00 106.01 ? 55 ASP A CA 1 ATOM 196 C C . ASP A 1 28 ? -54.089 20.222 8.285 1.00 98.22 ? 55 ASP A C 1 ATOM 197 O O . ASP A 1 28 ? -54.796 21.186 8.592 1.00 104.72 ? 55 ASP A O 1 ATOM 198 C CB . ASP A 1 28 ? -55.646 18.378 7.612 1.00 108.32 ? 55 ASP A CB 1 ATOM 199 C CG . ASP A 1 28 ? -55.879 16.882 7.606 1.00 119.83 ? 55 ASP A CG 1 ATOM 200 O OD1 . ASP A 1 28 ? -56.529 16.375 8.542 1.00 123.06 ? 55 ASP A OD1 1 ATOM 201 O OD2 . ASP A 1 28 ? -55.414 16.213 6.659 1.00 123.62 ? 55 ASP A OD2 1 ATOM 202 N N . LYS A 1 29 ? -52.908 20.356 7.687 1.00 84.85 ? 56 LYS A N 1 ATOM 203 C CA . LYS A 1 29 ? -52.268 21.652 7.510 1.00 89.05 ? 56 LYS A CA 1 ATOM 204 C C . LYS A 1 29 ? -51.973 21.897 6.038 1.00 91.12 ? 56 LYS A C 1 ATOM 205 O O . LYS A 1 29 ? -51.419 21.029 5.354 1.00 98.93 ? 56 LYS A O 1 ATOM 206 C CB . LYS A 1 29 ? -50.983 21.734 8.341 1.00 91.00 ? 56 LYS A CB 1 ATOM 207 C CG . LYS A 1 29 ? -50.401 23.133 8.464 1.00 115.60 ? 56 LYS A CG 1 ATOM 208 C CD . LYS A 1 29 ? -49.429 23.236 9.635 1.00 123.41 ? 56 LYS A CD 1 ATOM 209 C CE . LYS A 1 29 ? -48.402 22.116 9.610 1.00 136.99 ? 56 LYS A CE 1 ATOM 210 N NZ . LYS A 1 29 ? -47.084 22.556 10.148 1.00 141.90 ? 56 LYS A NZ 1 ATOM 211 N N . LEU A 1 30 ? -52.355 23.080 5.554 1.00 74.08 ? 57 LEU A N 1 ATOM 212 C CA . LEU A 1 30 ? -52.047 23.541 4.202 1.00 76.11 ? 57 LEU A CA 1 ATOM 213 C C . LEU A 1 30 ? -51.348 24.890 4.323 1.00 79.54 ? 57 LEU A C 1 ATOM 214 O O . LEU A 1 30 ? -51.996 25.903 4.611 1.00 65.24 ? 57 LEU A O 1 ATOM 215 C CB . LEU A 1 30 ? -53.318 23.654 3.356 1.00 70.39 ? 57 LEU A CB 1 ATOM 216 C CG . LEU A 1 30 ? -53.154 24.158 1.921 1.00 76.77 ? 57 LEU A CG 1 ATOM 217 C CD1 . LEU A 1 30 ? -52.454 23.118 1.068 1.00 63.57 ? 57 LEU A CD1 1 ATOM 218 C CD2 . LEU A 1 30 ? -54.504 24.520 1.323 1.00 71.95 ? 57 LEU A CD2 1 ATOM 219 N N . SER A 1 31 ? -50.033 24.910 4.109 1.00 66.62 ? 58 SER A N 1 ATOM 220 C CA . SER A 1 31 ? -49.242 26.111 4.341 1.00 77.59 ? 58 SER A CA 1 ATOM 221 C C . SER A 1 31 ? -48.850 26.862 3.075 1.00 69.77 ? 58 SER A C 1 ATOM 222 O O . SER A 1 31 ? -48.288 27.958 3.182 1.00 68.47 ? 58 SER A O 1 ATOM 223 C CB . SER A 1 31 ? -47.973 25.765 5.142 1.00 82.10 ? 58 SER A CB 1 ATOM 224 O OG . SER A 1 31 ? -47.232 24.728 4.524 1.00 105.41 ? 58 SER A OG 1 ATOM 225 N N . SER A 1 32 ? -49.123 26.319 1.889 1.00 62.85 ? 59 SER A N 1 ATOM 226 C CA . SER A 1 32 ? -48.856 27.040 0.649 1.00 64.28 ? 59 SER A CA 1 ATOM 227 C C . SER A 1 32 ? -49.541 26.319 -0.502 1.00 69.80 ? 59 SER A C 1 ATOM 228 O O . SER A 1 32 ? -49.814 25.117 -0.423 1.00 60.63 ? 59 SER A O 1 ATOM 229 C CB . SER A 1 32 ? -47.352 27.167 0.368 1.00 75.16 ? 59 SER A CB 1 ATOM 230 O OG . SER A 1 32 ? -46.814 25.939 -0.089 1.00 69.87 ? 59 SER A OG 1 ATOM 231 N N . THR A 1 33 ? -49.810 27.071 -1.573 1.00 55.42 ? 60 THR A N 1 ATOM 232 C CA . THR A 1 33 ? -50.401 26.491 -2.773 1.00 63.74 ? 60 THR A CA 1 ATOM 233 C C . THR A 1 33 ? -49.507 25.434 -3.405 1.00 66.71 ? 60 THR A C 1 ATOM 234 O O . THR A 1 33 ? -49.971 24.683 -4.269 1.00 68.10 ? 60 THR A O 1 ATOM 235 C CB . THR A 1 33 ? -50.698 27.583 -3.804 1.00 66.18 ? 60 THR A CB 1 ATOM 236 O OG1 . THR A 1 33 ? -49.511 28.349 -4.044 1.00 74.86 ? 60 THR A OG1 1 ATOM 237 C CG2 . THR A 1 33 ? -51.802 28.501 -3.308 1.00 58.28 ? 60 THR A CG2 1 ATOM 238 N N . ASN A 1 34 ? -48.240 25.359 -2.996 1.00 74.48 ? 61 ASN A N 1 ATOM 239 C CA . ASN A 1 34 ? -47.346 24.342 -3.531 1.00 78.18 ? 61 ASN A CA 1 ATOM 240 C C . ASN A 1 34 ? -47.675 22.950 -3.010 1.00 68.06 ? 61 ASN A C 1 ATOM 241 O O . ASN A 1 34 ? -47.192 21.964 -3.575 1.00 67.32 ? 61 ASN A O 1 ATOM 242 C CB . ASN A 1 34 ? -45.895 24.696 -3.206 1.00 84.75 ? 61 ASN A CB 1 ATOM 243 C CG . ASN A 1 34 ? -45.391 25.887 -4.005 1.00 126.92 ? 61 ASN A CG 1 ATOM 244 O OD1 . ASN A 1 34 ? -45.907 26.196 -5.081 1.00 145.64 ? 61 ASN A OD1 1 ATOM 245 N ND2 . ASN A 1 34 ? -44.371 26.556 -3.484 1.00 137.69 ? 61 ASN A ND2 1 ATOM 246 N N . GLN A 1 35 ? -48.476 22.845 -1.947 1.00 68.75 ? 62 GLN A N 1 ATOM 247 C CA . GLN A 1 35 ? -48.903 21.540 -1.460 1.00 67.70 ? 62 GLN A CA 1 ATOM 248 C C . GLN A 1 35 ? -50.006 20.930 -2.313 1.00 67.18 ? 62 GLN A C 1 ATOM 249 O O . GLN A 1 35 ? -50.273 19.730 -2.191 1.00 77.67 ? 62 GLN A O 1 ATOM 250 C CB . GLN A 1 35 ? -49.383 21.634 -0.009 1.00 64.37 ? 62 GLN A CB 1 ATOM 251 C CG . GLN A 1 35 ? -48.275 21.774 1.022 1.00 72.41 ? 62 GLN A CG 1 ATOM 252 C CD . GLN A 1 35 ? -48.800 21.708 2.446 1.00 79.69 ? 62 GLN A CD 1 ATOM 253 O OE1 . GLN A 1 35 ? -48.649 22.653 3.220 1.00 74.88 ? 62 GLN A OE1 1 ATOM 254 N NE2 . GLN A 1 35 ? -49.419 20.588 2.798 1.00 85.91 ? 62 GLN A NE2 1 ATOM 255 N N . LEU A 1 36 ? -50.653 21.725 -3.161 1.00 63.51 ? 63 LEU A N 1 ATOM 256 C CA . LEU A 1 36 ? -51.706 21.238 -4.038 1.00 63.65 ? 63 LEU A CA 1 ATOM 257 C C . LEU A 1 36 ? -51.123 20.894 -5.402 1.00 64.21 ? 63 LEU A C 1 ATOM 258 O O . LEU A 1 36 ? -50.290 21.631 -5.936 1.00 66.51 ? 63 LEU A O 1 ATOM 259 C CB . LEU A 1 36 ? -52.809 22.286 -4.186 1.00 58.59 ? 63 LEU A CB 1 ATOM 260 C CG . LEU A 1 36 ? -53.499 22.726 -2.893 1.00 59.21 ? 63 LEU A CG 1 ATOM 261 C CD1 . LEU A 1 36 ? -54.301 23.999 -3.119 1.00 58.69 ? 63 LEU A CD1 1 ATOM 262 C CD2 . LEU A 1 36 ? -54.393 21.610 -2.372 1.00 67.03 ? 63 LEU A CD2 1 ATOM 263 N N . ARG A 1 37 ? -51.561 19.766 -5.959 1.00 54.50 ? 64 ARG A N 1 ATOM 264 C CA . ARG A 1 37 ? -51.045 19.293 -7.236 1.00 61.18 ? 64 ARG A CA 1 ATOM 265 C C . ARG A 1 37 ? -52.168 18.692 -8.065 1.00 61.51 ? 64 ARG A C 1 ATOM 266 O O . ARG A 1 37 ? -53.098 18.078 -7.534 1.00 59.99 ? 64 ARG A O 1 ATOM 267 C CB . ARG A 1 37 ? -49.943 18.237 -7.055 1.00 55.41 ? 64 ARG A CB 1 ATOM 268 C CG . ARG A 1 37 ? -48.761 18.674 -6.206 1.00 64.28 ? 64 ARG A CG 1 ATOM 269 C CD . ARG A 1 37 ? -47.917 19.727 -6.906 1.00 61.77 ? 64 ARG A CD 1 ATOM 270 N NE . ARG A 1 37 ? -46.926 20.299 -5.998 1.00 72.42 ? 64 ARG A NE 1 ATOM 271 C CZ . ARG A 1 37 ? -45.782 19.708 -5.671 1.00 81.67 ? 64 ARG A CZ 1 ATOM 272 N NH1 . ARG A 1 37 ? -45.475 18.522 -6.177 1.00 76.56 ? 64 ARG A NH1 1 ATOM 273 N NH2 . ARG A 1 37 ? -44.944 20.304 -4.833 1.00 76.09 ? 64 ARG A NH2 1 ATOM 274 N N . SER A 1 38 ? -52.058 18.865 -9.379 1.00 50.35 ? 65 SER A N 1 ATOM 275 C CA . SER A 1 38 ? -52.923 18.209 -10.349 1.00 56.38 ? 65 SER A CA 1 ATOM 276 C C . SER A 1 38 ? -52.066 17.294 -11.211 1.00 58.59 ? 65 SER A C 1 ATOM 277 O O . SER A 1 38 ? -51.004 17.706 -11.691 1.00 62.62 ? 65 SER A O 1 ATOM 278 C CB . SER A 1 38 ? -53.655 19.233 -11.218 1.00 57.56 ? 65 SER A CB 1 ATOM 279 O OG . SER A 1 38 ? -52.743 20.125 -11.826 1.00 60.82 ? 65 SER A OG 1 ATOM 280 N N . VAL A 1 39 ? -52.517 16.052 -11.390 1.00 54.35 ? 66 VAL A N 1 ATOM 281 C CA . VAL A 1 39 ? -51.731 15.021 -12.055 1.00 61.24 ? 66 VAL A CA 1 ATOM 282 C C . VAL A 1 39 ? -52.613 14.249 -13.023 1.00 62.26 ? 66 VAL A C 1 ATOM 283 O O . VAL A 1 39 ? -53.830 14.145 -12.843 1.00 61.30 ? 66 VAL A O 1 ATOM 284 C CB . VAL A 1 39 ? -51.077 14.057 -11.039 1.00 60.28 ? 66 VAL A CB 1 ATOM 285 C CG1 . VAL A 1 39 ? -50.141 14.813 -10.111 1.00 62.41 ? 66 VAL A CG1 1 ATOM 286 C CG2 . VAL A 1 39 ? -52.147 13.326 -10.243 1.00 60.59 ? 66 VAL A CG2 1 ATOM 287 N N . GLY A 1 40 ? -51.982 13.691 -14.050 1.00 55.27 ? 67 GLY A N 1 ATOM 288 C CA . GLY A 1 40 ? -52.668 12.928 -15.077 1.00 56.06 ? 67 GLY A CA 1 ATOM 289 C C . GLY A 1 40 ? -52.157 11.497 -15.114 1.00 60.11 ? 67 GLY A C 1 ATOM 290 O O . GLY A 1 40 ? -50.956 11.256 -15.226 1.00 59.84 ? 67 GLY A O 1 ATOM 291 N N . LEU A 1 41 ? -53.101 10.557 -15.027 1.00 59.82 ? 68 LEU A N 1 ATOM 292 C CA . LEU A 1 41 ? -52.819 9.129 -15.012 1.00 61.51 ? 68 LEU A CA 1 ATOM 293 C C . LEU A 1 41 ? -53.346 8.498 -16.293 1.00 63.44 ? 68 LEU A C 1 ATOM 294 O O . LEU A 1 41 ? -54.438 8.836 -16.755 1.00 69.04 ? 68 LEU A O 1 ATOM 295 C CB . LEU A 1 41 ? -53.466 8.444 -13.798 1.00 55.66 ? 68 LEU A CB 1 ATOM 296 C CG . LEU A 1 41 ? -52.927 8.643 -12.372 1.00 63.88 ? 68 LEU A CG 1 ATOM 297 C CD1 . LEU A 1 41 ? -51.490 8.150 -12.252 1.00 56.62 ? 68 LEU A CD1 1 ATOM 298 C CD2 . LEU A 1 41 ? -53.043 10.087 -11.891 1.00 59.65 ? 68 LEU A CD2 1 ATOM 299 N N . ASN A 1 42 ? -52.579 7.563 -16.856 1.00 55.45 ? 69 ASN A N 1 ATOM 300 C CA . ASN A 1 42 ? -52.883 6.979 -18.155 1.00 60.50 ? 69 ASN A CA 1 ATOM 301 C C . ASN A 1 42 ? -53.789 5.764 -18.014 1.00 67.69 ? 69 ASN A C 1 ATOM 302 O O . ASN A 1 42 ? -53.608 4.942 -17.113 1.00 61.29 ? 69 ASN A O 1 ATOM 303 C CB . ASN A 1 42 ? -51.591 6.576 -18.868 1.00 54.92 ? 69 ASN A CB 1 ATOM 304 C CG . ASN A 1 42 ? -50.675 7.754 -19.122 1.00 77.12 ? 69 ASN A CG 1 ATOM 305 O OD1 . ASN A 1 42 ? -51.132 8.893 -19.257 1.00 64.61 ? 69 ASN A OD1 1 ATOM 306 N ND2 . ASN A 1 42 ? -49.378 7.489 -19.197 1.00 57.34 ? 69 ASN A ND2 1 ATOM 307 N N . LEU A 1 43 ? -54.762 5.653 -18.929 1.00 56.24 ? 70 LEU A N 1 ATOM 308 C CA . LEU A 1 43 ? -55.640 4.486 -18.956 1.00 64.56 ? 70 LEU A CA 1 ATOM 309 C C . LEU A 1 43 ? -54.847 3.198 -19.118 1.00 71.87 ? 70 LEU A C 1 ATOM 310 O O . LEU A 1 43 ? -55.316 2.128 -18.714 1.00 67.30 ? 70 LEU A O 1 ATOM 311 C CB . LEU A 1 43 ? -56.663 4.607 -20.084 1.00 62.07 ? 70 LEU A CB 1 ATOM 312 C CG . LEU A 1 43 ? -57.808 5.625 -20.006 1.00 69.80 ? 70 LEU A CG 1 ATOM 313 C CD1 . LEU A 1 43 ? -58.892 5.286 -21.032 1.00 67.49 ? 70 LEU A CD1 1 ATOM 314 C CD2 . LEU A 1 43 ? -58.400 5.688 -18.608 1.00 72.45 ? 70 LEU A CD2 1 ATOM 315 N N . GLU A 1 44 ? -53.666 3.284 -19.738 1.00 73.45 ? 71 GLU A N 1 ATOM 316 C CA . GLU A 1 44 ? -52.769 2.138 -19.865 1.00 81.31 ? 71 GLU A CA 1 ATOM 317 C C . GLU A 1 44 ? -52.615 1.400 -18.542 1.00 73.07 ? 71 GLU A C 1 ATOM 318 O O . GLU A 1 44 ? -52.705 0.168 -18.484 1.00 59.92 ? 71 GLU A O 1 ATOM 319 C CB . GLU A 1 44 ? -51.405 2.613 -20.358 1.00 71.92 ? 71 GLU A CB 1 ATOM 320 C CG . GLU A 1 44 ? -51.098 2.331 -21.812 1.00 91.62 ? 71 GLU A CG 1 ATOM 321 C CD . GLU A 1 44 ? -49.690 2.749 -22.170 1.00 83.38 ? 71 GLU A CD 1 ATOM 322 O OE1 . GLU A 1 44 ? -48.988 3.267 -21.278 1.00 74.69 ? 71 GLU A OE1 1 ATOM 323 O OE2 . GLU A 1 44 ? -49.284 2.565 -23.334 1.00 104.06 ? 71 GLU A OE2 1 ATOM 324 N N . GLY A 1 45 ? -52.388 2.145 -17.461 1.00 58.58 ? 72 GLY A N 1 ATOM 325 C CA . GLY A 1 45 ? -52.126 1.587 -16.147 1.00 70.12 ? 72 GLY A CA 1 ATOM 326 C C . GLY A 1 45 ? -53.290 0.873 -15.496 1.00 68.99 ? 72 GLY A C 1 ATOM 327 O O . GLY A 1 45 ? -53.119 0.318 -14.406 1.00 72.19 ? 72 GLY A O 1 ATOM 328 N N . ASN A 1 46 ? -54.462 0.872 -16.121 1.00 66.12 ? 73 ASN A N 1 ATOM 329 C CA . ASN A 1 46 ? -55.627 0.181 -15.592 1.00 64.67 ? 73 ASN A CA 1 ATOM 330 C C . ASN A 1 46 ? -55.935 -1.109 -16.344 1.00 66.09 ? 73 ASN A C 1 ATOM 331 O O . ASN A 1 46 ? -56.894 -1.802 -15.990 1.00 76.09 ? 73 ASN A O 1 ATOM 332 C CB . ASN A 1 46 ? -56.849 1.102 -15.613 1.00 63.61 ? 73 ASN A CB 1 ATOM 333 C CG . ASN A 1 46 ? -56.637 2.380 -14.817 1.00 60.89 ? 73 ASN A CG 1 ATOM 334 O OD1 . ASN A 1 46 ? -55.830 2.420 -13.887 1.00 63.23 ? 73 ASN A OD1 1 ATOM 335 N ND2 . ASN A 1 46 ? -57.370 3.429 -15.176 1.00 56.23 ? 73 ASN A ND2 1 ATOM 336 N N . GLY A 1 47 ? -55.157 -1.442 -17.370 1.00 68.55 ? 74 GLY A N 1 ATOM 337 C CA . GLY A 1 47 ? -55.287 -2.704 -18.060 1.00 71.26 ? 74 GLY A CA 1 ATOM 338 C C . GLY A 1 47 ? -56.042 -2.672 -19.367 1.00 70.05 ? 74 GLY A C 1 ATOM 339 O O . GLY A 1 47 ? -56.330 -3.742 -19.919 1.00 81.21 ? 74 GLY A O 1 ATOM 340 N N . VAL A 1 48 ? -56.374 -1.488 -19.884 1.00 63.73 ? 75 VAL A N 1 ATOM 341 C CA . VAL A 1 48 ? -57.148 -1.412 -21.115 1.00 63.46 ? 75 VAL A CA 1 ATOM 342 C C . VAL A 1 48 ? -56.306 -1.903 -22.285 1.00 73.49 ? 75 VAL A C 1 ATOM 343 O O . VAL A 1 48 ? -55.073 -1.772 -22.300 1.00 75.90 ? 75 VAL A O 1 ATOM 344 C CB . VAL A 1 48 ? -57.655 0.022 -21.360 1.00 63.92 ? 75 VAL A CB 1 ATOM 345 C CG1 . VAL A 1 48 ? -58.483 0.499 -20.176 1.00 60.78 ? 75 VAL A CG1 1 ATOM 346 C CG2 . VAL A 1 48 ? -56.488 0.965 -21.631 1.00 59.47 ? 75 VAL A CG2 1 ATOM 347 N N . ALA A 1 49 ? -56.978 -2.491 -23.272 1.00 69.92 ? 76 ALA A N 1 ATOM 348 C CA . ALA A 1 49 ? -56.303 -2.871 -24.503 1.00 72.18 ? 76 ALA A CA 1 ATOM 349 C C . ALA A 1 49 ? -55.818 -1.621 -25.227 1.00 69.89 ? 76 ALA A C 1 ATOM 350 O O . ALA A 1 49 ? -56.529 -0.617 -25.313 1.00 67.34 ? 76 ALA A O 1 ATOM 351 C CB . ALA A 1 49 ? -57.242 -3.684 -25.398 1.00 62.41 ? 76 ALA A CB 1 ATOM 352 N N . THR A 1 50 ? -54.587 -1.677 -25.737 1.00 64.83 ? 77 THR A N 1 ATOM 353 C CA . THR A 1 50 ? -53.951 -0.508 -26.325 1.00 73.70 ? 77 THR A CA 1 ATOM 354 C C . THR A 1 50 ? -53.712 -0.624 -27.822 1.00 82.60 ? 77 THR A C 1 ATOM 355 O O . THR A 1 50 ? -53.230 0.338 -28.427 1.00 62.81 ? 77 THR A O 1 ATOM 356 C CB . THR A 1 50 ? -52.615 -0.224 -25.626 1.00 76.02 ? 77 THR A CB 1 ATOM 357 O OG1 . THR A 1 50 ? -51.775 -1.383 -25.704 1.00 74.63 ? 77 THR A OG1 1 ATOM 358 C CG2 . THR A 1 50 ? -52.853 0.127 -24.167 1.00 59.88 ? 77 THR A CG2 1 ATOM 359 N N . ASP A 1 51 ? -54.023 -1.767 -28.429 1.00 54.71 ? 78 ASP A N 1 ATOM 360 C CA . ASP A 1 51 ? -53.863 -1.913 -29.869 1.00 65.64 ? 78 ASP A CA 1 ATOM 361 C C . ASP A 1 51 ? -54.776 -0.934 -30.598 1.00 70.54 ? 78 ASP A C 1 ATOM 362 O O . ASP A 1 51 ? -55.812 -0.511 -30.079 1.00 65.80 ? 78 ASP A O 1 ATOM 363 C CB . ASP A 1 51 ? -54.168 -3.349 -30.296 1.00 64.50 ? 78 ASP A CB 1 ATOM 364 C CG . ASP A 1 51 ? -55.554 -3.795 -29.877 1.00 79.98 ? 78 ASP A CG 1 ATOM 365 O OD1 . ASP A 1 51 ? -56.477 -3.748 -30.718 1.00 86.01 ? 78 ASP A OD1 1 ATOM 366 O OD2 . ASP A 1 51 ? -55.726 -4.174 -28.700 1.00 83.74 ? 78 ASP A OD2 1 ATOM 367 N N . VAL A 1 52 ? -54.375 -0.573 -31.819 1.00 77.33 ? 79 VAL A N 1 ATOM 368 C CA . VAL A 1 52 ? -55.110 0.447 -32.569 1.00 72.39 ? 79 VAL A CA 1 ATOM 369 C C . VAL A 1 52 ? -56.570 0.074 -32.801 1.00 69.87 ? 79 VAL A C 1 ATOM 370 O O . VAL A 1 52 ? -57.439 0.943 -32.620 1.00 73.51 ? 79 VAL A O 1 ATOM 371 C CB . VAL A 1 52 ? -54.364 0.779 -33.876 1.00 77.20 ? 79 VAL A CB 1 ATOM 372 C CG1 . VAL A 1 52 ? -55.283 1.524 -34.828 1.00 67.96 ? 79 VAL A CG1 1 ATOM 373 C CG2 . VAL A 1 52 ? -53.141 1.625 -33.573 1.00 61.77 ? 79 VAL A CG2 1 ATOM 374 N N . PRO A 1 53 ? -56.917 -1.160 -33.197 1.00 68.28 ? 80 PRO A N 1 ATOM 375 C CA . PRO A 1 53 ? -58.346 -1.473 -33.381 1.00 72.60 ? 80 PRO A CA 1 ATOM 376 C C . PRO A 1 53 ? -59.177 -1.309 -32.120 1.00 77.24 ? 80 PRO A C 1 ATOM 377 O O . PRO A 1 53 ? -60.293 -0.776 -32.182 1.00 89.05 ? 80 PRO A O 1 ATOM 378 C CB . PRO A 1 53 ? -58.322 -2.933 -33.856 1.00 74.57 ? 80 PRO A CB 1 ATOM 379 C CG . PRO A 1 53 ? -57.003 -3.086 -34.497 1.00 72.90 ? 80 PRO A CG 1 ATOM 380 C CD . PRO A 1 53 ? -56.063 -2.262 -33.675 1.00 70.08 ? 80 PRO A CD 1 ATOM 381 N N . SER A 1 54 ? -58.661 -1.751 -30.970 1.00 69.96 ? 81 SER A N 1 ATOM 382 C CA . SER A 1 54 ? -59.416 -1.633 -29.727 1.00 72.71 ? 81 SER A CA 1 ATOM 383 C C . SER A 1 54 ? -59.518 -0.182 -29.273 1.00 71.11 ? 81 SER A C 1 ATOM 384 O O . SER A 1 54 ? -60.583 0.258 -28.825 1.00 75.00 ? 81 SER A O 1 ATOM 385 C CB . SER A 1 54 ? -58.770 -2.489 -28.638 1.00 66.46 ? 81 SER A CB 1 ATOM 386 O OG . SER A 1 54 ? -58.752 -3.857 -29.008 1.00 78.99 ? 81 SER A OG 1 ATOM 387 N N . ALA A 1 55 ? -58.424 0.577 -29.390 1.00 75.50 ? 82 ALA A N 1 ATOM 388 C CA . ALA A 1 55 ? -58.411 1.939 -28.863 1.00 65.89 ? 82 ALA A CA 1 ATOM 389 C C . ALA A 1 55 ? -59.358 2.853 -29.632 1.00 79.55 ? 82 ALA A C 1 ATOM 390 O O . ALA A 1 55 ? -60.082 3.648 -29.026 1.00 72.24 ? 82 ALA A O 1 ATOM 391 C CB . ALA A 1 55 ? -56.989 2.500 -28.890 1.00 69.25 ? 82 ALA A CB 1 ATOM 392 N N . THR A 1 56 ? -59.369 2.759 -30.962 1.00 60.94 ? 83 THR A N 1 ATOM 393 C CA . THR A 1 56 ? -60.199 3.661 -31.751 1.00 71.74 ? 83 THR A CA 1 ATOM 394 C C . THR A 1 56 ? -61.687 3.442 -31.516 1.00 72.36 ? 83 THR A C 1 ATOM 395 O O . THR A 1 56 ? -62.477 4.363 -31.750 1.00 74.32 ? 83 THR A O 1 ATOM 396 C CB . THR A 1 56 ? -59.891 3.516 -33.237 1.00 70.76 ? 83 THR A CB 1 ATOM 397 O OG1 . THR A 1 56 ? -60.126 2.160 -33.642 1.00 67.61 ? 83 THR A OG1 1 ATOM 398 C CG2 . THR A 1 56 ? -58.444 3.886 -33.523 1.00 65.32 ? 83 THR A CG2 1 ATOM 399 N N . LYS A 1 57 ? -62.088 2.254 -31.061 1.00 77.56 ? 84 LYS A N 1 ATOM 400 C CA . LYS A 1 57 ? -63.494 2.011 -30.772 1.00 69.38 ? 84 LYS A CA 1 ATOM 401 C C . LYS A 1 57 ? -63.984 2.770 -29.546 1.00 67.94 ? 84 LYS A C 1 ATOM 402 O O . LYS A 1 57 ? -65.197 2.826 -29.322 1.00 74.49 ? 84 LYS A O 1 ATOM 403 C CB . LYS A 1 57 ? -63.748 0.511 -30.595 1.00 76.40 ? 84 LYS A CB 1 ATOM 404 C CG . LYS A 1 57 ? -63.616 -0.285 -31.881 1.00 87.19 ? 84 LYS A CG 1 ATOM 405 C CD . LYS A 1 57 ? -64.012 -1.736 -31.680 1.00 97.82 ? 84 LYS A CD 1 ATOM 406 C CE . LYS A 1 57 ? -63.955 -2.505 -32.990 1.00 109.17 ? 84 LYS A CE 1 ATOM 407 N NZ . LYS A 1 57 ? -64.398 -3.917 -32.835 1.00 115.78 ? 84 LYS A NZ 1 ATOM 408 N N . ARG A 1 58 ? -63.084 3.353 -28.759 1.00 61.10 ? 85 ARG A N 1 ATOM 409 C CA . ARG A 1 58 ? -63.460 4.145 -27.597 1.00 70.83 ? 85 ARG A CA 1 ATOM 410 C C . ARG A 1 58 ? -63.717 5.608 -27.935 1.00 69.79 ? 85 ARG A C 1 ATOM 411 O O . ARG A 1 58 ? -64.024 6.388 -27.029 1.00 66.98 ? 85 ARG A O 1 ATOM 412 C CB . ARG A 1 58 ? -62.378 4.045 -26.513 1.00 57.20 ? 85 ARG A CB 1 ATOM 413 C CG . ARG A 1 58 ? -62.137 2.623 -26.004 1.00 63.60 ? 85 ARG A CG 1 ATOM 414 C CD . ARG A 1 58 ? -61.304 2.602 -24.722 1.00 64.67 ? 85 ARG A CD 1 ATOM 415 N NE . ARG A 1 58 ? -59.885 2.873 -24.946 1.00 64.69 ? 85 ARG A NE 1 ATOM 416 C CZ . ARG A 1 58 ? -58.965 1.941 -25.172 1.00 73.63 ? 85 ARG A CZ 1 ATOM 417 N NH1 . ARG A 1 58 ? -57.701 2.285 -25.362 1.00 64.21 ? 85 ARG A NH1 1 ATOM 418 N NH2 . ARG A 1 58 ? -59.313 0.660 -25.213 1.00 66.01 ? 85 ARG A NH2 1 ATOM 419 N N . TRP A 1 59 ? -63.601 6.001 -29.204 1.00 65.75 ? 86 TRP A N 1 ATOM 420 C CA . TRP A 1 59 ? -63.740 7.391 -29.618 1.00 65.07 ? 86 TRP A CA 1 ATOM 421 C C . TRP A 1 59 ? -64.828 7.511 -30.678 1.00 66.56 ? 86 TRP A C 1 ATOM 422 O O . TRP A 1 59 ? -65.015 6.607 -31.500 1.00 64.19 ? 86 TRP A O 1 ATOM 423 C CB . TRP A 1 59 ? -62.414 7.936 -30.168 1.00 61.56 ? 86 TRP A CB 1 ATOM 424 C CG . TRP A 1 59 ? -61.210 7.542 -29.361 1.00 59.40 ? 86 TRP A CG 1 ATOM 425 C CD1 . TRP A 1 59 ? -61.135 7.385 -27.999 1.00 61.11 ? 86 TRP A CD1 1 ATOM 426 C CD2 . TRP A 1 59 ? -59.908 7.227 -29.870 1.00 61.58 ? 86 TRP A CD2 1 ATOM 427 N NE1 . TRP A 1 59 ? -59.867 6.999 -27.638 1.00 57.21 ? 86 TRP A NE1 1 ATOM 428 C CE2 . TRP A 1 59 ? -59.094 6.900 -28.766 1.00 64.06 ? 86 TRP A CE2 1 ATOM 429 C CE3 . TRP A 1 59 ? -59.349 7.197 -31.155 1.00 67.74 ? 86 TRP A CE3 1 ATOM 430 C CZ2 . TRP A 1 59 ? -57.753 6.547 -28.906 1.00 58.05 ? 86 TRP A CZ2 1 ATOM 431 C CZ3 . TRP A 1 59 ? -58.016 6.846 -31.293 1.00 56.42 ? 86 TRP A CZ3 1 ATOM 432 C CH2 . TRP A 1 59 ? -57.234 6.523 -30.174 1.00 64.62 ? 86 TRP A CH2 1 ATOM 433 N N . GLY A 1 60 ? -65.545 8.634 -30.662 1.00 68.47 ? 87 GLY A N 1 ATOM 434 C CA . GLY A 1 60 ? -66.634 8.834 -31.602 1.00 56.72 ? 87 GLY A CA 1 ATOM 435 C C . GLY A 1 60 ? -66.941 10.297 -31.827 1.00 74.88 ? 87 GLY A C 1 ATOM 436 O O . GLY A 1 60 ? -66.589 11.160 -31.016 1.00 62.73 ? 87 GLY A O 1 ATOM 437 N N . PHE A 1 61 ? -67.619 10.567 -32.943 1.00 65.78 ? 88 PHE A N 1 ATOM 438 C CA . PHE A 1 61 ? -67.916 11.931 -33.363 1.00 67.76 ? 88 PHE A CA 1 ATOM 439 C C . PHE A 1 61 ? -69.297 12.365 -32.885 1.00 62.51 ? 88 PHE A C 1 ATOM 440 O O . PHE A 1 61 ? -70.246 11.574 -32.876 1.00 64.00 ? 88 PHE A O 1 ATOM 441 C CB . PHE A 1 61 ? -67.829 12.056 -34.887 1.00 66.30 ? 88 PHE A CB 1 ATOM 442 C CG . PHE A 1 61 ? -66.426 11.970 -35.426 1.00 70.65 ? 88 PHE A CG 1 ATOM 443 C CD1 . PHE A 1 61 ? -65.910 10.759 -35.863 1.00 67.16 ? 88 PHE A CD1 1 ATOM 444 C CD2 . PHE A 1 61 ? -65.629 13.103 -35.506 1.00 69.50 ? 88 PHE A CD2 1 ATOM 445 C CE1 . PHE A 1 61 ? -64.623 10.677 -36.362 1.00 66.91 ? 88 PHE A CE1 1 ATOM 446 C CE2 . PHE A 1 61 ? -64.340 13.029 -36.003 1.00 64.66 ? 88 PHE A CE2 1 ATOM 447 C CZ . PHE A 1 61 ? -63.836 11.816 -36.431 1.00 74.07 ? 88 PHE A CZ 1 ATOM 448 N N . ARG A 1 62 ? -69.405 13.638 -32.507 1.00 63.24 ? 89 ARG A N 1 ATOM 449 C CA . ARG A 1 62 ? -70.628 14.189 -31.942 1.00 61.47 ? 89 ARG A CA 1 ATOM 450 C C . ARG A 1 62 ? -70.646 15.695 -32.159 1.00 74.83 ? 89 ARG A C 1 ATOM 451 O O . ARG A 1 62 ? -69.617 16.361 -32.014 1.00 60.78 ? 89 ARG A O 1 ATOM 452 C CB . ARG A 1 62 ? -70.742 13.871 -30.445 1.00 72.37 ? 89 ARG A CB 1 ATOM 453 C CG . ARG A 1 62 ? -71.752 14.728 -29.682 1.00 60.87 ? 89 ARG A CG 1 ATOM 454 C CD . ARG A 1 62 ? -73.178 14.226 -29.861 1.00 65.39 ? 89 ARG A CD 1 ATOM 455 N NE . ARG A 1 62 ? -74.160 15.158 -29.309 1.00 71.88 ? 89 ARG A NE 1 ATOM 456 C CZ . ARG A 1 62 ? -74.514 15.203 -28.029 1.00 74.87 ? 89 ARG A CZ 1 ATOM 457 N NH1 . ARG A 1 62 ? -75.415 16.088 -27.620 1.00 73.60 ? 89 ARG A NH1 1 ATOM 458 N NH2 . ARG A 1 62 ? -73.969 14.366 -27.158 1.00 63.17 ? 89 ARG A NH2 1 ATOM 459 N N . SER A 1 63 ? -71.816 16.226 -32.503 1.00 59.42 ? 90 SER A N 1 ATOM 460 C CA . SER A 1 63 ? -72.013 17.655 -32.688 1.00 57.99 ? 90 SER A CA 1 ATOM 461 C C . SER A 1 63 ? -72.826 18.231 -31.536 1.00 69.56 ? 90 SER A C 1 ATOM 462 O O . SER A 1 63 ? -73.538 17.515 -30.826 1.00 69.04 ? 90 SER A O 1 ATOM 463 C CB . SER A 1 63 ? -72.720 17.950 -34.016 1.00 58.00 ? 90 SER A CB 1 ATOM 464 O OG . SER A 1 63 ? -71.919 17.585 -35.126 1.00 70.67 ? 90 SER A OG 1 ATOM 465 N N . GLY A 1 64 ? -72.713 19.546 -31.360 1.00 65.41 ? 91 GLY A N 1 ATOM 466 C CA . GLY A 1 64 ? -73.526 20.264 -30.403 1.00 56.57 ? 91 GLY A CA 1 ATOM 467 C C . GLY A 1 64 ? -72.914 20.468 -29.035 1.00 65.63 ? 91 GLY A C 1 ATOM 468 O O . GLY A 1 64 ? -73.534 21.133 -28.195 1.00 60.86 ? 91 GLY A O 1 ATOM 469 N N . VAL A 1 65 ? -71.726 19.930 -28.780 1.00 58.21 ? 92 VAL A N 1 ATOM 470 C CA . VAL A 1 65 ? -71.082 20.014 -27.476 1.00 58.62 ? 92 VAL A CA 1 ATOM 471 C C . VAL A 1 65 ? -69.786 20.802 -27.628 1.00 65.11 ? 92 VAL A C 1 ATOM 472 O O . VAL A 1 65 ? -68.885 20.373 -28.354 1.00 60.57 ? 92 VAL A O 1 ATOM 473 C CB . VAL A 1 65 ? -70.804 18.624 -26.878 1.00 67.78 ? 92 VAL A CB 1 ATOM 474 C CG1 . VAL A 1 65 ? -70.113 18.764 -25.536 1.00 62.38 ? 92 VAL A CG1 1 ATOM 475 C CG2 . VAL A 1 65 ? -72.098 17.840 -26.731 1.00 62.22 ? 92 VAL A CG2 1 ATOM 476 N N . PRO A 1 66 ? -69.638 21.950 -26.971 1.00 61.86 ? 93 PRO A N 1 ATOM 477 C CA . PRO A 1 66 ? -68.393 22.722 -27.093 1.00 60.07 ? 93 PRO A CA 1 ATOM 478 C C . PRO A 1 66 ? -67.250 22.039 -26.364 1.00 54.45 ? 93 PRO A C 1 ATOM 479 O O . PRO A 1 66 ? -67.435 21.511 -25.257 1.00 58.80 ? 93 PRO A O 1 ATOM 480 C CB . PRO A 1 66 ? -68.741 24.070 -26.442 1.00 61.55 ? 93 PRO A CB 1 ATOM 481 C CG . PRO A 1 66 ? -70.235 24.120 -26.409 1.00 69.71 ? 93 PRO A CG 1 ATOM 482 C CD . PRO A 1 66 ? -70.679 22.696 -26.244 1.00 63.85 ? 93 PRO A CD 1 ATOM 483 N N . PRO A 1 67 ? -66.056 22.017 -26.952 1.00 58.17 ? 94 PRO A N 1 ATOM 484 C CA . PRO A 1 67 ? -64.910 21.390 -26.281 1.00 59.61 ? 94 PRO A CA 1 ATOM 485 C C . PRO A 1 67 ? -64.449 22.198 -25.076 1.00 59.31 ? 94 PRO A C 1 ATOM 486 O O . PRO A 1 67 ? -64.677 23.405 -24.975 1.00 61.65 ? 94 PRO A O 1 ATOM 487 C CB . PRO A 1 67 ? -63.835 21.355 -27.373 1.00 59.52 ? 94 PRO A CB 1 ATOM 488 C CG . PRO A 1 67 ? -64.248 22.415 -28.356 1.00 70.83 ? 94 PRO A CG 1 ATOM 489 C CD . PRO A 1 67 ? -65.749 22.409 -28.336 1.00 56.72 ? 94 PRO A CD 1 ATOM 490 N N . LYS A 1 68 ? -63.777 21.504 -24.154 1.00 49.58 ? 95 LYS A N 1 ATOM 491 C CA . LYS A 1 68 ? -63.289 22.099 -22.916 1.00 56.35 ? 95 LYS A CA 1 ATOM 492 C C . LYS A 1 68 ? -61.898 21.561 -22.609 1.00 57.25 ? 95 LYS A C 1 ATOM 493 O O . LYS A 1 68 ? -61.570 20.419 -22.943 1.00 58.11 ? 95 LYS A O 1 ATOM 494 C CB . LYS A 1 68 ? -64.234 21.817 -21.737 1.00 48.66 ? 95 LYS A CB 1 ATOM 495 C CG . LYS A 1 68 ? -65.603 22.474 -21.863 1.00 55.32 ? 95 LYS A CG 1 ATOM 496 C CD . LYS A 1 68 ? -65.531 23.958 -21.543 1.00 55.35 ? 95 LYS A CD 1 ATOM 497 C CE . LYS A 1 68 ? -66.760 24.683 -22.056 1.00 57.63 ? 95 LYS A CE 1 ATOM 498 N NZ . LYS A 1 68 ? -68.037 24.106 -21.526 1.00 50.03 ? 95 LYS A NZ 1 ATOM 499 N N . VAL A 1 69 ? -61.084 22.396 -21.957 1.00 54.20 ? 96 VAL A N 1 ATOM 500 C CA . VAL A 1 69 ? -59.682 22.105 -21.668 1.00 48.93 ? 96 VAL A CA 1 ATOM 501 C C . VAL A 1 69 ? -59.387 22.427 -20.210 1.00 66.34 ? 96 VAL A C 1 ATOM 502 O O . VAL A 1 69 ? -59.857 23.438 -19.681 1.00 51.39 ? 96 VAL A O 1 ATOM 503 C CB . VAL A 1 69 ? -58.736 22.894 -22.605 1.00 55.90 ? 96 VAL A CB 1 ATOM 504 C CG1 . VAL A 1 69 ? -57.283 22.785 -22.148 1.00 53.32 ? 96 VAL A CG1 1 ATOM 505 C CG2 . VAL A 1 69 ? -58.876 22.407 -24.034 1.00 57.29 ? 96 VAL A CG2 1 ATOM 506 N N . VAL A 1 70 ? -58.598 21.568 -19.566 1.00 49.13 ? 97 VAL A N 1 ATOM 507 C CA . VAL A 1 70 ? -58.137 21.785 -18.199 1.00 54.15 ? 97 VAL A CA 1 ATOM 508 C C . VAL A 1 70 ? -56.671 21.382 -18.113 1.00 61.09 ? 97 VAL A C 1 ATOM 509 O O . VAL A 1 70 ? -56.245 20.414 -18.752 1.00 53.17 ? 97 VAL A O 1 ATOM 510 C CB . VAL A 1 70 ? -58.992 20.997 -17.176 1.00 56.88 ? 97 VAL A CB 1 ATOM 511 C CG1 . VAL A 1 70 ? -58.917 19.500 -17.460 1.00 60.18 ? 97 VAL A CG1 1 ATOM 512 C CG2 . VAL A 1 70 ? -58.551 21.296 -15.746 1.00 53.31 ? 97 VAL A CG2 1 ATOM 513 N N . ASN A 1 71 ? -55.898 22.128 -17.333 1.00 54.48 ? 98 ASN A N 1 ATOM 514 C CA . ASN A 1 71 ? -54.472 21.870 -17.232 1.00 57.69 ? 98 ASN A CA 1 ATOM 515 C C . ASN A 1 71 ? -54.178 20.848 -16.138 1.00 63.32 ? 98 ASN A C 1 ATOM 516 O O . ASN A 1 71 ? -54.984 20.608 -15.234 1.00 50.96 ? 98 ASN A O 1 ATOM 517 C CB . ASN A 1 71 ? -53.695 23.158 -16.962 1.00 54.70 ? 98 ASN A CB 1 ATOM 518 C CG . ASN A 1 71 ? -53.672 23.535 -15.492 1.00 73.65 ? 98 ASN A CG 1 ATOM 519 O OD1 . ASN A 1 71 ? -54.718 23.644 -14.851 1.00 70.02 ? 98 ASN A OD1 1 ATOM 520 N ND2 . ASN A 1 71 ? -52.472 23.733 -14.949 1.00 55.36 ? 98 ASN A ND2 1 ATOM 521 N N . TYR A 1 72 ? -53.005 20.230 -16.249 1.00 60.43 ? 99 TYR A N 1 ATOM 522 C CA . TYR A 1 72 ? -52.464 19.375 -15.206 1.00 61.78 ? 99 TYR A CA 1 ATOM 523 C C . TYR A 1 72 ? -50.955 19.561 -15.189 1.00 61.02 ? 99 TYR A C 1 ATOM 524 O O . TYR A 1 72 ? -50.348 19.952 -16.188 1.00 57.11 ? 99 TYR A O 1 ATOM 525 C CB . TYR A 1 72 ? -52.847 17.899 -15.409 1.00 57.68 ? 99 TYR A CB 1 ATOM 526 C CG . TYR A 1 72 ? -52.240 17.225 -16.620 1.00 59.00 ? 99 TYR A CG 1 ATOM 527 C CD1 . TYR A 1 72 ? -52.782 17.399 -17.892 1.00 60.57 ? 99 TYR A CD1 1 ATOM 528 C CD2 . TYR A 1 72 ? -51.139 16.384 -16.487 1.00 52.86 ? 99 TYR A CD2 1 ATOM 529 C CE1 . TYR A 1 72 ? -52.232 16.773 -18.993 1.00 55.84 ? 99 TYR A CE1 1 ATOM 530 C CE2 . TYR A 1 72 ? -50.584 15.753 -17.586 1.00 55.01 ? 99 TYR A CE2 1 ATOM 531 C CZ . TYR A 1 72 ? -51.138 15.955 -18.833 1.00 59.22 ? 99 TYR A CZ 1 ATOM 532 O OH . TYR A 1 72 ? -50.604 15.340 -19.938 1.00 49.90 ? 99 TYR A OH 1 ATOM 533 N N . GLU A 1 73 ? -50.348 19.284 -14.035 1.00 58.74 ? 100 GLU A N 1 ATOM 534 C CA . GLU A 1 73 ? -48.969 19.691 -13.792 1.00 59.47 ? 100 GLU A CA 1 ATOM 535 C C . GLU A 1 73 ? -47.940 18.588 -14.002 1.00 62.73 ? 100 GLU A C 1 ATOM 536 O O . GLU A 1 73 ? -46.763 18.901 -14.208 1.00 58.19 ? 100 GLU A O 1 ATOM 537 C CB . GLU A 1 73 ? -48.824 20.237 -12.369 1.00 62.52 ? 100 GLU A CB 1 ATOM 538 C CG . GLU A 1 73 ? -49.721 21.424 -12.080 1.00 67.83 ? 100 GLU A CG 1 ATOM 539 C CD . GLU A 1 73 ? -49.737 21.804 -10.613 1.00 70.29 ? 100 GLU A CD 1 ATOM 540 O OE1 . GLU A 1 73 ? -49.742 23.015 -10.314 1.00 73.11 ? 100 GLU A OE1 1 ATOM 541 O OE2 . GLU A 1 73 ? -49.740 20.895 -9.758 1.00 68.15 ? 100 GLU A OE2 1 ATOM 542 N N . ALA A 1 74 ? -48.336 17.319 -13.942 1.00 58.46 ? 101 ALA A N 1 ATOM 543 C CA . ALA A 1 74 ? -47.378 16.228 -14.058 1.00 55.92 ? 101 ALA A CA 1 ATOM 544 C C . ALA A 1 74 ? -48.093 15.003 -14.605 1.00 65.81 ? 101 ALA A C 1 ATOM 545 O O . ALA A 1 74 ? -49.291 14.816 -14.376 1.00 54.70 ? 101 ALA A O 1 ATOM 546 C CB . ALA A 1 74 ? -46.721 15.914 -12.709 1.00 55.59 ? 101 ALA A CB 1 ATOM 547 N N . GLY A 1 75 ? -47.344 14.164 -15.328 1.00 53.12 ? 102 GLY A N 1 ATOM 548 C CA . GLY A 1 75 ? -47.923 13.012 -15.986 1.00 52.58 ? 102 GLY A CA 1 ATOM 549 C C . GLY A 1 75 ? -47.039 11.782 -15.890 1.00 53.76 ? 102 GLY A C 1 ATOM 550 O O . GLY A 1 75 ? -45.989 11.792 -15.247 1.00 58.46 ? 102 GLY A O 1 ATOM 551 N N . GLU A 1 76 ? -47.488 10.723 -16.558 1.00 57.94 ? 103 GLU A N 1 ATOM 552 C CA . GLU A 1 76 ? -46.860 9.410 -16.506 1.00 61.25 ? 103 GLU A CA 1 ATOM 553 C C . GLU A 1 76 ? -46.280 9.056 -17.869 1.00 60.16 ? 103 GLU A C 1 ATOM 554 O O . GLU A 1 76 ? -46.880 9.365 -18.904 1.00 63.99 ? 103 GLU A O 1 ATOM 555 C CB . GLU A 1 76 ? -47.885 8.355 -16.074 1.00 54.44 ? 103 GLU A CB 1 ATOM 556 C CG . GLU A 1 76 ? -47.387 6.920 -16.035 1.00 72.99 ? 103 GLU A CG 1 ATOM 557 C CD . GLU A 1 76 ? -48.458 5.965 -15.533 1.00 85.99 ? 103 GLU A CD 1 ATOM 558 O OE1 . GLU A 1 76 ? -48.112 4.846 -15.095 1.00 67.14 ? 103 GLU A OE1 1 ATOM 559 O OE2 . GLU A 1 76 ? -49.651 6.343 -15.571 1.00 57.89 ? 103 GLU A OE2 1 ATOM 560 N N . TRP A 1 77 ? -45.104 8.422 -17.871 1.00 59.73 ? 104 TRP A N 1 ATOM 561 C CA . TRP A 1 77 ? -44.516 7.943 -19.118 1.00 59.41 ? 104 TRP A CA 1 ATOM 562 C C . TRP A 1 77 ? -45.457 6.935 -19.767 1.00 69.66 ? 104 TRP A C 1 ATOM 563 O O . TRP A 1 77 ? -45.993 6.050 -19.096 1.00 69.11 ? 104 TRP A O 1 ATOM 564 C CB . TRP A 1 77 ? -43.150 7.301 -18.865 1.00 63.08 ? 104 TRP A CB 1 ATOM 565 C CG . TRP A 1 77 ? -42.055 8.280 -18.550 1.00 77.18 ? 104 TRP A CG 1 ATOM 566 C CD1 . TRP A 1 77 ? -42.091 9.288 -17.627 1.00 67.27 ? 104 TRP A CD1 1 ATOM 567 C CD2 . TRP A 1 77 ? -40.750 8.329 -19.145 1.00 68.20 ? 104 TRP A CD2 1 ATOM 568 N NE1 . TRP A 1 77 ? -40.896 9.968 -17.622 1.00 67.14 ? 104 TRP A NE1 1 ATOM 569 C CE2 . TRP A 1 77 ? -40.055 9.398 -18.541 1.00 69.18 ? 104 TRP A CE2 1 ATOM 570 C CE3 . TRP A 1 77 ? -40.103 7.577 -20.134 1.00 77.29 ? 104 TRP A CE3 1 ATOM 571 C CZ2 . TRP A 1 77 ? -38.746 9.731 -18.892 1.00 66.56 ? 104 TRP A CZ2 1 ATOM 572 C CZ3 . TRP A 1 77 ? -38.802 7.910 -20.483 1.00 71.23 ? 104 TRP A CZ3 1 ATOM 573 C CH2 . TRP A 1 77 ? -38.139 8.977 -19.862 1.00 76.93 ? 104 TRP A CH2 1 ATOM 574 N N . ALA A 1 78 ? -45.676 7.077 -21.067 1.00 64.55 ? 105 ALA A N 1 ATOM 575 C CA . ALA A 1 78 ? -46.635 6.250 -21.781 1.00 63.45 ? 105 ALA A CA 1 ATOM 576 C C . ALA A 1 78 ? -45.915 5.252 -22.678 1.00 72.80 ? 105 ALA A C 1 ATOM 577 O O . ALA A 1 78 ? -44.874 5.561 -23.259 1.00 67.63 ? 105 ALA A O 1 ATOM 578 C CB . ALA A 1 78 ? -47.596 7.099 -22.612 1.00 55.14 ? 105 ALA A CB 1 ATOM 579 N N . GLU A 1 79 ? -46.480 4.049 -22.780 1.00 68.10 ? 106 GLU A N 1 ATOM 580 C CA . GLU A 1 79 ? -45.985 3.090 -23.761 1.00 72.21 ? 106 GLU A CA 1 ATOM 581 C C . GLU A 1 79 ? -46.649 3.306 -25.115 1.00 70.62 ? 106 GLU A C 1 ATOM 582 O O . GLU A 1 79 ? -45.992 3.192 -26.157 1.00 69.67 ? 106 GLU A O 1 ATOM 583 C CB . GLU A 1 79 ? -46.210 1.663 -23.270 1.00 73.43 ? 106 GLU A CB 1 ATOM 584 C CG . GLU A 1 79 ? -45.067 1.105 -22.441 1.00 83.33 ? 106 GLU A CG 1 ATOM 585 C CD . GLU A 1 79 ? -44.037 0.370 -23.275 1.00 84.09 ? 106 GLU A CD 1 ATOM 586 O OE1 . GLU A 1 79 ? -44.425 -0.536 -24.042 1.00 94.21 ? 106 GLU A OE1 1 ATOM 587 O OE2 . GLU A 1 79 ? -42.839 0.700 -23.163 1.00 101.76 ? 106 GLU A OE2 1 ATOM 588 N N . ASN A 1 80 ? -47.939 3.635 -25.116 1.00 61.45 ? 107 ASN A N 1 ATOM 589 C CA . ASN A 1 80 ? -48.717 3.805 -26.335 1.00 78.49 ? 107 ASN A CA 1 ATOM 590 C C . ASN A 1 80 ? -49.332 5.196 -26.371 1.00 69.39 ? 107 ASN A C 1 ATOM 591 O O . ASN A 1 80 ? -49.992 5.615 -25.414 1.00 65.51 ? 107 ASN A O 1 ATOM 592 C CB . ASN A 1 80 ? -49.820 2.747 -26.436 1.00 61.27 ? 107 ASN A CB 1 ATOM 593 C CG . ASN A 1 80 ? -49.277 1.330 -26.466 1.00 66.86 ? 107 ASN A CG 1 ATOM 594 O OD1 . ASN A 1 80 ? -48.952 0.796 -27.532 1.00 66.42 ? 107 ASN A OD1 1 ATOM 595 N ND2 . ASN A 1 80 ? -49.187 0.708 -25.295 1.00 63.03 ? 107 ASN A ND2 1 ATOM 596 N N . CYS A 1 81 ? -49.110 5.904 -27.479 1.00 66.82 ? 108 CYS A N 1 ATOM 597 C CA . CYS A 1 81 ? -49.758 7.168 -27.795 1.00 64.35 ? 108 CYS A CA 1 ATOM 598 C C . CYS A 1 81 ? -50.325 7.078 -29.206 1.00 70.44 ? 108 CYS A C 1 ATOM 599 O O . CYS A 1 81 ? -50.051 6.130 -29.946 1.00 66.57 ? 108 CYS A O 1 ATOM 600 C CB . CYS A 1 81 ? -48.787 8.349 -27.685 1.00 58.48 ? 108 CYS A CB 1 ATOM 601 S SG . CYS A 1 81 ? -48.159 8.646 -26.011 1.00 68.13 ? 108 CYS A SG 1 ATOM 602 N N . TYR A 1 82 ? -51.112 8.082 -29.589 1.00 61.22 ? 109 TYR A N 1 ATOM 603 C CA . TYR A 1 82 ? -51.821 8.038 -30.860 1.00 66.37 ? 109 TYR A CA 1 ATOM 604 C C . TYR A 1 82 ? -51.817 9.412 -31.518 1.00 76.50 ? 109 TYR A C 1 ATOM 605 O O . TYR A 1 82 ? -51.813 10.446 -30.844 1.00 59.16 ? 109 TYR A O 1 ATOM 606 C CB . TYR A 1 82 ? -53.258 7.533 -30.666 1.00 65.40 ? 109 TYR A CB 1 ATOM 607 C CG . TYR A 1 82 ? -53.329 6.255 -29.859 1.00 62.62 ? 109 TYR A CG 1 ATOM 608 C CD1 . TYR A 1 82 ? -53.188 5.015 -30.473 1.00 61.23 ? 109 TYR A CD1 1 ATOM 609 C CD2 . TYR A 1 82 ? -53.516 6.287 -28.476 1.00 63.56 ? 109 TYR A CD2 1 ATOM 610 C CE1 . TYR A 1 82 ? -53.243 3.845 -29.742 1.00 57.32 ? 109 TYR A CE1 1 ATOM 611 C CE2 . TYR A 1 82 ? -53.570 5.120 -27.734 1.00 61.83 ? 109 TYR A CE2 1 ATOM 612 C CZ . TYR A 1 82 ? -53.434 3.903 -28.374 1.00 72.22 ? 109 TYR A CZ 1 ATOM 613 O OH . TYR A 1 82 ? -53.487 2.730 -27.654 1.00 65.02 ? 109 TYR A OH 1 ATOM 614 N N . ASN A 1 83 ? -51.836 9.400 -32.851 1.00 64.95 ? 110 ASN A N 1 ATOM 615 C CA . ASN A 1 83 ? -51.717 10.608 -33.664 1.00 59.71 ? 110 ASN A CA 1 ATOM 616 C C . ASN A 1 83 ? -52.510 10.380 -34.943 1.00 63.47 ? 110 ASN A C 1 ATOM 617 O O . ASN A 1 83 ? -52.160 9.498 -35.732 1.00 62.94 ? 110 ASN A O 1 ATOM 618 C CB . ASN A 1 83 ? -50.242 10.903 -33.967 1.00 54.91 ? 110 ASN A CB 1 ATOM 619 C CG . ASN A 1 83 ? -50.041 12.196 -34.732 1.00 65.82 ? 110 ASN A CG 1 ATOM 620 O OD1 . ASN A 1 83 ? -50.561 12.375 -35.832 1.00 65.37 ? 110 ASN A OD1 1 ATOM 621 N ND2 . ASN A 1 83 ? -49.271 13.108 -34.148 1.00 55.77 ? 110 ASN A ND2 1 ATOM 622 N N . LEU A 1 84 ? -53.565 11.169 -35.159 1.00 60.96 ? 111 LEU A N 1 ATOM 623 C CA . LEU A 1 84 ? -54.577 10.866 -36.167 1.00 66.72 ? 111 LEU A CA 1 ATOM 624 C C . LEU A 1 84 ? -54.610 11.920 -37.266 1.00 75.22 ? 111 LEU A C 1 ATOM 625 O O . LEU A 1 84 ? -54.607 13.122 -36.981 1.00 71.38 ? 111 LEU A O 1 ATOM 626 C CB . LEU A 1 84 ? -55.965 10.756 -35.530 1.00 59.20 ? 111 LEU A CB 1 ATOM 627 C CG . LEU A 1 84 ? -56.186 9.734 -34.416 1.00 67.90 ? 111 LEU A CG 1 ATOM 628 C CD1 . LEU A 1 84 ? -57.667 9.662 -34.068 1.00 64.60 ? 111 LEU A CD1 1 ATOM 629 C CD2 . LEU A 1 84 ? -55.661 8.369 -34.828 1.00 67.05 ? 111 LEU A CD2 1 ATOM 630 N N . GLU A 1 85 ? -54.678 11.456 -38.527 1.00 65.89 ? 112 GLU A N 1 ATOM 631 C CA . GLU A 1 85 ? -54.865 12.303 -39.713 1.00 65.59 ? 112 GLU A CA 1 ATOM 632 C C . GLU A 1 85 ? -55.999 11.685 -40.536 1.00 75.33 ? 112 GLU A C 1 ATOM 633 O O . GLU A 1 85 ? -55.748 10.930 -41.478 1.00 69.40 ? 112 GLU A O 1 ATOM 634 C CB . GLU A 1 85 ? -53.572 12.414 -40.541 1.00 68.16 ? 112 GLU A CB 1 ATOM 635 C CG . GLU A 1 85 ? -52.413 13.107 -39.842 1.00 82.47 ? 112 GLU A CG 1 ATOM 636 C CD . GLU A 1 85 ? -52.444 14.614 -40.009 1.00 95.70 ? 112 GLU A CD 1 ATOM 637 O OE1 . GLU A 1 85 ? -53.370 15.120 -40.680 1.00 96.80 ? 112 GLU A OE1 1 ATOM 638 O OE2 . GLU A 1 85 ? -51.539 15.289 -39.473 1.00 88.01 ? 112 GLU A OE2 1 ATOM 639 N N . ILE A 1 86 ? -57.242 12.013 -40.188 1.00 69.28 ? 113 ILE A N 1 ATOM 640 C CA . ILE A 1 86 ? -58.420 11.414 -40.809 1.00 69.50 ? 113 ILE A CA 1 ATOM 641 C C . ILE A 1 86 ? -59.124 12.466 -41.655 1.00 81.19 ? 113 ILE A C 1 ATOM 642 O O . ILE A 1 86 ? -59.323 13.602 -41.211 1.00 75.72 ? 113 ILE A O 1 ATOM 643 C CB . ILE A 1 86 ? -59.378 10.825 -39.758 1.00 76.10 ? 113 ILE A CB 1 ATOM 644 C CG1 . ILE A 1 86 ? -58.620 9.931 -38.775 1.00 69.36 ? 113 ILE A CG1 1 ATOM 645 C CG2 . ILE A 1 86 ? -60.490 10.032 -40.438 1.00 76.51 ? 113 ILE A CG2 1 ATOM 646 C CD1 . ILE A 1 86 ? -57.954 8.740 -39.428 1.00 70.21 ? 113 ILE A CD1 1 ATOM 647 N N . LYS A 1 87 ? -59.507 12.080 -42.871 1.00 68.76 ? 114 LYS A N 1 ATOM 648 C CA . LYS A 1 87 ? -60.267 12.922 -43.780 1.00 76.87 ? 114 LYS A CA 1 ATOM 649 C C . LYS A 1 87 ? -61.545 12.207 -44.195 1.00 73.52 ? 114 LYS A C 1 ATOM 650 O O . LYS A 1 87 ? -61.674 10.989 -44.050 1.00 78.81 ? 114 LYS A O 1 ATOM 651 C CB . LYS A 1 87 ? -59.456 13.271 -45.036 1.00 75.22 ? 114 LYS A CB 1 ATOM 652 C CG . LYS A 1 87 ? -58.197 14.084 -44.804 1.00 77.39 ? 114 LYS A CG 1 ATOM 653 C CD . LYS A 1 87 ? -57.488 14.343 -46.129 1.00 85.13 ? 114 LYS A CD 1 ATOM 654 C CE . LYS A 1 87 ? -56.260 15.215 -45.944 1.00 98.43 ? 114 LYS A CE 1 ATOM 655 N NZ . LYS A 1 87 ? -55.280 14.580 -45.015 1.00 104.82 ? 114 LYS A NZ 1 ATOM 656 N N . LYS A 1 88 ? -62.497 12.977 -44.709 1.00 72.49 ? 115 LYS A N 1 ATOM 657 C CA . LYS A 1 88 ? -63.645 12.387 -45.373 1.00 83.27 ? 115 LYS A CA 1 ATOM 658 C C . LYS A 1 88 ? -63.256 11.973 -46.789 1.00 93.73 ? 115 LYS A C 1 ATOM 659 O O . LYS A 1 88 ? -62.285 12.488 -47.349 1.00 93.80 ? 115 LYS A O 1 ATOM 660 C CB . LYS A 1 88 ? -64.809 13.374 -45.401 1.00 90.08 ? 115 LYS A CB 1 ATOM 661 C CG . LYS A 1 88 ? -65.566 13.487 -44.083 1.00 93.15 ? 115 LYS A CG 1 ATOM 662 C CD . LYS A 1 88 ? -67.001 13.957 -44.301 1.00 115.87 ? 115 LYS A CD 1 ATOM 663 C CE . LYS A 1 88 ? -67.125 15.472 -44.248 1.00 119.90 ? 115 LYS A CE 1 ATOM 664 N NZ . LYS A 1 88 ? -66.961 15.994 -42.863 1.00 112.72 ? 115 LYS A NZ 1 ATOM 665 N N . PRO A 1 89 ? -63.987 11.028 -47.389 1.00 95.49 ? 116 PRO A N 1 ATOM 666 C CA . PRO A 1 89 ? -63.653 10.614 -48.764 1.00 96.86 ? 116 PRO A CA 1 ATOM 667 C C . PRO A 1 89 ? -63.648 11.755 -49.769 1.00 89.24 ? 116 PRO A C 1 ATOM 668 O O . PRO A 1 89 ? -63.019 11.620 -50.826 1.00 87.75 ? 116 PRO A O 1 ATOM 669 C CB . PRO A 1 89 ? -64.736 9.575 -49.098 1.00 88.41 ? 116 PRO A CB 1 ATOM 670 C CG . PRO A 1 89 ? -65.779 9.715 -48.027 1.00 95.49 ? 116 PRO A CG 1 ATOM 671 C CD . PRO A 1 89 ? -65.056 10.197 -46.814 1.00 90.84 ? 116 PRO A CD 1 ATOM 672 N N . ASP A 1 90 ? -64.315 12.873 -49.479 1.00 97.59 ? 117 ASP A N 1 ATOM 673 C CA . ASP A 1 90 ? -64.271 14.025 -50.370 1.00 90.29 ? 117 ASP A CA 1 ATOM 674 C C . ASP A 1 90 ? -63.067 14.925 -50.116 1.00 99.50 ? 117 ASP A C 1 ATOM 675 O O . ASP A 1 90 ? -62.952 15.974 -50.759 1.00 107.43 ? 117 ASP A O 1 ATOM 676 C CB . ASP A 1 90 ? -65.571 14.836 -50.262 1.00 94.50 ? 117 ASP A CB 1 ATOM 677 C CG . ASP A 1 90 ? -65.761 15.483 -48.899 1.00 105.61 ? 117 ASP A CG 1 ATOM 678 O OD1 . ASP A 1 90 ? -64.935 15.258 -47.990 1.00 114.03 ? 117 ASP A OD1 1 ATOM 679 O OD2 . ASP A 1 90 ? -66.752 16.226 -48.737 1.00 116.99 ? 117 ASP A OD2 1 ATOM 680 N N . GLY A 1 91 ? -62.181 14.550 -49.193 1.00 99.00 ? 118 GLY A N 1 ATOM 681 C CA . GLY A 1 91 ? -60.932 15.250 -48.983 1.00 91.47 ? 118 GLY A CA 1 ATOM 682 C C . GLY A 1 91 ? -60.913 16.219 -47.820 1.00 93.49 ? 118 GLY A C 1 ATOM 683 O O . GLY A 1 91 ? -59.826 16.660 -47.427 1.00 92.31 ? 118 GLY A O 1 ATOM 684 N N . SER A 1 92 ? -62.069 16.562 -47.260 1.00 81.06 ? 119 SER A N 1 ATOM 685 C CA . SER A 1 92 ? -62.120 17.535 -46.179 1.00 85.18 ? 119 SER A CA 1 ATOM 686 C C . SER A 1 92 ? -61.623 16.922 -44.874 1.00 76.98 ? 119 SER A C 1 ATOM 687 O O . SER A 1 92 ? -61.768 15.720 -44.631 1.00 82.12 ? 119 SER A O 1 ATOM 688 C CB . SER A 1 92 ? -63.542 18.069 -46.002 1.00 88.20 ? 119 SER A CB 1 ATOM 689 O OG . SER A 1 92 ? -64.474 17.011 -45.868 1.00 99.16 ? 119 SER A OG 1 ATOM 690 N N . GLU A 1 93 ? -61.030 17.768 -44.034 1.00 75.36 ? 120 GLU A N 1 ATOM 691 C CA . GLU A 1 93 ? -60.459 17.306 -42.774 1.00 79.72 ? 120 GLU A CA 1 ATOM 692 C C . GLU A 1 93 ? -61.556 16.977 -41.769 1.00 80.58 ? 120 GLU A C 1 ATOM 693 O O . GLU A 1 93 ? -62.567 17.679 -41.673 1.00 84.28 ? 120 GLU A O 1 ATOM 694 C CB . GLU A 1 93 ? -59.524 18.369 -42.189 1.00 74.41 ? 120 GLU A CB 1 ATOM 695 C CG . GLU A 1 93 ? -58.296 18.679 -43.033 1.00 70.66 ? 120 GLU A CG 1 ATOM 696 C CD . GLU A 1 93 ? -57.180 17.668 -42.844 1.00 79.21 ? 120 GLU A CD 1 ATOM 697 O OE1 . GLU A 1 93 ? -57.398 16.663 -42.136 1.00 84.38 ? 120 GLU A OE1 1 ATOM 698 O OE2 . GLU A 1 93 ? -56.082 17.879 -43.401 1.00 88.57 ? 120 GLU A OE2 1 ATOM 699 N N . CYS A 1 94 ? -61.346 15.901 -41.009 1.00 65.76 ? 121 CYS A N 1 ATOM 700 C CA . CYS A 1 94 ? -62.285 15.492 -39.975 1.00 71.63 ? 121 CYS A CA 1 ATOM 701 C C . CYS A 1 94 ? -61.977 16.097 -38.613 1.00 70.77 ? 121 CYS A C 1 ATOM 702 O O . CYS A 1 94 ? -62.888 16.222 -37.786 1.00 77.35 ? 121 CYS A O 1 ATOM 703 C CB . CYS A 1 94 ? -62.303 13.965 -39.841 1.00 75.31 ? 121 CYS A CB 1 ATOM 704 S SG . CYS A 1 94 ? -63.087 13.090 -41.214 1.00 82.93 ? 121 CYS A SG 1 ATOM 705 N N . LEU A 1 95 ? -60.725 16.471 -38.359 1.00 61.72 ? 122 LEU A N 1 ATOM 706 C CA . LEU A 1 95 ? -60.311 16.937 -37.052 1.00 66.36 ? 122 LEU A CA 1 ATOM 707 C C . LEU A 1 95 ? -59.794 18.368 -37.131 1.00 71.70 ? 122 LEU A C 1 ATOM 708 O O . LEU A 1 95 ? -59.246 18.781 -38.159 1.00 61.01 ? 122 LEU A O 1 ATOM 709 C CB . LEU A 1 95 ? -59.216 16.031 -36.474 1.00 54.68 ? 122 LEU A CB 1 ATOM 710 C CG . LEU A 1 95 ? -59.581 14.549 -36.366 1.00 69.59 ? 122 LEU A CG 1 ATOM 711 C CD1 . LEU A 1 95 ? -58.335 13.711 -36.147 1.00 72.94 ? 122 LEU A CD1 1 ATOM 712 C CD2 . LEU A 1 95 ? -60.580 14.320 -35.233 1.00 61.68 ? 122 LEU A CD2 1 ATOM 713 N N . PRO A 1 96 ? -59.960 19.148 -36.067 1.00 68.53 ? 123 PRO A N 1 ATOM 714 C CA . PRO A 1 96 ? -59.478 20.530 -36.085 1.00 65.48 ? 123 PRO A CA 1 ATOM 715 C C . PRO A 1 96 ? -57.993 20.611 -35.786 1.00 69.91 ? 123 PRO A C 1 ATOM 716 O O . PRO A 1 96 ? -57.423 19.772 -35.085 1.00 56.87 ? 123 PRO A O 1 ATOM 717 C CB . PRO A 1 96 ? -60.296 21.197 -34.974 1.00 68.09 ? 123 PRO A CB 1 ATOM 718 C CG . PRO A 1 96 ? -60.525 20.095 -33.993 1.00 59.53 ? 123 PRO A CG 1 ATOM 719 C CD . PRO A 1 96 ? -60.676 18.830 -34.817 1.00 71.35 ? 123 PRO A CD 1 ATOM 720 N N . ALA A 1 97 ? -57.371 21.649 -36.335 1.00 57.93 ? 124 ALA A N 1 ATOM 721 C CA . ALA A 1 97 ? -55.970 21.910 -36.040 1.00 68.14 ? 124 ALA A CA 1 ATOM 722 C C . ALA A 1 97 ? -55.797 22.230 -34.561 1.00 67.76 ? 124 ALA A C 1 ATOM 723 O O . ALA A 1 97 ? -56.710 22.732 -33.895 1.00 69.38 ? 124 ALA A O 1 ATOM 724 C CB . ALA A 1 97 ? -55.441 23.055 -36.903 1.00 53.88 ? 124 ALA A CB 1 ATOM 725 N N . ALA A 1 98 ? -54.613 21.926 -34.049 1.00 57.91 ? 125 ALA A N 1 ATOM 726 C CA . ALA A 1 98 ? -54.347 22.091 -32.632 1.00 67.42 ? 125 ALA A CA 1 ATOM 727 C C . ALA A 1 98 ? -54.370 23.569 -32.261 1.00 54.99 ? 125 ALA A C 1 ATOM 728 O O . ALA A 1 98 ? -53.705 24.381 -32.922 1.00 61.03 ? 125 ALA A O 1 ATOM 729 C CB . ALA A 1 98 ? -52.999 21.472 -32.267 1.00 59.53 ? 125 ALA A CB 1 ATOM 730 N N . PRO A 1 99 ? -55.121 23.961 -31.233 1.00 59.98 ? 126 PRO A N 1 ATOM 731 C CA . PRO A 1 99 ? -55.128 25.365 -30.814 1.00 64.86 ? 126 PRO A CA 1 ATOM 732 C C . PRO A 1 99 ? -53.744 25.812 -30.371 1.00 70.62 ? 126 PRO A C 1 ATOM 733 O O . PRO A 1 99 ? -52.876 25.003 -30.032 1.00 55.05 ? 126 PRO A O 1 ATOM 734 C CB . PRO A 1 99 ? -56.122 25.391 -29.648 1.00 64.14 ? 126 PRO A CB 1 ATOM 735 C CG . PRO A 1 99 ? -56.955 24.161 -29.819 1.00 70.46 ? 126 PRO A CG 1 ATOM 736 C CD . PRO A 1 99 ? -56.053 23.138 -30.447 1.00 66.20 ? 126 PRO A CD 1 ATOM 737 N N . ASP A 1 100 ? -53.549 27.129 -30.385 1.00 55.57 ? 127 ASP A N 1 ATOM 738 C CA . ASP A 1 100 ? -52.286 27.723 -29.968 1.00 52.61 ? 127 ASP A CA 1 ATOM 739 C C . ASP A 1 100 ? -51.895 27.237 -28.578 1.00 65.85 ? 127 ASP A C 1 ATOM 740 O O . ASP A 1 100 ? -52.699 27.272 -27.642 1.00 54.34 ? 127 ASP A O 1 ATOM 741 C CB . ASP A 1 100 ? -52.413 29.247 -29.987 1.00 76.36 ? 127 ASP A CB 1 ATOM 742 C CG . ASP A 1 100 ? -51.104 29.952 -29.702 1.00 93.05 ? 127 ASP A CG 1 ATOM 743 O OD1 . ASP A 1 100 ? -50.043 29.292 -29.712 1.00 97.60 ? 127 ASP A OD1 1 ATOM 744 O OD2 . ASP A 1 100 ? -51.141 31.177 -29.466 1.00 98.16 ? 127 ASP A OD2 1 ATOM 745 N N . GLY A 1 101 ? -50.662 26.749 -28.455 1.00 56.15 ? 128 GLY A N 1 ATOM 746 C CA . GLY A 1 101 ? -50.130 26.353 -27.169 1.00 50.86 ? 128 GLY A CA 1 ATOM 747 C C . GLY A 1 101 ? -50.405 24.927 -26.747 1.00 58.48 ? 128 GLY A C 1 ATOM 748 O O . GLY A 1 101 ? -50.019 24.547 -25.634 1.00 61.10 ? 128 GLY A O 1 ATOM 749 N N . ILE A 1 102 ? -51.047 24.123 -27.588 1.00 56.98 ? 129 ILE A N 1 ATOM 750 C CA . ILE A 1 102 ? -51.329 22.725 -27.279 1.00 64.48 ? 129 ILE A CA 1 ATOM 751 C C . ILE A 1 102 ? -50.384 21.874 -28.116 1.00 54.71 ? 129 ILE A C 1 ATOM 752 O O . ILE A 1 102 ? -50.479 21.848 -29.349 1.00 61.37 ? 129 ILE A O 1 ATOM 753 C CB . ILE A 1 102 ? -52.798 22.367 -27.541 1.00 64.92 ? 129 ILE A CB 1 ATOM 754 C CG1 . ILE A 1 102 ? -53.717 23.278 -26.722 1.00 65.54 ? 129 ILE A CG1 1 ATOM 755 C CG2 . ILE A 1 102 ? -53.072 20.901 -27.199 1.00 76.22 ? 129 ILE A CG2 1 ATOM 756 C CD1 . ILE A 1 102 ? -55.163 22.815 -26.696 1.00 63.48 ? 129 ILE A CD1 1 ATOM 757 N N . ARG A 1 103 ? -49.461 21.192 -27.445 1.00 62.23 ? 130 ARG A N 1 ATOM 758 C CA . ARG A 1 103 ? -48.453 20.346 -28.062 1.00 57.57 ? 130 ARG A CA 1 ATOM 759 C C . ARG A 1 103 ? -48.696 18.895 -27.672 1.00 63.68 ? 130 ARG A C 1 ATOM 760 O O . ARG A 1 103 ? -49.509 18.590 -26.796 1.00 53.81 ? 130 ARG A O 1 ATOM 761 C CB . ARG A 1 103 ? -47.043 20.778 -27.646 1.00 61.69 ? 130 ARG A CB 1 ATOM 762 C CG . ARG A 1 103 ? -46.694 22.202 -28.026 1.00 67.45 ? 130 ARG A CG 1 ATOM 763 C CD . ARG A 1 103 ? -45.531 22.697 -27.186 1.00 55.23 ? 130 ARG A CD 1 ATOM 764 N NE . ARG A 1 103 ? -45.872 22.740 -25.766 1.00 62.87 ? 130 ARG A NE 1 ATOM 765 C CZ . ARG A 1 103 ? -46.380 23.802 -25.151 1.00 65.13 ? 130 ARG A CZ 1 ATOM 766 N NH1 . ARG A 1 103 ? -46.599 24.918 -25.833 1.00 57.20 ? 130 ARG A NH1 1 ATOM 767 N NH2 . ARG A 1 103 ? -46.665 23.751 -23.857 1.00 65.90 ? 130 ARG A NH2 1 ATOM 768 N N . GLY A 1 104 ? -47.955 17.997 -28.318 1.00 58.33 ? 131 GLY A N 1 ATOM 769 C CA . GLY A 1 104 ? -48.178 16.579 -28.111 1.00 57.98 ? 131 GLY A CA 1 ATOM 770 C C . GLY A 1 104 ? -47.687 16.102 -26.757 1.00 65.06 ? 131 GLY A C 1 ATOM 771 O O . GLY A 1 104 ? -46.841 16.725 -26.112 1.00 54.83 ? 131 GLY A O 1 ATOM 772 N N . PHE A 1 105 ? -48.238 14.971 -26.330 1.00 52.09 ? 132 PHE A N 1 ATOM 773 C CA . PHE A 1 105 ? -47.834 14.342 -25.084 1.00 56.17 ? 132 PHE A CA 1 ATOM 774 C C . PHE A 1 105 ? -46.334 14.051 -25.116 1.00 52.55 ? 132 PHE A C 1 ATOM 775 O O . PHE A 1 105 ? -45.826 13.551 -26.129 1.00 57.50 ? 132 PHE A O 1 ATOM 776 C CB . PHE A 1 105 ? -48.632 13.053 -24.881 1.00 53.99 ? 132 PHE A CB 1 ATOM 777 C CG . PHE A 1 105 ? -48.545 12.482 -23.494 1.00 59.92 ? 132 PHE A CG 1 ATOM 778 C CD1 . PHE A 1 105 ? -49.411 12.904 -22.497 1.00 50.34 ? 132 PHE A CD1 1 ATOM 779 C CD2 . PHE A 1 105 ? -47.618 11.495 -23.193 1.00 61.91 ? 132 PHE A CD2 1 ATOM 780 C CE1 . PHE A 1 105 ? -49.340 12.366 -21.222 1.00 61.10 ? 132 PHE A CE1 1 ATOM 781 C CE2 . PHE A 1 105 ? -47.539 10.955 -21.920 1.00 62.01 ? 132 PHE A CE2 1 ATOM 782 C CZ . PHE A 1 105 ? -48.403 11.391 -20.933 1.00 56.72 ? 132 PHE A CZ 1 ATOM 783 N N . PRO A 1 106 ? -45.595 14.357 -24.046 1.00 58.54 ? 133 PRO A N 1 ATOM 784 C CA . PRO A 1 106 ? -44.131 14.428 -24.148 1.00 68.18 ? 133 PRO A CA 1 ATOM 785 C C . PRO A 1 106 ? -43.355 13.138 -23.921 1.00 67.48 ? 133 PRO A C 1 ATOM 786 O O . PRO A 1 106 ? -42.133 13.156 -24.115 1.00 66.11 ? 133 PRO A O 1 ATOM 787 C CB . PRO A 1 106 ? -43.778 15.455 -23.061 1.00 62.39 ? 133 PRO A CB 1 ATOM 788 C CG . PRO A 1 106 ? -44.823 15.251 -22.022 1.00 53.52 ? 133 PRO A CG 1 ATOM 789 C CD . PRO A 1 106 ? -46.089 14.899 -22.767 1.00 55.19 ? 133 PRO A CD 1 ATOM 790 N N . ARG A 1 107 ? -43.987 12.033 -23.522 1.00 59.92 ? 134 ARG A N 1 ATOM 791 C CA . ARG A 1 107 ? -43.252 10.797 -23.241 1.00 62.58 ? 134 ARG A CA 1 ATOM 792 C C . ARG A 1 107 ? -44.046 9.612 -23.785 1.00 64.57 ? 134 ARG A C 1 ATOM 793 O O . ARG A 1 107 ? -44.956 9.108 -23.121 1.00 63.62 ? 134 ARG A O 1 ATOM 794 C CB . ARG A 1 107 ? -42.973 10.646 -21.750 1.00 63.55 ? 134 ARG A CB 1 ATOM 795 C CG . ARG A 1 107 ? -41.949 11.637 -21.199 1.00 58.92 ? 134 ARG A CG 1 ATOM 796 C CD . ARG A 1 107 ? -40.550 11.363 -21.740 1.00 63.12 ? 134 ARG A CD 1 ATOM 797 N NE . ARG A 1 107 ? -39.557 12.292 -21.200 1.00 69.59 ? 134 ARG A NE 1 ATOM 798 C CZ . ARG A 1 107 ? -39.154 13.399 -21.816 1.00 71.82 ? 134 ARG A CZ 1 ATOM 799 N NH1 . ARG A 1 107 ? -38.253 14.187 -21.245 1.00 67.00 ? 134 ARG A NH1 1 ATOM 800 N NH2 . ARG A 1 107 ? -39.645 13.713 -23.006 1.00 62.25 ? 134 ARG A NH2 1 ATOM 801 N N . CYS A 1 108 ? -43.683 9.159 -24.984 1.00 61.53 ? 135 CYS A N 1 ATOM 802 C CA . CYS A 1 108 ? -44.362 8.054 -25.653 1.00 62.16 ? 135 CYS A CA 1 ATOM 803 C C . CYS A 1 108 ? -43.321 7.086 -26.190 1.00 67.17 ? 135 CYS A C 1 ATOM 804 O O . CYS A 1 108 ? -42.490 7.466 -27.022 1.00 73.45 ? 135 CYS A O 1 ATOM 805 C CB . CYS A 1 108 ? -45.246 8.563 -26.795 1.00 62.06 ? 135 CYS A CB 1 ATOM 806 S SG . CYS A 1 108 ? -46.496 9.769 -26.312 1.00 72.89 ? 135 CYS A SG 1 ATOM 807 N N . ARG A 1 109 ? -43.375 5.835 -25.730 1.00 66.26 ? 136 ARG A N 1 ATOM 808 C CA . ARG A 1 109 ? -42.476 4.825 -26.276 1.00 74.78 ? 136 ARG A CA 1 ATOM 809 C C . ARG A 1 109 ? -42.861 4.468 -27.707 1.00 74.57 ? 136 ARG A C 1 ATOM 810 O O . ARG A 1 109 ? -41.991 4.321 -28.573 1.00 69.51 ? 136 ARG A O 1 ATOM 811 C CB . ARG A 1 109 ? -42.478 3.581 -25.386 1.00 71.33 ? 136 ARG A CB 1 ATOM 812 C CG . ARG A 1 109 ? -41.626 2.436 -25.918 1.00 79.59 ? 136 ARG A CG 1 ATOM 813 C CD . ARG A 1 109 ? -40.148 2.800 -25.950 1.00 76.67 ? 136 ARG A CD 1 ATOM 814 N NE . ARG A 1 109 ? -39.351 1.800 -26.659 1.00 100.05 ? 136 ARG A NE 1 ATOM 815 C CZ . ARG A 1 109 ? -39.041 1.876 -27.949 1.00 92.35 ? 136 ARG A CZ 1 ATOM 816 N NH1 . ARG A 1 109 ? -38.310 0.925 -28.518 1.00 83.23 ? 136 ARG A NH1 1 ATOM 817 N NH2 . ARG A 1 109 ? -39.461 2.904 -28.670 1.00 72.16 ? 136 ARG A NH2 1 ATOM 818 N N . TYR A 1 110 ? -44.158 4.333 -27.973 1.00 76.90 ? 137 TYR A N 1 ATOM 819 C CA . TYR A 1 110 ? -44.663 4.039 -29.306 1.00 68.92 ? 137 TYR A CA 1 ATOM 820 C C . TYR A 1 110 ? -45.741 5.051 -29.659 1.00 76.41 ? 137 TYR A C 1 ATOM 821 O O . TYR A 1 110 ? -46.677 5.264 -28.882 1.00 70.64 ? 137 TYR A O 1 ATOM 822 C CB . TYR A 1 110 ? -45.225 2.616 -29.392 1.00 65.73 ? 137 TYR A CB 1 ATOM 823 C CG . TYR A 1 110 ? -44.218 1.543 -29.050 1.00 74.01 ? 137 TYR A CG 1 ATOM 824 C CD1 . TYR A 1 110 ? -43.179 1.238 -29.920 1.00 77.91 ? 137 TYR A CD1 1 ATOM 825 C CD2 . TYR A 1 110 ? -44.308 0.830 -27.860 1.00 72.80 ? 137 TYR A CD2 1 ATOM 826 C CE1 . TYR A 1 110 ? -42.253 0.258 -29.612 1.00 90.11 ? 137 TYR A CE1 1 ATOM 827 C CE2 . TYR A 1 110 ? -43.388 -0.153 -27.543 1.00 79.06 ? 137 TYR A CE2 1 ATOM 828 C CZ . TYR A 1 110 ? -42.363 -0.433 -28.423 1.00 88.65 ? 137 TYR A CZ 1 ATOM 829 O OH . TYR A 1 110 ? -41.442 -1.408 -28.117 1.00 81.12 ? 137 TYR A OH 1 ATOM 830 N N . VAL A 1 111 ? -45.605 5.671 -30.826 1.00 67.13 ? 138 VAL A N 1 ATOM 831 C CA . VAL A 1 111 ? -46.580 6.622 -31.341 1.00 62.93 ? 138 VAL A CA 1 ATOM 832 C C . VAL A 1 111 ? -47.270 5.969 -32.527 1.00 73.40 ? 138 VAL A C 1 ATOM 833 O O . VAL A 1 111 ? -46.681 5.838 -33.607 1.00 71.64 ? 138 VAL A O 1 ATOM 834 C CB . VAL A 1 111 ? -45.932 7.952 -31.743 1.00 66.75 ? 138 VAL A CB 1 ATOM 835 C CG1 . VAL A 1 111 ? -46.975 8.887 -32.326 1.00 61.88 ? 138 VAL A CG1 1 ATOM 836 C CG2 . VAL A 1 111 ? -45.257 8.591 -30.547 1.00 55.88 ? 138 VAL A CG2 1 ATOM 837 N N . HIS A 1 112 ? -48.517 5.554 -32.329 1.00 64.85 ? 139 HIS A N 1 ATOM 838 C CA . HIS A 1 112 ? -49.302 4.939 -33.394 1.00 75.89 ? 139 HIS A CA 1 ATOM 839 C C . HIS A 1 112 ? -49.925 6.043 -34.243 1.00 74.60 ? 139 HIS A C 1 ATOM 840 O O . HIS A 1 112 ? -50.876 6.704 -33.813 1.00 72.79 ? 139 HIS A O 1 ATOM 841 C CB . HIS A 1 112 ? -50.372 4.024 -32.805 1.00 59.81 ? 139 HIS A CB 1 ATOM 842 C CG . HIS A 1 112 ? -49.833 2.974 -31.881 1.00 79.84 ? 139 HIS A CG 1 ATOM 843 N ND1 . HIS A 1 112 ? -49.454 1.722 -32.317 1.00 72.72 ? 139 HIS A ND1 1 ATOM 844 C CD2 . HIS A 1 112 ? -49.621 2.986 -30.544 1.00 67.16 ? 139 HIS A CD2 1 ATOM 845 C CE1 . HIS A 1 112 ? -49.026 1.011 -31.289 1.00 73.69 ? 139 HIS A CE1 1 ATOM 846 N NE2 . HIS A 1 112 ? -49.116 1.755 -30.201 1.00 74.60 ? 139 HIS A NE2 1 ATOM 847 N N . LYS A 1 113 ? -49.396 6.243 -35.450 1.00 65.36 ? 140 LYS A N 1 ATOM 848 C CA . LYS A 1 113 ? -49.835 7.316 -36.337 1.00 61.72 ? 140 LYS A CA 1 ATOM 849 C C . LYS A 1 113 ? -50.761 6.735 -37.400 1.00 63.83 ? 140 LYS A C 1 ATOM 850 O O . LYS A 1 113 ? -50.328 5.952 -38.251 1.00 71.87 ? 140 LYS A O 1 ATOM 851 C CB . LYS A 1 113 ? -48.638 8.017 -36.975 1.00 70.21 ? 140 LYS A CB 1 ATOM 852 C CG . LYS A 1 113 ? -49.024 9.132 -37.926 1.00 77.96 ? 140 LYS A CG 1 ATOM 853 C CD . LYS A 1 113 ? -47.838 10.017 -38.249 1.00 92.50 ? 140 LYS A CD 1 ATOM 854 C CE . LYS A 1 113 ? -48.270 11.194 -39.101 1.00 102.45 ? 140 LYS A CE 1 ATOM 855 N NZ . LYS A 1 113 ? -47.188 12.202 -39.258 1.00 115.23 ? 140 LYS A NZ 1 ATOM 856 N N . VAL A 1 114 ? -52.031 7.136 -37.362 1.00 65.67 ? 141 VAL A N 1 ATOM 857 C CA . VAL A 1 114 ? -53.071 6.579 -38.220 1.00 68.36 ? 141 VAL A CA 1 ATOM 858 C C . VAL A 1 114 ? -53.490 7.640 -39.229 1.00 64.10 ? 141 VAL A C 1 ATOM 859 O O . VAL A 1 114 ? -53.859 8.758 -38.850 1.00 73.44 ? 141 VAL A O 1 ATOM 860 C CB . VAL A 1 114 ? -54.277 6.094 -37.402 1.00 67.73 ? 141 VAL A CB 1 ATOM 861 C CG1 . VAL A 1 114 ? -55.281 5.394 -38.303 1.00 72.48 ? 141 VAL A CG1 1 ATOM 862 C CG2 . VAL A 1 114 ? -53.820 5.172 -36.283 1.00 67.56 ? 141 VAL A CG2 1 ATOM 863 N N . SER A 1 115 ? -53.430 7.291 -40.510 1.00 72.23 ? 142 SER A N 1 ATOM 864 C CA . SER A 1 115 ? -53.915 8.139 -41.589 1.00 76.77 ? 142 SER A CA 1 ATOM 865 C C . SER A 1 115 ? -54.949 7.362 -42.390 1.00 85.94 ? 142 SER A C 1 ATOM 866 O O . SER A 1 115 ? -54.770 6.169 -42.650 1.00 87.08 ? 142 SER A O 1 ATOM 867 C CB . SER A 1 115 ? -52.773 8.596 -42.508 1.00 89.53 ? 142 SER A CB 1 ATOM 868 O OG . SER A 1 115 ? -51.676 9.093 -41.761 1.00 96.93 ? 142 SER A OG 1 ATOM 869 N N . GLY A 1 116 ? -56.031 8.030 -42.778 1.00 76.67 ? 143 GLY A N 1 ATOM 870 C CA . GLY A 1 116 ? -57.057 7.336 -43.540 1.00 88.87 ? 143 GLY A CA 1 ATOM 871 C C . GLY A 1 116 ? -58.317 8.158 -43.699 1.00 85.95 ? 143 GLY A C 1 ATOM 872 O O . GLY A 1 116 ? -58.290 9.392 -43.618 1.00 83.60 ? 143 GLY A O 1 ATOM 873 N N . THR A 1 117 ? -59.426 7.453 -43.932 1.00 81.42 ? 144 THR A N 1 ATOM 874 C CA . THR A 1 117 ? -60.695 8.083 -44.262 1.00 84.70 ? 144 THR A CA 1 ATOM 875 C C . THR A 1 117 ? -61.824 7.456 -43.455 1.00 84.74 ? 144 THR A C 1 ATOM 876 O O . THR A 1 117 ? -61.734 6.319 -42.984 1.00 82.62 ? 144 THR A O 1 ATOM 877 C CB . THR A 1 117 ? -61.014 7.977 -45.765 1.00 72.94 ? 144 THR A CB 1 ATOM 878 O OG1 . THR A 1 117 ? -61.046 6.600 -46.159 1.00 82.72 ? 144 THR A OG1 1 ATOM 879 C CG2 . THR A 1 117 ? -59.971 8.719 -46.596 1.00 78.19 ? 144 THR A CG2 1 ATOM 880 N N . GLY A 1 118 ? -62.901 8.227 -43.313 1.00 86.03 ? 145 GLY A N 1 ATOM 881 C CA . GLY A 1 118 ? -64.105 7.798 -42.642 1.00 83.16 ? 145 GLY A CA 1 ATOM 882 C C . GLY A 1 118 ? -65.210 8.813 -42.851 1.00 83.86 ? 145 GLY A C 1 ATOM 883 O O . GLY A 1 118 ? -64.984 9.896 -43.405 1.00 81.08 ? 145 GLY A O 1 ATOM 884 N N . PRO A 1 119 ? -66.435 8.491 -42.422 1.00 88.53 ? 146 PRO A N 1 ATOM 885 C CA . PRO A 1 119 ? -67.560 9.415 -42.639 1.00 90.84 ? 146 PRO A CA 1 ATOM 886 C C . PRO A 1 119 ? -67.534 10.619 -41.707 1.00 77.45 ? 146 PRO A C 1 ATOM 887 O O . PRO A 1 119 ? -67.958 11.715 -42.093 1.00 95.24 ? 146 PRO A O 1 ATOM 888 C CB . PRO A 1 119 ? -68.791 8.537 -42.383 1.00 84.88 ? 146 PRO A CB 1 ATOM 889 C CG . PRO A 1 119 ? -68.306 7.464 -41.475 1.00 89.39 ? 146 PRO A CG 1 ATOM 890 C CD . PRO A 1 119 ? -66.870 7.210 -41.835 1.00 88.09 ? 146 PRO A CD 1 ATOM 891 N N . CYS A 1 120 ? -67.062 10.414 -40.477 1.00 83.10 ? 147 CYS A N 1 ATOM 892 C CA . CYS A 1 120 ? -66.863 11.488 -39.506 1.00 90.74 ? 147 CYS A CA 1 ATOM 893 C C . CYS A 1 120 ? -68.153 12.281 -39.279 1.00 88.69 ? 147 CYS A C 1 ATOM 894 O O . CYS A 1 120 ? -68.233 13.483 -39.545 1.00 80.80 ? 147 CYS A O 1 ATOM 895 C CB . CYS A 1 120 ? -65.725 12.414 -39.949 1.00 88.95 ? 147 CYS A CB 1 ATOM 896 S SG . CYS A 1 120 ? -64.147 11.611 -40.310 1.00 108.36 ? 147 CYS A SG 1 ATOM 897 N N . ALA A 1 121 ? -69.172 11.585 -38.779 1.00 76.03 ? 148 ALA A N 1 ATOM 898 C CA . ALA A 1 121 ? -70.507 12.170 -38.630 1.00 76.52 ? 148 ALA A CA 1 ATOM 899 C C . ALA A 1 121 ? -70.604 12.936 -37.309 1.00 80.46 ? 148 ALA A C 1 ATOM 900 O O . ALA A 1 121 ? -71.291 12.543 -36.363 1.00 96.31 ? 148 ALA A O 1 ATOM 901 C CB . ALA A 1 121 ? -71.571 11.084 -38.733 1.00 74.05 ? 148 ALA A CB 1 ATOM 902 N N . GLY A 1 122 ? -69.904 14.068 -37.263 1.00 71.67 ? 149 GLY A N 1 ATOM 903 C CA . GLY A 1 122 ? -69.908 14.908 -36.081 1.00 66.14 ? 149 GLY A CA 1 ATOM 904 C C . GLY A 1 122 ? -68.822 15.965 -36.095 1.00 66.33 ? 149 GLY A C 1 ATOM 905 O O . GLY A 1 122 ? -67.779 15.780 -36.729 1.00 76.32 ? 149 GLY A O 1 ATOM 906 N N . ASP A 1 123 ? -69.047 17.077 -35.390 1.00 66.92 ? 150 ASP A N 1 ATOM 907 C CA . ASP A 1 123 ? -68.103 18.187 -35.455 1.00 67.04 ? 150 ASP A CA 1 ATOM 908 C C . ASP A 1 123 ? -66.818 17.880 -34.694 1.00 65.46 ? 150 ASP A C 1 ATOM 909 O O . ASP A 1 123 ? -65.733 18.310 -35.103 1.00 67.46 ? 150 ASP A O 1 ATOM 910 C CB . ASP A 1 123 ? -68.749 19.464 -34.916 1.00 66.31 ? 150 ASP A CB 1 ATOM 911 C CG . ASP A 1 123 ? -69.822 20.016 -35.840 1.00 83.63 ? 150 ASP A CG 1 ATOM 912 O OD1 . ASP A 1 123 ? -69.828 19.662 -37.038 1.00 92.25 ? 150 ASP A OD1 1 ATOM 913 O OD2 . ASP A 1 123 ? -70.657 20.812 -35.367 1.00 91.96 ? 150 ASP A OD2 1 ATOM 914 N N . PHE A 1 124 ? -66.915 17.147 -33.587 1.00 59.03 ? 151 PHE A N 1 ATOM 915 C CA . PHE A 1 124 ? -65.756 16.848 -32.761 1.00 55.87 ? 151 PHE A CA 1 ATOM 916 C C . PHE A 1 124 ? -65.773 15.382 -32.357 1.00 59.79 ? 151 PHE A C 1 ATOM 917 O O . PHE A 1 124 ? -66.831 14.749 -32.303 1.00 67.53 ? 151 PHE A O 1 ATOM 918 C CB . PHE A 1 124 ? -65.708 17.733 -31.512 1.00 61.27 ? 151 PHE A CB 1 ATOM 919 C CG . PHE A 1 124 ? -65.483 19.187 -31.805 1.00 63.12 ? 151 PHE A CG 1 ATOM 920 C CD1 . PHE A 1 124 ? -64.214 19.658 -32.108 1.00 62.68 ? 151 PHE A CD1 1 ATOM 921 C CD2 . PHE A 1 124 ? -66.534 20.089 -31.764 1.00 56.44 ? 151 PHE A CD2 1 ATOM 922 C CE1 . PHE A 1 124 ? -64.000 20.999 -32.374 1.00 70.79 ? 151 PHE A CE1 1 ATOM 923 C CE2 . PHE A 1 124 ? -66.328 21.432 -32.025 1.00 59.88 ? 151 PHE A CE2 1 ATOM 924 C CZ . PHE A 1 124 ? -65.058 21.887 -32.333 1.00 56.46 ? 151 PHE A CZ 1 ATOM 925 N N . ALA A 1 125 ? -64.586 14.854 -32.068 1.00 56.85 ? 152 ALA A N 1 ATOM 926 C CA . ALA A 1 125 ? -64.414 13.470 -31.646 1.00 54.51 ? 152 ALA A CA 1 ATOM 927 C C . ALA A 1 125 ? -64.171 13.435 -30.143 1.00 55.18 ? 152 ALA A C 1 ATOM 928 O O . ALA A 1 125 ? -63.209 14.035 -29.652 1.00 59.81 ? 152 ALA A O 1 ATOM 929 C CB . ALA A 1 125 ? -63.257 12.809 -32.392 1.00 50.59 ? 152 ALA A CB 1 ATOM 930 N N . PHE A 1 126 ? -65.033 12.725 -29.423 1.00 55.51 ? 153 PHE A N 1 ATOM 931 C CA . PHE A 1 126 ? -64.986 12.631 -27.971 1.00 55.67 ? 153 PHE A CA 1 ATOM 932 C C . PHE A 1 126 ? -64.628 11.213 -27.544 1.00 66.36 ? 153 PHE A C 1 ATOM 933 O O . PHE A 1 126 ? -64.632 10.275 -28.345 1.00 61.10 ? 153 PHE A O 1 ATOM 934 C CB . PHE A 1 126 ? -66.332 13.032 -27.357 1.00 60.41 ? 153 PHE A CB 1 ATOM 935 C CG . PHE A 1 126 ? -66.709 14.469 -27.587 1.00 61.01 ? 153 PHE A CG 1 ATOM 936 C CD1 . PHE A 1 126 ? -67.291 14.872 -28.778 1.00 61.20 ? 153 PHE A CD1 1 ATOM 937 C CD2 . PHE A 1 126 ? -66.502 15.415 -26.599 1.00 68.23 ? 153 PHE A CD2 1 ATOM 938 C CE1 . PHE A 1 126 ? -67.644 16.195 -28.980 1.00 71.83 ? 153 PHE A CE1 1 ATOM 939 C CE2 . PHE A 1 126 ? -66.852 16.736 -26.796 1.00 61.21 ? 153 PHE A CE2 1 ATOM 940 C CZ . PHE A 1 126 ? -67.423 17.127 -27.988 1.00 65.62 ? 153 PHE A CZ 1 ATOM 941 N N . HIS A 1 127 ? -64.334 11.065 -26.254 1.00 61.08 ? 154 HIS A N 1 ATOM 942 C CA . HIS A 1 127 ? -64.071 9.758 -25.665 1.00 63.50 ? 154 HIS A CA 1 ATOM 943 C C . HIS A 1 127 ? -65.388 9.158 -25.189 1.00 66.42 ? 154 HIS A C 1 ATOM 944 O O . HIS A 1 127 ? -66.081 9.753 -24.356 1.00 64.67 ? 154 HIS A O 1 ATOM 945 C CB . HIS A 1 127 ? -63.078 9.863 -24.508 1.00 56.52 ? 154 HIS A CB 1 ATOM 946 C CG . HIS A 1 127 ? -62.426 8.561 -24.155 1.00 65.48 ? 154 HIS A CG 1 ATOM 947 N ND1 . HIS A 1 127 ? -63.049 7.596 -23.393 1.00 61.74 ? 154 HIS A ND1 1 ATOM 948 C CD2 . HIS A 1 127 ? -61.208 8.060 -24.471 1.00 63.63 ? 154 HIS A CD2 1 ATOM 949 C CE1 . HIS A 1 127 ? -62.241 6.560 -23.250 1.00 64.45 ? 154 HIS A CE1 1 ATOM 950 N NE2 . HIS A 1 127 ? -61.118 6.816 -23.897 1.00 57.78 ? 154 HIS A NE2 1 ATOM 951 N N . LYS A 1 128 ? -65.722 7.976 -25.711 1.00 62.08 ? 155 LYS A N 1 ATOM 952 C CA . LYS A 1 128 ? -67.019 7.362 -25.446 1.00 70.06 ? 155 LYS A CA 1 ATOM 953 C C . LYS A 1 128 ? -67.189 6.937 -23.995 1.00 72.02 ? 155 LYS A C 1 ATOM 954 O O . LYS A 1 128 ? -68.320 6.682 -23.568 1.00 67.97 ? 155 LYS A O 1 ATOM 955 C CB . LYS A 1 128 ? -67.221 6.151 -26.354 1.00 63.10 ? 155 LYS A CB 1 ATOM 956 C CG . LYS A 1 128 ? -67.427 6.485 -27.819 1.00 69.87 ? 155 LYS A CG 1 ATOM 957 C CD . LYS A 1 128 ? -67.820 5.236 -28.595 1.00 68.61 ? 155 LYS A CD 1 ATOM 958 C CE . LYS A 1 128 ? -68.329 5.574 -29.982 1.00 81.37 ? 155 LYS A CE 1 ATOM 959 N NZ . LYS A 1 128 ? -68.929 4.381 -30.645 1.00 94.80 ? 155 LYS A NZ 1 ATOM 960 N N . GLU A 1 129 ? -66.103 6.845 -23.232 1.00 68.51 ? 156 GLU A N 1 ATOM 961 C CA . GLU A 1 129 ? -66.171 6.451 -21.833 1.00 69.18 ? 156 GLU A CA 1 ATOM 962 C C . GLU A 1 129 ? -65.965 7.624 -20.884 1.00 78.48 ? 156 GLU A C 1 ATOM 963 O O . GLU A 1 129 ? -65.867 7.418 -19.670 1.00 66.09 ? 156 GLU A O 1 ATOM 964 C CB . GLU A 1 129 ? -65.154 5.344 -21.553 1.00 65.32 ? 156 GLU A CB 1 ATOM 965 C CG . GLU A 1 129 ? -65.471 4.046 -22.282 1.00 71.18 ? 156 GLU A CG 1 ATOM 966 C CD . GLU A 1 129 ? -64.342 3.040 -22.223 1.00 79.53 ? 156 GLU A CD 1 ATOM 967 O OE1 . GLU A 1 129 ? -64.521 1.921 -22.748 1.00 94.55 ? 156 GLU A OE1 1 ATOM 968 O OE2 . GLU A 1 129 ? -63.276 3.367 -21.661 1.00 85.36 ? 156 GLU A OE2 1 ATOM 969 N N . GLY A 1 130 ? -65.904 8.849 -21.403 1.00 69.42 ? 157 GLY A N 1 ATOM 970 C CA . GLY A 1 130 ? -65.776 10.020 -20.561 1.00 59.90 ? 157 GLY A CA 1 ATOM 971 C C . GLY A 1 130 ? -64.367 10.365 -20.144 1.00 68.10 ? 157 GLY A C 1 ATOM 972 O O . GLY A 1 130 ? -64.187 11.290 -19.344 1.00 55.10 ? 157 GLY A O 1 ATOM 973 N N . ALA A 1 131 ? -63.362 9.655 -20.652 1.00 63.26 ? 158 ALA A N 1 ATOM 974 C CA . ALA A 1 131 ? -61.981 9.954 -20.320 1.00 53.39 ? 158 ALA A CA 1 ATOM 975 C C . ALA A 1 131 ? -61.517 11.193 -21.081 1.00 60.45 ? 158 ALA A C 1 ATOM 976 O O . ALA A 1 131 ? -62.259 11.799 -21.862 1.00 61.00 ? 158 ALA A O 1 ATOM 977 C CB . ALA A 1 131 ? -61.086 8.755 -20.618 1.00 53.26 ? 158 ALA A CB 1 ATOM 978 N N . PHE A 1 132 ? -60.270 11.581 -20.847 1.00 60.37 ? 159 PHE A N 1 ATOM 979 C CA . PHE A 1 132 ? -59.686 12.745 -21.489 1.00 52.94 ? 159 PHE A CA 1 ATOM 980 C C . PHE A 1 132 ? -58.599 12.323 -22.461 1.00 63.53 ? 159 PHE A C 1 ATOM 981 O O . PHE A 1 132 ? -58.042 11.226 -22.377 1.00 55.89 ? 159 PHE A O 1 ATOM 982 C CB . PHE A 1 132 ? -59.085 13.710 -20.462 1.00 53.04 ? 159 PHE A CB 1 ATOM 983 C CG . PHE A 1 132 ? -60.096 14.379 -19.590 1.00 59.12 ? 159 PHE A CG 1 ATOM 984 C CD1 . PHE A 1 132 ? -60.735 15.537 -20.007 1.00 57.86 ? 159 PHE A CD1 1 ATOM 985 C CD2 . PHE A 1 132 ? -60.402 13.860 -18.344 1.00 51.18 ? 159 PHE A CD2 1 ATOM 986 C CE1 . PHE A 1 132 ? -61.667 16.159 -19.200 1.00 58.41 ? 159 PHE A CE1 1 ATOM 987 C CE2 . PHE A 1 132 ? -61.328 14.477 -17.531 1.00 63.89 ? 159 PHE A CE2 1 ATOM 988 C CZ . PHE A 1 132 ? -61.963 15.629 -17.960 1.00 60.88 ? 159 PHE A CZ 1 ATOM 989 N N . PHE A 1 133 ? -58.295 13.226 -23.378 1.00 48.55 ? 160 PHE A N 1 ATOM 990 C CA . PHE A 1 133 ? -57.137 13.093 -24.244 1.00 54.81 ? 160 PHE A CA 1 ATOM 991 C C . PHE A 1 133 ? -56.047 13.998 -23.686 1.00 52.95 ? 160 PHE A C 1 ATOM 992 O O . PHE A 1 133 ? -56.233 15.217 -23.593 1.00 53.75 ? 160 PHE A O 1 ATOM 993 C CB . PHE A 1 133 ? -57.489 13.459 -25.683 1.00 51.97 ? 160 PHE A CB 1 ATOM 994 C CG . PHE A 1 133 ? -58.646 12.679 -26.229 1.00 62.39 ? 160 PHE A CG 1 ATOM 995 C CD1 . PHE A 1 133 ? -58.477 11.367 -26.652 1.00 55.96 ? 160 PHE A CD1 1 ATOM 996 C CD2 . PHE A 1 133 ? -59.905 13.253 -26.315 1.00 47.88 ? 160 PHE A CD2 1 ATOM 997 C CE1 . PHE A 1 133 ? -59.542 10.643 -27.158 1.00 57.84 ? 160 PHE A CE1 1 ATOM 998 C CE2 . PHE A 1 133 ? -60.978 12.535 -26.809 1.00 56.59 ? 160 PHE A CE2 1 ATOM 999 C CZ . PHE A 1 133 ? -60.799 11.227 -27.231 1.00 55.80 ? 160 PHE A CZ 1 ATOM 1000 N N . LEU A 1 134 ? -54.928 13.398 -23.293 1.00 54.16 ? 161 LEU A N 1 ATOM 1001 C CA . LEU A 1 134 ? -53.872 14.102 -22.581 1.00 56.79 ? 161 LEU A CA 1 ATOM 1002 C C . LEU A 1 134 ? -52.826 14.591 -23.571 1.00 67.81 ? 161 LEU A C 1 ATOM 1003 O O . LEU A 1 134 ? -52.258 13.796 -24.328 1.00 60.93 ? 161 LEU A O 1 ATOM 1004 C CB . LEU A 1 134 ? -53.229 13.199 -21.530 1.00 56.84 ? 161 LEU A CB 1 ATOM 1005 C CG . LEU A 1 134 ? -54.113 12.632 -20.417 1.00 61.09 ? 161 LEU A CG 1 ATOM 1006 C CD1 . LEU A 1 134 ? -53.269 11.796 -19.453 1.00 56.95 ? 161 LEU A CD1 1 ATOM 1007 C CD2 . LEU A 1 134 ? -54.854 13.742 -19.671 1.00 52.54 ? 161 LEU A CD2 1 ATOM 1008 N N . TYR A 1 135 ? -52.578 15.897 -23.559 1.00 51.46 ? 162 TYR A N 1 ATOM 1009 C CA . TYR A 1 135 ? -51.537 16.534 -24.342 1.00 53.05 ? 162 TYR A CA 1 ATOM 1010 C C . TYR A 1 135 ? -50.439 17.017 -23.390 1.00 60.77 ? 162 TYR A C 1 ATOM 1011 O O . TYR A 1 135 ? -50.301 16.499 -22.270 1.00 59.02 ? 162 TYR A O 1 ATOM 1012 C CB . TYR A 1 135 ? -52.154 17.653 -25.180 1.00 58.63 ? 162 TYR A CB 1 ATOM 1013 C CG . TYR A 1 135 ? -53.274 17.184 -26.085 1.00 57.40 ? 162 TYR A CG 1 ATOM 1014 C CD1 . TYR A 1 135 ? -53.004 16.677 -27.352 1.00 58.12 ? 162 TYR A CD1 1 ATOM 1015 C CD2 . TYR A 1 135 ? -54.600 17.242 -25.670 1.00 54.18 ? 162 TYR A CD2 1 ATOM 1016 C CE1 . TYR A 1 135 ? -54.024 16.242 -28.181 1.00 65.36 ? 162 TYR A CE1 1 ATOM 1017 C CE2 . TYR A 1 135 ? -55.625 16.807 -26.487 1.00 56.08 ? 162 TYR A CE2 1 ATOM 1018 C CZ . TYR A 1 135 ? -55.332 16.311 -27.743 1.00 65.27 ? 162 TYR A CZ 1 ATOM 1019 O OH . TYR A 1 135 ? -56.353 15.882 -28.560 1.00 58.06 ? 162 TYR A OH 1 ATOM 1020 N N . ASP A 1 136 ? -49.663 18.004 -23.830 1.00 51.86 ? 163 ASP A N 1 ATOM 1021 C CA . ASP A 1 136 ? -48.565 18.511 -23.013 1.00 62.73 ? 163 ASP A CA 1 ATOM 1022 C C . ASP A 1 136 ? -49.092 19.370 -21.869 1.00 52.64 ? 163 ASP A C 1 ATOM 1023 O O . ASP A 1 136 ? -49.233 20.591 -22.007 1.00 57.63 ? 163 ASP A O 1 ATOM 1024 C CB . ASP A 1 136 ? -47.567 19.294 -23.870 1.00 55.86 ? 163 ASP A CB 1 ATOM 1025 C CG . ASP A 1 136 ? -46.444 19.913 -23.050 1.00 69.31 ? 163 ASP A CG 1 ATOM 1026 O OD1 . ASP A 1 136 ? -45.871 20.924 -23.507 1.00 58.86 ? 163 ASP A OD1 1 ATOM 1027 O OD2 . ASP A 1 136 ? -46.141 19.402 -21.948 1.00 60.39 ? 163 ASP A OD2 1 ATOM 1028 N N . ARG A 1 137 ? -49.389 18.726 -20.739 1.00 62.32 ? 164 ARG A N 1 ATOM 1029 C CA . ARG A 1 137 ? -49.861 19.380 -19.524 1.00 59.44 ? 164 ARG A CA 1 ATOM 1030 C C . ARG A 1 137 ? -51.177 20.121 -19.733 1.00 60.16 ? 164 ARG A C 1 ATOM 1031 O O . ARG A 1 137 ? -51.517 21.030 -18.965 1.00 51.45 ? 164 ARG A O 1 ATOM 1032 C CB . ARG A 1 137 ? -48.792 20.316 -18.953 1.00 51.67 ? 164 ARG A CB 1 ATOM 1033 C CG . ARG A 1 137 ? -47.601 19.576 -18.358 1.00 65.74 ? 164 ARG A CG 1 ATOM 1034 C CD . ARG A 1 137 ? -46.407 20.503 -18.225 1.00 69.08 ? 164 ARG A CD 1 ATOM 1035 N NE . ARG A 1 137 ? -45.993 21.033 -19.521 1.00 70.09 ? 164 ARG A NE 1 ATOM 1036 C CZ . ARG A 1 137 ? -45.394 22.207 -19.691 1.00 72.98 ? 164 ARG A CZ 1 ATOM 1037 N NH1 . ARG A 1 137 ? -45.054 22.616 -20.909 1.00 65.27 ? 164 ARG A NH1 1 ATOM 1038 N NH2 . ARG A 1 137 ? -45.151 22.981 -18.641 1.00 76.02 ? 164 ARG A NH2 1 ATOM 1039 N N . LEU A 1 138 ? -51.917 19.749 -20.773 1.00 54.04 ? 165 LEU A N 1 ATOM 1040 C CA . LEU A 1 138 ? -53.285 20.197 -20.991 1.00 51.24 ? 165 LEU A CA 1 ATOM 1041 C C . LEU A 1 138 ? -54.113 18.981 -21.371 1.00 55.84 ? 165 LEU A C 1 ATOM 1042 O O . LEU A 1 138 ? -53.691 18.183 -22.213 1.00 52.55 ? 165 LEU A O 1 ATOM 1043 C CB . LEU A 1 138 ? -53.363 21.267 -22.089 1.00 49.04 ? 165 LEU A CB 1 ATOM 1044 C CG . LEU A 1 138 ? -52.762 22.648 -21.814 1.00 55.86 ? 165 LEU A CG 1 ATOM 1045 C CD1 . LEU A 1 138 ? -52.701 23.439 -23.099 1.00 53.74 ? 165 LEU A CD1 1 ATOM 1046 C CD2 . LEU A 1 138 ? -53.588 23.398 -20.767 1.00 57.02 ? 165 LEU A CD2 1 ATOM 1047 N N . ALA A 1 139 ? -55.280 18.836 -20.755 1.00 50.42 ? 166 ALA A N 1 ATOM 1048 C CA . ALA A 1 139 ? -56.192 17.739 -21.046 1.00 53.29 ? 166 ALA A CA 1 ATOM 1049 C C . ALA A 1 139 ? -57.434 18.291 -21.728 1.00 59.32 ? 166 ALA A C 1 ATOM 1050 O O . ALA A 1 139 ? -58.002 19.289 -21.275 1.00 59.35 ? 166 ALA A O 1 ATOM 1051 C CB . ALA A 1 139 ? -56.573 16.983 -19.774 1.00 43.95 ? 166 ALA A CB 1 ATOM 1052 N N . SER A 1 140 ? -57.851 17.647 -22.815 1.00 57.53 ? 167 SER A N 1 ATOM 1053 C CA . SER A 1 140 ? -58.985 18.108 -23.603 1.00 54.16 ? 167 SER A CA 1 ATOM 1054 C C . SER A 1 140 ? -60.023 17.004 -23.743 1.00 60.90 ? 167 SER A C 1 ATOM 1055 O O . SER A 1 140 ? -59.708 15.814 -23.641 1.00 59.62 ? 167 SER A O 1 ATOM 1056 C CB . SER A 1 140 ? -58.548 18.571 -24.997 1.00 52.14 ? 167 SER A CB 1 ATOM 1057 O OG . SER A 1 140 ? -59.671 18.983 -25.758 1.00 53.35 ? 167 SER A OG 1 ATOM 1058 N N . THR A 1 141 ? -61.268 17.411 -23.991 1.00 55.73 ? 168 THR A N 1 ATOM 1059 C CA . THR A 1 141 ? -62.337 16.450 -24.217 1.00 51.88 ? 168 THR A CA 1 ATOM 1060 C C . THR A 1 141 ? -62.426 15.988 -25.665 1.00 56.94 ? 168 THR A C 1 ATOM 1061 O O . THR A 1 141 ? -63.234 15.101 -25.960 1.00 62.50 ? 168 THR A O 1 ATOM 1062 C CB . THR A 1 141 ? -63.689 17.038 -23.792 1.00 57.76 ? 168 THR A CB 1 ATOM 1063 O OG1 . THR A 1 141 ? -63.968 18.222 -24.552 1.00 50.10 ? 168 THR A OG1 1 ATOM 1064 C CG2 . THR A 1 141 ? -63.671 17.384 -22.314 1.00 56.83 ? 168 THR A CG2 1 ATOM 1065 N N . VAL A 1 142 ? -61.630 16.560 -26.572 1.00 43.19 ? 169 VAL A N 1 ATOM 1066 C CA . VAL A 1 142 ? -61.690 16.226 -27.989 1.00 52.62 ? 169 VAL A CA 1 ATOM 1067 C C . VAL A 1 142 ? -60.286 15.972 -28.529 1.00 52.83 ? 169 VAL A C 1 ATOM 1068 O O . VAL A 1 142 ? -59.277 16.305 -27.904 1.00 57.97 ? 169 VAL A O 1 ATOM 1069 C CB . VAL A 1 142 ? -62.394 17.321 -28.824 1.00 54.08 ? 169 VAL A CB 1 ATOM 1070 C CG1 . VAL A 1 142 ? -63.774 17.639 -28.257 1.00 66.05 ? 169 VAL A CG1 1 ATOM 1071 C CG2 . VAL A 1 142 ? -61.536 18.578 -28.900 1.00 56.93 ? 169 VAL A CG2 1 ATOM 1072 N N . ILE A 1 143 ? -60.251 15.386 -29.727 1.00 56.38 ? 170 ILE A N 1 ATOM 1073 C CA . ILE A 1 143 ? -59.024 15.013 -30.426 1.00 60.34 ? 170 ILE A CA 1 ATOM 1074 C C . ILE A 1 143 ? -58.681 16.101 -31.432 1.00 57.21 ? 170 ILE A C 1 ATOM 1075 O O . ILE A 1 143 ? -59.542 16.533 -32.210 1.00 66.51 ? 170 ILE A O 1 ATOM 1076 C CB . ILE A 1 143 ? -59.182 13.662 -31.146 1.00 60.55 ? 170 ILE A CB 1 ATOM 1077 C CG1 . ILE A 1 143 ? -59.469 12.534 -30.158 1.00 58.59 ? 170 ILE A CG1 1 ATOM 1078 C CG2 . ILE A 1 143 ? -57.944 13.346 -31.981 1.00 51.48 ? 170 ILE A CG2 1 ATOM 1079 C CD1 . ILE A 1 143 ? -59.694 11.187 -30.827 1.00 57.84 ? 170 ILE A CD1 1 ATOM 1080 N N . TYR A 1 144 ? -57.419 16.517 -31.446 1.00 54.50 ? 171 TYR A N 1 ATOM 1081 C CA . TYR A 1 144 ? -56.927 17.492 -32.406 1.00 59.25 ? 171 TYR A CA 1 ATOM 1082 C C . TYR A 1 144 ? -56.117 16.807 -33.503 1.00 61.94 ? 171 TYR A C 1 ATOM 1083 O O . TYR A 1 144 ? -55.486 15.772 -33.286 1.00 55.24 ? 171 TYR A O 1 ATOM 1084 C CB . TYR A 1 144 ? -56.085 18.559 -31.712 1.00 60.63 ? 171 TYR A CB 1 ATOM 1085 C CG . TYR A 1 144 ? -56.815 19.245 -30.585 1.00 64.37 ? 171 TYR A CG 1 ATOM 1086 C CD1 . TYR A 1 144 ? -57.871 20.108 -30.849 1.00 57.42 ? 171 TYR A CD1 1 ATOM 1087 C CD2 . TYR A 1 144 ? -56.453 19.034 -29.261 1.00 61.90 ? 171 TYR A CD2 1 ATOM 1088 C CE1 . TYR A 1 144 ? -58.547 20.738 -29.826 1.00 59.27 ? 171 TYR A CE1 1 ATOM 1089 C CE2 . TYR A 1 144 ? -57.120 19.661 -28.231 1.00 60.71 ? 171 TYR A CE2 1 ATOM 1090 C CZ . TYR A 1 144 ? -58.168 20.510 -28.518 1.00 61.69 ? 171 TYR A CZ 1 ATOM 1091 O OH . TYR A 1 144 ? -58.833 21.134 -27.487 1.00 61.83 ? 171 TYR A OH 1 ATOM 1092 N N . ARG A 1 145 ? -56.145 17.404 -34.691 1.00 58.67 ? 172 ARG A N 1 ATOM 1093 C CA . ARG A 1 145 ? -55.509 16.799 -35.858 1.00 57.72 ? 172 ARG A CA 1 ATOM 1094 C C . ARG A 1 145 ? -53.995 16.720 -35.684 1.00 68.16 ? 172 ARG A C 1 ATOM 1095 O O . ARG A 1 145 ? -53.354 17.670 -35.226 1.00 59.90 ? 172 ARG A O 1 ATOM 1096 C CB . ARG A 1 145 ? -55.852 17.605 -37.109 1.00 50.01 ? 172 ARG A CB 1 ATOM 1097 C CG . ARG A 1 145 ? -55.284 17.059 -38.412 1.00 60.98 ? 172 ARG A CG 1 ATOM 1098 C CD . ARG A 1 145 ? -55.305 18.142 -39.479 1.00 65.65 ? 172 ARG A CD 1 ATOM 1099 N NE . ARG A 1 145 ? -56.548 18.911 -39.447 1.00 79.68 ? 172 ARG A NE 1 ATOM 1100 C CZ . ARG A 1 145 ? -56.679 20.130 -39.959 1.00 79.37 ? 172 ARG A CZ 1 ATOM 1101 N NH1 . ARG A 1 145 ? -55.641 20.716 -40.534 1.00 81.63 ? 172 ARG A NH1 1 ATOM 1102 N NH2 . ARG A 1 145 ? -57.843 20.767 -39.888 1.00 67.13 ? 172 ARG A NH2 1 ATOM 1103 N N . GLY A 1 146 ? -53.429 15.567 -36.056 1.00 65.94 ? 173 GLY A N 1 ATOM 1104 C CA . GLY A 1 146 ? -51.996 15.350 -36.120 1.00 63.62 ? 173 GLY A CA 1 ATOM 1105 C C . GLY A 1 146 ? -51.237 15.691 -34.855 1.00 65.38 ? 173 GLY A C 1 ATOM 1106 O O . GLY A 1 146 ? -50.104 16.176 -34.920 1.00 61.12 ? 173 GLY A O 1 ATOM 1107 N N . THR A 1 147 ? -51.842 15.442 -33.696 1.00 58.23 ? 174 THR A N 1 ATOM 1108 C CA . THR A 1 147 ? -51.270 15.848 -32.418 1.00 65.60 ? 174 THR A CA 1 ATOM 1109 C C . THR A 1 147 ? -51.261 14.660 -31.468 1.00 63.07 ? 174 THR A C 1 ATOM 1110 O O . THR A 1 147 ? -52.320 14.108 -31.152 1.00 63.71 ? 174 THR A O 1 ATOM 1111 C CB . THR A 1 147 ? -52.051 17.022 -31.826 1.00 67.61 ? 174 THR A CB 1 ATOM 1112 O OG1 . THR A 1 147 ? -52.127 18.082 -32.787 1.00 61.69 ? 174 THR A OG1 1 ATOM 1113 C CG2 . THR A 1 147 ? -51.359 17.530 -30.587 1.00 59.59 ? 174 THR A CG2 1 ATOM 1114 N N . THR A 1 148 ? -50.069 14.282 -31.008 1.00 59.72 ? 175 THR A N 1 ATOM 1115 C CA . THR A 1 148 ? -49.889 13.057 -30.238 1.00 61.79 ? 175 THR A CA 1 ATOM 1116 C C . THR A 1 148 ? -50.525 13.174 -28.857 1.00 70.62 ? 175 THR A C 1 ATOM 1117 O O . THR A 1 148 ? -50.279 14.141 -28.131 1.00 56.74 ? 175 THR A O 1 ATOM 1118 C CB . THR A 1 148 ? -48.397 12.745 -30.112 1.00 56.54 ? 175 THR A CB 1 ATOM 1119 O OG1 . THR A 1 148 ? -47.834 12.540 -31.414 1.00 61.95 ? 175 THR A OG1 1 ATOM 1120 C CG2 . THR A 1 148 ? -48.172 11.510 -29.263 1.00 55.20 ? 175 THR A CG2 1 ATOM 1121 N N . PHE A 1 149 ? -51.332 12.178 -28.489 1.00 58.07 ? 176 PHE A N 1 ATOM 1122 C CA . PHE A 1 149 ? -52.025 12.183 -27.207 1.00 59.34 ? 176 PHE A CA 1 ATOM 1123 C C . PHE A 1 149 ? -51.981 10.801 -26.567 1.00 62.87 ? 176 PHE A C 1 ATOM 1124 O O . PHE A 1 149 ? -51.742 9.788 -27.231 1.00 63.13 ? 176 PHE A O 1 ATOM 1125 C CB . PHE A 1 149 ? -53.489 12.632 -27.351 1.00 56.09 ? 176 PHE A CB 1 ATOM 1126 C CG . PHE A 1 149 ? -54.341 11.692 -28.159 1.00 60.77 ? 176 PHE A CG 1 ATOM 1127 C CD1 . PHE A 1 149 ? -54.976 10.612 -27.558 1.00 58.61 ? 176 PHE A CD1 1 ATOM 1128 C CD2 . PHE A 1 149 ? -54.525 11.900 -29.518 1.00 55.46 ? 176 PHE A CD2 1 ATOM 1129 C CE1 . PHE A 1 149 ? -55.765 9.751 -28.297 1.00 65.12 ? 176 PHE A CE1 1 ATOM 1130 C CE2 . PHE A 1 149 ? -55.312 11.044 -30.265 1.00 67.58 ? 176 PHE A CE2 1 ATOM 1131 C CZ . PHE A 1 149 ? -55.933 9.966 -29.655 1.00 63.89 ? 176 PHE A CZ 1 ATOM 1132 N N . ALA A 1 150 ? -52.228 10.778 -25.259 1.00 61.11 ? 177 ALA A N 1 ATOM 1133 C CA . ALA A 1 150 ? -52.494 9.561 -24.511 1.00 58.17 ? 177 ALA A CA 1 ATOM 1134 C C . ALA A 1 150 ? -53.848 9.680 -23.825 1.00 59.87 ? 177 ALA A C 1 ATOM 1135 O O . ALA A 1 150 ? -54.257 10.769 -23.414 1.00 59.15 ? 177 ALA A O 1 ATOM 1136 C CB . ALA A 1 150 ? -51.404 9.288 -23.464 1.00 56.54 ? 177 ALA A CB 1 ATOM 1137 N N . GLU A 1 151 ? -54.552 8.555 -23.715 1.00 51.46 ? 178 GLU A N 1 ATOM 1138 C CA . GLU A 1 151 ? -55.818 8.523 -22.994 1.00 64.46 ? 178 GLU A CA 1 ATOM 1139 C C . GLU A 1 151 ? -55.554 8.515 -21.495 1.00 69.12 ? 178 GLU A C 1 ATOM 1140 O O . GLU A 1 151 ? -54.687 7.779 -21.011 1.00 68.35 ? 178 GLU A O 1 ATOM 1141 C CB . GLU A 1 151 ? -56.635 7.292 -23.373 1.00 58.02 ? 178 GLU A CB 1 ATOM 1142 C CG . GLU A 1 151 ? -56.773 7.024 -24.861 1.00 58.78 ? 178 GLU A CG 1 ATOM 1143 C CD . GLU A 1 151 ? -57.419 5.674 -25.137 1.00 73.47 ? 178 GLU A CD 1 ATOM 1144 O OE1 . GLU A 1 151 ? -58.668 5.600 -25.158 1.00 66.42 ? 178 GLU A OE1 1 ATOM 1145 O OE2 . GLU A 1 151 ? -56.676 4.680 -25.293 1.00 64.14 ? 178 GLU A OE2 1 ATOM 1146 N N . GLY A 1 152 ? -56.302 9.324 -20.754 1.00 63.95 ? 179 GLY A N 1 ATOM 1147 C CA . GLY A 1 152 ? -56.075 9.367 -19.325 1.00 55.42 ? 179 GLY A CA 1 ATOM 1148 C C . GLY A 1 152 ? -57.130 10.162 -18.584 1.00 62.20 ? 179 GLY A C 1 ATOM 1149 O O . GLY A 1 152 ? -58.122 10.612 -19.161 1.00 55.43 ? 179 GLY A O 1 ATOM 1150 N N . VAL A 1 153 ? -56.883 10.328 -17.281 1.00 53.90 ? 180 VAL A N 1 ATOM 1151 C CA . VAL A 1 153 ? -57.780 11.010 -16.354 1.00 60.45 ? 180 VAL A CA 1 ATOM 1152 C C . VAL A 1 153 ? -56.944 11.806 -15.355 1.00 67.06 ? 180 VAL A C 1 ATOM 1153 O O . VAL A 1 153 ? -55.749 11.564 -15.185 1.00 56.19 ? 180 VAL A O 1 ATOM 1154 C CB . VAL A 1 153 ? -58.707 10.014 -15.619 1.00 65.13 ? 180 VAL A CB 1 ATOM 1155 C CG1 . VAL A 1 153 ? -59.854 9.568 -16.517 1.00 61.08 ? 180 VAL A CG1 1 ATOM 1156 C CG2 . VAL A 1 153 ? -57.908 8.799 -15.155 1.00 53.76 ? 180 VAL A CG2 1 ATOM 1157 N N . VAL A 1 154 ? -57.597 12.749 -14.670 1.00 57.10 ? 181 VAL A N 1 ATOM 1158 C CA . VAL A 1 154 ? -56.927 13.735 -13.823 1.00 55.91 ? 181 VAL A CA 1 ATOM 1159 C C . VAL A 1 154 ? -57.348 13.552 -12.371 1.00 62.85 ? 181 VAL A C 1 ATOM 1160 O O . VAL A 1 154 ? -58.504 13.222 -12.085 1.00 58.00 ? 181 VAL A O 1 ATOM 1161 C CB . VAL A 1 154 ? -57.225 15.172 -14.302 1.00 60.26 ? 181 VAL A CB 1 ATOM 1162 C CG1 . VAL A 1 154 ? -56.548 16.206 -13.398 1.00 54.79 ? 181 VAL A CG1 1 ATOM 1163 C CG2 . VAL A 1 154 ? -56.767 15.347 -15.732 1.00 58.20 ? 181 VAL A CG2 1 ATOM 1164 N N . ALA A 1 155 ? -56.411 13.788 -11.453 1.00 49.83 ? 182 ALA A N 1 ATOM 1165 C CA . ALA A 1 155 ? -56.677 13.754 -10.025 1.00 63.33 ? 182 ALA A CA 1 ATOM 1166 C C . ALA A 1 155 ? -56.061 14.981 -9.361 1.00 62.05 ? 182 ALA A C 1 ATOM 1167 O O . ALA A 1 155 ? -55.145 15.607 -9.897 1.00 60.44 ? 182 ALA A O 1 ATOM 1168 C CB . ALA A 1 155 ? -56.130 12.474 -9.379 1.00 55.50 ? 182 ALA A CB 1 ATOM 1169 N N . PHE A 1 156 ? -56.580 15.324 -8.183 1.00 58.19 ? 183 PHE A N 1 ATOM 1170 C CA . PHE A 1 156 ? -56.141 16.495 -7.435 1.00 61.64 ? 183 PHE A CA 1 ATOM 1171 C C . PHE A 1 156 ? -55.750 16.075 -6.024 1.00 68.53 ? 183 PHE A C 1 ATOM 1172 O O . PHE A 1 156 ? -56.487 15.332 -5.372 1.00 65.12 ? 183 PHE A O 1 ATOM 1173 C CB . PHE A 1 156 ? -57.235 17.561 -7.390 1.00 59.30 ? 183 PHE A CB 1 ATOM 1174 C CG . PHE A 1 156 ? -57.723 17.990 -8.740 1.00 59.03 ? 183 PHE A CG 1 ATOM 1175 C CD1 . PHE A 1 156 ? -57.053 18.974 -9.450 1.00 59.35 ? 183 PHE A CD1 1 ATOM 1176 C CD2 . PHE A 1 156 ? -58.853 17.412 -9.301 1.00 64.16 ? 183 PHE A CD2 1 ATOM 1177 C CE1 . PHE A 1 156 ? -57.499 19.377 -10.694 1.00 58.80 ? 183 PHE A CE1 1 ATOM 1178 C CE2 . PHE A 1 156 ? -59.308 17.809 -10.545 1.00 54.61 ? 183 PHE A CE2 1 ATOM 1179 C CZ . PHE A 1 156 ? -58.626 18.793 -11.243 1.00 58.81 ? 183 PHE A CZ 1 ATOM 1180 N N . LEU A 1 157 ? -54.607 16.573 -5.549 1.00 59.42 ? 184 LEU A N 1 ATOM 1181 C CA . LEU A 1 157 ? -54.008 16.087 -4.315 1.00 61.63 ? 184 LEU A CA 1 ATOM 1182 C C . LEU A 1 157 ? -53.623 17.229 -3.384 1.00 62.04 ? 184 LEU A C 1 ATOM 1183 O O . LEU A 1 157 ? -53.308 18.339 -3.822 1.00 63.56 ? 184 LEU A O 1 ATOM 1184 C CB . LEU A 1 157 ? -52.747 15.253 -4.598 1.00 65.42 ? 184 LEU A CB 1 ATOM 1185 C CG . LEU A 1 157 ? -52.871 13.999 -5.460 1.00 75.71 ? 184 LEU A CG 1 ATOM 1186 C CD1 . LEU A 1 157 ? -51.518 13.654 -6.049 1.00 75.39 ? 184 LEU A CD1 1 ATOM 1187 C CD2 . LEU A 1 157 ? -53.406 12.831 -4.644 1.00 71.76 ? 184 LEU A CD2 1 ATOM 1188 N N . ILE A 1 158 ? -53.634 16.927 -2.087 1.00 59.25 ? 185 ILE A N 1 ATOM 1189 C CA . ILE A 1 158 ? -52.977 17.738 -1.066 1.00 65.64 ? 185 ILE A CA 1 ATOM 1190 C C . ILE A 1 158 ? -51.792 16.936 -0.550 1.00 72.31 ? 185 ILE A C 1 ATOM 1191 O O . ILE A 1 158 ? -51.963 15.807 -0.069 1.00 75.97 ? 185 ILE A O 1 ATOM 1192 C CB . ILE A 1 158 ? -53.919 18.105 0.090 1.00 78.58 ? 185 ILE A CB 1 ATOM 1193 C CG1 . ILE A 1 158 ? -55.253 18.644 -0.414 1.00 95.20 ? 185 ILE A CG1 1 ATOM 1194 C CG2 . ILE A 1 158 ? -53.262 19.143 0.988 1.00 74.37 ? 185 ILE A CG2 1 ATOM 1195 C CD1 . ILE A 1 158 ? -56.227 18.952 0.714 1.00 95.91 ? 185 ILE A CD1 1 ATOM 1196 N N . LEU A 1 159 ? -50.601 17.510 -0.637 1.00 83.05 ? 186 LEU A N 1 ATOM 1197 C CA . LEU A 1 159 ? -49.471 16.726 -0.160 1.00 83.02 ? 186 LEU A CA 1 ATOM 1198 C C . LEU A 1 159 ? -49.234 16.971 1.327 1.00 91.81 ? 186 LEU A C 1 ATOM 1199 O O . LEU A 1 159 ? -49.570 18.040 1.848 1.00 97.79 ? 186 LEU A O 1 ATOM 1200 C CB . LEU A 1 159 ? -48.212 17.081 -0.943 1.00 80.36 ? 186 LEU A CB 1 ATOM 1201 C CG . LEU A 1 159 ? -48.377 17.087 -2.462 1.00 89.62 ? 186 LEU A CG 1 ATOM 1202 C CD1 . LEU A 1 159 ? -47.050 17.375 -3.151 1.00 91.36 ? 186 LEU A CD1 1 ATOM 1203 C CD2 . LEU A 1 159 ? -48.976 15.770 -2.936 1.00 82.51 ? 186 LEU A CD2 1 ATOM 1204 N N . PRO A 1 160 ? -48.667 16.000 2.038 1.00 84.25 ? 187 PRO A N 1 ATOM 1205 C CA . PRO A 1 160 ? -48.343 16.220 3.450 1.00 94.12 ? 187 PRO A CA 1 ATOM 1206 C C . PRO A 1 160 ? -47.259 17.274 3.613 1.00 100.73 ? 187 PRO A C 1 ATOM 1207 O O . PRO A 1 160 ? -46.579 17.668 2.662 1.00 110.30 ? 187 PRO A O 1 ATOM 1208 C CB . PRO A 1 160 ? -47.853 14.848 3.928 1.00 83.90 ? 187 PRO A CB 1 ATOM 1209 C CG . PRO A 1 160 ? -48.389 13.876 2.935 1.00 86.19 ? 187 PRO A CG 1 ATOM 1210 C CD . PRO A 1 160 ? -48.416 14.608 1.627 1.00 87.25 ? 187 PRO A CD 1 ATOM 1211 N N . GLN A 1 161 ? -47.113 17.736 4.855 1.00 110.44 ? 188 GLN A N 1 ATOM 1212 C CA . GLN A 1 161 ? -46.040 18.668 5.182 1.00 128.67 ? 188 GLN A CA 1 ATOM 1213 C C . GLN A 1 161 ? -44.679 18.056 4.877 1.00 141.71 ? 188 GLN A C 1 ATOM 1214 O O . GLN A 1 161 ? -43.881 18.620 4.120 1.00 149.33 ? 188 GLN A O 1 ATOM 1215 C CB . GLN A 1 161 ? -46.135 19.074 6.654 1.00 142.12 ? 188 GLN A CB 1 ATOM 1216 C CG . GLN A 1 161 ? -47.242 20.065 6.962 1.00 151.39 ? 188 GLN A CG 1 ATOM 1217 C CD . GLN A 1 161 ? -46.918 21.468 6.484 1.00 149.21 ? 188 GLN A CD 1 ATOM 1218 O OE1 . GLN A 1 161 ? -46.332 22.268 7.216 1.00 141.85 ? 188 GLN A OE1 1 ATOM 1219 N NE2 . GLN A 1 161 ? -47.298 21.774 5.249 1.00 137.19 ? 188 GLN A NE2 1 ATOM 1220 N N . ALA A 1 162 ? -44.403 16.890 5.454 1.00 136.13 ? 189 ALA A N 1 ATOM 1221 C CA . ALA A 1 162 ? -43.148 16.190 5.220 1.00 141.88 ? 189 ALA A CA 1 ATOM 1222 C C . ALA A 1 162 ? -43.250 15.385 3.925 1.00 150.20 ? 189 ALA A C 1 ATOM 1223 O O . ALA A 1 162 ? -44.220 15.493 3.169 1.00 159.31 ? 189 ALA A O 1 ATOM 1224 C CB . ALA A 1 162 ? -42.802 15.314 6.421 1.00 138.65 ? 189 ALA A CB 1 ATOM 1225 N N . LYS A 1 163 ? -42.240 14.562 3.655 1.00 154.13 ? 190 LYS A N 1 ATOM 1226 C CA . LYS A 1 163 ? -42.224 13.752 2.446 1.00 154.68 ? 190 LYS A CA 1 ATOM 1227 C C . LYS A 1 163 ? -41.263 12.589 2.640 1.00 165.12 ? 190 LYS A C 1 ATOM 1228 O O . LYS A 1 163 ? -40.233 12.722 3.305 1.00 177.15 ? 190 LYS A O 1 ATOM 1229 C CB . LYS A 1 163 ? -41.819 14.581 1.222 1.00 155.24 ? 190 LYS A CB 1 ATOM 1230 N N . LYS A 1 164 ? -41.614 11.451 2.046 1.00 158.64 ? 191 LYS A N 1 ATOM 1231 C CA . LYS A 1 164 ? -40.774 10.260 2.096 1.00 151.65 ? 191 LYS A CA 1 ATOM 1232 C C . LYS A 1 164 ? -41.114 9.313 0.950 1.00 156.97 ? 191 LYS A C 1 ATOM 1233 O O . LYS A 1 164 ? -41.926 9.639 0.084 1.00 154.65 ? 191 LYS A O 1 ATOM 1234 C CB . LYS A 1 164 ? -40.931 9.545 3.439 1.00 135.30 ? 191 LYS A CB 1 ATOM 1235 N N . SER A 1 184 ? -31.821 5.942 -17.359 1.00 177.64 ? 211 SER A N 1 ATOM 1236 C CA . SER A 1 184 ? -32.023 5.674 -18.779 1.00 183.55 ? 211 SER A CA 1 ATOM 1237 C C . SER A 1 184 ? -32.602 6.890 -19.493 1.00 178.21 ? 211 SER A C 1 ATOM 1238 O O . SER A 1 184 ? -33.204 7.761 -18.867 1.00 171.96 ? 211 SER A O 1 ATOM 1239 C CB . SER A 1 184 ? -32.941 4.467 -18.975 1.00 180.08 ? 211 SER A CB 1 ATOM 1240 O OG . SER A 1 184 ? -33.310 4.331 -20.337 1.00 176.71 ? 211 SER A OG 1 ATOM 1241 N N . GLY A 1 185 ? -32.420 6.935 -20.809 1.00 161.57 ? 212 GLY A N 1 ATOM 1242 C CA . GLY A 1 185 ? -32.878 8.040 -21.624 1.00 139.27 ? 212 GLY A CA 1 ATOM 1243 C C . GLY A 1 185 ? -34.308 7.872 -22.094 1.00 123.17 ? 212 GLY A C 1 ATOM 1244 O O . GLY A 1 185 ? -35.106 7.138 -21.506 1.00 117.21 ? 212 GLY A O 1 ATOM 1245 N N . TYR A 1 186 ? -34.630 8.567 -23.184 1.00 112.98 ? 213 TYR A N 1 ATOM 1246 C CA . TYR A 1 186 ? -35.977 8.582 -23.741 1.00 96.25 ? 213 TYR A CA 1 ATOM 1247 C C . TYR A 1 186 ? -35.913 8.200 -25.212 1.00 100.95 ? 213 TYR A C 1 ATOM 1248 O O . TYR A 1 186 ? -35.308 8.916 -26.016 1.00 99.20 ? 213 TYR A O 1 ATOM 1249 C CB . TYR A 1 186 ? -36.625 9.959 -23.563 1.00 80.27 ? 213 TYR A CB 1 ATOM 1250 C CG . TYR A 1 186 ? -37.943 10.124 -24.288 1.00 74.36 ? 213 TYR A CG 1 ATOM 1251 C CD1 . TYR A 1 186 ? -38.913 9.129 -24.244 1.00 75.06 ? 213 TYR A CD1 1 ATOM 1252 C CD2 . TYR A 1 186 ? -38.222 11.282 -25.003 1.00 78.02 ? 213 TYR A CD2 1 ATOM 1253 C CE1 . TYR A 1 186 ? -40.120 9.277 -24.905 1.00 70.17 ? 213 TYR A CE1 1 ATOM 1254 C CE2 . TYR A 1 186 ? -39.427 11.440 -25.664 1.00 72.41 ? 213 TYR A CE2 1 ATOM 1255 C CZ . TYR A 1 186 ? -40.371 10.436 -25.612 1.00 73.61 ? 213 TYR A CZ 1 ATOM 1256 O OH . TYR A 1 186 ? -41.569 10.595 -26.271 1.00 72.56 ? 213 TYR A OH 1 ATOM 1257 N N . TYR A 1 187 ? -36.534 7.074 -25.560 1.00 103.82 ? 214 TYR A N 1 ATOM 1258 C CA . TYR A 1 187 ? -36.621 6.604 -26.935 1.00 110.97 ? 214 TYR A CA 1 ATOM 1259 C C . TYR A 1 187 ? -38.080 6.582 -27.371 1.00 102.41 ? 214 TYR A C 1 ATOM 1260 O O . TYR A 1 187 ? -38.963 6.206 -26.594 1.00 104.55 ? 214 TYR A O 1 ATOM 1261 C CB . TYR A 1 187 ? -36.011 5.204 -27.089 1.00 114.38 ? 214 TYR A CB 1 ATOM 1262 C CG . TYR A 1 187 ? -34.551 5.111 -26.703 1.00 139.58 ? 214 TYR A CG 1 ATOM 1263 C CD1 . TYR A 1 187 ? -33.549 5.332 -27.639 1.00 152.13 ? 214 TYR A CD1 1 ATOM 1264 C CD2 . TYR A 1 187 ? -34.176 4.792 -25.405 1.00 138.14 ? 214 TYR A CD2 1 ATOM 1265 C CE1 . TYR A 1 187 ? -32.214 5.244 -27.291 1.00 158.67 ? 214 TYR A CE1 1 ATOM 1266 C CE2 . TYR A 1 187 ? -32.844 4.702 -25.048 1.00 146.91 ? 214 TYR A CE2 1 ATOM 1267 C CZ . TYR A 1 187 ? -31.868 4.929 -25.994 1.00 156.42 ? 214 TYR A CZ 1 ATOM 1268 O OH . TYR A 1 187 ? -30.541 4.840 -25.643 1.00 167.83 ? 214 TYR A OH 1 ATOM 1269 N N . SER A 1 188 ? -38.327 6.986 -28.616 1.00 76.68 ? 215 SER A N 1 ATOM 1270 C CA . SER A 1 188 ? -39.671 7.013 -29.174 1.00 71.58 ? 215 SER A CA 1 ATOM 1271 C C . SER A 1 188 ? -39.630 6.485 -30.600 1.00 81.13 ? 215 SER A C 1 ATOM 1272 O O . SER A 1 188 ? -38.729 6.825 -31.372 1.00 79.46 ? 215 SER A O 1 ATOM 1273 C CB . SER A 1 188 ? -40.262 8.430 -29.145 1.00 68.83 ? 215 SER A CB 1 ATOM 1274 O OG . SER A 1 188 ? -41.625 8.430 -29.534 1.00 68.08 ? 215 SER A OG 1 ATOM 1275 N N . THR A 1 189 ? -40.607 5.646 -30.940 1.00 71.71 ? 216 THR A N 1 ATOM 1276 C CA . THR A 1 189 ? -40.685 5.006 -32.246 1.00 74.69 ? 216 THR A CA 1 ATOM 1277 C C . THR A 1 189 ? -42.072 5.230 -32.825 1.00 78.93 ? 216 THR A C 1 ATOM 1278 O O . THR A 1 189 ? -43.076 5.005 -32.139 1.00 72.58 ? 216 THR A O 1 ATOM 1279 C CB . THR A 1 189 ? -40.388 3.504 -32.145 1.00 78.49 ? 216 THR A CB 1 ATOM 1280 O OG1 . THR A 1 189 ? -39.062 3.310 -31.636 1.00 87.13 ? 216 THR A OG1 1 ATOM 1281 C CG2 . THR A 1 189 ? -40.507 2.839 -33.511 1.00 87.92 ? 216 THR A CG2 1 ATOM 1282 N N . THR A 1 190 ? -42.129 5.670 -34.079 1.00 73.69 ? 217 THR A N 1 ATOM 1283 C CA . THR A 1 190 ? -43.388 5.925 -34.766 1.00 75.96 ? 217 THR A CA 1 ATOM 1284 C C . THR A 1 190 ? -43.793 4.703 -35.580 1.00 69.92 ? 217 THR A C 1 ATOM 1285 O O . THR A 1 190 ? -42.987 4.161 -36.344 1.00 79.46 ? 217 THR A O 1 ATOM 1286 C CB . THR A 1 190 ? -43.280 7.154 -35.670 1.00 85.18 ? 217 THR A CB 1 ATOM 1287 O OG1 . THR A 1 190 ? -43.135 8.329 -34.862 1.00 80.12 ? 217 THR A OG1 1 ATOM 1288 C CG2 . THR A 1 190 ? -44.522 7.295 -36.545 1.00 86.11 ? 217 THR A CG2 1 ATOM 1289 N N . ILE A 1 191 ? -45.041 4.276 -35.411 1.00 76.94 ? 218 ILE A N 1 ATOM 1290 C CA . ILE A 1 191 ? -45.616 3.136 -36.117 1.00 71.34 ? 218 ILE A CA 1 ATOM 1291 C C . ILE A 1 191 ? -46.792 3.652 -36.933 1.00 74.66 ? 218 ILE A C 1 ATOM 1292 O O . ILE A 1 191 ? -47.760 4.174 -36.367 1.00 66.12 ? 218 ILE A O 1 ATOM 1293 C CB . ILE A 1 191 ? -46.063 2.037 -35.143 1.00 77.00 ? 218 ILE A CB 1 ATOM 1294 C CG1 . ILE A 1 191 ? -44.907 1.655 -34.219 1.00 76.63 ? 218 ILE A CG1 1 ATOM 1295 C CG2 . ILE A 1 191 ? -46.564 0.822 -35.898 1.00 67.28 ? 218 ILE A CG2 1 ATOM 1296 C CD1 . ILE A 1 191 ? -45.253 0.585 -33.209 1.00 65.95 ? 218 ILE A CD1 1 ATOM 1297 N N . ARG A 1 192 ? -46.715 3.506 -38.255 1.00 77.54 ? 219 ARG A N 1 ATOM 1298 C CA . ARG A 1 192 ? -47.670 4.131 -39.161 1.00 77.49 ? 219 ARG A CA 1 ATOM 1299 C C . ARG A 1 192 ? -48.712 3.132 -39.651 1.00 71.49 ? 219 ARG A C 1 ATOM 1300 O O . ARG A 1 192 ? -48.411 1.954 -39.867 1.00 73.38 ? 219 ARG A O 1 ATOM 1301 C CB . ARG A 1 192 ? -46.942 4.769 -40.346 1.00 72.45 ? 219 ARG A CB 1 ATOM 1302 C CG . ARG A 1 192 ? -46.083 5.952 -39.930 1.00 82.96 ? 219 ARG A CG 1 ATOM 1303 C CD . ARG A 1 192 ? -45.421 6.648 -41.105 1.00 90.53 ? 219 ARG A CD 1 ATOM 1304 N NE . ARG A 1 192 ? -44.960 7.982 -40.729 1.00 106.51 ? 219 ARG A NE 1 ATOM 1305 C CZ . ARG A 1 192 ? -43.810 8.232 -40.112 1.00 110.94 ? 219 ARG A CZ 1 ATOM 1306 N NH1 . ARG A 1 192 ? -43.480 9.479 -39.806 1.00 111.96 ? 219 ARG A NH1 1 ATOM 1307 N NH2 . ARG A 1 192 ? -42.990 7.238 -39.802 1.00 105.15 ? 219 ARG A NH2 1 ATOM 1308 N N . TYR A 1 193 ? -49.944 3.617 -39.815 1.00 73.45 ? 220 TYR A N 1 ATOM 1309 C CA . TYR A 1 193 ? -51.072 2.803 -40.247 1.00 72.48 ? 220 TYR A CA 1 ATOM 1310 C C . TYR A 1 193 ? -51.888 3.558 -41.286 1.00 75.53 ? 220 TYR A C 1 ATOM 1311 O O . TYR A 1 193 ? -51.944 4.790 -41.281 1.00 89.73 ? 220 TYR A O 1 ATOM 1312 C CB . TYR A 1 193 ? -52.015 2.431 -39.089 1.00 72.01 ? 220 TYR A CB 1 ATOM 1313 C CG . TYR A 1 193 ? -51.377 1.781 -37.883 1.00 66.61 ? 220 TYR A CG 1 ATOM 1314 C CD1 . TYR A 1 193 ? -50.765 2.550 -36.901 1.00 69.14 ? 220 TYR A CD1 1 ATOM 1315 C CD2 . TYR A 1 193 ? -51.431 0.404 -37.701 1.00 71.74 ? 220 TYR A CD2 1 ATOM 1316 C CE1 . TYR A 1 193 ? -50.201 1.968 -35.787 1.00 65.99 ? 220 TYR A CE1 1 ATOM 1317 C CE2 . TYR A 1 193 ? -50.866 -0.190 -36.587 1.00 72.72 ? 220 TYR A CE2 1 ATOM 1318 C CZ . TYR A 1 193 ? -50.254 0.598 -35.632 1.00 80.88 ? 220 TYR A CZ 1 ATOM 1319 O OH . TYR A 1 193 ? -49.689 0.016 -34.519 1.00 70.68 ? 220 TYR A OH 1 ATOM 1320 N N . GLN A 1 194 ? -52.534 2.801 -42.169 1.00 80.95 ? 221 GLN A N 1 ATOM 1321 C CA . GLN A 1 194 ? -53.581 3.311 -43.041 1.00 88.83 ? 221 GLN A CA 1 ATOM 1322 C C . GLN A 1 194 ? -54.913 2.699 -42.624 1.00 92.43 ? 221 GLN A C 1 ATOM 1323 O O . GLN A 1 194 ? -54.969 1.554 -42.165 1.00 82.53 ? 221 GLN A O 1 ATOM 1324 C CB . GLN A 1 194 ? -53.294 2.997 -44.514 1.00 89.16 ? 221 GLN A CB 1 ATOM 1325 C CG . GLN A 1 194 ? -52.104 3.747 -45.105 1.00 125.28 ? 221 GLN A CG 1 ATOM 1326 C CD . GLN A 1 194 ? -52.418 5.197 -45.439 1.00 135.17 ? 221 GLN A CD 1 ATOM 1327 O OE1 . GLN A 1 194 ? -53.571 5.625 -45.379 1.00 137.32 ? 221 GLN A OE1 1 ATOM 1328 N NE2 . GLN A 1 194 ? -51.390 5.958 -45.800 1.00 135.98 ? 221 GLN A NE2 1 ATOM 1329 N N . ALA A 1 195 ? -55.988 3.469 -42.775 1.00 83.72 ? 222 ALA A N 1 ATOM 1330 C CA . ALA A 1 195 ? -57.296 3.040 -42.303 1.00 75.36 ? 222 ALA A CA 1 ATOM 1331 C C . ALA A 1 195 ? -58.376 3.470 -43.283 1.00 86.95 ? 222 ALA A C 1 ATOM 1332 O O . ALA A 1 195 ? -58.278 4.519 -43.922 1.00 87.48 ? 222 ALA A O 1 ATOM 1333 C CB . ALA A 1 195 ? -57.602 3.607 -40.909 1.00 72.96 ? 222 ALA A CB 1 ATOM 1334 N N . THR A 1 196 ? -59.406 2.636 -43.399 1.00 85.37 ? 223 THR A N 1 ATOM 1335 C CA . THR A 1 196 ? -60.614 2.967 -44.140 1.00 80.86 ? 223 THR A CA 1 ATOM 1336 C C . THR A 1 196 ? -61.820 2.699 -43.254 1.00 89.45 ? 223 THR A C 1 ATOM 1337 O O . THR A 1 196 ? -61.776 1.848 -42.360 1.00 87.55 ? 223 THR A O 1 ATOM 1338 C CB . THR A 1 196 ? -60.748 2.164 -45.447 1.00 89.99 ? 223 THR A CB 1 ATOM 1339 O OG1 . THR A 1 196 ? -60.708 0.759 -45.159 1.00 100.90 ? 223 THR A OG1 1 ATOM 1340 C CG2 . THR A 1 196 ? -59.630 2.519 -46.418 1.00 93.56 ? 223 THR A CG2 1 ATOM 1341 N N . GLY A 1 197 ? -62.898 3.432 -43.512 1.00 91.27 ? 224 GLY A N 1 ATOM 1342 C CA . GLY A 1 197 ? -64.086 3.319 -42.683 1.00 92.99 ? 224 GLY A CA 1 ATOM 1343 C C . GLY A 1 197 ? -63.826 3.652 -41.231 1.00 87.34 ? 224 GLY A C 1 ATOM 1344 O O . GLY A 1 197 ? -64.349 2.975 -40.337 1.00 96.97 ? 224 GLY A O 1 ATOM 1345 N N . PHE A 1 198 ? -63.019 4.679 -40.976 1.00 88.63 ? 225 PHE A N 1 ATOM 1346 C CA . PHE A 1 198 ? -62.640 5.011 -39.612 1.00 82.79 ? 225 PHE A CA 1 ATOM 1347 C C . PHE A 1 198 ? -63.855 5.433 -38.800 1.00 87.88 ? 225 PHE A C 1 ATOM 1348 O O . PHE A 1 198 ? -64.734 6.149 -39.286 1.00 97.20 ? 225 PHE A O 1 ATOM 1349 C CB . PHE A 1 198 ? -61.599 6.129 -39.610 1.00 70.93 ? 225 PHE A CB 1 ATOM 1350 C CG . PHE A 1 198 ? -61.126 6.515 -38.239 1.00 74.10 ? 225 PHE A CG 1 ATOM 1351 C CD1 . PHE A 1 198 ? -61.716 7.567 -37.557 1.00 80.75 ? 225 PHE A CD1 1 ATOM 1352 C CD2 . PHE A 1 198 ? -60.084 5.832 -37.637 1.00 75.70 ? 225 PHE A CD2 1 ATOM 1353 C CE1 . PHE A 1 198 ? -61.283 7.926 -36.293 1.00 78.58 ? 225 PHE A CE1 1 ATOM 1354 C CE2 . PHE A 1 198 ? -59.641 6.186 -36.374 1.00 78.67 ? 225 PHE A CE2 1 ATOM 1355 C CZ . PHE A 1 198 ? -60.243 7.237 -35.700 1.00 69.28 ? 225 PHE A CZ 1 ATOM 1356 N N . GLY A 1 199 ? -63.895 4.983 -37.549 1.00 88.84 ? 226 GLY A N 1 ATOM 1357 C CA . GLY A 1 199 ? -64.973 5.372 -36.663 1.00 89.99 ? 226 GLY A CA 1 ATOM 1358 C C . GLY A 1 199 ? -66.296 4.700 -36.930 1.00 99.93 ? 226 GLY A C 1 ATOM 1359 O O . GLY A 1 199 ? -67.330 5.197 -36.474 1.00 108.00 ? 226 GLY A O 1 ATOM 1360 N N . THR A 1 200 ? -66.305 3.583 -37.657 1.00 98.11 ? 227 THR A N 1 ATOM 1361 C CA . THR A 1 200 ? -67.543 2.851 -37.894 1.00 99.33 ? 227 THR A CA 1 ATOM 1362 C C . THR A 1 200 ? -67.412 1.404 -37.442 1.00 110.43 ? 227 THR A C 1 ATOM 1363 O O . THR A 1 200 ? -66.407 1.021 -36.836 1.00 105.33 ? 227 THR A O 1 ATOM 1364 C CB . THR A 1 200 ? -67.927 2.896 -39.375 1.00 104.75 ? 227 THR A CB 1 ATOM 1365 O OG1 . THR A 1 200 ? -66.998 2.117 -40.132 1.00 98.93 ? 227 THR A OG1 1 ATOM 1366 C CG2 . THR A 1 200 ? -67.911 4.326 -39.885 1.00 102.07 ? 227 THR A CG2 1 ATOM 1367 N N . ASN A 1 201 ? -68.426 0.591 -37.743 1.00 125.25 ? 228 ASN A N 1 ATOM 1368 C CA . ASN A 1 201 ? -68.402 -0.822 -37.393 1.00 138.02 ? 228 ASN A CA 1 ATOM 1369 C C . ASN A 1 201 ? -67.570 -1.660 -38.355 1.00 136.90 ? 228 ASN A C 1 ATOM 1370 O O . ASN A 1 201 ? -67.273 -2.817 -38.041 1.00 138.40 ? 228 ASN A O 1 ATOM 1371 C CB . ASN A 1 201 ? -69.833 -1.372 -37.338 1.00 159.63 ? 228 ASN A CB 1 ATOM 1372 C CG . ASN A 1 201 ? -70.601 -1.137 -38.629 1.00 187.01 ? 228 ASN A CG 1 ATOM 1373 O OD1 . ASN A 1 201 ? -70.022 -0.733 -39.634 1.00 178.51 ? 228 ASN A OD1 1 ATOM 1374 N ND2 . ASN A 1 201 ? -71.909 -1.391 -38.611 1.00 227.26 ? 228 ASN A ND2 1 ATOM 1375 N N . GLU A 1 202 ? -67.191 -1.109 -39.509 1.00 135.72 ? 229 GLU A N 1 ATOM 1376 C CA . GLU A 1 202 ? -66.484 -1.865 -40.537 1.00 120.98 ? 229 GLU A CA 1 ATOM 1377 C C . GLU A 1 202 ? -65.131 -1.241 -40.857 1.00 108.21 ? 229 GLU A C 1 ATOM 1378 O O . GLU A 1 202 ? -64.799 -1.039 -42.030 1.00 116.98 ? 229 GLU A O 1 ATOM 1379 C CB . GLU A 1 202 ? -67.331 -1.947 -41.809 1.00 126.01 ? 229 GLU A CB 1 ATOM 1380 C CG . GLU A 1 202 ? -68.631 -2.720 -41.657 1.00 146.43 ? 229 GLU A CG 1 ATOM 1381 C CD . GLU A 1 202 ? -68.487 -4.185 -42.014 1.00 167.34 ? 229 GLU A CD 1 ATOM 1382 O OE1 . GLU A 1 202 ? -69.524 -4.862 -42.183 1.00 176.43 ? 229 GLU A OE1 1 ATOM 1383 O OE2 . GLU A 1 202 ? -67.338 -4.660 -42.133 1.00 172.55 ? 229 GLU A OE2 1 ATOM 1384 N N . THR A 1 203 ? -64.342 -0.937 -39.831 1.00 115.20 ? 230 THR A N 1 ATOM 1385 C CA . THR A 1 203 ? -63.038 -0.324 -40.041 1.00 106.93 ? 230 THR A CA 1 ATOM 1386 C C . THR A 1 203 ? -61.994 -1.385 -40.361 1.00 102.13 ? 230 THR A C 1 ATOM 1387 O O . THR A 1 203 ? -61.973 -2.460 -39.755 1.00 112.93 ? 230 THR A O 1 ATOM 1388 C CB . THR A 1 203 ? -62.610 0.469 -38.805 1.00 107.69 ? 230 THR A CB 1 ATOM 1389 O OG1 . THR A 1 203 ? -63.696 1.294 -38.366 1.00 113.77 ? 230 THR A OG1 1 ATOM 1390 C CG2 . THR A 1 203 ? -61.417 1.355 -39.129 1.00 100.84 ? 230 THR A CG2 1 ATOM 1391 N N . GLU A 1 204 ? -61.126 -1.079 -41.322 1.00 93.34 ? 231 GLU A N 1 ATOM 1392 C CA . GLU A 1 204 ? -60.029 -1.957 -41.702 1.00 89.84 ? 231 GLU A CA 1 ATOM 1393 C C . GLU A 1 204 ? -58.711 -1.203 -41.593 1.00 90.04 ? 231 GLU A C 1 ATOM 1394 O O . GLU A 1 204 ? -58.620 -0.032 -41.976 1.00 86.48 ? 231 GLU A O 1 ATOM 1395 C CB . GLU A 1 204 ? -60.219 -2.501 -43.121 1.00 92.49 ? 231 GLU A CB 1 ATOM 1396 C CG . GLU A 1 204 ? -61.374 -3.484 -43.243 1.00 111.98 ? 231 GLU A CG 1 ATOM 1397 C CD . GLU A 1 204 ? -61.540 -4.029 -44.648 1.00 142.03 ? 231 GLU A CD 1 ATOM 1398 O OE1 . GLU A 1 204 ? -60.876 -3.514 -45.571 1.00 147.44 ? 231 GLU A OE1 1 ATOM 1399 O OE2 . GLU A 1 204 ? -62.336 -4.976 -44.828 1.00 152.74 ? 231 GLU A OE2 1 ATOM 1400 N N . TYR A 1 205 ? -57.694 -1.880 -41.067 1.00 89.51 ? 232 TYR A N 1 ATOM 1401 C CA . TYR A 1 205 ? -56.407 -1.268 -40.779 1.00 81.95 ? 232 TYR A CA 1 ATOM 1402 C C . TYR A 1 205 ? -55.285 -2.011 -41.492 1.00 81.68 ? 232 TYR A C 1 ATOM 1403 O O . TYR A 1 205 ? -55.351 -3.227 -41.695 1.00 87.58 ? 232 TYR A O 1 ATOM 1404 C CB . TYR A 1 205 ? -56.129 -1.249 -39.272 1.00 82.18 ? 232 TYR A CB 1 ATOM 1405 C CG . TYR A 1 205 ? -57.016 -0.306 -38.490 1.00 90.48 ? 232 TYR A CG 1 ATOM 1406 C CD1 . TYR A 1 205 ? -58.090 -0.783 -37.748 1.00 95.16 ? 232 TYR A CD1 1 ATOM 1407 C CD2 . TYR A 1 205 ? -56.777 1.062 -38.494 1.00 83.06 ? 232 TYR A CD2 1 ATOM 1408 C CE1 . TYR A 1 205 ? -58.900 0.079 -37.029 1.00 91.17 ? 232 TYR A CE1 1 ATOM 1409 C CE2 . TYR A 1 205 ? -57.584 1.930 -37.781 1.00 93.20 ? 232 TYR A CE2 1 ATOM 1410 C CZ . TYR A 1 205 ? -58.642 1.433 -37.051 1.00 96.53 ? 232 TYR A CZ 1 ATOM 1411 O OH . TYR A 1 205 ? -59.447 2.294 -36.343 1.00 108.78 ? 232 TYR A OH 1 ATOM 1412 N N . LEU A 1 206 ? -54.248 -1.261 -41.860 1.00 72.40 ? 233 LEU A N 1 ATOM 1413 C CA . LEU A 1 206 ? -53.053 -1.806 -42.492 1.00 80.87 ? 233 LEU A CA 1 ATOM 1414 C C . LEU A 1 206 ? -51.823 -1.200 -41.835 1.00 76.59 ? 233 LEU A C 1 ATOM 1415 O O . LEU A 1 206 ? -51.731 0.023 -41.694 1.00 82.65 ? 233 LEU A O 1 ATOM 1416 C CB . LEU A 1 206 ? -53.031 -1.517 -43.998 1.00 73.34 ? 233 LEU A CB 1 ATOM 1417 C CG . LEU A 1 206 ? -54.106 -2.138 -44.889 1.00 88.24 ? 233 LEU A CG 1 ATOM 1418 C CD1 . LEU A 1 206 ? -53.972 -1.592 -46.300 1.00 79.84 ? 233 LEU A CD1 1 ATOM 1419 C CD2 . LEU A 1 206 ? -54.002 -3.654 -44.897 1.00 84.92 ? 233 LEU A CD2 1 ATOM 1420 N N . PHE A 1 207 ? -50.885 -2.055 -41.437 1.00 81.67 ? 234 PHE A N 1 ATOM 1421 C CA . PHE A 1 207 ? -49.597 -1.596 -40.940 1.00 73.65 ? 234 PHE A CA 1 ATOM 1422 C C . PHE A 1 207 ? -48.659 -1.346 -42.114 1.00 82.95 ? 234 PHE A C 1 ATOM 1423 O O . PHE A 1 207 ? -48.574 -2.154 -43.042 1.00 81.79 ? 234 PHE A O 1 ATOM 1424 C CB . PHE A 1 207 ? -49.000 -2.624 -39.977 1.00 83.22 ? 234 PHE A CB 1 ATOM 1425 C CG . PHE A 1 207 ? -47.540 -2.413 -39.681 1.00 81.59 ? 234 PHE A CG 1 ATOM 1426 C CD1 . PHE A 1 207 ? -46.613 -3.397 -39.984 1.00 81.76 ? 234 PHE A CD1 1 ATOM 1427 C CD2 . PHE A 1 207 ? -47.095 -1.235 -39.103 1.00 76.50 ? 234 PHE A CD2 1 ATOM 1428 C CE1 . PHE A 1 207 ? -45.269 -3.213 -39.715 1.00 83.63 ? 234 PHE A CE1 1 ATOM 1429 C CE2 . PHE A 1 207 ? -45.749 -1.045 -38.833 1.00 78.49 ? 234 PHE A CE2 1 ATOM 1430 C CZ . PHE A 1 207 ? -44.837 -2.035 -39.140 1.00 86.23 ? 234 PHE A CZ 1 ATOM 1431 N N . GLU A 1 208 ? -47.961 -0.215 -42.072 1.00 80.98 ? 235 GLU A N 1 ATOM 1432 C CA . GLU A 1 208 ? -47.191 0.273 -43.210 1.00 85.37 ? 235 GLU A CA 1 ATOM 1433 C C . GLU A 1 208 ? -45.721 -0.100 -43.047 1.00 80.61 ? 235 GLU A C 1 ATOM 1434 O O . GLU A 1 208 ? -45.056 0.367 -42.113 1.00 81.08 ? 235 GLU A O 1 ATOM 1435 C CB . GLU A 1 208 ? -47.356 1.786 -43.359 1.00 82.71 ? 235 GLU A CB 1 ATOM 1436 C CG . GLU A 1 208 ? -46.549 2.394 -44.494 1.00 92.47 ? 235 GLU A CG 1 ATOM 1437 C CD . GLU A 1 208 ? -46.850 3.868 -44.708 1.00 96.69 ? 235 GLU A CD 1 ATOM 1438 O OE1 . GLU A 1 208 ? -47.935 4.188 -45.240 1.00 106.87 ? 235 GLU A OE1 1 ATOM 1439 O OE2 . GLU A 1 208 ? -46.003 4.708 -44.337 1.00 94.54 ? 235 GLU A OE2 1 ATOM 1440 N N . VAL A 1 209 ? -45.224 -0.941 -43.949 1.00 76.57 ? 236 VAL A N 1 ATOM 1441 C CA . VAL A 1 209 ? -43.800 -1.263 -44.015 1.00 77.13 ? 236 VAL A CA 1 ATOM 1442 C C . VAL A 1 209 ? -43.041 -0.236 -44.841 1.00 88.81 ? 236 VAL A C 1 ATOM 1443 O O . VAL A 1 209 ? -42.049 0.335 -44.386 1.00 89.61 ? 236 VAL A O 1 ATOM 1444 C CB . VAL A 1 209 ? -43.604 -2.690 -44.567 1.00 84.74 ? 236 VAL A CB 1 ATOM 1445 C CG1 . VAL A 1 209 ? -42.126 -3.003 -44.700 1.00 88.15 ? 236 VAL A CG1 1 ATOM 1446 C CG2 . VAL A 1 209 ? -44.278 -3.711 -43.669 1.00 79.15 ? 236 VAL A CG2 1 ATOM 1447 N N . ASP A 1 210 ? -43.477 -0.002 -46.075 1.00 90.48 ? 237 ASP A N 1 ATOM 1448 C CA . ASP A 1 210 ? -43.071 1.181 -46.831 1.00 84.08 ? 237 ASP A CA 1 ATOM 1449 C C . ASP A 1 210 ? -44.300 1.678 -47.587 1.00 85.58 ? 237 ASP A C 1 ATOM 1450 O O . ASP A 1 210 ? -45.412 1.183 -47.384 1.00 87.16 ? 237 ASP A O 1 ATOM 1451 C CB . ASP A 1 210 ? -41.856 0.884 -47.730 1.00 82.23 ? 237 ASP A CB 1 ATOM 1452 C CG . ASP A 1 210 ? -42.133 -0.183 -48.783 1.00 100.09 ? 237 ASP A CG 1 ATOM 1453 O OD1 . ASP A 1 210 ? -43.294 -0.346 -49.207 1.00 91.97 ? 237 ASP A OD1 1 ATOM 1454 O OD2 . ASP A 1 210 ? -41.172 -0.868 -49.194 1.00 84.94 ? 237 ASP A OD2 1 ATOM 1455 N N . ASN A 1 211 ? -44.104 2.650 -48.476 1.00 85.23 ? 238 ASN A N 1 ATOM 1456 C CA . ASN A 1 211 ? -45.228 3.248 -49.186 1.00 93.84 ? 238 ASN A CA 1 ATOM 1457 C C . ASN A 1 211 ? -45.936 2.277 -50.128 1.00 91.62 ? 238 ASN A C 1 ATOM 1458 O O . ASN A 1 211 ? -47.004 2.618 -50.648 1.00 95.80 ? 238 ASN A O 1 ATOM 1459 C CB . ASN A 1 211 ? -44.758 4.476 -49.965 1.00 109.82 ? 238 ASN A CB 1 ATOM 1460 C CG . ASN A 1 211 ? -44.345 5.623 -49.056 1.00 133.89 ? 238 ASN A CG 1 ATOM 1461 O OD1 . ASN A 1 211 ? -43.655 5.421 -48.056 1.00 136.66 ? 238 ASN A OD1 1 ATOM 1462 N ND2 . ASN A 1 211 ? -44.775 6.833 -49.400 1.00 161.32 ? 238 ASN A ND2 1 ATOM 1463 N N . LEU A 1 212 ? -45.384 1.081 -50.351 1.00 83.47 ? 239 LEU A N 1 ATOM 1464 C CA . LEU A 1 212 ? -45.995 0.105 -51.245 1.00 88.27 ? 239 LEU A CA 1 ATOM 1465 C C . LEU A 1 212 ? -46.100 -1.290 -50.634 1.00 88.85 ? 239 LEU A C 1 ATOM 1466 O O . LEU A 1 212 ? -46.541 -2.219 -51.323 1.00 97.30 ? 239 LEU A O 1 ATOM 1467 C CB . LEU A 1 212 ? -45.228 0.028 -52.568 1.00 94.81 ? 239 LEU A CB 1 ATOM 1468 C CG . LEU A 1 212 ? -45.199 1.281 -53.447 1.00 103.02 ? 239 LEU A CG 1 ATOM 1469 C CD1 . LEU A 1 212 ? -44.339 1.043 -54.678 1.00 89.40 ? 239 LEU A CD1 1 ATOM 1470 C CD2 . LEU A 1 212 ? -46.606 1.696 -53.850 1.00 110.31 ? 239 LEU A CD2 1 ATOM 1471 N N . THR A 1 213 ? -45.716 -1.468 -49.371 1.00 89.04 ? 240 THR A N 1 ATOM 1472 C CA . THR A 1 213 ? -45.748 -2.773 -48.718 1.00 91.21 ? 240 THR A CA 1 ATOM 1473 C C . THR A 1 213 ? -46.469 -2.642 -47.385 1.00 88.74 ? 240 THR A C 1 ATOM 1474 O O . THR A 1 213 ? -46.075 -1.829 -46.542 1.00 83.83 ? 240 THR A O 1 ATOM 1475 C CB . THR A 1 213 ? -44.335 -3.327 -48.514 1.00 86.15 ? 240 THR A CB 1 ATOM 1476 O OG1 . THR A 1 213 ? -43.594 -3.208 -49.735 1.00 93.49 ? 240 THR A OG1 1 ATOM 1477 C CG2 . THR A 1 213 ? -44.398 -4.791 -48.109 1.00 82.33 ? 240 THR A CG2 1 ATOM 1478 N N . TYR A 1 214 ? -47.518 -3.440 -47.195 1.00 90.27 ? 241 TYR A N 1 ATOM 1479 C CA . TYR A 1 214 ? -48.392 -3.303 -46.039 1.00 84.62 ? 241 TYR A CA 1 ATOM 1480 C C . TYR A 1 214 ? -48.714 -4.676 -45.463 1.00 96.45 ? 241 TYR A C 1 ATOM 1481 O O . TYR A 1 214 ? -48.598 -5.703 -46.137 1.00 100.10 ? 241 TYR A O 1 ATOM 1482 C CB . TYR A 1 214 ? -49.689 -2.562 -46.405 1.00 84.46 ? 241 TYR A CB 1 ATOM 1483 C CG . TYR A 1 214 ? -49.486 -1.098 -46.744 1.00 94.35 ? 241 TYR A CG 1 ATOM 1484 C CD1 . TYR A 1 214 ? -49.009 -0.708 -47.992 1.00 100.36 ? 241 TYR A CD1 1 ATOM 1485 C CD2 . TYR A 1 214 ? -49.779 -0.103 -45.815 1.00 80.21 ? 241 TYR A CD2 1 ATOM 1486 C CE1 . TYR A 1 214 ? -48.818 0.625 -48.303 1.00 97.59 ? 241 TYR A CE1 1 ATOM 1487 C CE2 . TYR A 1 214 ? -49.595 1.235 -46.118 1.00 96.94 ? 241 TYR A CE2 1 ATOM 1488 C CZ . TYR A 1 214 ? -49.114 1.592 -47.364 1.00 101.07 ? 241 TYR A CZ 1 ATOM 1489 O OH . TYR A 1 214 ? -48.922 2.915 -47.685 1.00 121.53 ? 241 TYR A OH 1 ATOM 1490 N N . VAL A 1 215 ? -49.124 -4.678 -44.195 1.00 95.09 ? 242 VAL A N 1 ATOM 1491 C CA . VAL A 1 215 ? -49.522 -5.888 -43.483 1.00 82.90 ? 242 VAL A CA 1 ATOM 1492 C C . VAL A 1 215 ? -50.915 -5.667 -42.910 1.00 88.15 ? 242 VAL A C 1 ATOM 1493 O O . VAL A 1 215 ? -51.162 -4.657 -42.242 1.00 81.93 ? 242 VAL A O 1 ATOM 1494 C CB . VAL A 1 215 ? -48.531 -6.250 -42.359 1.00 90.21 ? 242 VAL A CB 1 ATOM 1495 C CG1 . VAL A 1 215 ? -49.024 -7.467 -41.587 1.00 82.51 ? 242 VAL A CG1 1 ATOM 1496 C CG2 . VAL A 1 215 ? -47.144 -6.502 -42.926 1.00 81.74 ? 242 VAL A CG2 1 ATOM 1497 N N . GLN A 1 216 ? -51.821 -6.609 -43.168 1.00 82.50 ? 243 GLN A N 1 ATOM 1498 C CA . GLN A 1 216 ? -53.177 -6.506 -42.645 1.00 89.13 ? 243 GLN A CA 1 ATOM 1499 C C . GLN A 1 216 ? -53.160 -6.653 -41.127 1.00 82.52 ? 243 GLN A C 1 ATOM 1500 O O . GLN A 1 216 ? -52.630 -7.632 -40.592 1.00 94.24 ? 243 GLN A O 1 ATOM 1501 C CB . GLN A 1 216 ? -54.077 -7.562 -43.284 1.00 96.42 ? 243 GLN A CB 1 ATOM 1502 C CG . GLN A 1 216 ? -55.556 -7.206 -43.280 1.00 117.21 ? 243 GLN A CG 1 ATOM 1503 C CD . GLN A 1 216 ? -56.345 -7.991 -44.312 1.00 137.49 ? 243 GLN A CD 1 ATOM 1504 O OE1 . GLN A 1 216 ? -55.803 -8.864 -44.989 1.00 133.41 ? 243 GLN A OE1 1 ATOM 1505 N NE2 . GLN A 1 216 ? -57.630 -7.678 -44.441 1.00 150.20 ? 243 GLN A NE2 1 ATOM 1506 N N . LEU A 1 217 ? -53.746 -5.679 -40.435 1.00 83.42 ? 244 LEU A N 1 ATOM 1507 C CA . LEU A 1 217 ? -53.567 -5.556 -38.994 1.00 84.88 ? 244 LEU A CA 1 ATOM 1508 C C . LEU A 1 217 ? -54.548 -6.432 -38.224 1.00 89.03 ? 244 LEU A C 1 ATOM 1509 O O . LEU A 1 217 ? -55.700 -6.616 -38.631 1.00 104.71 ? 244 LEU A O 1 ATOM 1510 C CB . LEU A 1 217 ? -53.729 -4.096 -38.565 1.00 81.45 ? 244 LEU A CB 1 ATOM 1511 C CG . LEU A 1 217 ? -53.426 -3.790 -37.096 1.00 84.65 ? 244 LEU A CG 1 ATOM 1512 C CD1 . LEU A 1 217 ? -51.974 -4.110 -36.774 1.00 83.14 ? 244 LEU A CD1 1 ATOM 1513 C CD2 . LEU A 1 217 ? -53.751 -2.343 -36.755 1.00 76.19 ? 244 LEU A CD2 1 ATOM 1514 N N . GLU A 1 218 ? -54.078 -6.968 -37.100 1.00 88.13 ? 245 GLU A N 1 ATOM 1515 C CA . GLU A 1 218 ? -54.885 -7.745 -36.173 1.00 92.20 ? 245 GLU A CA 1 ATOM 1516 C C . GLU A 1 218 ? -54.786 -7.130 -34.783 1.00 87.80 ? 245 GLU A C 1 ATOM 1517 O O . GLU A 1 218 ? -53.777 -6.509 -34.434 1.00 92.34 ? 245 GLU A O 1 ATOM 1518 C CB . GLU A 1 218 ? -54.431 -9.210 -36.129 1.00 84.94 ? 245 GLU A CB 1 ATOM 1519 C CG . GLU A 1 218 ? -54.452 -9.906 -37.481 1.00 116.37 ? 245 GLU A CG 1 ATOM 1520 C CD . GLU A 1 218 ? -55.774 -10.585 -37.773 1.00 128.94 ? 245 GLU A CD 1 ATOM 1521 O OE1 . GLU A 1 218 ? -56.090 -11.587 -37.096 1.00 136.92 ? 245 GLU A OE1 1 ATOM 1522 O OE2 . GLU A 1 218 ? -56.498 -10.115 -38.675 1.00 134.42 ? 245 GLU A OE2 1 ATOM 1523 N N . SER A 1 219 ? -55.844 -7.310 -33.987 1.00 89.64 ? 246 SER A N 1 ATOM 1524 C CA . SER A 1 219 ? -55.857 -6.749 -32.638 1.00 95.08 ? 246 SER A CA 1 ATOM 1525 C C . SER A 1 219 ? -54.783 -7.374 -31.758 1.00 98.96 ? 246 SER A C 1 ATOM 1526 O O . SER A 1 219 ? -54.309 -6.738 -30.810 1.00 92.32 ? 246 SER A O 1 ATOM 1527 C CB . SER A 1 219 ? -57.233 -6.934 -31.998 1.00 100.74 ? 246 SER A CB 1 ATOM 1528 O OG . SER A 1 219 ? -58.212 -6.140 -32.646 1.00 115.94 ? 246 SER A OG 1 ATOM 1529 N N . ARG A 1 220 ? -54.383 -8.608 -32.058 1.00 92.61 ? 247 ARG A N 1 ATOM 1530 C CA . ARG A 1 220 ? -53.433 -9.330 -31.224 1.00 88.14 ? 247 ARG A CA 1 ATOM 1531 C C . ARG A 1 220 ? -51.986 -8.919 -31.464 1.00 87.39 ? 247 ARG A C 1 ATOM 1532 O O . ARG A 1 220 ? -51.113 -9.320 -30.688 1.00 103.49 ? 247 ARG A O 1 ATOM 1533 C CB . ARG A 1 220 ? -53.589 -10.835 -31.452 1.00 102.93 ? 247 ARG A CB 1 ATOM 1534 C CG . ARG A 1 220 ? -53.396 -11.266 -32.896 1.00 98.33 ? 247 ARG A CG 1 ATOM 1535 C CD . ARG A 1 220 ? -53.915 -12.677 -33.123 1.00 109.99 ? 247 ARG A CD 1 ATOM 1536 N NE . ARG A 1 220 ? -53.712 -13.121 -34.498 1.00 118.65 ? 247 ARG A NE 1 ATOM 1537 C CZ . ARG A 1 220 ? -52.742 -13.945 -34.882 1.00 128.45 ? 247 ARG A CZ 1 ATOM 1538 N NH1 . ARG A 1 220 ? -52.631 -14.293 -36.156 1.00 138.17 ? 247 ARG A NH1 1 ATOM 1539 N NH2 . ARG A 1 220 ? -51.887 -14.426 -33.990 1.00 127.52 ? 247 ARG A NH2 1 ATOM 1540 N N . PHE A 1 221 ? -51.710 -8.133 -32.502 1.00 90.97 ? 248 PHE A N 1 ATOM 1541 C CA . PHE A 1 221 ? -50.342 -7.724 -32.797 1.00 82.84 ? 248 PHE A CA 1 ATOM 1542 C C . PHE A 1 221 ? -49.874 -6.691 -31.777 1.00 94.80 ? 248 PHE A C 1 ATOM 1543 O O . PHE A 1 221 ? -50.508 -5.644 -31.608 1.00 91.49 ? 248 PHE A O 1 ATOM 1544 C CB . PHE A 1 221 ? -50.251 -7.154 -34.212 1.00 88.51 ? 248 PHE A CB 1 ATOM 1545 C CG . PHE A 1 221 ? -50.517 -8.159 -35.304 1.00 95.44 ? 248 PHE A CG 1 ATOM 1546 C CD1 . PHE A 1 221 ? -50.572 -9.517 -35.028 1.00 91.39 ? 248 PHE A CD1 1 ATOM 1547 C CD2 . PHE A 1 221 ? -50.700 -7.740 -36.613 1.00 87.73 ? 248 PHE A CD2 1 ATOM 1548 C CE1 . PHE A 1 221 ? -50.814 -10.435 -36.034 1.00 92.96 ? 248 PHE A CE1 1 ATOM 1549 C CE2 . PHE A 1 221 ? -50.940 -8.652 -37.625 1.00 92.77 ? 248 PHE A CE2 1 ATOM 1550 C CZ . PHE A 1 221 ? -50.996 -10.001 -37.335 1.00 95.52 ? 248 PHE A CZ 1 ATOM 1551 N N . THR A 1 222 ? -48.767 -6.986 -31.094 1.00 95.06 ? 249 THR A N 1 ATOM 1552 C CA . THR A 1 222 ? -48.139 -6.062 -30.161 1.00 88.04 ? 249 THR A CA 1 ATOM 1553 C C . THR A 1 222 ? -47.196 -5.120 -30.902 1.00 101.18 ? 249 THR A C 1 ATOM 1554 O O . THR A 1 222 ? -46.853 -5.361 -32.063 1.00 93.18 ? 249 THR A O 1 ATOM 1555 C CB . THR A 1 222 ? -47.373 -6.837 -29.089 1.00 88.33 ? 249 THR A CB 1 ATOM 1556 O OG1 . THR A 1 222 ? -46.387 -7.676 -29.704 1.00 95.60 ? 249 THR A OG1 1 ATOM 1557 C CG2 . THR A 1 222 ? -48.326 -7.688 -28.270 1.00 87.69 ? 249 THR A CG2 1 ATOM 1558 N N . PRO A 1 223 ? -46.771 -4.023 -30.264 1.00 94.11 ? 250 PRO A N 1 ATOM 1559 C CA . PRO A 1 223 ? -45.838 -3.108 -30.951 1.00 77.41 ? 250 PRO A CA 1 ATOM 1560 C C . PRO A 1 223 ? -44.538 -3.769 -31.366 1.00 85.05 ? 250 PRO A C 1 ATOM 1561 O O . PRO A 1 223 ? -44.082 -3.574 -32.501 1.00 78.21 ? 250 PRO A O 1 ATOM 1562 C CB . PRO A 1 223 ? -45.606 -2.007 -29.910 1.00 89.90 ? 250 PRO A CB 1 ATOM 1563 C CG . PRO A 1 223 ? -46.846 -1.998 -29.108 1.00 85.06 ? 250 PRO A CG 1 ATOM 1564 C CD . PRO A 1 223 ? -47.250 -3.443 -28.996 1.00 83.71 ? 250 PRO A CD 1 ATOM 1565 N N . GLN A 1 224 ? -43.915 -4.535 -30.467 1.00 80.42 ? 251 GLN A N 1 ATOM 1566 C CA . GLN A 1 224 ? -42.630 -5.144 -30.790 1.00 94.92 ? 251 GLN A CA 1 ATOM 1567 C C . GLN A 1 224 ? -42.775 -6.241 -31.833 1.00 94.32 ? 251 GLN A C 1 ATOM 1568 O O . GLN A 1 224 ? -41.829 -6.502 -32.584 1.00 106.01 ? 251 GLN A O 1 ATOM 1569 C CB . GLN A 1 224 ? -41.964 -5.707 -29.534 1.00 87.14 ? 251 GLN A CB 1 ATOM 1570 C CG . GLN A 1 224 ? -41.781 -4.710 -28.405 1.00 116.73 ? 251 GLN A CG 1 ATOM 1571 C CD . GLN A 1 224 ? -42.991 -4.650 -27.493 1.00 128.08 ? 251 GLN A CD 1 ATOM 1572 O OE1 . GLN A 1 224 ? -44.095 -5.026 -27.886 1.00 115.86 ? 251 GLN A OE1 1 ATOM 1573 N NE2 . GLN A 1 224 ? -42.787 -4.189 -26.264 1.00 137.17 ? 251 GLN A NE2 1 ATOM 1574 N N . PHE A 1 225 ? -43.933 -6.902 -31.889 1.00 82.40 ? 252 PHE A N 1 ATOM 1575 C CA . PHE A 1 225 ? -44.167 -7.854 -32.968 1.00 87.09 ? 252 PHE A CA 1 ATOM 1576 C C . PHE A 1 225 ? -44.213 -7.143 -34.312 1.00 82.69 ? 252 PHE A C 1 ATOM 1577 O O . PHE A 1 225 ? -43.674 -7.642 -35.306 1.00 86.82 ? 252 PHE A O 1 ATOM 1578 C CB . PHE A 1 225 ? -45.461 -8.631 -32.730 1.00 83.35 ? 252 PHE A CB 1 ATOM 1579 C CG . PHE A 1 225 ? -45.853 -9.514 -33.882 1.00 96.51 ? 252 PHE A CG 1 ATOM 1580 C CD1 . PHE A 1 225 ? -46.833 -9.116 -34.778 1.00 90.88 ? 252 PHE A CD1 1 ATOM 1581 C CD2 . PHE A 1 225 ? -45.234 -10.738 -34.077 1.00 101.84 ? 252 PHE A CD2 1 ATOM 1582 C CE1 . PHE A 1 225 ? -47.192 -9.926 -35.841 1.00 92.12 ? 252 PHE A CE1 1 ATOM 1583 C CE2 . PHE A 1 225 ? -45.588 -11.552 -35.138 1.00 110.89 ? 252 PHE A CE2 1 ATOM 1584 C CZ . PHE A 1 225 ? -46.569 -11.145 -36.020 1.00 106.31 ? 252 PHE A CZ 1 ATOM 1585 N N . LEU A 1 226 ? -44.850 -5.971 -34.360 1.00 81.18 ? 253 LEU A N 1 ATOM 1586 C CA . LEU A 1 226 ? -44.894 -5.203 -35.598 1.00 84.52 ? 253 LEU A CA 1 ATOM 1587 C C . LEU A 1 226 ? -43.505 -4.721 -35.998 1.00 88.97 ? 253 LEU A C 1 ATOM 1588 O O . LEU A 1 226 ? -43.162 -4.712 -37.187 1.00 90.32 ? 253 LEU A O 1 ATOM 1589 C CB . LEU A 1 226 ? -45.849 -4.019 -35.447 1.00 87.65 ? 253 LEU A CB 1 ATOM 1590 C CG . LEU A 1 226 ? -47.335 -4.338 -35.271 1.00 73.76 ? 253 LEU A CG 1 ATOM 1591 C CD1 . LEU A 1 226 ? -48.124 -3.075 -34.963 1.00 77.87 ? 253 LEU A CD1 1 ATOM 1592 C CD2 . LEU A 1 226 ? -47.885 -5.020 -36.519 1.00 79.33 ? 253 LEU A CD2 1 ATOM 1593 N N . LEU A 1 227 ? -42.689 -4.319 -35.019 1.00 84.06 ? 254 LEU A N 1 ATOM 1594 C CA . LEU A 1 227 ? -41.358 -3.811 -35.337 1.00 81.57 ? 254 LEU A CA 1 ATOM 1595 C C . LEU A 1 227 ? -40.442 -4.925 -35.825 1.00 96.55 ? 254 LEU A C 1 ATOM 1596 O O . LEU A 1 227 ? -39.627 -4.711 -36.731 1.00 94.08 ? 254 LEU A O 1 ATOM 1597 C CB . LEU A 1 227 ? -40.752 -3.116 -34.119 1.00 80.91 ? 254 LEU A CB 1 ATOM 1598 C CG . LEU A 1 227 ? -41.439 -1.828 -33.660 1.00 84.30 ? 254 LEU A CG 1 ATOM 1599 C CD1 . LEU A 1 227 ? -40.650 -1.167 -32.539 1.00 84.09 ? 254 LEU A CD1 1 ATOM 1600 C CD2 . LEU A 1 227 ? -41.623 -0.872 -34.830 1.00 99.01 ? 254 LEU A CD2 1 ATOM 1601 N N . GLN A 1 228 ? -40.555 -6.117 -35.239 1.00 96.35 ? 255 GLN A N 1 ATOM 1602 C CA . GLN A 1 228 ? -39.709 -7.225 -35.668 1.00 96.48 ? 255 GLN A CA 1 ATOM 1603 C C . GLN A 1 228 ? -40.216 -7.842 -36.964 1.00 89.63 ? 255 GLN A C 1 ATOM 1604 O O . GLN A 1 228 ? -39.416 -8.283 -37.797 1.00 93.62 ? 255 GLN A O 1 ATOM 1605 C CB . GLN A 1 228 ? -39.617 -8.277 -34.564 1.00 110.52 ? 255 GLN A CB 1 ATOM 1606 C CG . GLN A 1 228 ? -38.856 -7.802 -33.337 1.00 135.01 ? 255 GLN A CG 1 ATOM 1607 C CD . GLN A 1 228 ? -37.517 -7.177 -33.689 1.00 154.81 ? 255 GLN A CD 1 ATOM 1608 O OE1 . GLN A 1 228 ? -37.410 -5.960 -33.854 1.00 153.71 ? 255 GLN A OE1 1 ATOM 1609 N NE2 . GLN A 1 228 ? -36.488 -8.008 -33.806 1.00 160.47 ? 255 GLN A NE2 1 ATOM 1610 N N . LEU A 1 229 ? -41.538 -7.886 -37.151 1.00 95.57 ? 256 LEU A N 1 ATOM 1611 C CA . LEU A 1 229 ? -42.084 -8.287 -38.442 1.00 94.55 ? 256 LEU A CA 1 ATOM 1612 C C . LEU A 1 229 ? -41.627 -7.336 -39.538 1.00 89.06 ? 256 LEU A C 1 ATOM 1613 O O . LEU A 1 229 ? -41.308 -7.765 -40.653 1.00 92.32 ? 256 LEU A O 1 ATOM 1614 C CB . LEU A 1 229 ? -43.610 -8.337 -38.375 1.00 94.92 ? 256 LEU A CB 1 ATOM 1615 C CG . LEU A 1 229 ? -44.354 -8.714 -39.657 1.00 92.88 ? 256 LEU A CG 1 ATOM 1616 C CD1 . LEU A 1 229 ? -43.994 -10.119 -40.102 1.00 94.60 ? 256 LEU A CD1 1 ATOM 1617 C CD2 . LEU A 1 229 ? -45.858 -8.582 -39.453 1.00 103.77 ? 256 LEU A CD2 1 ATOM 1618 N N . ASN A 1 230 ? -41.582 -6.038 -39.233 1.00 80.96 ? 257 ASN A N 1 ATOM 1619 C CA . ASN A 1 230 ? -41.051 -5.064 -40.180 1.00 84.11 ? 257 ASN A CA 1 ATOM 1620 C C . ASN A 1 230 ? -39.585 -5.338 -40.486 1.00 88.89 ? 257 ASN A C 1 ATOM 1621 O O . ASN A 1 230 ? -39.144 -5.188 -41.632 1.00 91.70 ? 257 ASN A O 1 ATOM 1622 C CB . ASN A 1 230 ? -41.233 -3.652 -39.623 1.00 79.17 ? 257 ASN A CB 1 ATOM 1623 C CG . ASN A 1 230 ? -40.470 -2.611 -40.410 1.00 85.41 ? 257 ASN A CG 1 ATOM 1624 O OD1 . ASN A 1 230 ? -40.874 -2.223 -41.506 1.00 91.09 ? 257 ASN A OD1 1 ATOM 1625 N ND2 . ASN A 1 230 ? -39.360 -2.146 -39.850 1.00 95.00 ? 257 ASN A ND2 1 ATOM 1626 N N . GLU A 1 231 ? -38.815 -5.751 -39.475 1.00 91.04 ? 258 GLU A N 1 ATOM 1627 C CA . GLU A 1 231 ? -37.395 -6.013 -39.691 1.00 106.44 ? 258 GLU A CA 1 ATOM 1628 C C . GLU A 1 231 ? -37.181 -7.225 -40.586 1.00 104.74 ? 258 GLU A C 1 ATOM 1629 O O . GLU A 1 231 ? -36.350 -7.186 -41.501 1.00 113.80 ? 258 GLU A O 1 ATOM 1630 C CB . GLU A 1 231 ? -36.678 -6.206 -38.355 1.00 112.06 ? 258 GLU A CB 1 ATOM 1631 C CG . GLU A 1 231 ? -35.246 -6.700 -38.515 1.00 136.41 ? 258 GLU A CG 1 ATOM 1632 C CD . GLU A 1 231 ? -34.435 -6.604 -37.239 1.00 156.69 ? 258 GLU A CD 1 ATOM 1633 O OE1 . GLU A 1 231 ? -34.964 -6.951 -36.162 1.00 160.51 ? 258 GLU A OE1 1 ATOM 1634 O OE2 . GLU A 1 231 ? -33.265 -6.173 -37.317 1.00 167.89 ? 258 GLU A OE2 1 ATOM 1635 N N . THR A 1 232 ? -37.915 -8.315 -40.337 1.00 99.16 ? 259 THR A N 1 ATOM 1636 C CA . THR A 1 232 ? -37.743 -9.513 -41.153 1.00 115.65 ? 259 THR A CA 1 ATOM 1637 C C . THR A 1 232 ? -38.107 -9.256 -42.608 1.00 107.82 ? 259 THR A C 1 ATOM 1638 O O . THR A 1 232 ? -37.476 -9.816 -43.511 1.00 118.83 ? 259 THR A O 1 ATOM 1639 C CB . THR A 1 232 ? -38.585 -10.667 -40.602 1.00 117.85 ? 259 THR A CB 1 ATOM 1640 O OG1 . THR A 1 232 ? -39.978 -10.357 -40.732 1.00 137.42 ? 259 THR A OG1 1 ATOM 1641 C CG2 . THR A 1 232 ? -38.258 -10.920 -39.137 1.00 111.90 ? 259 THR A CG2 1 ATOM 1642 N N . ILE A 1 233 ? -39.109 -8.413 -42.855 1.00 112.52 ? 260 ILE A N 1 ATOM 1643 C CA . ILE A 1 233 ? -39.496 -8.100 -44.229 1.00 107.29 ? 260 ILE A CA 1 ATOM 1644 C C . ILE A 1 233 ? -38.371 -7.365 -44.946 1.00 99.72 ? 260 ILE A C 1 ATOM 1645 O O . ILE A 1 233 ? -38.056 -7.660 -46.105 1.00 102.82 ? 260 ILE A O 1 ATOM 1646 C CB . ILE A 1 233 ? -40.806 -7.290 -44.239 1.00 97.96 ? 260 ILE A CB 1 ATOM 1647 C CG1 . ILE A 1 233 ? -41.968 -8.169 -43.772 1.00 85.85 ? 260 ILE A CG1 1 ATOM 1648 C CG2 . ILE A 1 233 ? -41.075 -6.711 -45.626 1.00 96.16 ? 260 ILE A CG2 1 ATOM 1649 C CD1 . ILE A 1 233 ? -43.260 -7.413 -43.547 1.00 94.51 ? 260 ILE A CD1 1 ATOM 1650 N N . TYR A 1 234 ? -37.748 -6.397 -44.271 1.00 96.56 ? 261 TYR A N 1 ATOM 1651 C CA . TYR A 1 234 ? -36.654 -5.653 -44.887 1.00 100.85 ? 261 TYR A CA 1 ATOM 1652 C C . TYR A 1 234 ? -35.432 -6.536 -45.112 1.00 108.01 ? 261 TYR A C 1 ATOM 1653 O O . TYR A 1 234 ? -34.750 -6.411 -46.135 1.00 121.72 ? 261 TYR A O 1 ATOM 1654 C CB . TYR A 1 234 ? -36.287 -4.447 -44.022 1.00 104.68 ? 261 TYR A CB 1 ATOM 1655 C CG . TYR A 1 234 ? -36.983 -3.160 -44.406 1.00 107.64 ? 261 TYR A CG 1 ATOM 1656 C CD1 . TYR A 1 234 ? -38.172 -2.780 -43.794 1.00 100.25 ? 261 TYR A CD1 1 ATOM 1657 C CD2 . TYR A 1 234 ? -36.444 -2.318 -45.372 1.00 97.48 ? 261 TYR A CD2 1 ATOM 1658 C CE1 . TYR A 1 234 ? -38.806 -1.600 -44.137 1.00 99.56 ? 261 TYR A CE1 1 ATOM 1659 C CE2 . TYR A 1 234 ? -37.071 -1.134 -45.723 1.00 91.94 ? 261 TYR A CE2 1 ATOM 1660 C CZ . TYR A 1 234 ? -38.251 -0.782 -45.101 1.00 101.21 ? 261 TYR A CZ 1 ATOM 1661 O OH . TYR A 1 234 ? -38.882 0.391 -45.444 1.00 103.86 ? 261 TYR A OH 1 ATOM 1662 N N . THR A 1 235 ? -35.138 -7.435 -44.170 1.00 118.97 ? 262 THR A N 1 ATOM 1663 C CA . THR A 1 235 ? -33.932 -8.250 -44.247 1.00 130.30 ? 262 THR A CA 1 ATOM 1664 C C . THR A 1 235 ? -34.108 -9.518 -45.072 1.00 132.77 ? 262 THR A C 1 ATOM 1665 O O . THR A 1 235 ? -33.107 -10.096 -45.510 1.00 141.73 ? 262 THR A O 1 ATOM 1666 C CB . THR A 1 235 ? -33.452 -8.631 -42.843 1.00 124.09 ? 262 THR A CB 1 ATOM 1667 O OG1 . THR A 1 235 ? -34.488 -9.345 -42.156 1.00 132.40 ? 262 THR A OG1 1 ATOM 1668 C CG2 . THR A 1 235 ? -33.086 -7.385 -42.050 1.00 116.37 ? 262 THR A CG2 1 ATOM 1669 N N . SER A 1 236 ? -35.339 -9.972 -45.284 1.00 127.42 ? 263 SER A N 1 ATOM 1670 C CA . SER A 1 236 ? -35.595 -11.103 -46.165 1.00 126.40 ? 263 SER A CA 1 ATOM 1671 C C . SER A 1 236 ? -35.883 -10.671 -47.596 1.00 132.69 ? 263 SER A C 1 ATOM 1672 O O . SER A 1 236 ? -36.021 -11.530 -48.473 1.00 144.79 ? 263 SER A O 1 ATOM 1673 C CB . SER A 1 236 ? -36.762 -11.942 -45.633 1.00 126.13 ? 263 SER A CB 1 ATOM 1674 O OG . SER A 1 236 ? -36.496 -12.416 -44.325 1.00 137.32 ? 263 SER A OG 1 ATOM 1675 N N . GLY A 1 237 ? -35.967 -9.370 -47.852 1.00 122.96 ? 264 GLY A N 1 ATOM 1676 C CA . GLY A 1 237 ? -36.254 -8.878 -49.187 1.00 124.09 ? 264 GLY A CA 1 ATOM 1677 C C . GLY A 1 237 ? -37.667 -9.157 -49.645 1.00 131.27 ? 264 GLY A C 1 ATOM 1678 O O . GLY A 1 237 ? -37.877 -9.521 -50.809 1.00 135.98 ? 264 GLY A O 1 ATOM 1679 N N . LYS A 1 238 ? -38.648 -9.002 -48.755 1.00 124.35 ? 265 LYS A N 1 ATOM 1680 C CA . LYS A 1 238 ? -40.044 -9.251 -49.083 1.00 112.78 ? 265 LYS A CA 1 ATOM 1681 C C . LYS A 1 238 ? -40.834 -7.963 -49.287 1.00 111.36 ? 265 LYS A C 1 ATOM 1682 O O . LYS A 1 238 ? -42.066 -7.974 -49.189 1.00 106.40 ? 265 LYS A O 1 ATOM 1683 C CB . LYS A 1 238 ? -40.697 -10.118 -48.004 1.00 107.92 ? 265 LYS A CB 1 ATOM 1684 C CG . LYS A 1 238 ? -40.615 -11.617 -48.283 1.00 126.94 ? 265 LYS A CG 1 ATOM 1685 C CD . LYS A 1 238 ? -39.176 -12.112 -48.283 1.00 126.41 ? 265 LYS A CD 1 ATOM 1686 C CE . LYS A 1 238 ? -39.081 -13.590 -48.626 1.00 126.32 ? 265 LYS A CE 1 ATOM 1687 N NZ . LYS A 1 238 ? -39.282 -13.839 -50.080 1.00 133.19 ? 265 LYS A NZ 1 ATOM 1688 N N . ARG A 1 239 ? -40.150 -6.857 -49.563 1.00 110.16 ? 266 ARG A N 1 ATOM 1689 C CA . ARG A 1 239 ? -40.825 -5.630 -49.945 1.00 94.99 ? 266 ARG A CA 1 ATOM 1690 C C . ARG A 1 239 ? -41.298 -5.725 -51.393 1.00 108.81 ? 266 ARG A C 1 ATOM 1691 O O . ARG A 1 239 ? -40.902 -6.615 -52.151 1.00 113.21 ? 266 ARG A O 1 ATOM 1692 C CB . ARG A 1 239 ? -39.898 -4.427 -49.767 1.00 92.79 ? 266 ARG A CB 1 ATOM 1693 C CG . ARG A 1 239 ? -39.497 -4.145 -48.329 1.00 96.62 ? 266 ARG A CG 1 ATOM 1694 C CD . ARG A 1 239 ? -38.248 -3.282 -48.282 1.00 102.73 ? 266 ARG A CD 1 ATOM 1695 N NE . ARG A 1 239 ? -38.456 -1.961 -48.870 1.00 98.62 ? 266 ARG A NE 1 ATOM 1696 C CZ . ARG A 1 239 ? -37.472 -1.138 -49.217 1.00 111.21 ? 266 ARG A CZ 1 ATOM 1697 N NH1 . ARG A 1 239 ? -36.209 -1.503 -49.045 1.00 112.70 ? 266 ARG A NH1 1 ATOM 1698 N NH2 . ARG A 1 239 ? -37.750 0.046 -49.745 1.00 118.32 ? 266 ARG A NH2 1 ATOM 1699 N N . SER A 1 240 ? -42.163 -4.792 -51.776 1.00 103.83 ? 267 SER A N 1 ATOM 1700 C CA . SER A 1 240 ? -42.638 -4.744 -53.151 1.00 105.49 ? 267 SER A CA 1 ATOM 1701 C C . SER A 1 240 ? -41.509 -4.336 -54.090 1.00 94.11 ? 267 SER A C 1 ATOM 1702 O O . SER A 1 240 ? -40.734 -3.421 -53.796 1.00 115.43 ? 267 SER A O 1 ATOM 1703 C CB . SER A 1 240 ? -43.807 -3.766 -53.274 1.00 93.67 ? 267 SER A CB 1 ATOM 1704 O OG . SER A 1 240 ? -44.248 -3.657 -54.617 1.00 111.96 ? 267 SER A OG 1 ATOM 1705 N N . ASN A 1 241 ? -41.402 -5.039 -55.216 1.00 105.85 ? 268 ASN A N 1 ATOM 1706 C CA . ASN A 1 241 ? -40.532 -4.597 -56.298 1.00 115.87 ? 268 ASN A CA 1 ATOM 1707 C C . ASN A 1 241 ? -41.377 -4.296 -57.529 1.00 113.95 ? 268 ASN A C 1 ATOM 1708 O O . ASN A 1 241 ? -41.168 -4.876 -58.599 1.00 116.43 ? 268 ASN A O 1 ATOM 1709 C CB . ASN A 1 241 ? -39.453 -5.641 -56.611 1.00 125.52 ? 268 ASN A CB 1 ATOM 1710 C CG . ASN A 1 241 ? -39.908 -7.061 -56.345 1.00 147.08 ? 268 ASN A CG 1 ATOM 1711 O OD1 . ASN A 1 241 ? -40.911 -7.530 -56.893 1.00 137.24 ? 268 ASN A OD1 1 ATOM 1712 N ND2 . ASN A 1 241 ? -39.156 -7.761 -55.505 1.00 202.64 ? 268 ASN A ND2 1 ATOM 1713 N N . THR A 1 242 ? -42.338 -3.386 -57.378 1.00 139.15 ? 269 THR A N 1 ATOM 1714 C CA . THR A 1 242 ? -43.322 -3.102 -58.414 1.00 137.28 ? 269 THR A CA 1 ATOM 1715 C C . THR A 1 242 ? -43.926 -1.732 -58.137 1.00 128.34 ? 269 THR A C 1 ATOM 1716 O O . THR A 1 242 ? -43.896 -1.239 -57.007 1.00 128.79 ? 269 THR A O 1 ATOM 1717 C CB . THR A 1 242 ? -44.413 -4.190 -58.457 1.00 144.08 ? 269 THR A CB 1 ATOM 1718 O OG1 . THR A 1 242 ? -43.806 -5.473 -58.656 1.00 159.19 ? 269 THR A OG1 1 ATOM 1719 C CG2 . THR A 1 242 ? -45.415 -3.952 -59.583 1.00 142.98 ? 269 THR A CG2 1 ATOM 1720 N N . THR A 1 243 ? -44.452 -1.108 -59.197 1.00 127.71 ? 270 THR A N 1 ATOM 1721 C CA . THR A 1 243 ? -45.260 0.097 -59.034 1.00 127.48 ? 270 THR A CA 1 ATOM 1722 C C . THR A 1 243 ? -46.428 -0.138 -58.079 1.00 116.82 ? 270 THR A C 1 ATOM 1723 O O . THR A 1 243 ? -46.818 0.772 -57.337 1.00 115.84 ? 270 THR A O 1 ATOM 1724 C CB . THR A 1 243 ? -45.769 0.565 -60.402 1.00 124.22 ? 270 THR A CB 1 ATOM 1725 O OG1 . THR A 1 243 ? -44.660 0.967 -61.216 1.00 134.06 ? 270 THR A OG1 1 ATOM 1726 C CG2 . THR A 1 243 ? -46.741 1.735 -60.268 1.00 134.62 ? 270 THR A CG2 1 ATOM 1727 N N . GLY A 1 244 ? -46.977 -1.364 -58.059 1.00 120.22 ? 271 GLY A N 1 ATOM 1728 C CA . GLY A 1 244 ? -48.187 -1.647 -57.315 1.00 110.14 ? 271 GLY A CA 1 ATOM 1729 C C . GLY A 1 244 ? -47.966 -1.906 -55.832 1.00 115.08 ? 271 GLY A C 1 ATOM 1730 O O . GLY A 1 244 ? -46.841 -1.997 -55.343 1.00 117.29 ? 271 GLY A O 1 ATOM 1731 N N . LYS A 1 245 ? -49.084 -2.041 -55.121 1.00 116.62 ? 272 LYS A N 1 ATOM 1732 C CA . LYS A 1 245 ? -49.104 -2.168 -53.670 1.00 108.00 ? 272 LYS A CA 1 ATOM 1733 C C . LYS A 1 245 ? -49.160 -3.638 -53.272 1.00 114.82 ? 272 LYS A C 1 ATOM 1734 O O . LYS A 1 245 ? -49.941 -4.411 -53.837 1.00 126.78 ? 272 LYS A O 1 ATOM 1735 C CB . LYS A 1 245 ? -50.304 -1.415 -53.089 1.00 112.92 ? 272 LYS A CB 1 ATOM 1736 C CG . LYS A 1 245 ? -50.076 -0.814 -51.710 1.00 126.87 ? 272 LYS A CG 1 ATOM 1737 C CD . LYS A 1 245 ? -51.123 0.246 -51.394 1.00 137.03 ? 272 LYS A CD 1 ATOM 1738 C CE . LYS A 1 245 ? -51.977 -0.152 -50.200 1.00 122.90 ? 272 LYS A CE 1 ATOM 1739 N NZ . LYS A 1 245 ? -52.954 0.912 -49.840 1.00 105.39 ? 272 LYS A NZ 1 ATOM 1740 N N . LEU A 1 246 ? -48.339 -4.013 -52.296 1.00 118.48 ? 273 LEU A N 1 ATOM 1741 C CA . LEU A 1 246 ? -48.244 -5.383 -51.809 1.00 109.79 ? 273 LEU A CA 1 ATOM 1742 C C . LEU A 1 246 ? -48.762 -5.443 -50.379 1.00 103.66 ? 273 LEU A C 1 ATOM 1743 O O . LEU A 1 246 ? -48.323 -4.665 -49.525 1.00 103.39 ? 273 LEU A O 1 ATOM 1744 C CB . LEU A 1 246 ? -46.797 -5.881 -51.878 1.00 109.02 ? 273 LEU A CB 1 ATOM 1745 C CG . LEU A 1 246 ? -46.473 -7.273 -51.330 1.00 105.72 ? 273 LEU A CG 1 ATOM 1746 C CD1 . LEU A 1 246 ? -47.243 -8.350 -52.086 1.00 109.24 ? 273 LEU A CD1 1 ATOM 1747 C CD2 . LEU A 1 246 ? -44.973 -7.535 -51.402 1.00 110.43 ? 273 LEU A CD2 1 ATOM 1748 N N . ILE A 1 247 ? -49.694 -6.358 -50.121 1.00 105.20 ? 274 ILE A N 1 ATOM 1749 C CA . ILE A 1 247 ? -50.337 -6.494 -48.817 1.00 98.53 ? 274 ILE A CA 1 ATOM 1750 C C . ILE A 1 247 ? -50.154 -7.929 -48.340 1.00 103.13 ? 274 ILE A C 1 ATOM 1751 O O . ILE A 1 247 ? -50.647 -8.869 -48.976 1.00 103.61 ? 274 ILE A O 1 ATOM 1752 C CB . ILE A 1 247 ? -51.827 -6.122 -48.872 1.00 102.19 ? 274 ILE A CB 1 ATOM 1753 C CG1 . ILE A 1 247 ? -52.002 -4.696 -49.398 1.00 110.24 ? 274 ILE A CG1 1 ATOM 1754 C CG2 . ILE A 1 247 ? -52.468 -6.268 -47.499 1.00 88.61 ? 274 ILE A CG2 1 ATOM 1755 C CD1 . ILE A 1 247 ? -53.443 -4.257 -49.510 1.00 107.00 ? 274 ILE A CD1 1 ATOM 1756 N N . TRP A 1 248 ? -49.454 -8.094 -47.219 1.00 104.54 ? 275 TRP A N 1 ATOM 1757 C CA . TRP A 1 248 ? -49.223 -9.405 -46.628 1.00 94.26 ? 275 TRP A CA 1 ATOM 1758 C C . TRP A 1 248 ? -50.282 -9.711 -45.575 1.00 105.04 ? 275 TRP A C 1 ATOM 1759 O O . TRP A 1 248 ? -50.648 -8.844 -44.776 1.00 99.64 ? 275 TRP A O 1 ATOM 1760 C CB . TRP A 1 248 ? -47.837 -9.477 -45.983 1.00 96.91 ? 275 TRP A CB 1 ATOM 1761 C CG . TRP A 1 248 ? -46.688 -9.349 -46.934 1.00 102.16 ? 275 TRP A CG 1 ATOM 1762 C CD1 . TRP A 1 248 ? -45.999 -8.210 -47.243 1.00 96.79 ? 275 TRP A CD1 1 ATOM 1763 C CD2 . TRP A 1 248 ? -46.075 -10.403 -47.684 1.00 102.97 ? 275 TRP A CD2 1 ATOM 1764 N NE1 . TRP A 1 248 ? -45.004 -8.490 -48.147 1.00 110.86 ? 275 TRP A NE1 1 ATOM 1765 C CE2 . TRP A 1 248 ? -45.028 -9.829 -48.433 1.00 99.65 ? 275 TRP A CE2 1 ATOM 1766 C CE3 . TRP A 1 248 ? -46.312 -11.776 -47.797 1.00 114.15 ? 275 TRP A CE3 1 ATOM 1767 C CZ2 . TRP A 1 248 ? -44.222 -10.581 -49.285 1.00 118.57 ? 275 TRP A CZ2 1 ATOM 1768 C CZ3 . TRP A 1 248 ? -45.513 -12.520 -48.646 1.00 118.25 ? 275 TRP A CZ3 1 ATOM 1769 C CH2 . TRP A 1 248 ? -44.480 -11.921 -49.378 1.00 122.48 ? 275 TRP A CH2 1 ATOM 1770 N N . LYS A 1 249 ? -50.762 -10.950 -45.575 1.00 107.81 ? 276 LYS A N 1 ATOM 1771 C CA . LYS A 1 249 ? -51.646 -11.447 -44.532 1.00 108.86 ? 276 LYS A CA 1 ATOM 1772 C C . LYS A 1 249 ? -50.901 -12.462 -43.675 1.00 109.80 ? 276 LYS A C 1 ATOM 1773 O O . LYS A 1 249 ? -49.962 -13.121 -44.133 1.00 122.77 ? 276 LYS A O 1 ATOM 1774 C CB . LYS A 1 249 ? -52.915 -12.080 -45.114 1.00 116.05 ? 276 LYS A CB 1 ATOM 1775 C CG . LYS A 1 249 ? -54.001 -12.350 -44.073 1.00 125.60 ? 276 LYS A CG 1 ATOM 1776 C CD . LYS A 1 249 ? -55.242 -12.986 -44.678 1.00 142.78 ? 276 LYS A CD 1 ATOM 1777 C CE . LYS A 1 249 ? -56.234 -13.378 -43.593 1.00 143.18 ? 276 LYS A CE 1 ATOM 1778 N NZ . LYS A 1 249 ? -57.471 -13.974 -44.161 1.00 148.32 ? 276 LYS A NZ 1 ATOM 1779 N N . VAL A 1 250 ? -51.329 -12.578 -42.421 1.00 102.93 ? 277 VAL A N 1 ATOM 1780 C CA . VAL A 1 250 ? -50.659 -13.399 -41.420 1.00 111.56 ? 277 VAL A CA 1 ATOM 1781 C C . VAL A 1 250 ? -51.662 -14.430 -40.917 1.00 115.26 ? 277 VAL A C 1 ATOM 1782 O O . VAL A 1 250 ? -52.694 -14.066 -40.339 1.00 123.25 ? 277 VAL A O 1 ATOM 1783 C CB . VAL A 1 250 ? -50.116 -12.543 -40.266 1.00 110.95 ? 277 VAL A CB 1 ATOM 1784 C CG1 . VAL A 1 250 ? -48.958 -13.236 -39.601 1.00 114.40 ? 277 VAL A CG1 1 ATOM 1785 C CG2 . VAL A 1 250 ? -49.689 -11.172 -40.774 1.00 105.76 ? 277 VAL A CG2 1 ATOM 1786 N N . ASN A 1 251 ? -51.363 -15.713 -41.135 1.00 129.29 ? 278 ASN A N 1 ATOM 1787 C CA . ASN A 1 251 ? -52.307 -16.765 -40.789 1.00 137.84 ? 278 ASN A CA 1 ATOM 1788 C C . ASN A 1 251 ? -52.456 -16.870 -39.269 1.00 129.89 ? 278 ASN A C 1 ATOM 1789 O O . ASN A 1 251 ? -51.604 -16.389 -38.520 1.00 124.63 ? 278 ASN A O 1 ATOM 1790 C CB . ASN A 1 251 ? -51.877 -18.102 -41.407 1.00 153.46 ? 278 ASN A CB 1 ATOM 1791 C CG . ASN A 1 251 ? -50.582 -18.657 -40.824 1.00 159.41 ? 278 ASN A CG 1 ATOM 1792 O OD1 . ASN A 1 251 ? -49.951 -18.054 -39.957 1.00 167.10 ? 278 ASN A OD1 1 ATOM 1793 N ND2 . ASN A 1 251 ? -50.188 -19.832 -41.305 1.00 150.68 ? 278 ASN A ND2 1 ATOM 1794 N N . PRO A 1 252 ? -53.550 -17.471 -38.787 1.00 127.84 ? 279 PRO A N 1 ATOM 1795 C CA . PRO A 1 252 ? -53.814 -17.438 -37.337 1.00 120.00 ? 279 PRO A CA 1 ATOM 1796 C C . PRO A 1 252 ? -52.779 -18.157 -36.485 1.00 130.46 ? 279 PRO A C 1 ATOM 1797 O O . PRO A 1 252 ? -52.585 -17.776 -35.324 1.00 131.73 ? 279 PRO A O 1 ATOM 1798 C CB . PRO A 1 252 ? -55.191 -18.108 -37.220 1.00 121.57 ? 279 PRO A CB 1 ATOM 1799 C CG . PRO A 1 252 ? -55.818 -17.927 -38.556 1.00 123.82 ? 279 PRO A CG 1 ATOM 1800 C CD . PRO A 1 252 ? -54.694 -18.016 -39.539 1.00 128.07 ? 279 PRO A CD 1 ATOM 1801 N N . GLU A 1 253 ? -52.103 -19.174 -37.015 1.00 148.05 ? 280 GLU A N 1 ATOM 1802 C CA . GLU A 1 253 ? -51.317 -20.084 -36.191 1.00 166.07 ? 280 GLU A CA 1 ATOM 1803 C C . GLU A 1 253 ? -49.891 -19.607 -35.929 1.00 159.18 ? 280 GLU A C 1 ATOM 1804 O O . GLU A 1 253 ? -49.105 -20.355 -35.336 1.00 158.41 ? 280 GLU A O 1 ATOM 1805 C CB . GLU A 1 253 ? -51.293 -21.478 -36.823 1.00 180.22 ? 280 GLU A CB 1 ATOM 1806 C CG . GLU A 1 253 ? -52.653 -22.163 -36.853 1.00 184.72 ? 280 GLU A CG 1 ATOM 1807 C CD . GLU A 1 253 ? -53.199 -22.459 -35.465 1.00 189.59 ? 280 GLU A CD 1 ATOM 1808 O OE1 . GLU A 1 253 ? -52.398 -22.559 -34.511 1.00 190.41 ? 280 GLU A OE1 1 ATOM 1809 O OE2 . GLU A 1 253 ? -54.433 -22.592 -35.327 1.00 190.44 ? 280 GLU A OE2 1 ATOM 1810 N N . ILE A 1 254 ? -49.535 -18.398 -36.343 1.00 153.67 ? 281 ILE A N 1 ATOM 1811 C CA . ILE A 1 254 ? -48.272 -17.812 -35.912 1.00 155.97 ? 281 ILE A CA 1 ATOM 1812 C C . ILE A 1 254 ? -48.461 -17.221 -34.522 1.00 158.64 ? 281 ILE A C 1 ATOM 1813 O O . ILE A 1 254 ? -49.574 -16.856 -34.127 1.00 157.07 ? 281 ILE A O 1 ATOM 1814 C CB . ILE A 1 254 ? -47.773 -16.755 -36.918 1.00 148.71 ? 281 ILE A CB 1 ATOM 1815 C CG1 . ILE A 1 254 ? -48.885 -15.761 -37.258 1.00 144.58 ? 281 ILE A CG1 1 ATOM 1816 C CG2 . ILE A 1 254 ? -47.238 -17.427 -38.178 1.00 149.44 ? 281 ILE A CG2 1 ATOM 1817 C CD1 . ILE A 1 254 ? -48.998 -14.566 -36.319 1.00 143.02 ? 281 ILE A CD1 1 ATOM 1818 N N . ASP A 1 255 ? -47.372 -17.119 -33.771 1.00 162.46 ? 282 ASP A N 1 ATOM 1819 C CA . ASP A 1 255 ? -47.435 -16.611 -32.410 1.00 162.07 ? 282 ASP A CA 1 ATOM 1820 C C . ASP A 1 255 ? -47.107 -15.124 -32.378 1.00 152.74 ? 282 ASP A C 1 ATOM 1821 O O . ASP A 1 255 ? -46.318 -14.623 -33.184 1.00 146.26 ? 282 ASP A O 1 ATOM 1822 C CB . ASP A 1 255 ? -46.479 -17.375 -31.492 1.00 168.41 ? 282 ASP A CB 1 ATOM 1823 C CG . ASP A 1 255 ? -46.778 -17.144 -30.026 1.00 167.61 ? 282 ASP A CG 1 ATOM 1824 O OD1 . ASP A 1 255 ? -47.822 -17.635 -29.549 1.00 167.26 ? 282 ASP A OD1 1 ATOM 1825 O OD2 . ASP A 1 255 ? -45.972 -16.470 -29.351 1.00 167.17 ? 282 ASP A OD2 1 ATOM 1826 N N . THR A 1 256 ? -47.731 -14.421 -31.437 1.00 180.18 ? 283 THR A N 1 ATOM 1827 C CA . THR A 1 256 ? -47.530 -12.991 -31.254 1.00 175.36 ? 283 THR A CA 1 ATOM 1828 C C . THR A 1 256 ? -47.223 -12.712 -29.790 1.00 184.75 ? 283 THR A C 1 ATOM 1829 O O . THR A 1 256 ? -47.795 -13.344 -28.896 1.00 186.38 ? 283 THR A O 1 ATOM 1830 C CB . THR A 1 256 ? -48.764 -12.191 -31.698 1.00 154.68 ? 283 THR A CB 1 ATOM 1831 O OG1 . THR A 1 256 ? -49.143 -12.588 -33.022 1.00 146.28 ? 283 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 256 ? -48.462 -10.702 -31.698 1.00 143.18 ? 283 THR A CG2 1 ATOM 1833 N N . THR A 1 257 ? -46.314 -11.770 -29.554 1.00 183.13 ? 284 THR A N 1 ATOM 1834 C CA . THR A 1 257 ? -45.911 -11.393 -28.203 1.00 177.15 ? 284 THR A CA 1 ATOM 1835 C C . THR A 1 257 ? -47.093 -10.898 -27.374 1.00 183.31 ? 284 THR A C 1 ATOM 1836 O O . THR A 1 257 ? -47.699 -11.660 -26.621 1.00 186.05 ? 284 THR A O 1 ATOM 1837 C CB . THR A 1 257 ? -44.831 -10.296 -28.229 1.00 158.06 ? 284 THR A CB 1 ATOM 1838 O OG1 . THR A 1 257 ? -43.692 -10.759 -28.967 1.00 151.31 ? 284 THR A OG1 1 ATOM 1839 C CG2 . THR A 1 257 ? -44.403 -9.936 -26.815 1.00 154.70 ? 284 THR A CG2 1 ATOM 1840 N N . TRP A 1 261 ? -50.598 -10.474 -21.445 1.00 171.93 ? 288 TRP A N 1 ATOM 1841 C CA . TRP A 1 261 ? -50.485 -9.700 -20.215 1.00 175.98 ? 288 TRP A CA 1 ATOM 1842 C C . TRP A 1 261 ? -50.096 -8.251 -20.500 1.00 173.41 ? 288 TRP A C 1 ATOM 1843 O O . TRP A 1 261 ? -49.750 -7.903 -21.629 1.00 184.73 ? 288 TRP A O 1 ATOM 1844 C CB . TRP A 1 261 ? -49.468 -10.341 -19.264 1.00 186.10 ? 288 TRP A CB 1 ATOM 1845 C CG . TRP A 1 261 ? -49.793 -11.758 -18.860 1.00 197.55 ? 288 TRP A CG 1 ATOM 1846 C CD1 . TRP A 1 261 ? -48.933 -12.819 -18.834 1.00 196.34 ? 288 TRP A CD1 1 ATOM 1847 C CD2 . TRP A 1 261 ? -51.064 -12.265 -18.425 1.00 203.24 ? 288 TRP A CD2 1 ATOM 1848 N NE1 . TRP A 1 261 ? -49.586 -13.950 -18.408 1.00 201.76 ? 288 TRP A NE1 1 ATOM 1849 C CE2 . TRP A 1 261 ? -50.895 -13.637 -18.152 1.00 204.78 ? 288 TRP A CE2 1 ATOM 1850 C CE3 . TRP A 1 261 ? -52.328 -11.691 -18.237 1.00 197.28 ? 288 TRP A CE3 1 ATOM 1851 C CZ2 . TRP A 1 261 ? -51.940 -14.443 -17.704 1.00 202.71 ? 288 TRP A CZ2 1 ATOM 1852 C CZ3 . TRP A 1 261 ? -53.362 -12.493 -17.795 1.00 195.15 ? 288 TRP A CZ3 1 ATOM 1853 C CH2 . TRP A 1 261 ? -53.163 -13.854 -17.533 1.00 198.58 ? 288 TRP A CH2 1 ATOM 1854 N N . ALA A 1 262 ? -50.151 -7.415 -19.465 1.00 144.41 ? 289 ALA A N 1 ATOM 1855 C CA . ALA A 1 262 ? -49.879 -5.993 -19.615 1.00 113.72 ? 289 ALA A CA 1 ATOM 1856 C C . ALA A 1 262 ? -48.400 -5.754 -19.921 1.00 110.33 ? 289 ALA A C 1 ATOM 1857 O O . ALA A 1 262 ? -47.550 -6.635 -19.764 1.00 119.06 ? 289 ALA A O 1 ATOM 1858 C CB . ALA A 1 262 ? -50.293 -5.236 -18.355 1.00 108.73 ? 289 ALA A CB 1 ATOM 1859 N N . PHE A 1 263 ? -48.095 -4.528 -20.355 1.00 102.58 ? 290 PHE A N 1 ATOM 1860 C CA . PHE A 1 263 ? -46.750 -4.224 -20.832 1.00 105.11 ? 290 PHE A CA 1 ATOM 1861 C C . PHE A 1 263 ? -45.719 -4.189 -19.710 1.00 107.82 ? 290 PHE A C 1 ATOM 1862 O O . PHE A 1 263 ? -44.528 -4.378 -19.979 1.00 109.54 ? 290 PHE A O 1 ATOM 1863 C CB . PHE A 1 263 ? -46.740 -2.895 -21.599 1.00 99.24 ? 290 PHE A CB 1 ATOM 1864 C CG . PHE A 1 263 ? -47.044 -1.684 -20.754 1.00 97.78 ? 290 PHE A CG 1 ATOM 1865 C CD1 . PHE A 1 263 ? -46.045 -1.061 -20.019 1.00 97.32 ? 290 PHE A CD1 1 ATOM 1866 C CD2 . PHE A 1 263 ? -48.321 -1.146 -20.722 1.00 97.04 ? 290 PHE A CD2 1 ATOM 1867 C CE1 . PHE A 1 263 ? -46.319 0.057 -19.254 1.00 103.74 ? 290 PHE A CE1 1 ATOM 1868 C CE2 . PHE A 1 263 ? -48.600 -0.026 -19.958 1.00 95.86 ? 290 PHE A CE2 1 ATOM 1869 C CZ . PHE A 1 263 ? -47.597 0.576 -19.223 1.00 95.27 ? 290 PHE A CZ 1 ATOM 1870 N N . TRP A 1 264 ? -46.139 -3.952 -18.470 1.00 105.26 ? 291 TRP A N 1 ATOM 1871 C CA . TRP A 1 264 ? -45.209 -3.832 -17.356 1.00 111.93 ? 291 TRP A CA 1 ATOM 1872 C C . TRP A 1 264 ? -44.954 -5.153 -16.643 1.00 118.78 ? 291 TRP A C 1 ATOM 1873 O O . TRP A 1 264 ? -44.184 -5.179 -15.678 1.00 126.21 ? 291 TRP A O 1 ATOM 1874 C CB . TRP A 1 264 ? -45.723 -2.799 -16.348 1.00 105.46 ? 291 TRP A CB 1 ATOM 1875 C CG . TRP A 1 264 ? -46.976 -3.219 -15.644 1.00 105.27 ? 291 TRP A CG 1 ATOM 1876 C CD1 . TRP A 1 264 ? -47.066 -4.002 -14.529 1.00 105.65 ? 291 TRP A CD1 1 ATOM 1877 C CD2 . TRP A 1 264 ? -48.319 -2.876 -16.003 1.00 103.27 ? 291 TRP A CD2 1 ATOM 1878 N NE1 . TRP A 1 264 ? -48.382 -4.170 -14.174 1.00 106.36 ? 291 TRP A NE1 1 ATOM 1879 C CE2 . TRP A 1 264 ? -49.171 -3.487 -15.062 1.00 104.48 ? 291 TRP A CE2 1 ATOM 1880 C CE3 . TRP A 1 264 ? -48.884 -2.112 -17.029 1.00 100.60 ? 291 TRP A CE3 1 ATOM 1881 C CZ2 . TRP A 1 264 ? -50.557 -3.359 -15.116 1.00 104.64 ? 291 TRP A CZ2 1 ATOM 1882 C CZ3 . TRP A 1 264 ? -50.260 -1.984 -17.080 1.00 100.73 ? 291 TRP A CZ3 1 ATOM 1883 C CH2 . TRP A 1 264 ? -51.081 -2.605 -16.130 1.00 102.76 ? 291 TRP A CH2 1 ATOM 1884 N N . GLU A 1 265 ? -45.577 -6.240 -17.084 1.00 126.12 ? 292 GLU A N 1 ATOM 1885 C CA . GLU A 1 265 ? -45.409 -7.531 -16.430 1.00 128.96 ? 292 GLU A CA 1 ATOM 1886 C C . GLU A 1 265 ? -45.081 -8.624 -17.441 1.00 132.91 ? 292 GLU A C 1 ATOM 1887 O O . GLU A 1 265 ? -43.913 -8.873 -17.741 1.00 137.65 ? 292 GLU A O 1 ATOM 1888 C CB . GLU A 1 265 ? -46.669 -7.897 -15.642 1.00 131.85 ? 292 GLU A CB 1 ATOM 1889 C CG . GLU A 1 265 ? -47.956 -7.765 -16.441 1.00 134.89 ? 292 GLU A CG 1 ATOM 1890 C CD . GLU A 1 265 ? -49.187 -8.116 -15.628 1.00 135.82 ? 292 GLU A CD 1 ATOM 1891 O OE1 . GLU A 1 265 ? -50.188 -8.567 -16.225 1.00 132.39 ? 292 GLU A OE1 1 ATOM 1892 O OE2 . GLU A 1 265 ? -49.154 -7.942 -14.391 1.00 138.33 ? 292 GLU A OE2 1 ATOM 1893 N N . SER A 1 276 ? -36.782 -13.198 -37.089 1.00 165.22 ? 302 SER A N 1 ATOM 1894 C CA . SER A 1 276 ? -36.375 -14.597 -37.012 1.00 171.43 ? 302 SER A CA 1 ATOM 1895 C C . SER A 1 276 ? -36.324 -15.238 -38.395 1.00 176.67 ? 302 SER A C 1 ATOM 1896 O O . SER A 1 276 ? -36.739 -14.643 -39.387 1.00 173.76 ? 302 SER A O 1 ATOM 1897 C CB . SER A 1 276 ? -37.323 -15.381 -36.102 1.00 168.57 ? 302 SER A CB 1 ATOM 1898 O OG . SER A 1 276 ? -37.278 -14.890 -34.774 1.00 165.23 ? 302 SER A OG 1 ATOM 1899 N N . GLU A 1 277 ? -35.806 -16.464 -38.445 1.00 187.34 ? 303 GLU A N 1 ATOM 1900 C CA . GLU A 1 277 ? -35.671 -17.210 -39.689 1.00 192.36 ? 303 GLU A CA 1 ATOM 1901 C C . GLU A 1 277 ? -36.918 -18.015 -40.033 1.00 207.87 ? 303 GLU A C 1 ATOM 1902 O O . GLU A 1 277 ? -37.106 -18.384 -41.198 1.00 208.06 ? 303 GLU A O 1 ATOM 1903 C CB . GLU A 1 277 ? -34.445 -18.133 -39.585 1.00 185.64 ? 303 GLU A CB 1 ATOM 1904 C CG . GLU A 1 277 ? -34.234 -19.132 -40.722 1.00 188.65 ? 303 GLU A CG 1 ATOM 1905 C CD . GLU A 1 277 ? -34.855 -20.493 -40.439 1.00 197.84 ? 303 GLU A CD 1 ATOM 1906 O OE1 . GLU A 1 277 ? -34.570 -21.446 -41.196 1.00 202.80 ? 303 GLU A OE1 1 ATOM 1907 O OE2 . GLU A 1 277 ? -35.622 -20.613 -39.460 1.00 199.49 ? 303 GLU A OE2 1 ATOM 1908 N N . GLU A 1 278 ? -37.796 -18.246 -39.056 1.00 219.83 ? 304 GLU A N 1 ATOM 1909 C CA . GLU A 1 278 ? -38.807 -19.293 -39.141 1.00 218.24 ? 304 GLU A CA 1 ATOM 1910 C C . GLU A 1 278 ? -39.948 -18.986 -40.105 1.00 206.61 ? 304 GLU A C 1 ATOM 1911 O O . GLU A 1 278 ? -40.704 -19.904 -40.440 1.00 210.05 ? 304 GLU A O 1 ATOM 1912 C CB . GLU A 1 278 ? -39.368 -19.557 -37.744 1.00 218.38 ? 304 GLU A CB 1 ATOM 1913 C CG . GLU A 1 278 ? -38.300 -19.903 -36.717 1.00 219.60 ? 304 GLU A CG 1 ATOM 1914 C CD . GLU A 1 278 ? -38.741 -19.625 -35.293 1.00 218.56 ? 304 GLU A CD 1 ATOM 1915 O OE1 . GLU A 1 278 ? -39.231 -18.507 -35.027 1.00 211.37 ? 304 GLU A OE1 1 ATOM 1916 O OE2 . GLU A 1 278 ? -38.601 -20.528 -34.440 1.00 221.29 ? 304 GLU A OE2 1 ATOM 1917 N N . LEU A 1 279 ? -40.096 -17.748 -40.563 1.00 184.14 ? 305 LEU A N 1 ATOM 1918 C CA . LEU A 1 279 ? -41.251 -17.405 -41.379 1.00 168.04 ? 305 LEU A CA 1 ATOM 1919 C C . LEU A 1 279 ? -41.028 -17.789 -42.842 1.00 161.91 ? 305 LEU A C 1 ATOM 1920 O O . LEU A 1 279 ? -39.896 -17.926 -43.313 1.00 155.38 ? 305 LEU A O 1 ATOM 1921 C CB . LEU A 1 279 ? -41.569 -15.911 -41.271 1.00 155.77 ? 305 LEU A CB 1 ATOM 1922 C CG . LEU A 1 279 ? -42.191 -15.401 -39.966 1.00 153.04 ? 305 LEU A CG 1 ATOM 1923 C CD1 . LEU A 1 279 ? -43.336 -16.304 -39.521 1.00 151.49 ? 305 LEU A CD1 1 ATOM 1924 C CD2 . LEU A 1 279 ? -41.155 -15.245 -38.857 1.00 152.52 ? 305 LEU A CD2 1 ATOM 1925 N N . SER A 1 280 ? -42.138 -17.964 -43.561 1.00 163.65 ? 306 SER A N 1 ATOM 1926 C CA . SER A 1 280 ? -42.111 -18.286 -44.983 1.00 166.85 ? 306 SER A CA 1 ATOM 1927 C C . SER A 1 280 ? -43.146 -17.435 -45.702 1.00 158.86 ? 306 SER A C 1 ATOM 1928 O O . SER A 1 280 ? -44.300 -17.362 -45.269 1.00 159.46 ? 306 SER A O 1 ATOM 1929 C CB . SER A 1 280 ? -42.389 -19.774 -45.228 1.00 168.86 ? 306 SER A CB 1 ATOM 1930 O OG . SER A 1 280 ? -43.781 -20.040 -45.245 1.00 165.94 ? 306 SER A OG 1 ATOM 1931 N N . PHE A 1 281 ? -42.736 -16.808 -46.801 1.00 148.51 ? 307 PHE A N 1 ATOM 1932 C CA . PHE A 1 281 ? -43.564 -15.854 -47.528 1.00 142.97 ? 307 PHE A CA 1 ATOM 1933 C C . PHE A 1 281 ? -43.916 -16.407 -48.904 1.00 149.53 ? 307 PHE A C 1 ATOM 1934 O O . PHE A 1 281 ? -43.026 -16.802 -49.664 1.00 158.48 ? 307 PHE A O 1 ATOM 1935 C CB . PHE A 1 281 ? -42.841 -14.513 -47.670 1.00 142.38 ? 307 PHE A CB 1 ATOM 1936 C CG . PHE A 1 281 ? -42.479 -13.873 -46.357 1.00 146.72 ? 307 PHE A CG 1 ATOM 1937 C CD1 . PHE A 1 281 ? -43.345 -12.984 -45.742 1.00 148.66 ? 307 PHE A CD1 1 ATOM 1938 C CD2 . PHE A 1 281 ? -41.267 -14.153 -45.745 1.00 148.48 ? 307 PHE A CD2 1 ATOM 1939 C CE1 . PHE A 1 281 ? -43.013 -12.391 -44.536 1.00 150.38 ? 307 PHE A CE1 1 ATOM 1940 C CE2 . PHE A 1 281 ? -40.930 -13.564 -44.539 1.00 150.16 ? 307 PHE A CE2 1 ATOM 1941 C CZ . PHE A 1 281 ? -41.804 -12.681 -43.935 1.00 150.64 ? 307 PHE A CZ 1 ATOM 1942 N N . THR A 1 282 ? -45.214 -16.436 -49.218 1.00 145.16 ? 308 THR A N 1 ATOM 1943 C CA . THR A 1 282 ? -45.715 -16.878 -50.514 1.00 147.47 ? 308 THR A CA 1 ATOM 1944 C C . THR A 1 282 ? -46.740 -15.876 -51.027 1.00 150.10 ? 308 THR A C 1 ATOM 1945 O O . THR A 1 282 ? -47.588 -15.404 -50.264 1.00 160.84 ? 308 THR A O 1 ATOM 1946 C CB . THR A 1 282 ? -46.364 -18.273 -50.440 1.00 148.92 ? 308 THR A CB 1 ATOM 1947 O OG1 . THR A 1 282 ? -47.694 -18.157 -49.918 1.00 152.49 ? 308 THR A OG1 1 ATOM 1948 C CG2 . THR A 1 282 ? -45.558 -19.206 -49.546 1.00 146.77 ? 308 THR A CG2 1 ATOM 1949 N N . VAL A 1 283 ? -46.672 -15.566 -52.322 1.00 140.04 ? 309 VAL A N 1 ATOM 1950 C CA . VAL A 1 283 ? -47.529 -14.554 -52.937 1.00 141.55 ? 309 VAL A CA 1 ATOM 1951 C C . VAL A 1 283 ? -48.632 -15.237 -53.734 1.00 149.56 ? 309 VAL A C 1 ATOM 1952 O O . VAL A 1 283 ? -48.392 -16.226 -54.439 1.00 148.17 ? 309 VAL A O 1 ATOM 1953 C CB . VAL A 1 283 ? -46.708 -13.593 -53.821 1.00 128.09 ? 309 VAL A CB 1 ATOM 1954 C CG1 . VAL A 1 283 ? -45.928 -14.358 -54.884 1.00 131.51 ? 309 VAL A CG1 1 ATOM 1955 C CG2 . VAL A 1 283 ? -47.610 -12.540 -54.456 1.00 112.75 ? 309 VAL A CG2 1 ATOM 1956 N N . VAL A 1 284 ? -49.849 -14.712 -53.615 1.00 157.93 ? 310 VAL A N 1 ATOM 1957 C CA . VAL A 1 284 ? -50.999 -15.234 -54.345 1.00 151.37 ? 310 VAL A CA 1 ATOM 1958 C C . VAL A 1 284 ? -51.175 -14.485 -55.662 1.00 143.52 ? 310 VAL A C 1 ATOM 1959 O O . VAL A 1 284 ? -51.690 -13.367 -55.689 1.00 133.26 ? 310 VAL A O 1 ATOM 1960 C CB . VAL A 1 284 ? -52.281 -15.150 -53.498 1.00 142.59 ? 310 VAL A CB 1 ATOM 1961 C CG1 . VAL A 1 284 ? -53.470 -15.701 -54.273 1.00 141.78 ? 310 VAL A CG1 1 ATOM 1962 C CG2 . VAL A 1 284 ? -52.099 -15.898 -52.187 1.00 128.45 ? 310 VAL A CG2 1 ATOM 1963 N N . UNK A 1 286 ? -53.342 -4.082 -57.093 1.00 148.39 ? 471 UNK A N 1 ATOM 1964 C CA . UNK A 1 286 ? -53.039 -4.633 -55.777 1.00 147.95 ? 471 UNK A CA 1 ATOM 1965 C C . UNK A 1 286 ? -52.562 -6.077 -55.886 1.00 152.18 ? 471 UNK A C 1 ATOM 1966 O O . UNK A 1 286 ? -52.667 -6.696 -56.945 1.00 169.19 ? 471 UNK A O 1 ATOM 1967 C CB . UNK A 1 286 ? -54.258 -4.543 -54.871 1.00 145.63 ? 471 UNK A CB 1 ATOM 1968 N N . UNK A 1 287 ? -52.040 -6.610 -54.783 1.00 137.82 ? 472 UNK A N 1 ATOM 1969 C CA . UNK A 1 287 ? -51.535 -7.981 -54.760 1.00 127.32 ? 472 UNK A CA 1 ATOM 1970 C C . UNK A 1 287 ? -51.507 -8.465 -53.320 1.00 127.18 ? 472 UNK A C 1 ATOM 1971 O O . UNK A 1 287 ? -50.877 -7.831 -52.468 1.00 117.74 ? 472 UNK A O 1 ATOM 1972 C CB . UNK A 1 287 ? -50.142 -8.062 -55.386 1.00 114.90 ? 472 UNK A CB 1 ATOM 1973 N N . UNK A 1 288 ? -52.180 -9.579 -53.051 1.00 129.77 ? 473 UNK A N 1 ATOM 1974 C CA . UNK A 1 288 ? -52.234 -10.164 -51.721 1.00 126.04 ? 473 UNK A CA 1 ATOM 1975 C C . UNK A 1 288 ? -51.247 -11.321 -51.606 1.00 127.60 ? 473 UNK A C 1 ATOM 1976 O O . UNK A 1 288 ? -50.725 -11.831 -52.600 1.00 131.91 ? 473 UNK A O 1 ATOM 1977 C CB . UNK A 1 288 ? -53.655 -10.636 -51.398 1.00 123.84 ? 473 UNK A CB 1 ATOM 1978 N N . UNK A 1 289 ? -51.000 -11.738 -50.367 1.00 122.48 ? 474 UNK A N 1 ATOM 1979 C CA . UNK A 1 289 ? -50.039 -12.797 -50.085 1.00 125.04 ? 474 UNK A CA 1 ATOM 1980 C C . UNK A 1 289 ? -50.253 -13.275 -48.655 1.00 132.54 ? 474 UNK A C 1 ATOM 1981 O O . UNK A 1 289 ? -51.060 -12.715 -47.907 1.00 136.30 ? 474 UNK A O 1 ATOM 1982 C CB . UNK A 1 289 ? -48.603 -12.317 -50.298 1.00 118.03 ? 474 UNK A CB 1 ATOM 1983 N N . UNK A 1 290 ? -49.513 -14.319 -48.281 1.00 125.47 ? 475 UNK A N 1 ATOM 1984 C CA . UNK A 1 290 ? -49.664 -14.947 -46.976 1.00 120.49 ? 475 UNK A CA 1 ATOM 1985 C C . UNK A 1 290 ? -48.301 -15.287 -46.392 1.00 121.66 ? 475 UNK A C 1 ATOM 1986 O O . UNK A 1 290 ? -47.400 -15.729 -47.111 1.00 125.77 ? 475 UNK A O 1 ATOM 1987 C CB . UNK A 1 290 ? -50.520 -16.217 -47.064 1.00 120.46 ? 475 UNK A CB 1 ATOM 1988 N N . UNK A 1 291 ? -48.162 -15.088 -45.083 1.00 119.69 ? 476 UNK A N 1 ATOM 1989 C CA . UNK A 1 291 ? -46.947 -15.418 -44.348 1.00 122.33 ? 476 UNK A CA 1 ATOM 1990 C C . UNK A 1 291 ? -47.273 -16.509 -43.339 1.00 131.27 ? 476 UNK A C 1 ATOM 1991 O O . UNK A 1 291 ? -48.067 -16.288 -42.417 1.00 128.25 ? 476 UNK A O 1 ATOM 1992 C CB . UNK A 1 291 ? -46.374 -14.185 -43.647 1.00 118.21 ? 476 UNK A CB 1 ATOM 1993 N N . UNK A 1 292 ? -46.661 -17.678 -43.510 1.00 142.79 ? 477 UNK A N 1 ATOM 1994 C CA . UNK A 1 292 ? -46.933 -18.835 -42.673 1.00 141.08 ? 477 UNK A CA 1 ATOM 1995 C C . UNK A 1 292 ? -45.678 -19.253 -41.920 1.00 147.68 ? 477 UNK A C 1 ATOM 1996 O O . UNK A 1 292 ? -44.562 -18.838 -42.244 1.00 153.37 ? 477 UNK A O 1 ATOM 1997 C CB . UNK A 1 292 ? -47.458 -20.012 -43.506 1.00 139.64 ? 477 UNK A CB 1 ATOM 1998 N N . UNK A 1 293 ? -45.877 -20.091 -40.907 1.00 148.57 ? 478 UNK A N 1 ATOM 1999 C CA . UNK A 1 293 ? -44.775 -20.595 -40.097 1.00 143.99 ? 478 UNK A CA 1 ATOM 2000 C C . UNK A 1 293 ? -44.377 -22.000 -40.536 1.00 144.03 ? 478 UNK A C 1 ATOM 2001 O O . UNK A 1 293 ? -43.788 -22.184 -41.601 1.00 146.91 ? 478 UNK A O 1 ATOM 2002 C CB . UNK A 1 293 ? -45.153 -20.584 -38.625 1.00 138.61 ? 478 UNK A CB 1 ATOM 2003 N N . GLU B 2 1 ? -64.328 9.438 2.496 1.00 108.25 ? 502 GLU B N 1 ATOM 2004 C CA . GLU B 2 1 ? -64.450 8.051 2.067 1.00 124.35 ? 502 GLU B CA 1 ATOM 2005 C C . GLU B 2 1 ? -63.081 7.466 1.740 1.00 123.60 ? 502 GLU B C 1 ATOM 2006 O O . GLU B 2 1 ? -62.158 8.196 1.378 1.00 112.04 ? 502 GLU B O 1 ATOM 2007 C CB . GLU B 2 1 ? -65.360 7.939 0.843 1.00 146.00 ? 502 GLU B CB 1 ATOM 2008 C CG . GLU B 2 1 ? -66.623 8.775 0.907 1.00 163.56 ? 502 GLU B CG 1 ATOM 2009 C CD . GLU B 2 1 ? -67.343 8.824 -0.426 1.00 170.96 ? 502 GLU B CD 1 ATOM 2010 O OE1 . GLU B 2 1 ? -66.678 9.085 -1.452 1.00 165.08 ? 502 GLU B OE1 1 ATOM 2011 O OE2 . GLU B 2 1 ? -68.569 8.591 -0.451 1.00 180.85 ? 502 GLU B OE2 1 ATOM 2012 N N . ALA B 2 2 ? -62.954 6.150 1.862 1.00 106.38 ? 503 ALA B N 1 ATOM 2013 C CA . ALA B 2 2 ? -61.742 5.467 1.444 1.00 115.80 ? 503 ALA B CA 1 ATOM 2014 C C . ALA B 2 2 ? -61.826 5.094 -0.033 1.00 102.29 ? 503 ALA B C 1 ATOM 2015 O O . ALA B 2 2 ? -62.890 5.136 -0.656 1.00 106.05 ? 503 ALA B O 1 ATOM 2016 C CB . ALA B 2 2 ? -61.495 4.225 2.297 1.00 110.09 ? 503 ALA B CB 1 ATOM 2017 N N . ILE B 2 3 ? -60.681 4.708 -0.590 1.00 111.58 ? 504 ILE B N 1 ATOM 2018 C CA . ILE B 2 3 ? -60.530 4.493 -2.024 1.00 89.33 ? 504 ILE B CA 1 ATOM 2019 C C . ILE B 2 3 ? -60.317 3.009 -2.277 1.00 90.92 ? 504 ILE B C 1 ATOM 2020 O O . ILE B 2 3 ? -59.359 2.411 -1.769 1.00 97.58 ? 504 ILE B O 1 ATOM 2021 C CB . ILE B 2 3 ? -59.372 5.317 -2.597 1.00 81.88 ? 504 ILE B CB 1 ATOM 2022 C CG1 . ILE B 2 3 ? -59.406 6.728 -2.019 1.00 86.69 ? 504 ILE B CG1 1 ATOM 2023 C CG2 . ILE B 2 3 ? -59.468 5.368 -4.108 1.00 85.29 ? 504 ILE B CG2 1 ATOM 2024 C CD1 . ILE B 2 3 ? -58.330 7.631 -2.579 1.00 79.20 ? 504 ILE B CD1 1 ATOM 2025 N N . VAL B 2 4 ? -61.203 2.426 -3.078 1.00 93.19 ? 505 VAL B N 1 ATOM 2026 C CA . VAL B 2 4 ? -61.167 1.014 -3.437 1.00 89.44 ? 505 VAL B CA 1 ATOM 2027 C C . VAL B 2 4 ? -60.861 0.928 -4.921 1.00 80.68 ? 505 VAL B C 1 ATOM 2028 O O . VAL B 2 4 ? -61.719 1.240 -5.756 1.00 97.56 ? 505 VAL B O 1 ATOM 2029 C CB . VAL B 2 4 ? -62.493 0.309 -3.129 1.00 94.76 ? 505 VAL B CB 1 ATOM 2030 C CG1 . VAL B 2 4 ? -62.448 -1.131 -3.623 1.00 100.92 ? 505 VAL B CG1 1 ATOM 2031 C CG2 . VAL B 2 4 ? -62.802 0.373 -1.660 1.00 104.33 ? 505 VAL B CG2 1 ATOM 2032 N N . ASN B 2 5 ? -59.656 0.488 -5.262 1.00 84.71 ? 506 ASN B N 1 ATOM 2033 C CA . ASN B 2 5 ? -59.337 0.271 -6.664 1.00 80.52 ? 506 ASN B CA 1 ATOM 2034 C C . ASN B 2 5 ? -60.167 -0.893 -7.194 1.00 81.71 ? 506 ASN B C 1 ATOM 2035 O O . ASN B 2 5 ? -60.083 -2.013 -6.679 1.00 88.45 ? 506 ASN B O 1 ATOM 2036 C CB . ASN B 2 5 ? -57.848 0.004 -6.845 1.00 65.86 ? 506 ASN B CB 1 ATOM 2037 C CG . ASN B 2 5 ? -57.456 -0.108 -8.303 1.00 91.41 ? 506 ASN B CG 1 ATOM 2038 O OD1 . ASN B 2 5 ? -57.981 -0.944 -9.041 1.00 70.95 ? 506 ASN B OD1 1 ATOM 2039 N ND2 . ASN B 2 5 ? -56.548 0.754 -8.736 1.00 67.59 ? 506 ASN B ND2 1 ATOM 2040 N N . ALA B 2 6 ? -60.974 -0.623 -8.217 1.00 72.29 ? 507 ALA B N 1 ATOM 2041 C CA . ALA B 2 6 ? -61.845 -1.620 -8.824 1.00 83.80 ? 507 ALA B CA 1 ATOM 2042 C C . ALA B 2 6 ? -61.565 -1.752 -10.316 1.00 77.97 ? 507 ALA B C 1 ATOM 2043 O O . ALA B 2 6 ? -62.475 -1.997 -11.110 1.00 87.66 ? 507 ALA B O 1 ATOM 2044 C CB . ALA B 2 6 ? -63.314 -1.280 -8.576 1.00 82.57 ? 507 ALA B CB 1 ATOM 2045 N N . GLN B 2 7 ? -60.306 -1.579 -10.705 1.00 66.25 ? 508 GLN B N 1 ATOM 2046 C CA . GLN B 2 7 ? -59.878 -1.644 -12.093 1.00 64.56 ? 508 GLN B CA 1 ATOM 2047 C C . GLN B 2 7 ? -59.438 -3.055 -12.453 1.00 70.17 ? 508 GLN B C 1 ATOM 2048 O O . GLN B 2 7 ? -59.105 -3.856 -11.573 1.00 71.34 ? 508 GLN B O 1 ATOM 2049 C CB . GLN B 2 7 ? -58.730 -0.662 -12.333 1.00 63.62 ? 508 GLN B CB 1 ATOM 2050 C CG . GLN B 2 7 ? -59.077 0.776 -11.999 1.00 71.91 ? 508 GLN B CG 1 ATOM 2051 C CD . GLN B 2 7 ? -60.300 1.266 -12.751 1.00 77.85 ? 508 GLN B CD 1 ATOM 2052 O OE1 . GLN B 2 7 ? -60.419 1.073 -13.960 1.00 74.78 ? 508 GLN B OE1 1 ATOM 2053 N NE2 . GLN B 2 7 ? -61.225 1.892 -12.032 1.00 78.01 ? 508 GLN B NE2 1 ATOM 2054 N N . PRO B 2 8 ? -59.428 -3.397 -13.746 1.00 80.61 ? 509 PRO B N 1 ATOM 2055 C CA . PRO B 2 8 ? -58.976 -4.744 -14.131 1.00 74.95 ? 509 PRO B CA 1 ATOM 2056 C C . PRO B 2 8 ? -57.542 -5.027 -13.727 1.00 77.29 ? 509 PRO B C 1 ATOM 2057 O O . PRO B 2 8 ? -57.215 -6.159 -13.347 1.00 75.18 ? 509 PRO B O 1 ATOM 2058 C CB . PRO B 2 8 ? -59.143 -4.750 -15.657 1.00 74.70 ? 509 PRO B CB 1 ATOM 2059 C CG . PRO B 2 8 ? -60.132 -3.676 -15.941 1.00 77.75 ? 509 PRO B CG 1 ATOM 2060 C CD . PRO B 2 8 ? -59.917 -2.624 -14.900 1.00 66.36 ? 509 PRO B CD 1 ATOM 2061 N N . LYS B 2 9 ? -56.675 -4.020 -13.796 1.00 70.81 ? 510 LYS B N 1 ATOM 2062 C CA . LYS B 2 9 ? -55.274 -4.174 -13.438 1.00 67.93 ? 510 LYS B CA 1 ATOM 2063 C C . LYS B 2 9 ? -54.795 -2.894 -12.767 1.00 70.24 ? 510 LYS B C 1 ATOM 2064 O O . LYS B 2 9 ? -55.463 -1.859 -12.809 1.00 65.33 ? 510 LYS B O 1 ATOM 2065 C CB . LYS B 2 9 ? -54.416 -4.494 -14.667 1.00 75.50 ? 510 LYS B CB 1 ATOM 2066 C CG . LYS B 2 9 ? -54.614 -5.891 -15.231 1.00 81.26 ? 510 LYS B CG 1 ATOM 2067 C CD . LYS B 2 9 ? -53.294 -6.636 -15.284 1.00 101.99 ? 510 LYS B CD 1 ATOM 2068 C CE . LYS B 2 9 ? -53.487 -8.095 -15.662 1.00 115.96 ? 510 LYS B CE 1 ATOM 2069 N NZ . LYS B 2 9 ? -53.934 -8.270 -17.071 1.00 119.01 ? 510 LYS B NZ 1 ATOM 2070 N N . CYS B 2 10 ? -53.623 -2.979 -12.139 1.00 65.23 ? 511 CYS B N 1 ATOM 2071 C CA . CYS B 2 10 ? -52.927 -1.807 -11.619 1.00 70.02 ? 511 CYS B CA 1 ATOM 2072 C C . CYS B 2 10 ? -51.441 -1.932 -11.910 1.00 69.12 ? 511 CYS B C 1 ATOM 2073 O O . CYS B 2 10 ? -50.824 -2.945 -11.568 1.00 75.40 ? 511 CYS B O 1 ATOM 2074 C CB . CYS B 2 10 ? -53.138 -1.624 -10.107 1.00 74.08 ? 511 CYS B CB 1 ATOM 2075 S SG . CYS B 2 10 ? -52.141 -0.259 -9.420 1.00 82.70 ? 511 CYS B SG 1 ATOM 2076 N N . ASN B 2 11 ? -50.874 -0.905 -12.543 1.00 69.99 ? 512 ASN B N 1 ATOM 2077 C CA . ASN B 2 11 ? -49.426 -0.785 -12.652 1.00 74.50 ? 512 ASN B CA 1 ATOM 2078 C C . ASN B 2 11 ? -48.919 -0.187 -11.347 1.00 64.78 ? 512 ASN B C 1 ATOM 2079 O O . ASN B 2 11 ? -49.148 0.999 -11.078 1.00 64.94 ? 512 ASN B O 1 ATOM 2080 C CB . ASN B 2 11 ? -49.022 0.082 -13.846 1.00 74.23 ? 512 ASN B CB 1 ATOM 2081 C CG . ASN B 2 11 ? -47.518 0.086 -14.089 1.00 70.80 ? 512 ASN B CG 1 ATOM 2082 O OD1 . ASN B 2 11 ? -46.739 -0.414 -13.274 1.00 68.88 ? 512 ASN B OD1 1 ATOM 2083 N ND2 . ASN B 2 11 ? -47.104 0.660 -15.213 1.00 67.50 ? 512 ASN B ND2 1 ATOM 2084 N N . PRO B 2 12 ? -48.236 -0.970 -10.508 1.00 69.22 ? 513 PRO B N 1 ATOM 2085 C CA . PRO B 2 12 ? -47.902 -0.485 -9.161 1.00 73.56 ? 513 PRO B CA 1 ATOM 2086 C C . PRO B 2 12 ? -46.762 0.520 -9.128 1.00 70.59 ? 513 PRO B C 1 ATOM 2087 O O . PRO B 2 12 ? -46.538 1.131 -8.075 1.00 75.19 ? 513 PRO B O 1 ATOM 2088 C CB . PRO B 2 12 ? -47.532 -1.770 -8.414 1.00 70.62 ? 513 PRO B CB 1 ATOM 2089 C CG . PRO B 2 12 ? -46.972 -2.651 -9.479 1.00 75.01 ? 513 PRO B CG 1 ATOM 2090 C CD . PRO B 2 12 ? -47.768 -2.349 -10.730 1.00 69.18 ? 513 PRO B CD 1 ATOM 2091 N N . ASN B 2 13 ? -46.044 0.717 -10.230 1.00 70.81 ? 514 ASN B N 1 ATOM 2092 C CA . ASN B 2 13 ? -44.940 1.663 -10.296 1.00 79.37 ? 514 ASN B CA 1 ATOM 2093 C C . ASN B 2 13 ? -45.332 2.859 -11.153 1.00 79.70 ? 514 ASN B C 1 ATOM 2094 O O . ASN B 2 13 ? -45.983 2.703 -12.192 1.00 72.60 ? 514 ASN B O 1 ATOM 2095 C CB . ASN B 2 13 ? -43.685 0.994 -10.860 1.00 70.08 ? 514 ASN B CB 1 ATOM 2096 C CG . ASN B 2 13 ? -43.247 -0.207 -10.043 1.00 78.65 ? 514 ASN B CG 1 ATOM 2097 O OD1 . ASN B 2 13 ? -43.071 -0.110 -8.829 1.00 78.80 ? 514 ASN B OD1 1 ATOM 2098 N ND2 . ASN B 2 13 ? -43.077 -1.346 -10.703 1.00 80.50 ? 514 ASN B ND2 1 ATOM 2099 N N . LEU B 2 14 ? -44.936 4.053 -10.713 1.00 71.23 ? 515 LEU B N 1 ATOM 2100 C CA . LEU B 2 14 ? -45.269 5.302 -11.394 1.00 76.85 ? 515 LEU B CA 1 ATOM 2101 C C . LEU B 2 14 ? -43.986 5.958 -11.889 1.00 76.14 ? 515 LEU B C 1 ATOM 2102 O O . LEU B 2 14 ? -43.222 6.522 -11.097 1.00 77.51 ? 515 LEU B O 1 ATOM 2103 C CB . LEU B 2 14 ? -46.038 6.245 -10.469 1.00 67.43 ? 515 LEU B CB 1 ATOM 2104 C CG . LEU B 2 14 ? -46.430 7.603 -11.049 1.00 77.70 ? 515 LEU B CG 1 ATOM 2105 C CD1 . LEU B 2 14 ? -47.298 7.430 -12.279 1.00 76.38 ? 515 LEU B CD1 1 ATOM 2106 C CD2 . LEU B 2 14 ? -47.147 8.425 -9.994 1.00 75.43 ? 515 LEU B CD2 1 ATOM 2107 N N . HIS B 2 15 ? -43.762 5.887 -13.197 1.00 69.36 ? 516 HIS B N 1 ATOM 2108 C CA . HIS B 2 15 ? -42.636 6.534 -13.858 1.00 59.28 ? 516 HIS B CA 1 ATOM 2109 C C . HIS B 2 15 ? -43.146 7.843 -14.452 1.00 68.84 ? 516 HIS B C 1 ATOM 2110 O O . HIS B 2 15 ? -43.862 7.834 -15.459 1.00 74.77 ? 516 HIS B O 1 ATOM 2111 C CB . HIS B 2 15 ? -42.062 5.616 -14.933 1.00 62.59 ? 516 HIS B CB 1 ATOM 2112 C CG . HIS B 2 15 ? -40.803 6.121 -15.563 1.00 69.26 ? 516 HIS B CG 1 ATOM 2113 N ND1 . HIS B 2 15 ? -40.291 5.584 -16.723 1.00 74.92 ? 516 HIS B ND1 1 ATOM 2114 C CD2 . HIS B 2 15 ? -39.947 7.103 -15.194 1.00 73.18 ? 516 HIS B CD2 1 ATOM 2115 C CE1 . HIS B 2 15 ? -39.175 6.214 -17.044 1.00 73.64 ? 516 HIS B CE1 1 ATOM 2116 N NE2 . HIS B 2 15 ? -38.944 7.141 -16.132 1.00 80.26 ? 516 HIS B NE2 1 ATOM 2117 N N . TYR B 2 16 ? -42.787 8.962 -13.833 1.00 63.10 ? 517 TYR B N 1 ATOM 2118 C CA . TYR B 2 16 ? -43.451 10.223 -14.124 1.00 62.37 ? 517 TYR B CA 1 ATOM 2119 C C . TYR B 2 16 ? -42.518 11.246 -14.758 1.00 63.77 ? 517 TYR B C 1 ATOM 2120 O O . TYR B 2 16 ? -41.292 11.112 -14.743 1.00 64.11 ? 517 TYR B O 1 ATOM 2121 C CB . TYR B 2 16 ? -44.086 10.812 -12.860 1.00 68.52 ? 517 TYR B CB 1 ATOM 2122 C CG . TYR B 2 16 ? -43.146 11.246 -11.748 1.00 73.89 ? 517 TYR B CG 1 ATOM 2123 C CD1 . TYR B 2 16 ? -42.640 12.540 -11.698 1.00 75.23 ? 517 TYR B CD1 1 ATOM 2124 C CD2 . TYR B 2 16 ? -42.812 10.375 -10.714 1.00 84.87 ? 517 TYR B CD2 1 ATOM 2125 C CE1 . TYR B 2 16 ? -41.803 12.946 -10.671 1.00 74.66 ? 517 TYR B CE1 1 ATOM 2126 C CE2 . TYR B 2 16 ? -41.977 10.773 -9.681 1.00 76.49 ? 517 TYR B CE2 1 ATOM 2127 C CZ . TYR B 2 16 ? -41.476 12.058 -9.666 1.00 78.25 ? 517 TYR B CZ 1 ATOM 2128 O OH . TYR B 2 16 ? -40.645 12.451 -8.641 1.00 77.29 ? 517 TYR B OH 1 ATOM 2129 N N . TRP B 2 17 ? -43.143 12.278 -15.331 1.00 59.76 ? 518 TRP B N 1 ATOM 2130 C CA . TRP B 2 17 ? -42.465 13.440 -15.886 1.00 56.51 ? 518 TRP B CA 1 ATOM 2131 C C . TRP B 2 17 ? -43.150 14.707 -15.392 1.00 58.45 ? 518 TRP B C 1 ATOM 2132 O O . TRP B 2 17 ? -44.361 14.716 -15.148 1.00 66.72 ? 518 TRP B O 1 ATOM 2133 C CB . TRP B 2 17 ? -42.464 13.423 -17.425 1.00 56.17 ? 518 TRP B CB 1 ATOM 2134 C CG . TRP B 2 17 ? -43.829 13.292 -18.052 1.00 65.08 ? 518 TRP B CG 1 ATOM 2135 C CD1 . TRP B 2 17 ? -44.411 12.147 -18.516 1.00 69.74 ? 518 TRP B CD1 1 ATOM 2136 C CD2 . TRP B 2 17 ? -44.771 14.347 -18.295 1.00 59.78 ? 518 TRP B CD2 1 ATOM 2137 N NE1 . TRP B 2 17 ? -45.658 12.422 -19.027 1.00 61.79 ? 518 TRP B NE1 1 ATOM 2138 C CE2 . TRP B 2 17 ? -45.902 13.765 -18.904 1.00 69.92 ? 518 TRP B CE2 1 ATOM 2139 C CE3 . TRP B 2 17 ? -44.770 15.725 -18.055 1.00 68.91 ? 518 TRP B CE3 1 ATOM 2140 C CZ2 . TRP B 2 17 ? -47.019 14.513 -19.275 1.00 77.01 ? 518 TRP B CZ2 1 ATOM 2141 C CZ3 . TRP B 2 17 ? -45.882 16.466 -18.420 1.00 63.52 ? 518 TRP B CZ3 1 ATOM 2142 C CH2 . TRP B 2 17 ? -46.989 15.859 -19.025 1.00 74.33 ? 518 TRP B CH2 1 ATOM 2143 N N . THR B 2 18 ? -42.372 15.779 -15.267 1.00 67.95 ? 519 THR B N 1 ATOM 2144 C CA . THR B 2 18 ? -42.885 17.074 -14.827 1.00 65.29 ? 519 THR B CA 1 ATOM 2145 C C . THR B 2 18 ? -41.804 18.125 -15.063 1.00 66.71 ? 519 THR B C 1 ATOM 2146 O O . THR B 2 18 ? -40.741 17.836 -15.623 1.00 65.55 ? 519 THR B O 1 ATOM 2147 C CB . THR B 2 18 ? -43.311 17.044 -13.358 1.00 69.91 ? 519 THR B CB 1 ATOM 2148 O OG1 . THR B 2 18 ? -44.016 18.248 -13.034 1.00 62.23 ? 519 THR B OG1 1 ATOM 2149 C CG2 . THR B 2 18 ? -42.095 16.916 -12.447 1.00 59.83 ? 519 THR B CG2 1 ATOM 2150 N N . THR B 2 19 ? -42.083 19.351 -14.628 1.00 63.46 ? 520 THR B N 1 ATOM 2151 C CA . THR B 2 19 ? -41.111 20.434 -14.647 1.00 70.37 ? 520 THR B CA 1 ATOM 2152 C C . THR B 2 19 ? -40.480 20.597 -13.269 1.00 72.87 ? 520 THR B C 1 ATOM 2153 O O . THR B 2 19 ? -41.036 20.182 -12.248 1.00 74.61 ? 520 THR B O 1 ATOM 2154 C CB . THR B 2 19 ? -41.754 21.753 -15.091 1.00 59.96 ? 520 THR B CB 1 ATOM 2155 O OG1 . THR B 2 19 ? -42.797 22.117 -14.177 1.00 66.85 ? 520 THR B OG1 1 ATOM 2156 C CG2 . THR B 2 19 ? -42.331 21.626 -16.494 1.00 59.95 ? 520 THR B CG2 1 ATOM 2157 N N . GLN B 2 20 ? -39.303 21.214 -13.253 1.00 81.49 ? 521 GLN B N 1 ATOM 2158 C CA . GLN B 2 20 ? -38.519 21.337 -12.032 1.00 82.64 ? 521 GLN B CA 1 ATOM 2159 C C . GLN B 2 20 ? -39.032 22.490 -11.177 1.00 87.50 ? 521 GLN B C 1 ATOM 2160 O O . GLN B 2 20 ? -39.298 23.583 -11.686 1.00 103.58 ? 521 GLN B O 1 ATOM 2161 C CB . GLN B 2 20 ? -37.045 21.542 -12.380 1.00 86.24 ? 521 GLN B CB 1 ATOM 2162 C CG . GLN B 2 20 ? -36.164 21.919 -11.208 1.00 87.34 ? 521 GLN B CG 1 ATOM 2163 C CD . GLN B 2 20 ? -35.977 20.781 -10.225 1.00 117.60 ? 521 GLN B CD 1 ATOM 2164 O OE1 . GLN B 2 20 ? -36.782 20.590 -9.313 1.00 120.93 ? 521 GLN B OE1 1 ATOM 2165 N NE2 . GLN B 2 20 ? -34.903 20.021 -10.402 1.00 128.85 ? 521 GLN B NE2 1 ATOM 2166 N N . ASP B 2 21 ? -39.167 22.243 -9.873 1.00 92.63 ? 522 ASP B N 1 ATOM 2167 C CA . ASP B 2 21 ? -39.649 23.254 -8.938 1.00 97.23 ? 522 ASP B CA 1 ATOM 2168 C C . ASP B 2 21 ? -38.549 23.901 -8.109 1.00 102.87 ? 522 ASP B C 1 ATOM 2169 O O . ASP B 2 21 ? -38.708 25.052 -7.689 1.00 99.82 ? 522 ASP B O 1 ATOM 2170 C CB . ASP B 2 21 ? -40.684 22.653 -7.979 1.00 97.92 ? 522 ASP B CB 1 ATOM 2171 C CG . ASP B 2 21 ? -42.083 22.630 -8.564 1.00 109.93 ? 522 ASP B CG 1 ATOM 2172 O OD1 . ASP B 2 21 ? -42.988 22.064 -7.914 1.00 101.33 ? 522 ASP B OD1 1 ATOM 2173 O OD2 . ASP B 2 21 ? -42.274 23.168 -9.674 1.00 98.99 ? 522 ASP B OD2 1 ATOM 2174 N N . GLU B 2 22 ? -37.448 23.200 -7.846 1.00 123.09 ? 523 GLU B N 1 ATOM 2175 C CA . GLU B 2 22 ? -36.417 23.687 -6.942 1.00 131.92 ? 523 GLU B CA 1 ATOM 2176 C C . GLU B 2 22 ? -35.065 23.746 -7.640 1.00 139.15 ? 523 GLU B C 1 ATOM 2177 O O . GLU B 2 22 ? -34.803 23.005 -8.591 1.00 150.65 ? 523 GLU B O 1 ATOM 2178 C CB . GLU B 2 22 ? -36.311 22.798 -5.696 1.00 128.43 ? 523 GLU B CB 1 ATOM 2179 C CG . GLU B 2 22 ? -37.559 22.784 -4.830 1.00 143.01 ? 523 GLU B CG 1 ATOM 2180 C CD . GLU B 2 22 ? -37.432 21.852 -3.641 1.00 172.00 ? 523 GLU B CD 1 ATOM 2181 O OE1 . GLU B 2 22 ? -36.494 21.027 -3.628 1.00 182.98 ? 523 GLU B OE1 1 ATOM 2182 O OE2 . GLU B 2 22 ? -38.268 21.946 -2.719 1.00 183.21 ? 523 GLU B OE2 1 ATOM 2183 N N . GLY B 2 23 ? -34.202 24.634 -7.150 1.00 130.26 ? 524 GLY B N 1 ATOM 2184 C CA . GLY B 2 23 ? -32.855 24.752 -7.675 1.00 136.27 ? 524 GLY B CA 1 ATOM 2185 C C . GLY B 2 23 ? -32.690 25.856 -8.699 1.00 150.13 ? 524 GLY B C 1 ATOM 2186 O O . GLY B 2 23 ? -33.460 25.940 -9.661 1.00 148.30 ? 524 GLY B O 1 ATOM 2187 N N . ALA B 2 24 ? -31.687 26.707 -8.504 1.00 152.59 ? 525 ALA B N 1 ATOM 2188 C CA . ALA B 2 24 ? -31.435 27.796 -9.432 1.00 142.26 ? 525 ALA B CA 1 ATOM 2189 C C . ALA B 2 24 ? -30.840 27.269 -10.736 1.00 131.04 ? 525 ALA B C 1 ATOM 2190 O O . ALA B 2 24 ? -30.279 26.171 -10.800 1.00 136.07 ? 525 ALA B O 1 ATOM 2191 C CB . ALA B 2 24 ? -30.499 28.830 -8.808 1.00 138.29 ? 525 ALA B CB 1 ATOM 2192 N N . ALA B 2 25 ? -30.968 28.077 -11.785 1.00 117.69 ? 526 ALA B N 1 ATOM 2193 C CA . ALA B 2 25 ? -30.447 27.703 -13.090 1.00 111.82 ? 526 ALA B CA 1 ATOM 2194 C C . ALA B 2 25 ? -28.921 27.767 -13.095 1.00 113.79 ? 526 ALA B C 1 ATOM 2195 O O . ALA B 2 25 ? -28.286 28.336 -12.201 1.00 114.91 ? 526 ALA B O 1 ATOM 2196 C CB . ALA B 2 25 ? -31.024 28.607 -14.178 1.00 102.71 ? 526 ALA B CB 1 ATOM 2197 N N . ILE B 2 26 ? -28.330 27.167 -14.124 1.00 114.61 ? 527 ILE B N 1 ATOM 2198 C CA . ILE B 2 26 ? -26.883 27.101 -14.283 1.00 119.13 ? 527 ILE B CA 1 ATOM 2199 C C . ILE B 2 26 ? -26.492 28.073 -15.387 1.00 110.10 ? 527 ILE B C 1 ATOM 2200 O O . ILE B 2 26 ? -26.765 27.830 -16.570 1.00 108.93 ? 527 ILE B O 1 ATOM 2201 C CB . ILE B 2 26 ? -26.406 25.677 -14.600 1.00 117.68 ? 527 ILE B CB 1 ATOM 2202 C CG1 . ILE B 2 26 ? -26.821 24.715 -13.485 1.00 111.24 ? 527 ILE B CG1 1 ATOM 2203 C CG2 . ILE B 2 26 ? -24.897 25.655 -14.804 1.00 110.47 ? 527 ILE B CG2 1 ATOM 2204 C CD1 . ILE B 2 26 ? -26.375 25.152 -12.108 1.00 111.02 ? 527 ILE B CD1 1 ATOM 2205 N N . GLY B 2 27 ? -25.856 29.174 -15.004 1.00 93.96 ? 528 GLY B N 1 ATOM 2206 C CA . GLY B 2 27 ? -25.366 30.121 -15.993 1.00 94.01 ? 528 GLY B CA 1 ATOM 2207 C C . GLY B 2 27 ? -26.502 30.859 -16.674 1.00 97.99 ? 528 GLY B C 1 ATOM 2208 O O . GLY B 2 27 ? -27.380 31.435 -16.022 1.00 93.34 ? 528 GLY B O 1 ATOM 2209 N N . LEU B 2 28 ? -26.487 30.842 -18.005 1.00 90.02 ? 529 LEU B N 1 ATOM 2210 C CA . LEU B 2 28 ? -27.461 31.557 -18.817 1.00 86.97 ? 529 LEU B CA 1 ATOM 2211 C C . LEU B 2 28 ? -28.662 30.701 -19.205 1.00 76.39 ? 529 LEU B C 1 ATOM 2212 O O . LEU B 2 28 ? -29.489 31.150 -20.004 1.00 76.57 ? 529 LEU B O 1 ATOM 2213 C CB . LEU B 2 28 ? -26.792 32.092 -20.087 1.00 82.54 ? 529 LEU B CB 1 ATOM 2214 C CG . LEU B 2 28 ? -25.526 32.934 -19.936 1.00 96.39 ? 529 LEU B CG 1 ATOM 2215 C CD1 . LEU B 2 28 ? -24.942 33.242 -21.306 1.00 77.05 ? 529 LEU B CD1 1 ATOM 2216 C CD2 . LEU B 2 28 ? -25.827 34.216 -19.186 1.00 102.85 ? 529 LEU B CD2 1 ATOM 2217 N N . ALA B 2 29 ? -28.781 29.487 -18.660 1.00 68.51 ? 530 ALA B N 1 ATOM 2218 C CA . ALA B 2 29 ? -29.827 28.564 -19.083 1.00 70.56 ? 530 ALA B CA 1 ATOM 2219 C C . ALA B 2 29 ? -31.235 29.059 -18.768 1.00 78.77 ? 530 ALA B C 1 ATOM 2220 O O . ALA B 2 29 ? -32.198 28.516 -19.320 1.00 79.59 ? 530 ALA B O 1 ATOM 2221 C CB . ALA B 2 29 ? -29.610 27.193 -18.436 1.00 71.69 ? 530 ALA B CB 1 ATOM 2222 N N . TRP B 2 30 ? -31.382 30.058 -17.897 1.00 74.78 ? 531 TRP B N 1 ATOM 2223 C CA . TRP B 2 30 ? -32.697 30.592 -17.566 1.00 68.52 ? 531 TRP B CA 1 ATOM 2224 C C . TRP B 2 30 ? -33.212 31.574 -18.607 1.00 60.47 ? 531 TRP B C 1 ATOM 2225 O O . TRP B 2 30 ? -34.414 31.866 -18.629 1.00 58.79 ? 531 TRP B O 1 ATOM 2226 C CB . TRP B 2 30 ? -32.653 31.275 -16.198 1.00 62.83 ? 531 TRP B CB 1 ATOM 2227 C CG . TRP B 2 30 ? -31.682 32.410 -16.147 1.00 63.04 ? 531 TRP B CG 1 ATOM 2228 C CD1 . TRP B 2 30 ? -30.357 32.343 -15.830 1.00 62.24 ? 531 TRP B CD1 1 ATOM 2229 C CD2 . TRP B 2 30 ? -31.957 33.787 -16.432 1.00 64.42 ? 531 TRP B CD2 1 ATOM 2230 N NE1 . TRP B 2 30 ? -29.790 33.592 -15.896 1.00 75.70 ? 531 TRP B NE1 1 ATOM 2231 C CE2 . TRP B 2 30 ? -30.751 34.497 -16.265 1.00 70.85 ? 531 TRP B CE2 1 ATOM 2232 C CE3 . TRP B 2 30 ? -33.107 34.487 -16.810 1.00 59.37 ? 531 TRP B CE3 1 ATOM 2233 C CZ2 . TRP B 2 30 ? -30.663 35.875 -16.463 1.00 74.88 ? 531 TRP B CZ2 1 ATOM 2234 C CZ3 . TRP B 2 30 ? -33.017 35.853 -17.007 1.00 60.87 ? 531 TRP B CZ3 1 ATOM 2235 C CH2 . TRP B 2 30 ? -31.804 36.533 -16.832 1.00 63.15 ? 531 TRP B CH2 1 ATOM 2236 N N . ILE B 2 31 ? -32.332 32.099 -19.456 1.00 62.05 ? 532 ILE B N 1 ATOM 2237 C CA . ILE B 2 31 ? -32.714 33.045 -20.502 1.00 69.96 ? 532 ILE B CA 1 ATOM 2238 C C . ILE B 2 31 ? -33.405 32.274 -21.617 1.00 63.07 ? 532 ILE B C 1 ATOM 2239 O O . ILE B 2 31 ? -32.838 31.297 -22.129 1.00 69.09 ? 532 ILE B O 1 ATOM 2240 C CB . ILE B 2 31 ? -31.497 33.815 -21.030 1.00 69.95 ? 532 ILE B CB 1 ATOM 2241 C CG1 . ILE B 2 31 ? -30.902 34.686 -19.925 1.00 65.85 ? 532 ILE B CG1 1 ATOM 2242 C CG2 . ILE B 2 31 ? -31.885 34.674 -22.224 1.00 61.28 ? 532 ILE B CG2 1 ATOM 2243 C CD1 . ILE B 2 31 ? -29.528 35.248 -20.260 1.00 60.96 ? 532 ILE B CD1 1 ATOM 2244 N N . PRO B 2 32 ? -34.619 32.664 -22.017 1.00 58.10 ? 533 PRO B N 1 ATOM 2245 C CA . PRO B 2 32 ? -35.313 31.925 -23.087 1.00 68.12 ? 533 PRO B CA 1 ATOM 2246 C C . PRO B 2 32 ? -34.493 31.778 -24.355 1.00 71.13 ? 533 PRO B C 1 ATOM 2247 O O . PRO B 2 32 ? -34.537 30.723 -24.997 1.00 63.67 ? 533 PRO B O 1 ATOM 2248 C CB . PRO B 2 32 ? -36.573 32.768 -23.326 1.00 67.49 ? 533 PRO B CB 1 ATOM 2249 C CG . PRO B 2 32 ? -36.823 33.443 -22.027 1.00 57.85 ? 533 PRO B CG 1 ATOM 2250 C CD . PRO B 2 32 ? -35.463 33.723 -21.437 1.00 54.60 ? 533 PRO B CD 1 ATOM 2251 N N . TYR B 2 33 ? -33.730 32.811 -24.724 1.00 63.68 ? 534 TYR B N 1 ATOM 2252 C CA . TYR B 2 33 ? -32.966 32.762 -25.966 1.00 62.13 ? 534 TYR B CA 1 ATOM 2253 C C . TYR B 2 33 ? -31.923 31.652 -25.936 1.00 69.64 ? 534 TYR B C 1 ATOM 2254 O O . TYR B 2 33 ? -31.648 31.019 -26.962 1.00 70.48 ? 534 TYR B O 1 ATOM 2255 C CB . TYR B 2 33 ? -32.309 34.117 -26.225 1.00 60.66 ? 534 TYR B CB 1 ATOM 2256 C CG . TYR B 2 33 ? -31.404 34.156 -27.438 1.00 69.48 ? 534 TYR B CG 1 ATOM 2257 C CD1 . TYR B 2 33 ? -30.022 34.101 -27.299 1.00 64.42 ? 534 TYR B CD1 1 ATOM 2258 C CD2 . TYR B 2 33 ? -31.931 34.259 -28.721 1.00 70.42 ? 534 TYR B CD2 1 ATOM 2259 C CE1 . TYR B 2 33 ? -29.191 34.142 -28.403 1.00 86.62 ? 534 TYR B CE1 1 ATOM 2260 C CE2 . TYR B 2 33 ? -31.107 34.301 -29.833 1.00 70.31 ? 534 TYR B CE2 1 ATOM 2261 C CZ . TYR B 2 33 ? -29.738 34.242 -29.668 1.00 85.94 ? 534 TYR B CZ 1 ATOM 2262 O OH . TYR B 2 33 ? -28.914 34.283 -30.770 1.00 89.96 ? 534 TYR B OH 1 ATOM 2263 N N . PHE B 2 34 ? -31.338 31.392 -24.766 1.00 58.96 ? 535 PHE B N 1 ATOM 2264 C CA . PHE B 2 34 ? -30.284 30.392 -24.647 1.00 64.10 ? 535 PHE B CA 1 ATOM 2265 C C . PHE B 2 34 ? -30.763 29.059 -24.090 1.00 72.23 ? 535 PHE B C 1 ATOM 2266 O O . PHE B 2 34 ? -30.057 28.056 -24.241 1.00 70.63 ? 535 PHE B O 1 ATOM 2267 C CB . PHE B 2 34 ? -29.152 30.916 -23.754 1.00 62.95 ? 535 PHE B CB 1 ATOM 2268 C CG . PHE B 2 34 ? -28.348 32.026 -24.371 1.00 77.10 ? 535 PHE B CG 1 ATOM 2269 C CD1 . PHE B 2 34 ? -27.483 31.772 -25.425 1.00 67.21 ? 535 PHE B CD1 1 ATOM 2270 C CD2 . PHE B 2 34 ? -28.440 33.321 -23.883 1.00 66.40 ? 535 PHE B CD2 1 ATOM 2271 C CE1 . PHE B 2 34 ? -26.734 32.791 -25.989 1.00 73.05 ? 535 PHE B CE1 1 ATOM 2272 C CE2 . PHE B 2 34 ? -27.692 34.343 -24.440 1.00 70.55 ? 535 PHE B CE2 1 ATOM 2273 C CZ . PHE B 2 34 ? -26.838 34.077 -25.495 1.00 77.72 ? 535 PHE B CZ 1 ATOM 2274 N N . GLY B 2 35 ? -31.936 29.018 -23.462 1.00 66.72 ? 536 GLY B N 1 ATOM 2275 C CA . GLY B 2 35 ? -32.374 27.846 -22.743 1.00 65.65 ? 536 GLY B CA 1 ATOM 2276 C C . GLY B 2 35 ? -32.875 26.723 -23.629 1.00 59.15 ? 536 GLY B C 1 ATOM 2277 O O . GLY B 2 35 ? -32.787 26.777 -24.861 1.00 66.92 ? 536 GLY B O 1 ATOM 2278 N N . PRO B 2 36 ? -33.421 25.681 -23.008 1.00 78.68 ? 537 PRO B N 1 ATOM 2279 C CA . PRO B 2 36 ? -33.881 24.521 -23.776 1.00 73.42 ? 537 PRO B CA 1 ATOM 2280 C C . PRO B 2 36 ? -35.158 24.822 -24.544 1.00 79.05 ? 537 PRO B C 1 ATOM 2281 O O . PRO B 2 36 ? -35.880 25.783 -24.267 1.00 67.56 ? 537 PRO B O 1 ATOM 2282 C CB . PRO B 2 36 ? -34.123 23.461 -22.700 1.00 73.46 ? 537 PRO B CB 1 ATOM 2283 C CG . PRO B 2 36 ? -34.479 24.258 -21.486 1.00 77.46 ? 537 PRO B CG 1 ATOM 2284 C CD . PRO B 2 36 ? -33.642 25.511 -21.562 1.00 70.47 ? 537 PRO B CD 1 ATOM 2285 N N . ALA B 2 37 ? -35.431 23.969 -25.526 1.00 75.13 ? 538 ALA B N 1 ATOM 2286 C CA . ALA B 2 37 ? -36.670 24.055 -26.278 1.00 79.08 ? 538 ALA B CA 1 ATOM 2287 C C . ALA B 2 37 ? -37.796 23.390 -25.490 1.00 79.91 ? 538 ALA B C 1 ATOM 2288 O O . ALA B 2 37 ? -37.602 22.893 -24.376 1.00 77.72 ? 538 ALA B O 1 ATOM 2289 C CB . ALA B 2 37 ? -36.504 23.423 -27.657 1.00 65.47 ? 538 ALA B CB 1 ATOM 2290 N N . ALA B 2 38 ? -38.992 23.372 -26.083 1.00 75.95 ? 539 ALA B N 1 ATOM 2291 C CA . ALA B 2 38 ? -40.162 22.848 -25.384 1.00 79.49 ? 539 ALA B CA 1 ATOM 2292 C C . ALA B 2 38 ? -39.986 21.387 -24.994 1.00 70.01 ? 539 ALA B C 1 ATOM 2293 O O . ALA B 2 38 ? -40.528 20.947 -23.974 1.00 73.07 ? 539 ALA B O 1 ATOM 2294 C CB . ALA B 2 38 ? -41.409 23.019 -26.252 1.00 65.91 ? 539 ALA B CB 1 ATOM 2295 N N . GLU B 2 39 ? -39.223 20.626 -25.778 1.00 70.47 ? 540 GLU B N 1 ATOM 2296 C CA . GLU B 2 39 ? -39.042 19.204 -25.525 1.00 70.08 ? 540 GLU B CA 1 ATOM 2297 C C . GLU B 2 39 ? -38.044 18.913 -24.412 1.00 70.35 ? 540 GLU B C 1 ATOM 2298 O O . GLU B 2 39 ? -37.962 17.764 -23.966 1.00 80.81 ? 540 GLU B O 1 ATOM 2299 C CB . GLU B 2 39 ? -38.590 18.491 -26.805 1.00 79.19 ? 540 GLU B CB 1 ATOM 2300 C CG . GLU B 2 39 ? -39.585 18.557 -27.959 1.00 113.88 ? 540 GLU B CG 1 ATOM 2301 C CD . GLU B 2 39 ? -39.553 19.888 -28.683 1.00 119.32 ? 540 GLU B CD 1 ATOM 2302 O OE1 . GLU B 2 39 ? -40.480 20.167 -29.472 1.00 125.20 ? 540 GLU B OE1 1 ATOM 2303 O OE2 . GLU B 2 39 ? -38.596 20.657 -28.455 1.00 118.02 ? 540 GLU B OE2 1 ATOM 2304 N N . GLY B 2 40 ? -37.292 19.909 -23.948 1.00 64.19 ? 541 GLY B N 1 ATOM 2305 C CA . GLY B 2 40 ? -36.228 19.643 -22.999 1.00 74.81 ? 541 GLY B CA 1 ATOM 2306 C C . GLY B 2 40 ? -36.358 20.325 -21.651 1.00 79.05 ? 541 GLY B C 1 ATOM 2307 O O . GLY B 2 40 ? -35.349 20.594 -20.993 1.00 69.37 ? 541 GLY B O 1 ATOM 2308 N N . ILE B 2 41 ? -37.588 20.596 -21.215 1.00 60.91 ? 542 ILE B N 1 ATOM 2309 C CA . ILE B 2 41 ? -37.821 21.274 -19.943 1.00 64.06 ? 542 ILE B CA 1 ATOM 2310 C C . ILE B 2 41 ? -38.214 20.299 -18.834 1.00 66.51 ? 542 ILE B C 1 ATOM 2311 O O . ILE B 2 41 ? -38.528 20.730 -17.722 1.00 72.73 ? 542 ILE B O 1 ATOM 2312 C CB . ILE B 2 41 ? -38.883 22.373 -20.087 1.00 56.83 ? 542 ILE B CB 1 ATOM 2313 C CG1 . ILE B 2 41 ? -40.256 21.750 -20.346 1.00 57.44 ? 542 ILE B CG1 1 ATOM 2314 C CG2 . ILE B 2 41 ? -38.508 23.342 -21.204 1.00 60.70 ? 542 ILE B CG2 1 ATOM 2315 C CD1 . ILE B 2 41 ? -41.387 22.753 -20.336 1.00 62.61 ? 542 ILE B CD1 1 ATOM 2316 N N . TYR B 2 42 ? -38.198 18.997 -19.103 1.00 59.85 ? 543 TYR B N 1 ATOM 2317 C CA . TYR B 2 42 ? -38.800 18.021 -18.208 1.00 64.45 ? 543 TYR B CA 1 ATOM 2318 C C . TYR B 2 42 ? -37.758 17.321 -17.345 1.00 65.07 ? 543 TYR B C 1 ATOM 2319 O O . TYR B 2 42 ? -36.612 17.116 -17.755 1.00 74.64 ? 543 TYR B O 1 ATOM 2320 C CB . TYR B 2 42 ? -39.585 16.975 -18.997 1.00 60.94 ? 543 TYR B CB 1 ATOM 2321 C CG . TYR B 2 42 ? -40.638 17.540 -19.923 1.00 67.79 ? 543 TYR B CG 1 ATOM 2322 C CD1 . TYR B 2 42 ? -41.875 17.944 -19.434 1.00 66.39 ? 543 TYR B CD1 1 ATOM 2323 C CD2 . TYR B 2 42 ? -40.404 17.649 -21.285 1.00 68.55 ? 543 TYR B CD2 1 ATOM 2324 C CE1 . TYR B 2 42 ? -42.842 18.450 -20.281 1.00 63.94 ? 543 TYR B CE1 1 ATOM 2325 C CE2 . TYR B 2 42 ? -41.363 18.154 -22.139 1.00 58.08 ? 543 TYR B CE2 1 ATOM 2326 C CZ . TYR B 2 42 ? -42.580 18.554 -21.635 1.00 67.74 ? 543 TYR B CZ 1 ATOM 2327 O OH . TYR B 2 42 ? -43.536 19.057 -22.488 1.00 62.58 ? 543 TYR B OH 1 ATOM 2328 N N . ILE B 2 43 ? -38.177 16.965 -16.134 1.00 70.90 ? 544 ILE B N 1 ATOM 2329 C CA . ILE B 2 43 ? -37.449 16.042 -15.281 1.00 76.37 ? 544 ILE B CA 1 ATOM 2330 C C . ILE B 2 43 ? -38.277 14.766 -15.148 1.00 79.15 ? 544 ILE B C 1 ATOM 2331 O O . ILE B 2 43 ? -39.465 14.731 -15.472 1.00 65.05 ? 544 ILE B O 1 ATOM 2332 C CB . ILE B 2 43 ? -37.138 16.647 -13.897 1.00 83.65 ? 544 ILE B CB 1 ATOM 2333 C CG1 . ILE B 2 43 ? -38.435 17.002 -13.162 1.00 82.67 ? 544 ILE B CG1 1 ATOM 2334 C CG2 . ILE B 2 43 ? -36.240 17.866 -14.037 1.00 78.69 ? 544 ILE B CG2 1 ATOM 2335 C CD1 . ILE B 2 43 ? -38.221 17.443 -11.724 1.00 85.17 ? 544 ILE B CD1 1 ATOM 2336 N N . GLU B 2 44 ? -37.639 13.709 -14.651 1.00 69.79 ? 545 GLU B N 1 ATOM 2337 C CA . GLU B 2 44 ? -38.297 12.421 -14.490 1.00 66.81 ? 545 GLU B CA 1 ATOM 2338 C C . GLU B 2 44 ? -38.117 11.914 -13.067 1.00 62.42 ? 545 GLU B C 1 ATOM 2339 O O . GLU B 2 44 ? -37.227 12.351 -12.332 1.00 77.75 ? 545 GLU B O 1 ATOM 2340 C CB . GLU B 2 44 ? -37.763 11.377 -15.481 1.00 63.61 ? 545 GLU B CB 1 ATOM 2341 C CG . GLU B 2 44 ? -36.327 10.957 -15.228 1.00 82.18 ? 545 GLU B CG 1 ATOM 2342 C CD . GLU B 2 44 ? -35.926 9.738 -16.038 1.00 95.26 ? 545 GLU B CD 1 ATOM 2343 O OE1 . GLU B 2 44 ? -36.587 8.685 -15.905 1.00 82.75 ? 545 GLU B OE1 1 ATOM 2344 O OE2 . GLU B 2 44 ? -34.951 9.835 -16.812 1.00 105.36 ? 545 GLU B OE2 1 ATOM 2345 N N . GLY B 2 45 ? -38.977 10.968 -12.692 1.00 60.81 ? 546 GLY B N 1 ATOM 2346 C CA . GLY B 2 45 ? -38.926 10.357 -11.377 1.00 59.98 ? 546 GLY B CA 1 ATOM 2347 C C . GLY B 2 45 ? -39.631 9.019 -11.381 1.00 67.89 ? 546 GLY B C 1 ATOM 2348 O O . GLY B 2 45 ? -40.307 8.648 -12.343 1.00 70.32 ? 546 GLY B O 1 ATOM 2349 N N . LEU B 2 46 ? -39.466 8.293 -10.277 1.00 69.21 ? 547 LEU B N 1 ATOM 2350 C CA . LEU B 2 46 ? -40.063 6.973 -10.126 1.00 76.23 ? 547 LEU B CA 1 ATOM 2351 C C . LEU B 2 46 ? -40.450 6.765 -8.671 1.00 77.71 ? 547 LEU B C 1 ATOM 2352 O O . LEU B 2 46 ? -39.625 6.969 -7.776 1.00 80.56 ? 547 LEU B O 1 ATOM 2353 C CB . LEU B 2 46 ? -39.095 5.874 -10.581 1.00 78.00 ? 547 LEU B CB 1 ATOM 2354 C CG . LEU B 2 46 ? -39.577 4.428 -10.449 1.00 82.25 ? 547 LEU B CG 1 ATOM 2355 C CD1 . LEU B 2 46 ? -40.736 4.170 -11.402 1.00 78.68 ? 547 LEU B CD1 1 ATOM 2356 C CD2 . LEU B 2 46 ? -38.439 3.450 -10.702 1.00 77.65 ? 547 LEU B CD2 1 ATOM 2357 N N . MET B 2 47 ? -41.700 6.368 -8.437 1.00 78.75 ? 548 MET B N 1 ATOM 2358 C CA . MET B 2 47 ? -42.166 6.028 -7.101 1.00 78.83 ? 548 MET B CA 1 ATOM 2359 C C . MET B 2 47 ? -42.876 4.683 -7.134 1.00 72.08 ? 548 MET B C 1 ATOM 2360 O O . MET B 2 47 ? -43.545 4.346 -8.115 1.00 76.30 ? 548 MET B O 1 ATOM 2361 C CB . MET B 2 47 ? -43.110 7.096 -6.525 1.00 89.82 ? 548 MET B CB 1 ATOM 2362 C CG . MET B 2 47 ? -43.399 6.887 -5.038 1.00 124.36 ? 548 MET B CG 1 ATOM 2363 S SD . MET B 2 47 ? -44.869 7.725 -4.417 1.00 139.33 ? 548 MET B SD 1 ATOM 2364 C CE . MET B 2 47 ? -44.218 9.356 -4.075 1.00 140.65 ? 548 MET B CE 1 ATOM 2365 N N . HIS B 2 48 ? -42.730 3.922 -6.052 1.00 73.35 ? 549 HIS B N 1 ATOM 2366 C CA . HIS B 2 48 ? -43.310 2.596 -5.937 1.00 74.83 ? 549 HIS B CA 1 ATOM 2367 C C . HIS B 2 48 ? -44.563 2.645 -5.063 1.00 78.96 ? 549 HIS B C 1 ATOM 2368 O O . HIS B 2 48 ? -44.932 3.685 -4.511 1.00 80.27 ? 549 HIS B O 1 ATOM 2369 C CB . HIS B 2 48 ? -42.267 1.616 -5.397 1.00 76.32 ? 549 HIS B CB 1 ATOM 2370 C CG . HIS B 2 48 ? -41.001 1.593 -6.198 1.00 95.69 ? 549 HIS B CG 1 ATOM 2371 N ND1 . HIS B 2 48 ? -40.906 0.966 -7.422 1.00 97.15 ? 549 HIS B ND1 1 ATOM 2372 C CD2 . HIS B 2 48 ? -39.783 2.133 -5.957 1.00 99.58 ? 549 HIS B CD2 1 ATOM 2373 C CE1 . HIS B 2 48 ? -39.682 1.115 -7.897 1.00 95.18 ? 549 HIS B CE1 1 ATOM 2374 N NE2 . HIS B 2 48 ? -38.981 1.819 -7.028 1.00 100.78 ? 549 HIS B NE2 1 ATOM 2375 N N . ASN B 2 49 ? -45.222 1.494 -4.933 1.00 73.44 ? 550 ASN B N 1 ATOM 2376 C CA . ASN B 2 49 ? -46.556 1.412 -4.338 1.00 69.74 ? 550 ASN B CA 1 ATOM 2377 C C . ASN B 2 49 ? -46.542 1.339 -2.813 1.00 73.33 ? 550 ASN B C 1 ATOM 2378 O O . ASN B 2 49 ? -47.282 0.550 -2.220 1.00 76.55 ? 550 ASN B O 1 ATOM 2379 C CB . ASN B 2 49 ? -47.285 0.208 -4.932 1.00 67.13 ? 550 ASN B CB 1 ATOM 2380 C CG . ASN B 2 49 ? -48.791 0.300 -4.778 1.00 76.27 ? 550 ASN B CG 1 ATOM 2381 O OD1 . ASN B 2 49 ? -49.372 1.381 -4.879 1.00 73.47 ? 550 ASN B OD1 1 ATOM 2382 N ND2 . ASN B 2 49 ? -49.430 -0.838 -4.521 1.00 68.77 ? 550 ASN B ND2 1 ATOM 2383 N N . GLN B 2 50 ? -45.717 2.150 -2.153 1.00 74.20 ? 551 GLN B N 1 ATOM 2384 C CA . GLN B 2 50 ? -45.727 2.189 -0.697 1.00 77.37 ? 551 GLN B CA 1 ATOM 2385 C C . GLN B 2 50 ? -47.065 2.719 -0.197 1.00 76.05 ? 551 GLN B C 1 ATOM 2386 O O . GLN B 2 50 ? -47.628 3.659 -0.764 1.00 69.02 ? 551 GLN B O 1 ATOM 2387 C CB . GLN B 2 50 ? -44.580 3.062 -0.185 1.00 87.57 ? 551 GLN B CB 1 ATOM 2388 C CG . GLN B 2 50 ? -43.204 2.546 -0.570 1.00 126.05 ? 551 GLN B CG 1 ATOM 2389 C CD . GLN B 2 50 ? -42.326 3.617 -1.188 1.00 138.66 ? 551 GLN B CD 1 ATOM 2390 O OE1 . GLN B 2 50 ? -42.701 4.789 -1.245 1.00 151.82 ? 551 GLN B OE1 1 ATOM 2391 N NE2 . GLN B 2 50 ? -41.149 3.218 -1.658 1.00 129.41 ? 551 GLN B NE2 1 ATOM 2392 N N . ASP B 2 51 ? -47.582 2.093 0.863 1.00 72.69 ? 552 ASP B N 1 ATOM 2393 C CA . ASP B 2 51 ? -48.900 2.394 1.429 1.00 75.78 ? 552 ASP B CA 1 ATOM 2394 C C . ASP B 2 51 ? -50.018 2.299 0.395 1.00 79.38 ? 552 ASP B C 1 ATOM 2395 O O . ASP B 2 51 ? -51.092 2.877 0.586 1.00 72.50 ? 552 ASP B O 1 ATOM 2396 C CB . ASP B 2 51 ? -48.931 3.775 2.098 1.00 75.49 ? 552 ASP B CB 1 ATOM 2397 C CG . ASP B 2 51 ? -48.011 3.865 3.300 1.00 87.72 ? 552 ASP B CG 1 ATOM 2398 O OD1 . ASP B 2 51 ? -47.240 4.843 3.384 1.00 85.55 ? 552 ASP B OD1 1 ATOM 2399 O OD2 . ASP B 2 51 ? -48.048 2.951 4.152 1.00 81.72 ? 552 ASP B OD2 1 ATOM 2400 N N . GLY B 2 52 ? -49.779 1.586 -0.704 1.00 75.04 ? 553 GLY B N 1 ATOM 2401 C CA . GLY B 2 52 ? -50.783 1.432 -1.742 1.00 65.39 ? 553 GLY B CA 1 ATOM 2402 C C . GLY B 2 52 ? -51.172 2.718 -2.426 1.00 71.48 ? 553 GLY B C 1 ATOM 2403 O O . GLY B 2 52 ? -52.273 2.812 -2.974 1.00 75.09 ? 553 GLY B O 1 ATOM 2404 N N . LEU B 2 53 ? -50.289 3.718 -2.417 1.00 63.62 ? 554 LEU B N 1 ATOM 2405 C CA . LEU B 2 53 ? -50.666 5.042 -2.898 1.00 65.08 ? 554 LEU B CA 1 ATOM 2406 C C . LEU B 2 53 ? -50.819 5.083 -4.413 1.00 64.36 ? 554 LEU B C 1 ATOM 2407 O O . LEU B 2 53 ? -51.653 5.837 -4.927 1.00 61.54 ? 554 LEU B O 1 ATOM 2408 C CB . LEU B 2 53 ? -49.636 6.074 -2.438 1.00 66.40 ? 554 LEU B CB 1 ATOM 2409 C CG . LEU B 2 53 ? -49.487 6.253 -0.923 1.00 86.11 ? 554 LEU B CG 1 ATOM 2410 C CD1 . LEU B 2 53 ? -48.321 7.174 -0.608 1.00 85.40 ? 554 LEU B CD1 1 ATOM 2411 C CD2 . LEU B 2 53 ? -50.777 6.782 -0.304 1.00 89.01 ? 554 LEU B CD2 1 ATOM 2412 N N . ILE B 2 54 ? -50.039 4.285 -5.145 1.00 57.77 ? 555 ILE B N 1 ATOM 2413 C CA . ILE B 2 54 ? -50.098 4.337 -6.603 1.00 63.74 ? 555 ILE B CA 1 ATOM 2414 C C . ILE B 2 54 ? -51.418 3.766 -7.109 1.00 73.51 ? 555 ILE B C 1 ATOM 2415 O O . ILE B 2 54 ? -52.108 4.390 -7.923 1.00 64.20 ? 555 ILE B O 1 ATOM 2416 C CB . ILE B 2 54 ? -48.891 3.612 -7.223 1.00 69.94 ? 555 ILE B CB 1 ATOM 2417 C CG1 . ILE B 2 54 ? -47.585 4.283 -6.789 1.00 67.62 ? 555 ILE B CG1 1 ATOM 2418 C CG2 . ILE B 2 54 ? -49.005 3.603 -8.743 1.00 71.31 ? 555 ILE B CG2 1 ATOM 2419 C CD1 . ILE B 2 54 ? -47.534 5.767 -7.106 1.00 66.00 ? 555 ILE B CD1 1 ATOM 2420 N N . CYS B 2 55 ? -51.793 2.569 -6.643 1.00 61.64 ? 556 CYS B N 1 ATOM 2421 C CA . CYS B 2 55 ? -53.063 1.996 -7.079 1.00 70.82 ? 556 CYS B CA 1 ATOM 2422 C C . CYS B 2 55 ? -54.246 2.798 -6.554 1.00 77.44 ? 556 CYS B C 1 ATOM 2423 O O . CYS B 2 55 ? -55.283 2.878 -7.223 1.00 68.63 ? 556 CYS B O 1 ATOM 2424 C CB . CYS B 2 55 ? -53.181 0.534 -6.646 1.00 67.56 ? 556 CYS B CB 1 ATOM 2425 S SG . CYS B 2 55 ? -51.992 -0.600 -7.420 1.00 99.17 ? 556 CYS B SG 1 ATOM 2426 N N . GLY B 2 56 ? -54.116 3.395 -5.369 1.00 66.62 ? 557 GLY B N 1 ATOM 2427 C CA . GLY B 2 56 ? -55.150 4.301 -4.901 1.00 62.98 ? 557 GLY B CA 1 ATOM 2428 C C . GLY B 2 56 ? -55.273 5.532 -5.777 1.00 69.31 ? 557 GLY B C 1 ATOM 2429 O O . GLY B 2 56 ? -56.378 6.011 -6.042 1.00 67.29 ? 557 GLY B O 1 ATOM 2430 N N . LEU B 2 57 ? -54.137 6.051 -6.254 1.00 63.64 ? 558 LEU B N 1 ATOM 2431 C CA . LEU B 2 57 ? -54.147 7.249 -7.087 1.00 61.20 ? 558 LEU B CA 1 ATOM 2432 C C . LEU B 2 57 ? -54.810 6.983 -8.432 1.00 66.28 ? 558 LEU B C 1 ATOM 2433 O O . LEU B 2 57 ? -55.527 7.844 -8.958 1.00 61.90 ? 558 LEU B O 1 ATOM 2434 C CB . LEU B 2 57 ? -52.719 7.758 -7.280 1.00 66.18 ? 558 LEU B CB 1 ATOM 2435 C CG . LEU B 2 57 ? -52.490 9.099 -7.981 1.00 76.05 ? 558 LEU B CG 1 ATOM 2436 C CD1 . LEU B 2 57 ? -53.219 10.218 -7.251 1.00 72.34 ? 558 LEU B CD1 1 ATOM 2437 C CD2 . LEU B 2 57 ? -51.002 9.398 -8.055 1.00 83.80 ? 558 LEU B CD2 1 ATOM 2438 N N . ARG B 2 58 ? -54.578 5.801 -9.009 1.00 58.65 ? 559 ARG B N 1 ATOM 2439 C CA . ARG B 2 58 ? -55.225 5.455 -10.270 1.00 74.19 ? 559 ARG B CA 1 ATOM 2440 C C . ARG B 2 58 ? -56.736 5.398 -10.110 1.00 75.64 ? 559 ARG B C 1 ATOM 2441 O O . ARG B 2 58 ? -57.481 5.827 -10.999 1.00 57.83 ? 559 ARG B O 1 ATOM 2442 C CB . ARG B 2 58 ? -54.689 4.119 -10.788 1.00 61.84 ? 559 ARG B CB 1 ATOM 2443 C CG . ARG B 2 58 ? -53.189 4.103 -11.058 1.00 55.10 ? 559 ARG B CG 1 ATOM 2444 C CD . ARG B 2 58 ? -52.780 2.867 -11.851 1.00 62.85 ? 559 ARG B CD 1 ATOM 2445 N NE . ARG B 2 58 ? -51.333 2.794 -12.042 1.00 66.77 ? 559 ARG B NE 1 ATOM 2446 C CZ . ARG B 2 58 ? -50.651 3.547 -12.897 1.00 72.57 ? 559 ARG B CZ 1 ATOM 2447 N NH1 . ARG B 2 58 ? -49.336 3.409 -13.004 1.00 62.77 ? 559 ARG B NH1 1 ATOM 2448 N NH2 . ARG B 2 58 ? -51.285 4.442 -13.641 1.00 59.78 ? 559 ARG B NH2 1 ATOM 2449 N N . GLN B 2 59 ? -57.208 4.873 -8.980 1.00 63.26 ? 560 GLN B N 1 ATOM 2450 C CA . GLN B 2 59 ? -58.643 4.818 -8.741 1.00 68.37 ? 560 GLN B CA 1 ATOM 2451 C C . GLN B 2 59 ? -59.205 6.204 -8.453 1.00 64.54 ? 560 GLN B C 1 ATOM 2452 O O . GLN B 2 59 ? -60.339 6.514 -8.837 1.00 71.49 ? 560 GLN B O 1 ATOM 2453 C CB . GLN B 2 59 ? -58.940 3.860 -7.592 1.00 66.48 ? 560 GLN B CB 1 ATOM 2454 C CG . GLN B 2 59 ? -60.410 3.740 -7.257 1.00 62.71 ? 560 GLN B CG 1 ATOM 2455 C CD . GLN B 2 59 ? -61.195 2.988 -8.314 1.00 88.06 ? 560 GLN B CD 1 ATOM 2456 O OE1 . GLN B 2 59 ? -60.639 2.198 -9.077 1.00 77.60 ? 560 GLN B OE1 1 ATOM 2457 N NE2 . GLN B 2 59 ? -62.500 3.227 -8.358 1.00 67.88 ? 560 GLN B NE2 1 ATOM 2458 N N . LEU B 2 60 ? -58.423 7.054 -7.783 1.00 64.88 ? 561 LEU B N 1 ATOM 2459 C CA . LEU B 2 60 ? -58.888 8.402 -7.468 1.00 66.40 ? 561 LEU B CA 1 ATOM 2460 C C . LEU B 2 60 ? -59.126 9.214 -8.734 1.00 59.63 ? 561 LEU B C 1 ATOM 2461 O O . LEU B 2 60 ? -60.164 9.867 -8.882 1.00 56.25 ? 561 LEU B O 1 ATOM 2462 C CB . LEU B 2 60 ? -57.878 9.104 -6.562 1.00 52.17 ? 561 LEU B CB 1 ATOM 2463 C CG . LEU B 2 60 ? -58.098 10.603 -6.342 1.00 61.91 ? 561 LEU B CG 1 ATOM 2464 C CD1 . LEU B 2 60 ? -59.392 10.872 -5.574 1.00 56.45 ? 561 LEU B CD1 1 ATOM 2465 C CD2 . LEU B 2 60 ? -56.909 11.211 -5.609 1.00 57.94 ? 561 LEU B CD2 1 ATOM 2466 N N . ALA B 2 61 ? -58.161 9.191 -9.659 1.00 58.26 ? 562 ALA B N 1 ATOM 2467 C CA . ALA B 2 61 ? -58.322 9.899 -10.923 1.00 69.17 ? 562 ALA B CA 1 ATOM 2468 C C . ALA B 2 61 ? -59.541 9.395 -11.685 1.00 69.97 ? 562 ALA B C 1 ATOM 2469 O O . ALA B 2 61 ? -60.299 10.190 -12.255 1.00 61.08 ? 562 ALA B O 1 ATOM 2470 C CB . ALA B 2 61 ? -57.058 9.751 -11.768 1.00 56.32 ? 562 ALA B CB 1 ATOM 2471 N N . ASN B 2 62 ? -59.744 8.075 -11.707 1.00 57.95 ? 563 ASN B N 1 ATOM 2472 C CA . ASN B 2 62 ? -60.923 7.501 -12.349 1.00 63.38 ? 563 ASN B CA 1 ATOM 2473 C C . ASN B 2 62 ? -62.204 8.047 -11.731 1.00 69.14 ? 563 ASN B C 1 ATOM 2474 O O . ASN B 2 62 ? -63.123 8.462 -12.443 1.00 60.78 ? 563 ASN B O 1 ATOM 2475 C CB . ASN B 2 62 ? -60.865 5.973 -12.246 1.00 60.94 ? 563 ASN B CB 1 ATOM 2476 C CG . ASN B 2 62 ? -62.175 5.284 -12.631 1.00 69.03 ? 563 ASN B CG 1 ATOM 2477 O OD1 . ASN B 2 62 ? -63.102 5.198 -11.825 1.00 67.31 ? 563 ASN B OD1 1 ATOM 2478 N ND2 . ASN B 2 62 ? -62.241 4.769 -13.862 1.00 68.01 ? 563 ASN B ND2 1 ATOM 2479 N N . GLU B 2 63 ? -62.274 8.073 -10.399 1.00 64.22 ? 564 GLU B N 1 ATOM 2480 C CA . GLU B 2 63 ? -63.495 8.506 -9.729 1.00 65.76 ? 564 GLU B CA 1 ATOM 2481 C C . GLU B 2 63 ? -63.695 10.015 -9.792 1.00 66.40 ? 564 GLU B C 1 ATOM 2482 O O . GLU B 2 63 ? -64.806 10.490 -9.546 1.00 69.82 ? 564 GLU B O 1 ATOM 2483 C CB . GLU B 2 63 ? -63.492 8.049 -8.273 1.00 63.94 ? 564 GLU B CB 1 ATOM 2484 C CG . GLU B 2 63 ? -63.539 6.542 -8.076 1.00 78.08 ? 564 GLU B CG 1 ATOM 2485 C CD . GLU B 2 63 ? -63.643 6.164 -6.614 1.00 84.23 ? 564 GLU B CD 1 ATOM 2486 O OE1 . GLU B 2 63 ? -63.675 7.086 -5.772 1.00 94.93 ? 564 GLU B OE1 1 ATOM 2487 O OE2 . GLU B 2 63 ? -63.694 4.955 -6.304 1.00 93.95 ? 564 GLU B OE2 1 ATOM 2488 N N . THR B 2 64 ? -62.644 10.776 -10.097 1.00 69.30 ? 565 THR B N 1 ATOM 2489 C CA . THR B 2 64 ? -62.753 12.228 -10.184 1.00 73.01 ? 565 THR B CA 1 ATOM 2490 C C . THR B 2 64 ? -63.464 12.671 -11.457 1.00 65.39 ? 565 THR B C 1 ATOM 2491 O O . THR B 2 64 ? -64.000 13.786 -11.506 1.00 52.36 ? 565 THR B O 1 ATOM 2492 C CB . THR B 2 64 ? -61.352 12.841 -10.097 1.00 72.34 ? 565 THR B CB 1 ATOM 2493 O OG1 . THR B 2 64 ? -60.788 12.559 -8.812 1.00 64.00 ? 565 THR B OG1 1 ATOM 2494 C CG2 . THR B 2 64 ? -61.372 14.353 -10.305 1.00 62.83 ? 565 THR B CG2 1 ATOM 2495 N N . THR B 2 65 ? -63.529 11.795 -12.460 1.00 60.68 ? 566 THR B N 1 ATOM 2496 C CA . THR B 2 65 ? -63.873 12.216 -13.814 1.00 58.69 ? 566 THR B CA 1 ATOM 2497 C C . THR B 2 65 ? -65.290 12.774 -13.910 1.00 61.49 ? 566 THR B C 1 ATOM 2498 O O . THR B 2 65 ? -65.511 13.782 -14.591 1.00 58.64 ? 566 THR B O 1 ATOM 2499 C CB . THR B 2 65 ? -63.690 11.046 -14.775 1.00 65.87 ? 566 THR B CB 1 ATOM 2500 O OG1 . THR B 2 65 ? -62.375 10.500 -14.609 1.00 57.31 ? 566 THR B OG1 1 ATOM 2501 C CG2 . THR B 2 65 ? -63.848 11.523 -16.200 1.00 54.01 ? 566 THR B CG2 1 ATOM 2502 N N . GLN B 2 66 ? -66.264 12.140 -13.253 1.00 60.43 ? 567 GLN B N 1 ATOM 2503 C CA . GLN B 2 66 ? -67.649 12.578 -13.411 1.00 67.69 ? 567 GLN B CA 1 ATOM 2504 C C . GLN B 2 66 ? -67.834 14.011 -12.929 1.00 60.26 ? 567 GLN B C 1 ATOM 2505 O O . GLN B 2 66 ? -68.364 14.858 -13.656 1.00 63.48 ? 567 GLN B O 1 ATOM 2506 C CB . GLN B 2 66 ? -68.599 11.636 -12.671 1.00 63.82 ? 567 GLN B CB 1 ATOM 2507 C CG . GLN B 2 66 ? -70.057 12.092 -12.706 1.00 70.27 ? 567 GLN B CG 1 ATOM 2508 C CD . GLN B 2 66 ? -71.010 11.076 -12.106 1.00 81.74 ? 567 GLN B CD 1 ATOM 2509 O OE1 . GLN B 2 66 ? -70.732 9.878 -12.095 1.00 95.72 ? 567 GLN B OE1 1 ATOM 2510 N NE2 . GLN B 2 66 ? -72.141 11.552 -11.597 1.00 81.99 ? 567 GLN B NE2 1 ATOM 2511 N N . ALA B 2 67 ? -67.393 14.303 -11.702 1.00 65.53 ? 568 ALA B N 1 ATOM 2512 C CA . ALA B 2 67 ? -67.547 15.649 -11.158 1.00 67.21 ? 568 ALA B CA 1 ATOM 2513 C C . ALA B 2 67 ? -66.740 16.666 -11.958 1.00 63.44 ? 568 ALA B C 1 ATOM 2514 O O . ALA B 2 67 ? -67.191 17.800 -12.163 1.00 57.74 ? 568 ALA B O 1 ATOM 2515 C CB . ALA B 2 67 ? -67.137 15.672 -9.687 1.00 61.45 ? 568 ALA B CB 1 ATOM 2516 N N . LEU B 2 68 ? -65.549 16.277 -12.424 1.00 62.28 ? 569 LEU B N 1 ATOM 2517 C CA . LEU B 2 68 ? -64.733 17.190 -13.217 1.00 64.60 ? 569 LEU B CA 1 ATOM 2518 C C . LEU B 2 68 ? -65.388 17.491 -14.560 1.00 64.57 ? 569 LEU B C 1 ATOM 2519 O O . LEU B 2 68 ? -65.392 18.641 -15.012 1.00 57.37 ? 569 LEU B O 1 ATOM 2520 C CB . LEU B 2 68 ? -63.332 16.612 -13.420 1.00 55.62 ? 569 LEU B CB 1 ATOM 2521 C CG . LEU B 2 68 ? -62.377 17.459 -14.267 1.00 63.49 ? 569 LEU B CG 1 ATOM 2522 C CD1 . LEU B 2 68 ? -62.189 18.851 -13.666 1.00 56.28 ? 569 LEU B CD1 1 ATOM 2523 C CD2 . LEU B 2 68 ? -61.036 16.754 -14.416 1.00 47.56 ? 569 LEU B CD2 1 ATOM 2524 N N . GLN B 2 69 ? -65.953 16.469 -15.212 1.00 55.68 ? 570 GLN B N 1 ATOM 2525 C CA . GLN B 2 69 ? -66.620 16.687 -16.491 1.00 60.27 ? 570 GLN B CA 1 ATOM 2526 C C . GLN B 2 69 ? -67.876 17.540 -16.338 1.00 62.06 ? 570 GLN B C 1 ATOM 2527 O O . GLN B 2 69 ? -68.174 18.357 -17.218 1.00 55.02 ? 570 GLN B O 1 ATOM 2528 C CB . GLN B 2 69 ? -66.962 15.342 -17.141 1.00 61.44 ? 570 GLN B CB 1 ATOM 2529 C CG . GLN B 2 69 ? -65.765 14.551 -17.662 1.00 66.48 ? 570 GLN B CG 1 ATOM 2530 C CD . GLN B 2 69 ? -65.364 14.949 -19.073 1.00 74.64 ? 570 GLN B CD 1 ATOM 2531 O OE1 . GLN B 2 69 ? -65.607 16.075 -19.509 1.00 59.09 ? 570 GLN B OE1 1 ATOM 2532 N NE2 . GLN B 2 69 ? -64.754 14.018 -19.797 1.00 62.21 ? 570 GLN B NE2 1 ATOM 2533 N N . LEU B 2 70 ? -68.621 17.376 -15.238 1.00 61.43 ? 571 LEU B N 1 ATOM 2534 C CA . LEU B 2 70 ? -69.792 18.221 -15.017 1.00 61.56 ? 571 LEU B CA 1 ATOM 2535 C C . LEU B 2 70 ? -69.400 19.664 -14.733 1.00 61.64 ? 571 LEU B C 1 ATOM 2536 O O . LEU B 2 70 ? -70.132 20.584 -15.107 1.00 63.01 ? 571 LEU B O 1 ATOM 2537 C CB . LEU B 2 70 ? -70.636 17.668 -13.864 1.00 54.32 ? 571 LEU B CB 1 ATOM 2538 C CG . LEU B 2 70 ? -71.361 16.343 -14.112 1.00 66.41 ? 571 LEU B CG 1 ATOM 2539 C CD1 . LEU B 2 70 ? -72.085 15.882 -12.856 1.00 58.80 ? 571 LEU B CD1 1 ATOM 2540 C CD2 . LEU B 2 70 ? -72.334 16.470 -15.275 1.00 57.55 ? 571 LEU B CD2 1 ATOM 2541 N N . PHE B 2 71 ? -68.266 19.878 -14.063 1.00 60.28 ? 572 PHE B N 1 ATOM 2542 C CA . PHE B 2 71 ? -67.762 21.233 -13.874 1.00 63.56 ? 572 PHE B CA 1 ATOM 2543 C C . PHE B 2 71 ? -67.381 21.866 -15.206 1.00 61.48 ? 572 PHE B C 1 ATOM 2544 O O . PHE B 2 71 ? -67.700 23.034 -15.457 1.00 61.55 ? 572 PHE B O 1 ATOM 2545 C CB . PHE B 2 71 ? -66.565 21.213 -12.920 1.00 56.84 ? 572 PHE B CB 1 ATOM 2546 C CG . PHE B 2 71 ? -65.826 22.524 -12.835 1.00 59.54 ? 572 PHE B CG 1 ATOM 2547 C CD1 . PHE B 2 71 ? -66.198 23.485 -11.909 1.00 65.29 ? 572 PHE B CD1 1 ATOM 2548 C CD2 . PHE B 2 71 ? -64.752 22.794 -13.675 1.00 56.58 ? 572 PHE B CD2 1 ATOM 2549 C CE1 . PHE B 2 71 ? -65.524 24.688 -11.825 1.00 74.52 ? 572 PHE B CE1 1 ATOM 2550 C CE2 . PHE B 2 71 ? -64.076 23.997 -13.597 1.00 66.15 ? 572 PHE B CE2 1 ATOM 2551 C CZ . PHE B 2 71 ? -64.463 24.945 -12.670 1.00 66.58 ? 572 PHE B CZ 1 ATOM 2552 N N . LEU B 2 72 ? -66.693 21.114 -16.070 1.00 59.97 ? 573 LEU B N 1 ATOM 2553 C CA . LEU B 2 72 ? -66.299 21.645 -17.370 1.00 62.65 ? 573 LEU B CA 1 ATOM 2554 C C . LEU B 2 72 ? -67.507 21.927 -18.254 1.00 60.05 ? 573 LEU B C 1 ATOM 2555 O O . LEU B 2 72 ? -67.482 22.876 -19.043 1.00 62.26 ? 573 LEU B O 1 ATOM 2556 C CB . LEU B 2 72 ? -65.343 20.674 -18.063 1.00 51.54 ? 573 LEU B CB 1 ATOM 2557 C CG . LEU B 2 72 ? -63.977 20.520 -17.388 1.00 60.73 ? 573 LEU B CG 1 ATOM 2558 C CD1 . LEU B 2 72 ? -63.135 19.470 -18.103 1.00 52.10 ? 573 LEU B CD1 1 ATOM 2559 C CD2 . LEU B 2 72 ? -63.247 21.858 -17.358 1.00 49.02 ? 573 LEU B CD2 1 ATOM 2560 N N . ARG B 2 73 ? -68.565 21.119 -18.139 1.00 55.48 ? 574 ARG B N 1 ATOM 2561 C CA . ARG B 2 73 ? -69.777 21.375 -18.910 1.00 65.37 ? 574 ARG B CA 1 ATOM 2562 C C . ARG B 2 73 ? -70.400 22.716 -18.547 1.00 69.50 ? 574 ARG B C 1 ATOM 2563 O O . ARG B 2 73 ? -70.963 23.393 -19.414 1.00 60.71 ? 574 ARG B O 1 ATOM 2564 C CB . ARG B 2 73 ? -70.786 20.248 -18.691 1.00 57.23 ? 574 ARG B CB 1 ATOM 2565 C CG . ARG B 2 73 ? -72.165 20.503 -19.293 1.00 62.69 ? 574 ARG B CG 1 ATOM 2566 C CD . ARG B 2 73 ? -73.144 19.402 -18.912 1.00 59.18 ? 574 ARG B CD 1 ATOM 2567 N NE . ARG B 2 73 ? -72.775 18.121 -19.505 1.00 78.85 ? 574 ARG B NE 1 ATOM 2568 C CZ . ARG B 2 73 ? -73.388 16.973 -19.241 1.00 85.42 ? 574 ARG B CZ 1 ATOM 2569 N NH1 . ARG B 2 73 ? -74.400 16.942 -18.386 1.00 79.79 ? 574 ARG B NH1 1 ATOM 2570 N NH2 . ARG B 2 73 ? -72.986 15.854 -19.831 1.00 75.52 ? 574 ARG B NH2 1 ATOM 2571 N N . ALA B 2 74 ? -70.300 23.122 -17.283 1.00 56.03 ? 575 ALA B N 1 ATOM 2572 C CA . ALA B 2 74 ? -71.002 24.299 -16.793 1.00 59.24 ? 575 ALA B CA 1 ATOM 2573 C C . ALA B 2 74 ? -70.182 25.581 -16.882 1.00 57.93 ? 575 ALA B C 1 ATOM 2574 O O . ALA B 2 74 ? -70.753 26.669 -16.748 1.00 59.52 ? 575 ALA B O 1 ATOM 2575 C CB . ALA B 2 74 ? -71.450 24.082 -15.345 1.00 54.99 ? 575 ALA B CB 1 ATOM 2576 N N . THR B 2 75 ? -68.872 25.495 -17.093 1.00 51.39 ? 576 THR B N 1 ATOM 2577 C CA . THR B 2 75 ? -68.050 26.691 -17.201 1.00 59.57 ? 576 THR B CA 1 ATOM 2578 C C . THR B 2 75 ? -68.012 27.178 -18.644 1.00 63.12 ? 576 THR B C 1 ATOM 2579 O O . THR B 2 75 ? -68.158 26.398 -19.590 1.00 56.36 ? 576 THR B O 1 ATOM 2580 C CB . THR B 2 75 ? -66.625 26.433 -16.697 1.00 62.33 ? 576 THR B CB 1 ATOM 2581 O OG1 . THR B 2 75 ? -65.902 27.668 -16.632 1.00 51.38 ? 576 THR B OG1 1 ATOM 2582 C CG2 . THR B 2 75 ? -65.883 25.477 -17.629 1.00 54.79 ? 576 THR B CG2 1 ATOM 2583 N N . THR B 2 76 ? -67.837 28.489 -18.806 1.00 55.75 ? 577 THR B N 1 ATOM 2584 C CA . THR B 2 76 ? -67.675 29.092 -20.123 1.00 51.26 ? 577 THR B CA 1 ATOM 2585 C C . THR B 2 76 ? -66.221 29.419 -20.439 1.00 59.89 ? 577 THR B C 1 ATOM 2586 O O . THR B 2 76 ? -65.927 29.860 -21.553 1.00 60.97 ? 577 THR B O 1 ATOM 2587 C CB . THR B 2 76 ? -68.536 30.355 -20.247 1.00 62.40 ? 577 THR B CB 1 ATOM 2588 O OG1 . THR B 2 76 ? -68.291 31.226 -19.134 1.00 62.24 ? 577 THR B OG1 1 ATOM 2589 C CG2 . THR B 2 76 ? -70.014 29.988 -20.288 1.00 65.79 ? 577 THR B CG2 1 ATOM 2590 N N . GLU B 2 77 ? -65.312 29.219 -19.487 1.00 55.04 ? 578 GLU B N 1 ATOM 2591 C CA . GLU B 2 77 ? -63.891 29.345 -19.776 1.00 65.42 ? 578 GLU B CA 1 ATOM 2592 C C . GLU B 2 77 ? -63.469 28.271 -20.766 1.00 47.50 ? 578 GLU B C 1 ATOM 2593 O O . GLU B 2 77 ? -63.836 27.101 -20.632 1.00 54.70 ? 578 GLU B O 1 ATOM 2594 C CB . GLU B 2 77 ? -63.062 29.218 -18.499 1.00 54.13 ? 578 GLU B CB 1 ATOM 2595 C CG . GLU B 2 77 ? -62.917 30.487 -17.685 1.00 85.56 ? 578 GLU B CG 1 ATOM 2596 C CD . GLU B 2 77 ? -61.757 30.408 -16.712 1.00 73.37 ? 578 GLU B CD 1 ATOM 2597 O OE1 . GLU B 2 77 ? -60.665 30.917 -17.037 1.00 80.71 ? 578 GLU B OE1 1 ATOM 2598 O OE2 . GLU B 2 77 ? -61.934 29.812 -15.631 1.00 75.53 ? 578 GLU B OE2 1 ATOM 2599 N N . LEU B 2 78 ? -62.687 28.671 -21.768 1.00 49.54 ? 579 LEU B N 1 ATOM 2600 C CA . LEU B 2 78 ? -62.180 27.690 -22.721 1.00 48.43 ? 579 LEU B CA 1 ATOM 2601 C C . LEU B 2 78 ? -61.107 26.809 -22.089 1.00 50.70 ? 579 LEU B C 1 ATOM 2602 O O . LEU B 2 78 ? -61.086 25.594 -22.311 1.00 53.97 ? 579 LEU B O 1 ATOM 2603 C CB . LEU B 2 78 ? -61.652 28.395 -23.969 1.00 54.54 ? 579 LEU B CB 1 ATOM 2604 C CG . LEU B 2 78 ? -62.656 29.328 -24.657 1.00 66.75 ? 579 LEU B CG 1 ATOM 2605 C CD1 . LEU B 2 78 ? -62.031 30.003 -25.868 1.00 59.86 ? 579 LEU B CD1 1 ATOM 2606 C CD2 . LEU B 2 78 ? -63.923 28.575 -25.062 1.00 68.03 ? 579 LEU B CD2 1 ATOM 2607 N N . ARG B 2 79 ? -60.216 27.396 -21.291 1.00 49.47 ? 580 ARG B N 1 ATOM 2608 C CA . ARG B 2 79 ? -59.166 26.655 -20.603 1.00 51.11 ? 580 ARG B CA 1 ATOM 2609 C C . ARG B 2 79 ? -59.185 27.014 -19.125 1.00 51.29 ? 580 ARG B C 1 ATOM 2610 O O . ARG B 2 79 ? -59.109 28.195 -18.771 1.00 52.59 ? 580 ARG B O 1 ATOM 2611 C CB . ARG B 2 79 ? -57.794 26.954 -21.214 1.00 53.10 ? 580 ARG B CB 1 ATOM 2612 C CG . ARG B 2 79 ? -57.756 26.885 -22.743 1.00 60.82 ? 580 ARG B CG 1 ATOM 2613 C CD . ARG B 2 79 ? -56.337 26.990 -23.292 1.00 56.91 ? 580 ARG B CD 1 ATOM 2614 N NE . ARG B 2 79 ? -56.336 27.096 -24.752 1.00 69.88 ? 580 ARG B NE 1 ATOM 2615 C CZ . ARG B 2 79 ? -55.242 27.156 -25.502 1.00 55.24 ? 580 ARG B CZ 1 ATOM 2616 N NH1 . ARG B 2 79 ? -54.044 27.120 -24.936 1.00 54.49 ? 580 ARG B NH1 1 ATOM 2617 N NH2 . ARG B 2 79 ? -55.351 27.256 -26.820 1.00 52.95 ? 580 ARG B NH2 1 ATOM 2618 N N . THR B 2 80 ? -59.252 25.997 -18.265 1.00 55.84 ? 581 THR B N 1 ATOM 2619 C CA . THR B 2 80 ? -59.466 26.182 -16.833 1.00 54.12 ? 581 THR B CA 1 ATOM 2620 C C . THR B 2 80 ? -58.163 25.940 -16.082 1.00 52.66 ? 581 THR B C 1 ATOM 2621 O O . THR B 2 80 ? -57.633 24.826 -16.094 1.00 50.98 ? 581 THR B O 1 ATOM 2622 C CB . THR B 2 80 ? -60.560 25.248 -16.321 1.00 54.31 ? 581 THR B CB 1 ATOM 2623 O OG1 . THR B 2 80 ? -61.823 25.649 -16.863 1.00 57.17 ? 581 THR B OG1 1 ATOM 2624 C CG2 . THR B 2 80 ? -60.629 25.291 -14.805 1.00 50.86 ? 581 THR B CG2 1 ATOM 2625 N N . PHE B 2 81 ? -57.664 26.976 -15.408 1.00 52.95 ? 582 PHE B N 1 ATOM 2626 C CA . PHE B 2 81 ? -56.428 26.880 -14.641 1.00 60.27 ? 582 PHE B CA 1 ATOM 2627 C C . PHE B 2 81 ? -56.621 27.124 -13.151 1.00 59.39 ? 582 PHE B C 1 ATOM 2628 O O . PHE B 2 81 ? -55.641 27.065 -12.400 1.00 60.23 ? 582 PHE B O 1 ATOM 2629 C CB . PHE B 2 81 ? -55.390 27.883 -15.167 1.00 55.47 ? 582 PHE B CB 1 ATOM 2630 C CG . PHE B 2 81 ? -54.876 27.579 -16.540 1.00 64.62 ? 582 PHE B CG 1 ATOM 2631 C CD1 . PHE B 2 81 ? -53.737 26.808 -16.712 1.00 58.31 ? 582 PHE B CD1 1 ATOM 2632 C CD2 . PHE B 2 81 ? -55.516 28.078 -17.666 1.00 57.89 ? 582 PHE B CD2 1 ATOM 2633 C CE1 . PHE B 2 81 ? -53.250 26.531 -17.974 1.00 60.76 ? 582 PHE B CE1 1 ATOM 2634 C CE2 . PHE B 2 81 ? -55.032 27.803 -18.932 1.00 64.80 ? 582 PHE B CE2 1 ATOM 2635 C CZ . PHE B 2 81 ? -53.899 27.024 -19.084 1.00 58.35 ? 582 PHE B CZ 1 ATOM 2636 N N . SER B 2 82 ? -57.847 27.393 -12.702 1.00 53.78 ? 583 SER B N 1 ATOM 2637 C CA . SER B 2 82 ? -58.093 27.986 -11.394 1.00 56.69 ? 583 SER B CA 1 ATOM 2638 C C . SER B 2 82 ? -58.612 26.997 -10.356 1.00 52.61 ? 583 SER B C 1 ATOM 2639 O O . SER B 2 82 ? -58.975 27.416 -9.251 1.00 56.10 ? 583 SER B O 1 ATOM 2640 C CB . SER B 2 82 ? -59.081 29.150 -11.529 1.00 60.63 ? 583 SER B CB 1 ATOM 2641 O OG . SER B 2 82 ? -60.334 28.710 -12.027 1.00 68.59 ? 583 SER B OG 1 ATOM 2642 N N . ILE B 2 83 ? -58.649 25.701 -10.671 1.00 51.11 ? 584 ILE B N 1 ATOM 2643 C CA . ILE B 2 83 ? -59.286 24.745 -9.765 1.00 58.66 ? 584 ILE B CA 1 ATOM 2644 C C . ILE B 2 83 ? -58.548 24.676 -8.433 1.00 57.76 ? 584 ILE B C 1 ATOM 2645 O O . ILE B 2 83 ? -59.171 24.673 -7.363 1.00 61.12 ? 584 ILE B O 1 ATOM 2646 C CB . ILE B 2 83 ? -59.388 23.363 -10.433 1.00 58.28 ? 584 ILE B CB 1 ATOM 2647 C CG1 . ILE B 2 83 ? -60.436 23.405 -11.544 1.00 54.05 ? 584 ILE B CG1 1 ATOM 2648 C CG2 . ILE B 2 83 ? -59.739 22.298 -9.404 1.00 53.27 ? 584 ILE B CG2 1 ATOM 2649 C CD1 . ILE B 2 83 ? -60.507 22.133 -12.361 1.00 49.79 ? 584 ILE B CD1 1 ATOM 2650 N N . LEU B 2 84 ? -57.215 24.632 -8.470 1.00 61.62 ? 585 LEU B N 1 ATOM 2651 C CA . LEU B 2 84 ? -56.454 24.462 -7.236 1.00 57.91 ? 585 LEU B CA 1 ATOM 2652 C C . LEU B 2 84 ? -56.465 25.729 -6.391 1.00 71.16 ? 585 LEU B C 1 ATOM 2653 O O . LEU B 2 84 ? -56.536 25.656 -5.158 1.00 59.49 ? 585 LEU B O 1 ATOM 2654 C CB . LEU B 2 84 ? -55.022 24.036 -7.559 1.00 54.43 ? 585 LEU B CB 1 ATOM 2655 C CG . LEU B 2 84 ? -54.854 22.614 -8.100 1.00 68.19 ? 585 LEU B CG 1 ATOM 2656 C CD1 . LEU B 2 84 ? -53.384 22.274 -8.256 1.00 59.65 ? 585 LEU B CD1 1 ATOM 2657 C CD2 . LEU B 2 84 ? -55.536 21.615 -7.185 1.00 57.13 ? 585 LEU B CD2 1 ATOM 2658 N N . ASN B 2 85 ? -56.396 26.900 -7.032 1.00 57.00 ? 586 ASN B N 1 ATOM 2659 C CA . ASN B 2 85 ? -56.496 28.149 -6.284 1.00 61.37 ? 586 ASN B CA 1 ATOM 2660 C C . ASN B 2 85 ? -57.842 28.262 -5.582 1.00 65.41 ? 586 ASN B C 1 ATOM 2661 O O . ASN B 2 85 ? -57.916 28.734 -4.441 1.00 57.42 ? 586 ASN B O 1 ATOM 2662 C CB . ASN B 2 85 ? -56.272 29.342 -7.212 1.00 53.81 ? 586 ASN B CB 1 ATOM 2663 C CG . ASN B 2 85 ? -54.803 29.592 -7.498 1.00 84.81 ? 586 ASN B CG 1 ATOM 2664 O OD1 . ASN B 2 85 ? -53.925 29.054 -6.821 1.00 70.48 ? 586 ASN B OD1 1 ATOM 2665 N ND2 . ASN B 2 85 ? -54.529 30.419 -8.500 1.00 84.86 ? 586 ASN B ND2 1 ATOM 2666 N N . ARG B 2 86 ? -58.919 27.830 -6.244 1.00 51.40 ? 587 ARG B N 1 ATOM 2667 C CA . ARG B 2 86 ? -60.232 27.875 -5.610 1.00 59.57 ? 587 ARG B CA 1 ATOM 2668 C C . ARG B 2 86 ? -60.334 26.886 -4.454 1.00 64.25 ? 587 ARG B C 1 ATOM 2669 O O . ARG B 2 86 ? -61.014 27.170 -3.461 1.00 53.92 ? 587 ARG B O 1 ATOM 2670 C CB . ARG B 2 86 ? -61.326 27.602 -6.643 1.00 52.40 ? 587 ARG B CB 1 ATOM 2671 C CG . ARG B 2 86 ? -62.713 28.017 -6.182 1.00 81.26 ? 587 ARG B CG 1 ATOM 2672 C CD . ARG B 2 86 ? -63.794 27.402 -7.044 1.00 92.67 ? 587 ARG B CD 1 ATOM 2673 N NE . ARG B 2 86 ? -65.032 27.225 -6.292 1.00 122.59 ? 587 ARG B NE 1 ATOM 2674 C CZ . ARG B 2 86 ? -66.042 26.457 -6.682 1.00 131.37 ? 587 ARG B CZ 1 ATOM 2675 N NH1 . ARG B 2 86 ? -65.966 25.785 -7.824 1.00 133.48 ? 587 ARG B NH1 1 ATOM 2676 N NH2 . ARG B 2 86 ? -67.127 26.357 -5.927 1.00 127.43 ? 587 ARG B NH2 1 ATOM 2677 N N . LYS B 2 87 ? -59.677 25.728 -4.563 1.00 55.14 ? 588 LYS B N 1 ATOM 2678 C CA . LYS B 2 87 ? -59.625 24.802 -3.437 1.00 58.60 ? 588 LYS B CA 1 ATOM 2679 C C . LYS B 2 87 ? -58.929 25.436 -2.241 1.00 68.17 ? 588 LYS B C 1 ATOM 2680 O O . LYS B 2 87 ? -59.382 25.288 -1.101 1.00 56.01 ? 588 LYS B O 1 ATOM 2681 C CB . LYS B 2 87 ? -58.916 23.510 -3.843 1.00 52.79 ? 588 LYS B CB 1 ATOM 2682 C CG . LYS B 2 87 ? -59.711 22.598 -4.762 1.00 63.10 ? 588 LYS B CG 1 ATOM 2683 C CD . LYS B 2 87 ? -60.934 22.028 -4.072 1.00 71.43 ? 588 LYS B CD 1 ATOM 2684 C CE . LYS B 2 87 ? -61.544 20.902 -4.899 1.00 79.81 ? 588 LYS B CE 1 ATOM 2685 N NZ . LYS B 2 87 ? -62.857 20.448 -4.357 1.00 73.84 ? 588 LYS B NZ 1 ATOM 2686 N N . ALA B 2 88 ? -57.820 26.145 -2.480 1.00 62.08 ? 589 ALA B N 1 ATOM 2687 C CA . ALA B 2 88 ? -57.120 26.808 -1.385 1.00 61.80 ? 589 ALA B CA 1 ATOM 2688 C C . ALA B 2 88 ? -58.001 27.860 -0.725 1.00 64.93 ? 589 ALA B C 1 ATOM 2689 O O . ALA B 2 88 ? -58.026 27.978 0.506 1.00 55.12 ? 589 ALA B O 1 ATOM 2690 C CB . ALA B 2 88 ? -55.823 27.436 -1.892 1.00 48.47 ? 589 ALA B CB 1 ATOM 2691 N N . ILE B 2 89 ? -58.736 28.634 -1.528 1.00 54.82 ? 590 ILE B N 1 ATOM 2692 C CA . ILE B 2 89 ? -59.637 29.638 -0.968 1.00 60.79 ? 590 ILE B CA 1 ATOM 2693 C C . ILE B 2 89 ? -60.714 28.976 -0.122 1.00 62.29 ? 590 ILE B C 1 ATOM 2694 O O . ILE B 2 89 ? -61.024 29.434 0.984 1.00 54.32 ? 590 ILE B O 1 ATOM 2695 C CB . ILE B 2 89 ? -60.247 30.495 -2.090 1.00 54.27 ? 590 ILE B CB 1 ATOM 2696 C CG1 . ILE B 2 89 ? -59.161 31.324 -2.767 1.00 52.50 ? 590 ILE B CG1 1 ATOM 2697 C CG2 . ILE B 2 89 ? -61.338 31.405 -1.538 1.00 54.75 ? 590 ILE B CG2 1 ATOM 2698 C CD1 . ILE B 2 89 ? -59.664 32.081 -3.978 1.00 53.09 ? 590 ILE B CD1 1 ATOM 2699 N N . ASP B 2 90 ? -61.294 27.883 -0.624 1.00 52.34 ? 591 ASP B N 1 ATOM 2700 C CA . ASP B 2 90 ? -62.334 27.184 0.122 1.00 57.01 ? 591 ASP B CA 1 ATOM 2701 C C . ASP B 2 90 ? -61.790 26.549 1.395 1.00 61.01 ? 591 ASP B C 1 ATOM 2702 O O . ASP B 2 90 ? -62.520 26.431 2.386 1.00 56.43 ? 591 ASP B O 1 ATOM 2703 C CB . ASP B 2 90 ? -62.994 26.134 -0.766 1.00 59.25 ? 591 ASP B CB 1 ATOM 2704 C CG . ASP B 2 90 ? -63.996 26.736 -1.730 1.00 67.94 ? 591 ASP B CG 1 ATOM 2705 O OD1 . ASP B 2 90 ? -64.468 27.860 -1.468 1.00 68.88 ? 591 ASP B OD1 1 ATOM 2706 O OD2 . ASP B 2 90 ? -64.322 26.084 -2.743 1.00 78.15 ? 591 ASP B OD2 1 ATOM 2707 N N . PHE B 2 91 ? -60.520 26.133 1.395 1.00 64.79 ? 592 PHE B N 1 ATOM 2708 C CA . PHE B 2 91 ? -59.901 25.661 2.629 1.00 61.18 ? 592 PHE B CA 1 ATOM 2709 C C . PHE B 2 91 ? -59.916 26.751 3.692 1.00 53.56 ? 592 PHE B C 1 ATOM 2710 O O . PHE B 2 91 ? -60.256 26.503 4.854 1.00 55.84 ? 592 PHE B O 1 ATOM 2711 C CB . PHE B 2 91 ? -58.468 25.195 2.356 1.00 59.97 ? 592 PHE B CB 1 ATOM 2712 C CG . PHE B 2 91 ? -57.748 24.674 3.573 1.00 71.68 ? 592 PHE B CG 1 ATOM 2713 C CD1 . PHE B 2 91 ? -57.025 25.530 4.395 1.00 75.14 ? 592 PHE B CD1 1 ATOM 2714 C CD2 . PHE B 2 91 ? -57.780 23.324 3.885 1.00 73.07 ? 592 PHE B CD2 1 ATOM 2715 C CE1 . PHE B 2 91 ? -56.361 25.050 5.513 1.00 66.56 ? 592 PHE B CE1 1 ATOM 2716 C CE2 . PHE B 2 91 ? -57.117 22.836 4.999 1.00 72.39 ? 592 PHE B CE2 1 ATOM 2717 C CZ . PHE B 2 91 ? -56.406 23.700 5.813 1.00 66.97 ? 592 PHE B CZ 1 ATOM 2718 N N . LEU B 2 92 ? -59.556 27.976 3.309 1.00 60.46 ? 593 LEU B N 1 ATOM 2719 C CA . LEU B 2 92 ? -59.459 29.053 4.288 1.00 61.61 ? 593 LEU B CA 1 ATOM 2720 C C . LEU B 2 92 ? -60.836 29.499 4.761 1.00 64.66 ? 593 LEU B C 1 ATOM 2721 O O . LEU B 2 92 ? -61.037 29.751 5.955 1.00 64.59 ? 593 LEU B O 1 ATOM 2722 C CB . LEU B 2 92 ? -58.684 30.225 3.691 1.00 58.06 ? 593 LEU B CB 1 ATOM 2723 C CG . LEU B 2 92 ? -57.178 30.003 3.547 1.00 67.44 ? 593 LEU B CG 1 ATOM 2724 C CD1 . LEU B 2 92 ? -56.565 31.046 2.632 1.00 51.26 ? 593 LEU B CD1 1 ATOM 2725 C CD2 . LEU B 2 92 ? -56.512 30.044 4.917 1.00 62.10 ? 593 LEU B CD2 1 ATOM 2726 N N . LEU B 2 93 ? -61.798 29.596 3.842 1.00 62.57 ? 594 LEU B N 1 ATOM 2727 C CA . LEU B 2 93 ? -63.141 30.029 4.212 1.00 65.29 ? 594 LEU B CA 1 ATOM 2728 C C . LEU B 2 93 ? -63.810 29.044 5.166 1.00 59.35 ? 594 LEU B C 1 ATOM 2729 O O . LEU B 2 93 ? -64.596 29.454 6.027 1.00 67.30 ? 594 LEU B O 1 ATOM 2730 C CB . LEU B 2 93 ? -63.992 30.222 2.959 1.00 60.71 ? 594 LEU B CB 1 ATOM 2731 C CG . LEU B 2 93 ? -63.609 31.365 2.018 1.00 67.44 ? 594 LEU B CG 1 ATOM 2732 C CD1 . LEU B 2 93 ? -64.444 31.275 0.759 1.00 53.28 ? 594 LEU B CD1 1 ATOM 2733 C CD2 . LEU B 2 93 ? -63.820 32.713 2.692 1.00 51.42 ? 594 LEU B CD2 1 ATOM 2734 N N . GLN B 2 94 ? -63.512 27.747 5.032 1.00 59.50 ? 595 GLN B N 1 ATOM 2735 C CA . GLN B 2 94 ? -64.136 26.744 5.895 1.00 66.42 ? 595 GLN B CA 1 ATOM 2736 C C . GLN B 2 94 ? -63.731 26.932 7.351 1.00 70.71 ? 595 GLN B C 1 ATOM 2737 O O . GLN B 2 94 ? -64.547 26.732 8.263 1.00 66.63 ? 595 GLN B O 1 ATOM 2738 C CB . GLN B 2 94 ? -63.765 25.337 5.414 1.00 70.85 ? 595 GLN B CB 1 ATOM 2739 C CG . GLN B 2 94 ? -64.373 24.215 6.240 1.00 97.78 ? 595 GLN B CG 1 ATOM 2740 C CD . GLN B 2 94 ? -65.892 24.208 6.185 1.00 115.72 ? 595 GLN B CD 1 ATOM 2741 O OE1 . GLN B 2 94 ? -66.489 24.620 5.191 1.00 109.03 ? 595 GLN B OE1 1 ATOM 2742 N NE2 . GLN B 2 94 ? -66.523 23.746 7.262 1.00 114.05 ? 595 GLN B NE2 1 ATOM 2743 N N . ARG B 2 95 ? -62.480 27.317 7.596 1.00 68.66 ? 596 ARG B N 1 ATOM 2744 C CA . ARG B 2 95 ? -61.970 27.486 8.949 1.00 81.76 ? 596 ARG B CA 1 ATOM 2745 C C . ARG B 2 95 ? -62.052 28.917 9.456 1.00 79.22 ? 596 ARG B C 1 ATOM 2746 O O . ARG B 2 95 ? -62.184 29.125 10.664 1.00 88.36 ? 596 ARG B O 1 ATOM 2747 C CB . ARG B 2 95 ? -60.514 27.018 9.033 1.00 75.70 ? 596 ARG B CB 1 ATOM 2748 C CG . ARG B 2 95 ? -60.317 25.550 8.701 1.00 83.97 ? 596 ARG B CG 1 ATOM 2749 C CD . ARG B 2 95 ? -58.872 25.120 8.881 1.00 76.21 ? 596 ARG B CD 1 ATOM 2750 N NE . ARG B 2 95 ? -58.680 23.709 8.556 1.00 97.94 ? 596 ARG B NE 1 ATOM 2751 C CZ . ARG B 2 95 ? -57.585 23.016 8.851 1.00 103.86 ? 596 ARG B CZ 1 ATOM 2752 N NH1 . ARG B 2 95 ? -57.498 21.735 8.518 1.00 121.16 ? 596 ARG B NH1 1 ATOM 2753 N NH2 . ARG B 2 95 ? -56.577 23.601 9.481 1.00 79.97 ? 596 ARG B NH2 1 ATOM 2754 N N . TRP B 2 96 ? -61.985 29.910 8.569 1.00 81.08 ? 597 TRP B N 1 ATOM 2755 C CA . TRP B 2 96 ? -61.875 31.296 8.999 1.00 76.83 ? 597 TRP B CA 1 ATOM 2756 C C . TRP B 2 96 ? -62.927 32.203 8.376 1.00 80.00 ? 597 TRP B C 1 ATOM 2757 O O . TRP B 2 96 ? -62.789 33.428 8.451 1.00 76.24 ? 597 TRP B O 1 ATOM 2758 C CB . TRP B 2 96 ? -60.476 31.831 8.695 1.00 63.78 ? 597 TRP B CB 1 ATOM 2759 C CG . TRP B 2 96 ? -59.385 30.930 9.174 1.00 73.93 ? 597 TRP B CG 1 ATOM 2760 C CD1 . TRP B 2 96 ? -58.626 30.083 8.419 1.00 72.15 ? 597 TRP B CD1 1 ATOM 2761 C CD2 . TRP B 2 96 ? -58.938 30.771 10.525 1.00 68.39 ? 597 TRP B CD2 1 ATOM 2762 N NE1 . TRP B 2 96 ? -57.734 29.410 9.215 1.00 70.45 ? 597 TRP B NE1 1 ATOM 2763 C CE2 . TRP B 2 96 ? -57.902 29.817 10.512 1.00 68.00 ? 597 TRP B CE2 1 ATOM 2764 C CE3 . TRP B 2 96 ? -59.309 31.348 11.744 1.00 67.97 ? 597 TRP B CE3 1 ATOM 2765 C CZ2 . TRP B 2 96 ? -57.233 29.427 11.669 1.00 71.95 ? 597 TRP B CZ2 1 ATOM 2766 C CZ3 . TRP B 2 96 ? -58.647 30.959 12.892 1.00 79.89 ? 597 TRP B CZ3 1 ATOM 2767 C CH2 . TRP B 2 96 ? -57.621 30.005 12.846 1.00 81.19 ? 597 TRP B CH2 1 ATOM 2768 N N . GLY B 2 97 ? -63.959 31.639 7.755 1.00 82.80 ? 598 GLY B N 1 ATOM 2769 C CA . GLY B 2 97 ? -65.024 32.427 7.171 1.00 83.48 ? 598 GLY B CA 1 ATOM 2770 C C . GLY B 2 97 ? -66.055 32.943 8.144 1.00 86.73 ? 598 GLY B C 1 ATOM 2771 O O . GLY B 2 97 ? -66.969 33.668 7.742 1.00 87.64 ? 598 GLY B O 1 ATOM 2772 N N . GLY B 2 98 ? -65.940 32.582 9.417 1.00 91.77 ? 599 GLY B N 1 ATOM 2773 C CA . GLY B 2 98 ? -66.845 33.075 10.434 1.00 92.00 ? 599 GLY B CA 1 ATOM 2774 C C . GLY B 2 98 ? -66.132 33.343 11.741 1.00 91.74 ? 599 GLY B C 1 ATOM 2775 O O . GLY B 2 98 ? -64.898 33.325 11.798 1.00 90.86 ? 599 GLY B O 1 ATOM 2776 N N . THR B 2 99 ? -66.897 33.589 12.800 1.00 100.44 ? 600 THR B N 1 ATOM 2777 C CA . THR B 2 99 ? -66.306 33.844 14.106 1.00 95.65 ? 600 THR B CA 1 ATOM 2778 C C . THR B 2 99 ? -65.767 32.550 14.704 1.00 97.04 ? 600 THR B C 1 ATOM 2779 O O . THR B 2 99 ? -66.466 31.533 14.749 1.00 100.54 ? 600 THR B O 1 ATOM 2780 C CB . THR B 2 99 ? -67.338 34.476 15.039 1.00 109.22 ? 600 THR B CB 1 ATOM 2781 O OG1 . THR B 2 99 ? -67.621 35.813 14.605 1.00 97.87 ? 600 THR B OG1 1 ATOM 2782 C CG2 . THR B 2 99 ? -66.813 34.514 16.460 1.00 100.73 ? 600 THR B CG2 1 ATOM 2783 N N . CYS B 2 100 ? -64.517 32.591 15.163 1.00 94.75 ? 601 CYS B N 1 ATOM 2784 C CA . CYS B 2 100 ? -63.843 31.425 15.729 1.00 95.87 ? 601 CYS B CA 1 ATOM 2785 C C . CYS B 2 100 ? -64.155 31.347 17.220 1.00 99.64 ? 601 CYS B C 1 ATOM 2786 O O . CYS B 2 100 ? -63.613 32.120 18.017 1.00 99.03 ? 601 CYS B O 1 ATOM 2787 C CB . CYS B 2 100 ? -62.338 31.514 15.494 1.00 91.87 ? 601 CYS B CB 1 ATOM 2788 S SG . CYS B 2 100 ? -61.476 29.934 15.227 1.00 91.97 ? 601 CYS B SG 1 ATOM 2789 N N . HIS B 2 101 ? -65.020 30.411 17.600 1.00 103.72 ? 602 HIS B N 1 ATOM 2790 C CA . HIS B 2 101 ? -65.346 30.192 19.006 1.00 111.59 ? 602 HIS B CA 1 ATOM 2791 C C . HIS B 2 101 ? -64.299 29.266 19.611 1.00 107.84 ? 602 HIS B C 1 ATOM 2792 O O . HIS B 2 101 ? -64.282 28.066 19.317 1.00 108.98 ? 602 HIS B O 1 ATOM 2793 C CB . HIS B 2 101 ? -66.743 29.596 19.150 1.00 112.06 ? 602 HIS B CB 1 ATOM 2794 C CG . HIS B 2 101 ? -67.840 30.480 18.646 1.00 120.02 ? 602 HIS B CG 1 ATOM 2795 N ND1 . HIS B 2 101 ? -68.631 31.234 19.486 1.00 129.73 ? 602 HIS B ND1 1 ATOM 2796 C CD2 . HIS B 2 101 ? -68.294 30.714 17.391 1.00 128.21 ? 602 HIS B CD2 1 ATOM 2797 C CE1 . HIS B 2 101 ? -69.520 31.900 18.771 1.00 126.87 ? 602 HIS B CE1 1 ATOM 2798 N NE2 . HIS B 2 101 ? -69.337 31.602 17.497 1.00 128.43 ? 602 HIS B NE2 1 ATOM 2799 N N . ILE B 2 102 ? -63.425 29.819 20.456 1.00 107.02 ? 603 ILE B N 1 ATOM 2800 C CA . ILE B 2 102 ? -62.373 29.020 21.073 1.00 114.62 ? 603 ILE B CA 1 ATOM 2801 C C . ILE B 2 102 ? -62.986 27.861 21.848 1.00 113.83 ? 603 ILE B C 1 ATOM 2802 O O . ILE B 2 102 ? -64.019 28.009 22.515 1.00 115.44 ? 603 ILE B O 1 ATOM 2803 C CB . ILE B 2 102 ? -61.497 29.904 21.978 1.00 115.29 ? 603 ILE B CB 1 ATOM 2804 C CG1 . ILE B 2 102 ? -60.905 31.061 21.172 1.00 104.18 ? 603 ILE B CG1 1 ATOM 2805 C CG2 . ILE B 2 102 ? -60.378 29.091 22.614 1.00 107.16 ? 603 ILE B CG2 1 ATOM 2806 C CD1 . ILE B 2 102 ? -60.069 32.012 21.998 1.00 101.18 ? 603 ILE B CD1 1 ATOM 2807 N N . LEU B 2 103 ? -62.352 26.691 21.739 1.00 112.38 ? 604 LEU B N 1 ATOM 2808 C CA . LEU B 2 103 ? -62.711 25.397 22.310 1.00 116.43 ? 604 LEU B CA 1 ATOM 2809 C C . LEU B 2 103 ? -63.775 24.674 21.486 1.00 117.94 ? 604 LEU B C 1 ATOM 2810 O O . LEU B 2 103 ? -64.018 23.491 21.730 1.00 121.00 ? 604 LEU B O 1 ATOM 2811 C CB . LEU B 2 103 ? -63.185 25.478 23.776 1.00 120.49 ? 604 LEU B CB 1 ATOM 2812 C CG . LEU B 2 103 ? -62.146 25.909 24.813 1.00 120.38 ? 604 LEU B CG 1 ATOM 2813 C CD1 . LEU B 2 103 ? -62.702 25.734 26.218 1.00 125.10 ? 604 LEU B CD1 1 ATOM 2814 C CD2 . LEU B 2 103 ? -60.850 25.129 24.644 1.00 118.97 ? 604 LEU B CD2 1 ATOM 2815 N N . GLY B 2 104 ? -64.412 25.330 20.519 1.00 116.12 ? 605 GLY B N 1 ATOM 2816 C CA . GLY B 2 104 ? -65.384 24.682 19.672 1.00 117.64 ? 605 GLY B CA 1 ATOM 2817 C C . GLY B 2 104 ? -64.728 23.750 18.673 1.00 122.49 ? 605 GLY B C 1 ATOM 2818 O O . GLY B 2 104 ? -63.517 23.810 18.437 1.00 113.03 ? 605 GLY B O 1 ATOM 2819 N N . PRO B 2 105 ? -65.520 22.861 18.064 1.00 128.87 ? 606 PRO B N 1 ATOM 2820 C CA . PRO B 2 105 ? -64.940 21.885 17.129 1.00 128.40 ? 606 PRO B CA 1 ATOM 2821 C C . PRO B 2 105 ? -64.557 22.463 15.777 1.00 127.76 ? 606 PRO B C 1 ATOM 2822 O O . PRO B 2 105 ? -63.722 21.863 15.088 1.00 134.39 ? 606 PRO B O 1 ATOM 2823 C CB . PRO B 2 105 ? -66.053 20.839 16.982 1.00 127.56 ? 606 PRO B CB 1 ATOM 2824 C CG . PRO B 2 105 ? -67.308 21.609 17.225 1.00 125.07 ? 606 PRO B CG 1 ATOM 2825 C CD . PRO B 2 105 ? -66.966 22.651 18.261 1.00 123.45 ? 606 PRO B CD 1 ATOM 2826 N N . ASP B 2 106 ? -65.130 23.595 15.374 1.00 127.62 ? 607 ASP B N 1 ATOM 2827 C CA . ASP B 2 106 ? -64.864 24.188 14.071 1.00 125.45 ? 607 ASP B CA 1 ATOM 2828 C C . ASP B 2 106 ? -63.855 25.328 14.131 1.00 115.72 ? 607 ASP B C 1 ATOM 2829 O O . ASP B 2 106 ? -63.648 26.010 13.122 1.00 103.98 ? 607 ASP B O 1 ATOM 2830 C CB . ASP B 2 106 ? -66.168 24.683 13.441 1.00 128.47 ? 607 ASP B CB 1 ATOM 2831 C CG . ASP B 2 106 ? -67.118 23.553 13.100 1.00 141.03 ? 607 ASP B CG 1 ATOM 2832 O OD1 . ASP B 2 106 ? -66.668 22.556 12.498 1.00 141.99 ? 607 ASP B OD1 1 ATOM 2833 O OD2 . ASP B 2 106 ? -68.315 23.660 13.439 1.00 144.99 ? 607 ASP B OD2 1 ATOM 2834 N N . CYS B 2 107 ? -63.225 25.551 15.282 1.00 103.57 ? 608 CYS B N 1 ATOM 2835 C CA . CYS B 2 107 ? -62.282 26.647 15.473 1.00 99.84 ? 608 CYS B CA 1 ATOM 2836 C C . CYS B 2 107 ? -60.900 26.068 15.748 1.00 98.65 ? 608 CYS B C 1 ATOM 2837 O O . CYS B 2 107 ? -60.694 25.405 16.771 1.00 101.40 ? 608 CYS B O 1 ATOM 2838 C CB . CYS B 2 107 ? -62.733 27.558 16.619 1.00 101.22 ? 608 CYS B CB 1 ATOM 2839 S SG . CYS B 2 107 ? -61.601 28.918 16.983 1.00 97.29 ? 608 CYS B SG 1 ATOM 2840 N N . CYS B 2 108 ? -59.957 26.325 14.842 1.00 94.73 ? 609 CYS B N 1 ATOM 2841 C CA . CYS B 2 108 ? -58.616 25.740 14.927 1.00 93.60 ? 609 CYS B CA 1 ATOM 2842 C C . CYS B 2 108 ? -57.658 26.665 15.683 1.00 101.52 ? 609 CYS B C 1 ATOM 2843 O O . CYS B 2 108 ? -56.621 27.089 15.172 1.00 91.14 ? 609 CYS B O 1 ATOM 2844 C CB . CYS B 2 108 ? -58.085 25.428 13.533 1.00 100.63 ? 609 CYS B CB 1 ATOM 2845 S SG . CYS B 2 108 ? -59.160 24.391 12.516 1.00 104.69 ? 609 CYS B SG 1 ATOM 2846 N N . ILE B 2 109 ? -58.019 26.969 16.927 1.00 93.94 ? 610 ILE B N 1 ATOM 2847 C CA . ILE B 2 109 ? -57.194 27.775 17.819 1.00 94.62 ? 610 ILE B CA 1 ATOM 2848 C C . ILE B 2 109 ? -56.885 26.938 19.051 1.00 96.62 ? 610 ILE B C 1 ATOM 2849 O O . ILE B 2 109 ? -57.803 26.469 19.736 1.00 101.97 ? 610 ILE B O 1 ATOM 2850 C CB . ILE B 2 109 ? -57.884 29.093 18.209 1.00 96.37 ? 610 ILE B CB 1 ATOM 2851 C CG1 . ILE B 2 109 ? -57.956 30.034 17.005 1.00 88.58 ? 610 ILE B CG1 1 ATOM 2852 C CG2 . ILE B 2 109 ? -57.152 29.754 19.364 1.00 92.93 ? 610 ILE B CG2 1 ATOM 2853 C CD1 . ILE B 2 109 ? -58.724 31.312 17.281 1.00 88.54 ? 610 ILE B CD1 1 ATOM 2854 N N . GLU B 2 110 ? -55.594 26.752 19.334 1.00 100.96 ? 611 GLU B N 1 ATOM 2855 C CA . GLU B 2 110 ? -55.169 25.963 20.481 1.00 112.94 ? 611 GLU B CA 1 ATOM 2856 C C . GLU B 2 110 ? -54.699 26.886 21.595 1.00 115.91 ? 611 GLU B C 1 ATOM 2857 O O . GLU B 2 110 ? -53.682 27.576 21.424 1.00 112.59 ? 611 GLU B O 1 ATOM 2858 C CB . GLU B 2 110 ? -54.054 24.996 20.088 1.00 106.00 ? 611 GLU B CB 1 ATOM 2859 C CG . GLU B 2 110 ? -53.553 24.138 21.240 1.00 132.46 ? 611 GLU B CG 1 ATOM 2860 C CD . GLU B 2 110 ? -54.492 22.995 21.568 1.00 146.42 ? 611 GLU B CD 1 ATOM 2861 O OE1 . GLU B 2 110 ? -54.835 22.227 20.646 1.00 159.59 ? 611 GLU B OE1 1 ATOM 2862 O OE2 . GLU B 2 110 ? -54.898 22.871 22.742 1.00 152.07 ? 611 GLU B OE2 1 ATOM 2863 N N . PRO B 2 111 ? -55.399 26.959 22.725 1.00 113.53 ? 612 PRO B N 1 ATOM 2864 C CA . PRO B 2 111 ? -54.883 27.736 23.856 1.00 124.34 ? 612 PRO B CA 1 ATOM 2865 C C . PRO B 2 111 ? -54.289 26.857 24.945 1.00 125.61 ? 612 PRO B C 1 ATOM 2866 O O . PRO B 2 111 ? -54.385 27.185 26.133 1.00 159.12 ? 612 PRO B O 1 ATOM 2867 C CB . PRO B 2 111 ? -56.128 28.474 24.353 1.00 123.15 ? 612 PRO B CB 1 ATOM 2868 C CG . PRO B 2 111 ? -57.229 27.478 24.114 1.00 126.68 ? 612 PRO B CG 1 ATOM 2869 C CD . PRO B 2 111 ? -56.833 26.657 22.888 1.00 119.05 ? 612 PRO B CD 1 ATOM 2870 N N . ALA B 2 112 ? -53.681 25.734 24.554 1.00 186.54 ? 613 ALA B N 1 ATOM 2871 C CA . ALA B 2 112 ? -53.123 24.812 25.540 1.00 176.89 ? 613 ALA B CA 1 ATOM 2872 C C . ALA B 2 112 ? -51.982 25.461 26.311 1.00 174.81 ? 613 ALA B C 1 ATOM 2873 O O . ALA B 2 112 ? -51.983 25.478 27.547 1.00 174.47 ? 613 ALA B O 1 ATOM 2874 C CB . ALA B 2 112 ? -52.650 23.529 24.855 1.00 178.09 ? 613 ALA B CB 1 ATOM 2875 N N . ASP B 2 113 ? -50.989 25.993 25.593 1.00 177.31 ? 614 ASP B N 1 ATOM 2876 C CA . ASP B 2 113 ? -49.954 26.787 26.244 1.00 176.44 ? 614 ASP B CA 1 ATOM 2877 C C . ASP B 2 113 ? -50.554 28.012 26.918 1.00 176.02 ? 614 ASP B C 1 ATOM 2878 O O . ASP B 2 113 ? -50.072 28.444 27.971 1.00 174.08 ? 614 ASP B O 1 ATOM 2879 C CB . ASP B 2 113 ? -48.891 27.195 25.219 1.00 180.66 ? 614 ASP B CB 1 ATOM 2880 C CG . ASP B 2 113 ? -47.608 27.708 25.862 1.00 179.71 ? 614 ASP B CG 1 ATOM 2881 O OD1 . ASP B 2 113 ? -47.673 28.547 26.785 1.00 184.05 ? 614 ASP B OD1 1 ATOM 2882 O OD2 . ASP B 2 113 ? -46.521 27.270 25.433 1.00 180.79 ? 614 ASP B OD2 1 ATOM 2883 N N . TRP B 2 114 ? -51.623 28.568 26.340 1.00 178.72 ? 615 TRP B N 1 ATOM 2884 C CA . TRP B 2 114 ? -52.241 29.753 26.919 1.00 179.02 ? 615 TRP B CA 1 ATOM 2885 C C . TRP B 2 114 ? -52.809 29.474 28.304 1.00 174.52 ? 615 TRP B C 1 ATOM 2886 O O . TRP B 2 114 ? -52.869 30.381 29.143 1.00 172.81 ? 615 TRP B O 1 ATOM 2887 C CB . TRP B 2 114 ? -53.332 30.289 25.994 1.00 185.71 ? 615 TRP B CB 1 ATOM 2888 C CG . TRP B 2 114 ? -53.927 31.561 26.491 1.00 190.17 ? 615 TRP B CG 1 ATOM 2889 C CD1 . TRP B 2 114 ? -55.245 31.819 26.726 1.00 187.00 ? 615 TRP B CD1 1 ATOM 2890 C CD2 . TRP B 2 114 ? -53.215 32.751 26.844 1.00 190.39 ? 615 TRP B CD2 1 ATOM 2891 N NE1 . TRP B 2 114 ? -55.399 33.103 27.191 1.00 182.12 ? 615 TRP B NE1 1 ATOM 2892 C CE2 . TRP B 2 114 ? -54.166 33.695 27.274 1.00 184.52 ? 615 TRP B CE2 1 ATOM 2893 C CE3 . TRP B 2 114 ? -51.865 33.113 26.831 1.00 191.87 ? 615 TRP B CE3 1 ATOM 2894 C CZ2 . TRP B 2 114 ? -53.809 34.974 27.687 1.00 183.84 ? 615 TRP B CZ2 1 ATOM 2895 C CZ3 . TRP B 2 114 ? -51.514 34.378 27.242 1.00 189.65 ? 615 TRP B CZ3 1 ATOM 2896 C CH2 . TRP B 2 114 ? -52.480 35.294 27.661 1.00 186.25 ? 615 TRP B CH2 1 ATOM 2897 N N . THR B 2 115 ? -53.228 28.234 28.566 1.00 183.92 ? 616 THR B N 1 ATOM 2898 C CA . THR B 2 115 ? -53.650 27.872 29.914 1.00 189.75 ? 616 THR B CA 1 ATOM 2899 C C . THR B 2 115 ? -52.457 27.793 30.854 1.00 181.20 ? 616 THR B C 1 ATOM 2900 O O . THR B 2 115 ? -52.469 28.386 31.940 1.00 177.29 ? 616 THR B O 1 ATOM 2901 C CB . THR B 2 115 ? -54.399 26.541 29.902 1.00 196.84 ? 616 THR B CB 1 ATOM 2902 O OG1 . THR B 2 115 ? -53.848 25.687 28.891 1.00 206.20 ? 616 THR B OG1 1 ATOM 2903 C CG2 . THR B 2 115 ? -55.866 26.763 29.637 1.00 193.65 ? 616 THR B CG2 1 ATOM 2904 N N . LYS B 2 116 ? -51.412 27.064 30.453 1.00 172.64 ? 617 LYS B N 1 ATOM 2905 C CA . LYS B 2 116 ? -50.240 26.927 31.305 1.00 167.44 ? 617 LYS B CA 1 ATOM 2906 C C . LYS B 2 116 ? -49.533 28.257 31.519 1.00 180.23 ? 617 LYS B C 1 ATOM 2907 O O . LYS B 2 116 ? -48.730 28.375 32.448 1.00 177.58 ? 617 LYS B O 1 ATOM 2908 C CB . LYS B 2 116 ? -49.265 25.903 30.723 1.00 165.45 ? 617 LYS B CB 1 ATOM 2909 C CG . LYS B 2 116 ? -48.410 25.222 31.780 1.00 168.92 ? 617 LYS B CG 1 ATOM 2910 C CD . LYS B 2 116 ? -49.234 24.227 32.588 1.00 167.72 ? 617 LYS B CD 1 ATOM 2911 C CE . LYS B 2 116 ? -48.551 23.846 33.895 1.00 163.38 ? 617 LYS B CE 1 ATOM 2912 N NZ . LYS B 2 116 ? -48.926 24.757 35.016 1.00 159.36 ? 617 LYS B NZ 1 ATOM 2913 N N . ASN B 2 117 ? -49.806 29.258 30.681 1.00 196.75 ? 618 ASN B N 1 ATOM 2914 C CA . ASN B 2 117 ? -49.331 30.604 30.973 1.00 198.43 ? 618 ASN B CA 1 ATOM 2915 C C . ASN B 2 117 ? -50.153 31.257 32.075 1.00 189.26 ? 618 ASN B C 1 ATOM 2916 O O . ASN B 2 117 ? -49.614 32.039 32.866 1.00 189.69 ? 618 ASN B O 1 ATOM 2917 C CB . ASN B 2 117 ? -49.368 31.467 29.710 1.00 209.59 ? 618 ASN B CB 1 ATOM 2918 C CG . ASN B 2 117 ? -48.585 32.755 29.869 1.00 238.84 ? 618 ASN B CG 1 ATOM 2919 O OD1 . ASN B 2 117 ? -49.160 33.823 30.082 1.00 223.71 ? 618 ASN B OD1 1 ATOM 2920 N ND2 . ASN B 2 117 ? -47.257 32.645 29.768 1.00 296.60 ? 618 ASN B ND2 1 ATOM 2921 N N . ILE B 2 118 ? -51.444 30.946 32.143 1.00 179.53 ? 619 ILE B N 1 ATOM 2922 C CA . ILE B 2 118 ? -52.319 31.515 33.162 1.00 178.92 ? 619 ILE B CA 1 ATOM 2923 C C . ILE B 2 118 ? -52.437 30.593 34.370 1.00 186.48 ? 619 ILE B C 1 ATOM 2924 O O . ILE B 2 118 ? -52.519 31.062 35.507 1.00 172.67 ? 619 ILE B O 1 ATOM 2925 C CB . ILE B 2 118 ? -53.698 31.828 32.548 1.00 167.66 ? 619 ILE B CB 1 ATOM 2926 C CG1 . ILE B 2 118 ? -53.539 32.730 31.322 1.00 171.31 ? 619 ILE B CG1 1 ATOM 2927 C CG2 . ILE B 2 118 ? -54.613 32.487 33.572 1.00 166.45 ? 619 ILE B CG2 1 ATOM 2928 C CD1 . ILE B 2 118 ? -52.869 34.053 31.619 1.00 173.60 ? 619 ILE B CD1 1 ATOM 2929 N N . THR B 2 119 ? -52.447 29.275 34.154 1.00 203.86 ? 620 THR B N 1 ATOM 2930 C CA . THR B 2 119 ? -52.513 28.343 35.273 1.00 199.89 ? 620 THR B CA 1 ATOM 2931 C C . THR B 2 119 ? -51.169 28.163 35.970 1.00 201.55 ? 620 THR B C 1 ATOM 2932 O O . THR B 2 119 ? -51.123 27.538 37.034 1.00 208.18 ? 620 THR B O 1 ATOM 2933 C CB . THR B 2 119 ? -53.046 26.981 34.814 1.00 192.10 ? 620 THR B CB 1 ATOM 2934 O OG1 . THR B 2 119 ? -53.663 26.313 35.922 1.00 186.58 ? 620 THR B OG1 1 ATOM 2935 C CG2 . THR B 2 119 ? -51.922 26.111 34.287 1.00 190.59 ? 620 THR B CG2 1 ATOM 2936 N N . ASP B 2 120 ? -50.079 28.678 35.396 1.00 211.46 ? 621 ASP B N 1 ATOM 2937 C CA . ASP B 2 120 ? -48.838 28.799 36.154 1.00 204.33 ? 621 ASP B CA 1 ATOM 2938 C C . ASP B 2 120 ? -48.851 30.044 37.027 1.00 201.92 ? 621 ASP B C 1 ATOM 2939 O O . ASP B 2 120 ? -48.182 30.079 38.065 1.00 210.28 ? 621 ASP B O 1 ATOM 2940 C CB . ASP B 2 120 ? -47.633 28.829 35.212 1.00 202.31 ? 621 ASP B CB 1 ATOM 2941 C CG . ASP B 2 120 ? -46.320 29.025 35.944 1.00 205.83 ? 621 ASP B CG 1 ATOM 2942 O OD1 . ASP B 2 120 ? -45.977 28.174 36.790 1.00 208.45 ? 621 ASP B OD1 1 ATOM 2943 O OD2 . ASP B 2 120 ? -45.629 30.029 35.669 1.00 207.25 ? 621 ASP B OD2 1 ATOM 2944 N N . LYS B 2 121 ? -49.609 31.063 36.625 1.00 191.64 ? 622 LYS B N 1 ATOM 2945 C CA . LYS B 2 121 ? -49.779 32.275 37.409 1.00 185.27 ? 622 LYS B CA 1 ATOM 2946 C C . LYS B 2 121 ? -50.955 32.188 38.373 1.00 186.12 ? 622 LYS B C 1 ATOM 2947 O O . LYS B 2 121 ? -51.438 33.225 38.842 1.00 183.47 ? 622 LYS B O 1 ATOM 2948 C CB . LYS B 2 121 ? -49.930 33.485 36.485 1.00 178.20 ? 622 LYS B CB 1 ATOM 2949 C CG . LYS B 2 121 ? -48.604 33.994 35.939 1.00 178.66 ? 622 LYS B CG 1 ATOM 2950 C CD . LYS B 2 121 ? -48.800 35.056 34.869 1.00 179.33 ? 622 LYS B CD 1 ATOM 2951 C CE . LYS B 2 121 ? -49.741 36.154 35.340 1.00 176.93 ? 622 LYS B CE 1 ATOM 2952 N NZ . LYS B 2 121 ? -49.276 36.789 36.604 1.00 175.78 ? 622 LYS B NZ 1 ATOM 2953 N N . ILE B 2 122 ? -51.437 30.977 38.666 1.00 187.26 ? 623 ILE B N 1 ATOM 2954 C CA . ILE B 2 122 ? -52.321 30.806 39.813 1.00 181.52 ? 623 ILE B CA 1 ATOM 2955 C C . ILE B 2 122 ? -51.589 31.201 41.087 1.00 179.72 ? 623 ILE B C 1 ATOM 2956 O O . ILE B 2 122 ? -52.142 31.888 41.954 1.00 170.60 ? 623 ILE B O 1 ATOM 2957 C CB . ILE B 2 122 ? -52.848 29.360 39.886 1.00 180.63 ? 623 ILE B CB 1 ATOM 2958 C CG1 . ILE B 2 122 ? -51.683 28.369 39.947 1.00 181.14 ? 623 ILE B CG1 1 ATOM 2959 C CG2 . ILE B 2 122 ? -53.745 29.058 38.696 1.00 180.07 ? 623 ILE B CG2 1 ATOM 2960 C CD1 . ILE B 2 122 ? -52.020 27.040 40.559 1.00 173.34 ? 623 ILE B CD1 1 ATOM 2961 N N . ASP B 2 123 ? -50.324 30.801 41.202 1.00 193.45 ? 624 ASP B N 1 ATOM 2962 C CA . ASP B 2 123 ? -49.466 31.130 42.338 1.00 204.26 ? 624 ASP B CA 1 ATOM 2963 C C . ASP B 2 123 ? -48.643 32.383 42.085 1.00 211.98 ? 624 ASP B C 1 ATOM 2964 O O . ASP B 2 123 ? -47.487 32.480 42.507 1.00 212.29 ? 624 ASP B O 1 ATOM 2965 C CB . ASP B 2 123 ? -48.570 29.940 42.668 1.00 208.13 ? 624 ASP B CB 1 ATOM 2966 C CG . ASP B 2 123 ? -47.907 29.348 41.438 1.00 209.89 ? 624 ASP B CG 1 ATOM 2967 O OD1 . ASP B 2 123 ? -46.677 29.502 41.286 1.00 212.35 ? 624 ASP B OD1 1 ATOM 2968 O OD2 . ASP B 2 123 ? -48.619 28.733 40.617 1.00 207.40 ? 624 ASP B OD2 1 ATOM 2969 N N . GLN B 2 124 ? -49.218 33.350 41.374 1.00 217.02 ? 625 GLN B N 1 ATOM 2970 C CA . GLN B 2 124 ? -48.642 34.681 41.265 1.00 217.67 ? 625 GLN B CA 1 ATOM 2971 C C . GLN B 2 124 ? -49.283 35.669 42.228 1.00 213.75 ? 625 GLN B C 1 ATOM 2972 O O . GLN B 2 124 ? -48.703 36.731 42.482 1.00 211.94 ? 625 GLN B O 1 ATOM 2973 C CB . GLN B 2 124 ? -48.778 35.209 39.830 1.00 216.28 ? 625 GLN B CB 1 ATOM 2974 C CG . GLN B 2 124 ? -47.932 36.439 39.520 1.00 217.03 ? 625 GLN B CG 1 ATOM 2975 C CD . GLN B 2 124 ? -46.473 36.103 39.282 1.00 218.49 ? 625 GLN B CD 1 ATOM 2976 O OE1 . GLN B 2 124 ? -46.150 35.061 38.711 1.00 217.84 ? 625 GLN B OE1 1 ATOM 2977 N NE2 . GLN B 2 124 ? -45.582 36.986 39.719 1.00 219.63 ? 625 GLN B NE2 1 ATOM 2978 N N . ILE B 2 125 ? -50.455 35.340 42.773 1.00 212.67 ? 626 ILE B N 1 ATOM 2979 C CA . ILE B 2 125 ? -51.162 36.223 43.693 1.00 209.52 ? 626 ILE B CA 1 ATOM 2980 C C . ILE B 2 125 ? -51.851 35.404 44.782 1.00 209.68 ? 626 ILE B C 1 ATOM 2981 O O . ILE B 2 125 ? -51.998 35.867 45.919 1.00 207.07 ? 626 ILE B O 1 ATOM 2982 C CB . ILE B 2 125 ? -52.146 37.131 42.927 1.00 198.60 ? 626 ILE B CB 1 ATOM 2983 C CG1 . ILE B 2 125 ? -51.382 38.319 42.338 1.00 188.40 ? 626 ILE B CG1 1 ATOM 2984 C CG2 . ILE B 2 125 ? -53.275 37.623 43.821 1.00 195.15 ? 626 ILE B CG2 1 ATOM 2985 C CD1 . ILE B 2 125 ? -52.216 39.258 41.533 1.00 178.70 ? 626 ILE B CD1 1 ATOM 2986 N N . ILE B 2 126 ? -52.241 34.166 44.467 1.00 207.91 ? 627 ILE B N 1 ATOM 2987 C CA . ILE B 2 126 ? -52.851 33.331 45.500 1.00 199.63 ? 627 ILE B CA 1 ATOM 2988 C C . ILE B 2 126 ? -51.817 32.751 46.458 1.00 202.27 ? 627 ILE B C 1 ATOM 2989 O O . ILE B 2 126 ? -52.175 32.362 47.577 1.00 197.48 ? 627 ILE B O 1 ATOM 2990 C CB . ILE B 2 126 ? -53.693 32.187 44.906 1.00 187.04 ? 627 ILE B CB 1 ATOM 2991 C CG1 . ILE B 2 126 ? -54.898 31.905 45.806 1.00 173.64 ? 627 ILE B CG1 1 ATOM 2992 C CG2 . ILE B 2 126 ? -52.870 30.913 44.768 1.00 189.55 ? 627 ILE B CG2 1 ATOM 2993 C CD1 . ILE B 2 126 ? -55.682 30.666 45.422 1.00 166.29 ? 627 ILE B CD1 1 ATOM 2994 N N . HIS B 2 127 ? -50.543 32.684 46.067 1.00 212.75 ? 628 HIS B N 1 ATOM 2995 C CA . HIS B 2 127 ? -49.529 32.128 46.956 1.00 220.63 ? 628 HIS B CA 1 ATOM 2996 C C . HIS B 2 127 ? -48.633 33.184 47.588 1.00 227.18 ? 628 HIS B C 1 ATOM 2997 O O . HIS B 2 127 ? -48.236 33.029 48.746 1.00 237.55 ? 628 HIS B O 1 ATOM 2998 C CB . HIS B 2 127 ? -48.658 31.101 46.229 1.00 221.99 ? 628 HIS B CB 1 ATOM 2999 C CG . HIS B 2 127 ? -47.740 30.354 47.145 1.00 228.76 ? 628 HIS B CG 1 ATOM 3000 N ND1 . HIS B 2 127 ? -48.179 29.747 48.302 1.00 230.02 ? 628 HIS B ND1 1 ATOM 3001 C CD2 . HIS B 2 127 ? -46.406 30.131 47.087 1.00 232.63 ? 628 HIS B CD2 1 ATOM 3002 C CE1 . HIS B 2 127 ? -47.157 29.176 48.913 1.00 232.00 ? 628 HIS B CE1 1 ATOM 3003 N NE2 . HIS B 2 127 ? -46.069 29.394 48.196 1.00 233.63 ? 628 HIS B NE2 1 ATOM 3004 N N . ASP B 2 128 ? -48.288 34.252 46.872 1.00 217.17 ? 629 ASP B N 1 ATOM 3005 C CA . ASP B 2 128 ? -47.586 35.364 47.514 1.00 213.76 ? 629 ASP B CA 1 ATOM 3006 C C . ASP B 2 128 ? -48.591 36.337 48.132 1.00 216.75 ? 629 ASP B C 1 ATOM 3007 O O . ASP B 2 128 ? -48.571 37.550 47.924 1.00 215.73 ? 629 ASP B O 1 ATOM 3008 C CB . ASP B 2 128 ? -46.637 36.049 46.530 1.00 210.24 ? 629 ASP B CB 1 ATOM 3009 C CG . ASP B 2 128 ? -47.355 36.811 45.440 1.00 206.76 ? 629 ASP B CG 1 ATOM 3010 O OD1 . ASP B 2 128 ? -46.750 37.749 44.877 1.00 207.48 ? 629 ASP B OD1 1 ATOM 3011 O OD2 . ASP B 2 128 ? -48.524 36.489 45.167 1.00 203.83 ? 629 ASP B OD2 1 ATOM 3012 N N . PHE B 2 129 ? -49.497 35.754 48.911 1.00 220.68 ? 630 PHE B N 1 ATOM 3013 C CA . PHE B 2 129 ? -50.558 36.473 49.612 1.00 211.71 ? 630 PHE B CA 1 ATOM 3014 C C . PHE B 2 129 ? -50.186 36.633 51.085 1.00 197.98 ? 630 PHE B C 1 ATOM 3015 O O . PHE B 2 129 ? -50.871 36.152 51.990 1.00 194.92 ? 630 PHE B O 1 ATOM 3016 C CB . PHE B 2 129 ? -51.883 35.730 49.444 1.00 205.90 ? 630 PHE B CB 1 ATOM 3017 C CG . PHE B 2 129 ? -53.101 36.554 49.757 1.00 196.79 ? 630 PHE B CG 1 ATOM 3018 C CD1 . PHE B 2 129 ? -53.610 37.444 48.826 1.00 189.77 ? 630 PHE B CD1 1 ATOM 3019 C CD2 . PHE B 2 129 ? -53.758 36.413 50.970 1.00 188.80 ? 630 PHE B CD2 1 ATOM 3020 C CE1 . PHE B 2 129 ? -54.738 38.195 49.106 1.00 184.85 ? 630 PHE B CE1 1 ATOM 3021 C CE2 . PHE B 2 129 ? -54.884 37.160 51.257 1.00 182.08 ? 630 PHE B CE2 1 ATOM 3022 C CZ . PHE B 2 129 ? -55.375 38.052 50.324 1.00 182.91 ? 630 PHE B CZ 1 ATOM 3023 N N . VAL B 2 130 ? -49.061 37.303 51.314 1.00 183.97 ? 631 VAL B N 1 ATOM 3024 C CA . VAL B 2 130 ? -48.510 37.456 52.656 1.00 179.89 ? 631 VAL B CA 1 ATOM 3025 C C . VAL B 2 130 ? -49.385 38.376 53.497 1.00 175.66 ? 631 VAL B C 1 ATOM 3026 O O . VAL B 2 130 ? -49.418 39.587 53.279 1.00 174.01 ? 631 VAL B O 1 ATOM 3027 C CB . VAL B 2 130 ? -47.065 37.981 52.603 1.00 180.87 ? 631 VAL B CB 1 ATOM 3028 C CG1 . VAL B 2 130 ? -46.474 38.047 54.003 1.00 178.58 ? 631 VAL B CG1 1 ATOM 3029 C CG2 . VAL B 2 130 ? -46.215 37.104 51.698 1.00 180.80 ? 631 VAL B CG2 1 HETATM 3030 C C1 . NAG C 3 . ? -63.406 4.062 -14.356 1.00 59.88 ? 1 NAG C C1 1 HETATM 3031 C C2 . NAG C 3 . ? -63.693 4.366 -15.824 1.00 64.87 ? 1 NAG C C2 1 HETATM 3032 C C3 . NAG C 3 . ? -64.897 3.561 -16.313 1.00 67.89 ? 1 NAG C C3 1 HETATM 3033 C C4 . NAG C 3 . ? -64.711 2.074 -16.025 1.00 71.74 ? 1 NAG C C4 1 HETATM 3034 C C5 . NAG C 3 . ? -64.358 1.862 -14.553 1.00 75.73 ? 1 NAG C C5 1 HETATM 3035 C C6 . NAG C 3 . ? -64.012 0.428 -14.227 1.00 74.58 ? 1 NAG C C6 1 HETATM 3036 C C7 . NAG C 3 . ? -63.178 6.509 -16.892 1.00 75.57 ? 1 NAG C C7 1 HETATM 3037 C C8 . NAG C 3 . ? -63.537 7.960 -17.002 1.00 62.23 ? 1 NAG C C8 1 HETATM 3038 N N2 . NAG C 3 . ? -63.910 5.787 -16.040 1.00 72.31 ? 1 NAG C N2 1 HETATM 3039 O O3 . NAG C 3 . ? -65.045 3.799 -17.708 1.00 74.17 ? 1 NAG C O3 1 HETATM 3040 O O4 . NAG C 3 . ? -65.911 1.349 -16.287 1.00 87.30 ? 1 NAG C O4 1 HETATM 3041 O O5 . NAG C 3 . ? -63.218 2.655 -14.187 1.00 67.70 ? 1 NAG C O5 1 HETATM 3042 O O6 . NAG C 3 . ? -62.771 0.052 -14.806 1.00 72.78 ? 1 NAG C O6 1 HETATM 3043 O O7 . NAG C 3 . ? -62.260 6.015 -17.539 1.00 70.22 ? 1 NAG C O7 1 HETATM 3044 C C1 . NAG C 3 . ? -66.168 1.039 -17.685 1.00 111.76 ? 2 NAG C C1 1 HETATM 3045 C C2 . NAG C 3 . ? -66.408 -0.462 -17.859 1.00 122.16 ? 2 NAG C C2 1 HETATM 3046 C C3 . NAG C 3 . ? -66.725 -0.774 -19.318 1.00 128.15 ? 2 NAG C C3 1 HETATM 3047 C C4 . NAG C 3 . ? -67.901 0.065 -19.803 1.00 135.06 ? 2 NAG C C4 1 HETATM 3048 C C5 . NAG C 3 . ? -67.654 1.549 -19.528 1.00 125.85 ? 2 NAG C C5 1 HETATM 3049 C C6 . NAG C 3 . ? -68.866 2.405 -19.816 1.00 117.25 ? 2 NAG C C6 1 HETATM 3050 C C7 . NAG C 3 . ? -65.319 -2.094 -16.388 1.00 120.50 ? 2 NAG C C7 1 HETATM 3051 C C8 . NAG C 3 . ? -64.044 -2.808 -16.057 1.00 117.50 ? 2 NAG C C8 1 HETATM 3052 N N2 . NAG C 3 . ? -65.260 -1.232 -17.408 1.00 121.56 ? 2 NAG C N2 1 HETATM 3053 O O3 . NAG C 3 . ? -67.029 -2.158 -19.452 1.00 128.23 ? 2 NAG C O3 1 HETATM 3054 O O4 . NAG C 3 . ? -68.067 -0.115 -21.206 1.00 144.59 ? 2 NAG C O4 1 HETATM 3055 O O5 . NAG C 3 . ? -67.325 1.762 -18.145 1.00 123.67 ? 2 NAG C O5 1 HETATM 3056 O O6 . NAG C 3 . ? -68.520 3.777 -19.946 1.00 114.02 ? 2 NAG C O6 1 HETATM 3057 O O7 . NAG C 3 . ? -66.355 -2.286 -15.759 1.00 115.95 ? 2 NAG C O7 1 HETATM 3058 C C1 . BMA C 3 . ? -69.307 -0.785 -21.528 1.00 145.79 ? 3 BMA C C1 1 HETATM 3059 C C2 . BMA C 3 . ? -69.645 -0.459 -23.008 1.00 142.45 ? 3 BMA C C2 1 HETATM 3060 C C3 . BMA C 3 . ? -70.824 -1.301 -23.526 1.00 147.66 ? 3 BMA C C3 1 HETATM 3061 C C4 . BMA C 3 . ? -70.714 -2.781 -23.108 1.00 143.77 ? 3 BMA C C4 1 HETATM 3062 C C5 . BMA C 3 . ? -70.408 -2.910 -21.609 1.00 149.27 ? 3 BMA C C5 1 HETATM 3063 C C6 . BMA C 3 . ? -70.190 -4.352 -21.196 1.00 157.46 ? 3 BMA C C6 1 HETATM 3064 O O2 . BMA C 3 . ? -68.539 -0.753 -23.852 1.00 138.68 ? 3 BMA C O2 1 HETATM 3065 O O3 . BMA C 3 . ? -70.911 -1.208 -24.952 1.00 162.18 ? 3 BMA C O3 1 HETATM 3066 O O4 . BMA C 3 . ? -71.930 -3.461 -23.394 1.00 132.94 ? 3 BMA C O4 1 HETATM 3067 O O5 . BMA C 3 . ? -69.203 -2.183 -21.323 1.00 146.04 ? 3 BMA C O5 1 HETATM 3068 O O6 . BMA C 3 . ? -69.112 -4.863 -21.971 1.00 167.16 ? 3 BMA C O6 1 HETATM 3069 C C1 . MAN C 3 . ? -72.263 -0.940 -25.388 1.00 171.40 ? 4 MAN C C1 1 HETATM 3070 C C2 . MAN C 3 . ? -72.273 -1.036 -26.944 1.00 173.95 ? 4 MAN C C2 1 HETATM 3071 C C3 . MAN C 3 . ? -71.569 0.178 -27.552 1.00 163.27 ? 4 MAN C C3 1 HETATM 3072 C C4 . MAN C 3 . ? -72.158 1.477 -26.994 1.00 162.37 ? 4 MAN C C4 1 HETATM 3073 C C5 . MAN C 3 . ? -72.013 1.477 -25.469 1.00 161.17 ? 4 MAN C C5 1 HETATM 3074 C C6 . MAN C 3 . ? -72.595 2.713 -24.813 1.00 143.96 ? 4 MAN C C6 1 HETATM 3075 O O2 . MAN C 3 . ? -73.605 -1.009 -27.463 1.00 180.01 ? 4 MAN C O2 1 HETATM 3076 O O3 . MAN C 3 . ? -71.633 0.176 -28.974 1.00 152.34 ? 4 MAN C O3 1 HETATM 3077 O O4 . MAN C 3 . ? -71.468 2.593 -27.535 1.00 152.46 ? 4 MAN C O4 1 HETATM 3078 O O5 . MAN C 3 . ? -72.712 0.329 -24.930 1.00 168.33 ? 4 MAN C O5 1 HETATM 3079 O O6 . MAN C 3 . ? -71.985 2.865 -23.535 1.00 130.87 ? 4 MAN C O6 1 HETATM 3080 C C1 . MAN C 3 . ? -69.186 -6.305 -22.012 1.00 174.54 ? 5 MAN C C1 1 HETATM 3081 C C2 . MAN C 3 . ? -67.840 -6.815 -22.620 1.00 173.64 ? 5 MAN C C2 1 HETATM 3082 C C3 . MAN C 3 . ? -67.848 -8.341 -22.801 1.00 184.67 ? 5 MAN C C3 1 HETATM 3083 C C4 . MAN C 3 . ? -69.264 -8.925 -22.682 1.00 187.44 ? 5 MAN C C4 1 HETATM 3084 C C5 . MAN C 3 . ? -70.243 -8.015 -23.433 1.00 178.78 ? 5 MAN C C5 1 HETATM 3085 C C6 . MAN C 3 . ? -71.645 -8.591 -23.511 1.00 173.24 ? 5 MAN C C6 1 HETATM 3086 O O2 . MAN C 3 . ? -66.740 -6.533 -21.751 1.00 162.87 ? 5 MAN C O2 1 HETATM 3087 O O3 . MAN C 3 . ? -66.959 -8.988 -21.893 1.00 191.13 ? 5 MAN C O3 1 HETATM 3088 O O4 . MAN C 3 . ? -69.300 -10.228 -23.241 1.00 195.08 ? 5 MAN C O4 1 HETATM 3089 O O5 . MAN C 3 . ? -70.333 -6.731 -22.756 1.00 176.60 ? 5 MAN C O5 1 HETATM 3090 O O6 . MAN C 3 . ? -72.119 -8.785 -22.181 1.00 164.93 ? 5 MAN C O6 1 HETATM 3091 C C1 . NAG D 4 . ? -38.552 -1.147 -40.500 1.00 75.39 ? 601 NAG A C1 1 HETATM 3092 C C2 . NAG D 4 . ? -38.449 0.120 -39.652 1.00 88.04 ? 601 NAG A C2 1 HETATM 3093 C C3 . NAG D 4 . ? -37.577 1.152 -40.357 1.00 87.79 ? 601 NAG A C3 1 HETATM 3094 C C4 . NAG D 4 . ? -36.215 0.552 -40.675 1.00 83.87 ? 601 NAG A C4 1 HETATM 3095 C C5 . NAG D 4 . ? -36.393 -0.726 -41.491 1.00 84.96 ? 601 NAG A C5 1 HETATM 3096 C C6 . NAG D 4 . ? -35.092 -1.445 -41.762 1.00 91.00 ? 601 NAG A C6 1 HETATM 3097 C C7 . NAG D 4 . ? -40.155 1.008 -38.130 1.00 101.93 ? 601 NAG A C7 1 HETATM 3098 C C8 . NAG D 4 . ? -41.540 1.567 -38.011 1.00 97.00 ? 601 NAG A C8 1 HETATM 3099 N N2 . NAG D 4 . ? -39.762 0.672 -39.364 1.00 98.32 ? 601 NAG A N2 1 HETATM 3100 O O3 . NAG D 4 . ? -37.435 2.306 -39.535 1.00 92.40 ? 601 NAG A O3 1 HETATM 3101 O O4 . NAG D 4 . ? -35.429 1.482 -41.410 1.00 91.50 ? 601 NAG A O4 1 HETATM 3102 O O5 . NAG D 4 . ? -37.235 -1.648 -40.781 1.00 88.53 ? 601 NAG A O5 1 HETATM 3103 O O6 . NAG D 4 . ? -34.169 -1.265 -40.697 1.00 92.20 ? 601 NAG A O6 1 HETATM 3104 O O7 . NAG D 4 . ? -39.425 0.864 -37.154 1.00 91.91 ? 601 NAG A O7 1 HETATM 3105 C C1 . NAG E 4 . ? -44.495 8.040 -48.657 1.00 115.28 ? 602 NAG A C1 1 HETATM 3106 C C2 . NAG E 4 . ? -43.157 8.669 -49.063 1.00 122.55 ? 602 NAG A C2 1 HETATM 3107 C C3 . NAG E 4 . ? -42.960 10.014 -48.365 1.00 127.14 ? 602 NAG A C3 1 HETATM 3108 C C4 . NAG E 4 . ? -44.159 10.922 -48.598 1.00 133.35 ? 602 NAG A C4 1 HETATM 3109 C C5 . NAG E 4 . ? -45.433 10.209 -48.163 1.00 138.91 ? 602 NAG A C5 1 HETATM 3110 C C6 . NAG E 4 . ? -46.685 11.007 -48.441 1.00 141.64 ? 602 NAG A C6 1 HETATM 3111 C C7 . NAG E 4 . ? -41.150 7.406 -49.674 1.00 134.58 ? 602 NAG A C7 1 HETATM 3112 C C8 . NAG E 4 . ? -40.069 6.483 -49.195 1.00 133.98 ? 602 NAG A C8 1 HETATM 3113 N N2 . NAG E 4 . ? -42.051 7.776 -48.761 1.00 132.31 ? 602 NAG A N2 1 HETATM 3114 O O3 . NAG E 4 . ? -41.779 10.631 -48.865 1.00 120.93 ? 602 NAG A O3 1 HETATM 3115 O O4 . NAG E 4 . ? -44.015 12.126 -47.852 1.00 136.05 ? 602 NAG A O4 1 HETATM 3116 O O5 . NAG E 4 . ? -45.561 8.976 -48.885 1.00 133.21 ? 602 NAG A O5 1 HETATM 3117 O O6 . NAG E 4 . ? -47.757 10.166 -48.844 1.00 142.28 ? 602 NAG A O6 1 HETATM 3118 O O7 . NAG E 4 . ? -41.206 7.795 -50.834 1.00 135.38 ? 602 NAG A O7 1 HETATM 3119 C C1 . NAG F 4 . ? -72.663 -1.858 -37.471 1.00 155.69 ? 603 NAG A C1 1 HETATM 3120 C C2 . NAG F 4 . ? -74.174 -1.759 -37.750 1.00 172.99 ? 603 NAG A C2 1 HETATM 3121 C C3 . NAG F 4 . ? -74.785 -3.143 -37.930 1.00 175.64 ? 603 NAG A C3 1 HETATM 3122 C C4 . NAG F 4 . ? -73.837 -4.027 -38.724 1.00 171.08 ? 603 NAG A C4 1 HETATM 3123 C C5 . NAG F 4 . ? -72.610 -4.322 -37.873 1.00 166.74 ? 603 NAG A C5 1 HETATM 3124 C C6 . NAG F 4 . ? -71.363 -4.575 -38.687 1.00 156.27 ? 603 NAG A C6 1 HETATM 3125 C C7 . NAG F 4 . ? -75.858 -0.177 -36.924 1.00 186.56 ? 603 NAG A C7 1 HETATM 3126 C C8 . NAG F 4 . ? -76.449 0.486 -35.717 1.00 184.85 ? 603 NAG A C8 1 HETATM 3127 N N2 . NAG F 4 . ? -74.857 -1.032 -36.692 1.00 184.52 ? 603 NAG A N2 1 HETATM 3128 O O3 . NAG F 4 . ? -76.028 -3.027 -38.614 1.00 177.04 ? 603 NAG A O3 1 HETATM 3129 O O4 . NAG F 4 . ? -74.479 -5.251 -39.064 1.00 170.71 ? 603 NAG A O4 1 HETATM 3130 O O5 . NAG F 4 . ? -72.324 -3.218 -36.996 1.00 167.24 ? 603 NAG A O5 1 HETATM 3131 O O6 . NAG F 4 . ? -70.494 -5.488 -38.030 1.00 145.30 ? 603 NAG A O6 1 HETATM 3132 O O7 . NAG F 4 . ? -76.269 0.050 -38.058 1.00 186.48 ? 603 NAG A O7 1 HETATM 3133 C C1 . NAG G 4 . ? -39.454 -9.119 -55.135 1.00 145.33 ? 604 NAG A C1 1 HETATM 3134 C C2 . NAG G 4 . ? -38.311 -9.743 -54.330 1.00 165.38 ? 604 NAG A C2 1 HETATM 3135 C C3 . NAG G 4 . ? -38.690 -11.148 -53.867 1.00 173.73 ? 604 NAG A C3 1 HETATM 3136 C C4 . NAG G 4 . ? -40.018 -11.126 -53.122 1.00 170.95 ? 604 NAG A C4 1 HETATM 3137 C C5 . NAG G 4 . ? -41.089 -10.480 -53.992 1.00 157.44 ? 604 NAG A C5 1 HETATM 3138 C C6 . NAG G 4 . ? -42.417 -10.335 -53.287 1.00 143.91 ? 604 NAG A C6 1 HETATM 3139 C C7 . NAG G 4 . ? -35.873 -9.855 -54.562 1.00 146.84 ? 604 NAG A C7 1 HETATM 3140 C C8 . NAG G 4 . ? -34.720 -9.879 -55.515 1.00 139.52 ? 604 NAG A C8 1 HETATM 3141 N N2 . NAG G 4 . ? -37.087 -9.778 -55.114 1.00 158.76 ? 604 NAG A N2 1 HETATM 3142 O O3 . NAG G 4 . ? -37.667 -11.664 -53.022 1.00 175.37 ? 604 NAG A O3 1 HETATM 3143 O O4 . NAG G 4 . ? -40.412 -12.451 -52.784 1.00 179.77 ? 604 NAG A O4 1 HETATM 3144 O O5 . NAG G 4 . ? -40.670 -9.159 -54.363 1.00 157.60 ? 604 NAG A O5 1 HETATM 3145 O O6 . NAG G 4 . ? -43.255 -9.403 -53.954 1.00 144.74 ? 604 NAG A O6 1 HETATM 3146 O O7 . NAG G 4 . ? -35.715 -9.906 -53.348 1.00 140.71 ? 604 NAG A O7 1 HETATM 3147 C C1 . GOL H 5 . ? -63.844 21.035 -37.025 1.00 106.95 ? 605 GOL A C1 1 HETATM 3148 O O1 . GOL H 5 . ? -65.070 20.796 -36.408 1.00 116.29 ? 605 GOL A O1 1 HETATM 3149 C C2 . GOL H 5 . ? -63.688 19.970 -38.136 1.00 93.40 ? 605 GOL A C2 1 HETATM 3150 O O2 . GOL H 5 . ? -64.661 20.091 -39.119 1.00 100.60 ? 605 GOL A O2 1 HETATM 3151 C C3 . GOL H 5 . ? -62.261 20.182 -38.687 1.00 86.01 ? 605 GOL A C3 1 HETATM 3152 O O3 . GOL H 5 . ? -62.157 21.527 -39.037 1.00 93.37 ? 605 GOL A O3 1 HETATM 3153 C C1 . GOL I 5 . ? -70.194 21.902 -31.489 1.00 98.91 ? 606 GOL A C1 1 HETATM 3154 O O1 . GOL I 5 . ? -70.885 21.675 -32.679 1.00 88.09 ? 606 GOL A O1 1 HETATM 3155 C C2 . GOL I 5 . ? -70.269 23.416 -31.213 1.00 108.09 ? 606 GOL A C2 1 HETATM 3156 O O2 . GOL I 5 . ? -69.084 23.897 -30.675 1.00 109.26 ? 606 GOL A O2 1 HETATM 3157 C C3 . GOL I 5 . ? -71.459 23.576 -30.239 1.00 111.25 ? 606 GOL A C3 1 HETATM 3158 O O3 . GOL I 5 . ? -71.483 24.915 -29.852 1.00 107.57 ? 606 GOL A O3 1 HETATM 3159 C C10 . GKZ J 6 . ? -45.507 10.598 1.572 1.00 156.85 ? 607 GKZ A C10 1 HETATM 3160 C C15 . GKZ J 6 . ? -44.738 10.265 3.798 1.00 163.51 ? 607 GKZ A C15 1 HETATM 3161 C C20 . GKZ J 6 . ? -44.426 9.947 8.909 1.00 186.10 ? 607 GKZ A C20 1 HETATM 3162 C C21 . GKZ J 6 . ? -43.937 11.076 8.129 1.00 182.03 ? 607 GKZ A C21 1 HETATM 3163 C C22 . GKZ J 6 . ? -44.732 11.369 6.842 1.00 179.29 ? 607 GKZ A C22 1 HETATM 3164 C C26 . GKZ J 6 . ? -47.383 12.127 -3.107 1.00 156.45 ? 607 GKZ A C26 1 HETATM 3165 C C28 . GKZ J 6 . ? -49.609 11.342 -2.547 1.00 151.76 ? 607 GKZ A C28 1 HETATM 3166 C C01 . GKZ J 6 . ? -46.577 14.397 -5.147 1.00 130.58 ? 607 GKZ A C01 1 HETATM 3167 C C02 . GKZ J 6 . ? -45.888 14.053 -3.791 1.00 149.88 ? 607 GKZ A C02 1 HETATM 3168 C C03 . GKZ J 6 . ? -46.287 13.026 -2.905 1.00 159.44 ? 607 GKZ A C03 1 HETATM 3169 C C04 . GKZ J 6 . ? -45.395 13.060 -1.811 1.00 164.48 ? 607 GKZ A C04 1 HETATM 3170 C C07 . GKZ J 6 . ? -45.427 12.232 -0.702 1.00 165.35 ? 607 GKZ A C07 1 HETATM 3171 C C08 . GKZ J 6 . ? -45.525 10.843 -0.840 1.00 161.09 ? 607 GKZ A C08 1 HETATM 3172 C C09 . GKZ J 6 . ? -45.566 10.025 0.297 1.00 157.98 ? 607 GKZ A C09 1 HETATM 3173 C C11 . GKZ J 6 . ? -45.411 11.987 1.710 1.00 161.09 ? 607 GKZ A C11 1 HETATM 3174 C C12 . GKZ J 6 . ? -45.372 12.803 0.579 1.00 161.71 ? 607 GKZ A C12 1 HETATM 3175 C C16 . GKZ J 6 . ? -45.645 10.437 5.070 1.00 173.28 ? 607 GKZ A C16 1 HETATM 3176 C C18 . GKZ J 6 . ? -45.668 9.201 6.878 1.00 181.41 ? 607 GKZ A C18 1 HETATM 3177 C C19 . GKZ J 6 . ? -44.823 8.818 8.122 1.00 187.62 ? 607 GKZ A C19 1 HETATM 3178 C C23 . GKZ J 6 . ? -45.626 10.390 9.833 1.00 183.10 ? 607 GKZ A C23 1 HETATM 3179 C C27 . GKZ J 6 . ? -48.546 12.235 -2.335 1.00 153.66 ? 607 GKZ A C27 1 HETATM 3180 C C29 . GKZ J 6 . ? -49.505 10.352 -3.524 1.00 150.64 ? 607 GKZ A C29 1 HETATM 3181 C C30 . GKZ J 6 . ? -48.343 10.246 -4.293 1.00 148.15 ? 607 GKZ A C30 1 HETATM 3182 C C31 . GKZ J 6 . ? -47.284 11.135 -4.081 1.00 150.21 ? 607 GKZ A C31 1 HETATM 3183 N N05 . GKZ J 6 . ? -44.511 14.072 -2.037 1.00 161.14 ? 607 GKZ A N05 1 HETATM 3184 N N06 . GKZ J 6 . ? -44.813 14.673 -3.245 1.00 155.37 ? 607 GKZ A N06 1 HETATM 3185 N N17 . GKZ J 6 . ? -44.995 10.178 6.086 1.00 178.21 ? 607 GKZ A N17 1 HETATM 3186 N N25 . GKZ J 6 . ? -45.944 9.600 11.051 1.00 178.74 ? 607 GKZ A N25 1 HETATM 3187 O O13 . GKZ J 6 . ? -45.272 14.221 0.730 1.00 152.96 ? 607 GKZ A O13 1 HETATM 3188 O O14 . GKZ J 6 . ? -45.547 9.782 2.724 1.00 155.52 ? 607 GKZ A O14 1 HETATM 3189 O O24 . GKZ J 6 . ? -46.280 11.348 9.565 1.00 180.95 ? 607 GKZ A O24 1 HETATM 3190 CL CL . GKZ J 6 . ? -50.845 9.228 -3.791 1.00 146.68 ? 607 GKZ A CL 1 HETATM 3191 S S . DMS K 7 . ? -36.698 10.953 -28.782 1.00 173.97 ? 608 DMS A S 1 HETATM 3192 O O . DMS K 7 . ? -36.657 9.884 -29.826 1.00 173.39 ? 608 DMS A O 1 HETATM 3193 C C1 . DMS K 7 . ? -35.115 11.840 -28.761 1.00 168.82 ? 608 DMS A C1 1 HETATM 3194 C C2 . DMS K 7 . ? -37.800 12.287 -29.327 1.00 160.47 ? 608 DMS A C2 1 HETATM 3195 C C1 . NAG L 4 . ? -46.178 33.613 29.865 1.00 169.93 ? 701 NAG B C1 1 HETATM 3196 C C2 . NAG L 4 . ? -46.492 35.004 30.449 1.00 199.22 ? 701 NAG B C2 1 HETATM 3197 C C3 . NAG L 4 . ? -45.216 35.841 30.558 1.00 210.14 ? 701 NAG B C3 1 HETATM 3198 C C4 . NAG L 4 . ? -44.129 35.077 31.302 1.00 208.85 ? 701 NAG B C4 1 HETATM 3199 C C5 . NAG L 4 . ? -43.903 33.724 30.641 1.00 197.14 ? 701 NAG B C5 1 HETATM 3200 C C6 . NAG L 4 . ? -42.893 32.868 31.368 1.00 188.76 ? 701 NAG B C6 1 HETATM 3201 C C7 . NAG L 4 . ? -48.196 36.737 30.063 1.00 202.68 ? 701 NAG B C7 1 HETATM 3202 C C8 . NAG L 4 . ? -49.167 37.318 29.080 1.00 193.22 ? 701 NAG B C8 1 HETATM 3203 N N2 . NAG L 4 . ? -47.482 35.691 29.633 1.00 204.95 ? 701 NAG B N2 1 HETATM 3204 O O3 . NAG L 4 . ? -45.498 37.057 31.241 1.00 214.87 ? 701 NAG B O3 1 HETATM 3205 O O4 . NAG L 4 . ? -42.913 35.816 31.288 1.00 213.38 ? 701 NAG B O4 1 HETATM 3206 O O5 . NAG L 4 . ? -45.134 32.991 30.631 1.00 188.57 ? 701 NAG B O5 1 HETATM 3207 O O6 . NAG L 4 . ? -42.570 31.703 30.622 1.00 181.28 ? 701 NAG B O6 1 HETATM 3208 O O7 . NAG L 4 . ? -48.064 37.194 31.194 1.00 205.00 ? 701 NAG B O7 1 HETATM 3209 C C1 . GOL M 5 . ? -67.123 8.404 -12.882 1.00 91.27 ? 702 GOL B C1 1 HETATM 3210 O O1 . GOL M 5 . ? -66.043 9.134 -12.394 1.00 79.63 ? 702 GOL B O1 1 HETATM 3211 C C2 . GOL M 5 . ? -66.550 7.291 -13.775 1.00 99.36 ? 702 GOL B C2 1 HETATM 3212 O O2 . GOL M 5 . ? -65.215 7.033 -13.491 1.00 98.62 ? 702 GOL B O2 1 HETATM 3213 C C3 . GOL M 5 . ? -67.458 6.074 -13.493 1.00 109.26 ? 702 GOL B C3 1 HETATM 3214 O O3 . GOL M 5 . ? -67.184 5.133 -14.481 1.00 105.93 ? 702 GOL B O3 1 HETATM 3215 C C1 . GOL N 5 . ? -66.330 23.309 -0.934 1.00 119.09 ? 703 GOL B C1 1 HETATM 3216 O O1 . GOL N 5 . ? -67.713 23.294 -0.758 1.00 120.01 ? 703 GOL B O1 1 HETATM 3217 C C2 . GOL N 5 . ? -66.042 22.640 -2.300 1.00 123.59 ? 703 GOL B C2 1 HETATM 3218 O O2 . GOL N 5 . ? -66.800 23.196 -3.320 1.00 134.22 ? 703 GOL B O2 1 HETATM 3219 C C3 . GOL N 5 . ? -64.527 22.839 -2.528 1.00 118.49 ? 703 GOL B C3 1 HETATM 3220 O O3 . GOL N 5 . ? -64.381 23.422 -3.785 1.00 122.97 ? 703 GOL B O3 1 HETATM 3221 C C10 . GKZ O 6 . ? -45.411 17.949 -9.483 1.00 80.61 ? 709 GKZ B C10 1 HETATM 3222 C C15 . GKZ O 6 . ? -44.501 20.104 -10.097 1.00 86.16 ? 709 GKZ B C15 1 HETATM 3223 C C20 . GKZ O 6 . ? -45.894 24.569 -8.925 1.00 107.64 ? 709 GKZ B C20 1 HETATM 3224 C C21 . GKZ O 6 . ? -45.663 24.766 -10.349 1.00 96.26 ? 709 GKZ B C21 1 HETATM 3225 C C22 . GKZ O 6 . ? -45.224 23.503 -11.116 1.00 94.21 ? 709 GKZ B C22 1 HETATM 3226 C C26 . GKZ O 6 . ? -46.309 12.539 -9.255 1.00 84.79 ? 709 GKZ B C26 1 HETATM 3227 C C28 . GKZ O 6 . ? -46.838 12.372 -11.621 1.00 79.67 ? 709 GKZ B C28 1 HETATM 3228 C C01 . GKZ O 6 . ? -45.088 10.371 -7.366 1.00 113.06 ? 709 GKZ B C01 1 HETATM 3229 C C02 . GKZ O 6 . ? -44.780 11.901 -7.366 1.00 116.32 ? 709 GKZ B C02 1 HETATM 3230 C C03 . GKZ O 6 . ? -45.359 12.866 -8.229 1.00 101.30 ? 709 GKZ B C03 1 HETATM 3231 C C04 . GKZ O 6 . ? -44.781 14.117 -7.885 1.00 96.94 ? 709 GKZ B C04 1 HETATM 3232 C C07 . GKZ O 6 . ? -45.005 15.377 -8.424 1.00 76.25 ? 709 GKZ B C07 1 HETATM 3233 C C08 . GKZ O 6 . ? -46.295 15.804 -8.761 1.00 71.31 ? 709 GKZ B C08 1 HETATM 3234 C C09 . GKZ O 6 . ? -46.495 17.086 -9.293 1.00 68.18 ? 709 GKZ B C09 1 HETATM 3235 C C11 . GKZ O 6 . ? -44.121 17.529 -9.138 1.00 89.55 ? 709 GKZ B C11 1 HETATM 3236 C C12 . GKZ O 6 . ? -43.919 16.253 -8.608 1.00 79.68 ? 709 GKZ B C12 1 HETATM 3237 C C16 . GKZ O 6 . ? -44.914 21.345 -10.975 1.00 96.32 ? 709 GKZ B C16 1 HETATM 3238 C C18 . GKZ O 6 . ? -46.371 22.194 -9.567 1.00 96.64 ? 709 GKZ B C18 1 HETATM 3239 C C19 . GKZ O 6 . ? -46.586 23.365 -8.572 1.00 102.01 ? 709 GKZ B C19 1 HETATM 3240 C C23 . GKZ O 6 . ? -46.698 25.801 -8.360 1.00 101.94 ? 709 GKZ B C23 1 HETATM 3241 C C27 . GKZ O 6 . ? -45.938 12.700 -10.594 1.00 85.88 ? 709 GKZ B C27 1 HETATM 3242 C C29 . GKZ O 6 . ? -48.101 11.870 -11.312 1.00 86.06 ? 709 GKZ B C29 1 HETATM 3243 C C30 . GKZ O 6 . ? -48.471 11.698 -9.974 1.00 75.40 ? 709 GKZ B C30 1 HETATM 3244 C C31 . GKZ O 6 . ? -47.575 12.029 -8.949 1.00 65.44 ? 709 GKZ B C31 1 HETATM 3245 N N05 . GKZ O 6 . ? -43.922 13.885 -6.851 1.00 116.62 ? 709 GKZ B N05 1 HETATM 3246 N N06 . GKZ O 6 . ? -43.921 12.543 -6.538 1.00 123.08 ? 709 GKZ B N06 1 HETATM 3247 N N17 . GKZ O 6 . ? -45.143 22.341 -10.279 1.00 95.15 ? 709 GKZ B N17 1 HETATM 3248 N N25 . GKZ O 6 . ? -47.881 25.580 -7.487 1.00 94.60 ? 709 GKZ B N25 1 HETATM 3249 O O13 . GKZ O 6 . ? -42.591 15.848 -8.266 1.00 82.34 ? 709 GKZ B O13 1 HETATM 3250 O O14 . GKZ O 6 . ? -45.637 19.236 -10.020 1.00 82.03 ? 709 GKZ B O14 1 HETATM 3251 O O24 . GKZ O 6 . ? -46.357 26.910 -8.628 1.00 111.71 ? 709 GKZ B O24 1 HETATM 3252 CL CL . GKZ O 6 . ? -49.235 11.451 -12.605 1.00 77.19 ? 709 GKZ B CL 1 HETATM 3253 O O . HOH P 8 . ? -69.049 19.267 -10.548 1.00 65.64 ? 701 HOH A O 1 HETATM 3254 O O . HOH P 8 . ? -60.289 23.095 -28.019 1.00 64.05 ? 702 HOH A O 1 HETATM 3255 O O . HOH P 8 . ? -38.193 -2.709 -37.270 1.00 83.22 ? 703 HOH A O 1 HETATM 3256 O O . HOH P 8 . ? -44.640 25.139 -19.977 1.00 69.05 ? 704 HOH A O 1 HETATM 3257 O O . HOH P 8 . ? -55.663 14.730 -42.142 1.00 68.25 ? 705 HOH A O 1 HETATM 3258 O O . HOH P 8 . ? -58.237 15.618 -39.908 1.00 66.12 ? 706 HOH A O 1 HETATM 3259 O O . HOH P 8 . ? -49.897 23.661 -7.546 1.00 73.34 ? 707 HOH A O 1 HETATM 3260 O O . HOH P 8 . ? -63.404 17.112 -35.216 1.00 63.25 ? 708 HOH A O 1 HETATM 3261 O O . HOH P 8 . ? -65.664 25.558 -26.168 1.00 62.11 ? 709 HOH A O 1 HETATM 3262 O O . HOH P 8 . ? -66.814 19.184 -24.135 1.00 53.90 ? 710 HOH A O 1 HETATM 3263 O O . HOH P 8 . ? -53.175 -1.865 -20.441 1.00 79.72 ? 711 HOH A O 1 HETATM 3264 O O . HOH P 8 . ? -45.494 4.348 -14.761 1.00 63.88 ? 712 HOH A O 1 HETATM 3265 O O . HOH P 8 . ? -67.154 5.565 -18.212 1.00 70.23 ? 713 HOH A O 1 HETATM 3266 O O . HOH P 8 . ? -62.529 3.751 -19.092 1.00 74.49 ? 714 HOH A O 1 HETATM 3267 O O . HOH P 8 . ? -50.135 -1.600 -28.058 1.00 65.89 ? 715 HOH A O 1 HETATM 3268 O O . HOH P 8 . ? -54.361 4.680 -14.291 1.00 59.01 ? 716 HOH A O 1 HETATM 3269 O O . HOH P 8 . ? -64.033 13.249 -24.126 1.00 57.55 ? 717 HOH A O 1 HETATM 3270 O O . HOH P 8 . ? -44.644 12.753 -28.454 1.00 76.19 ? 718 HOH A O 1 HETATM 3271 O O . HOH P 8 . ? -49.626 21.828 -24.417 1.00 58.72 ? 719 HOH A O 1 HETATM 3272 O O . HOH P 8 . ? -49.815 19.430 -33.367 1.00 77.97 ? 720 HOH A O 1 HETATM 3273 O O . HOH P 8 . ? -50.640 5.332 9.946 1.00 79.08 ? 721 HOH A O 1 HETATM 3274 O O . HOH P 8 . ? -54.134 13.382 -33.185 1.00 60.98 ? 722 HOH A O 1 HETATM 3275 O O . HOH P 8 . ? -49.056 26.148 -23.616 1.00 60.58 ? 723 HOH A O 1 HETATM 3276 O O . HOH P 8 . ? -62.435 -1.130 -27.333 1.00 81.20 ? 724 HOH A O 1 HETATM 3277 O O . HOH P 8 . ? -66.913 12.350 -23.936 1.00 56.51 ? 725 HOH A O 1 HETATM 3278 O O . HOH P 8 . ? -52.512 -4.258 -33.454 1.00 73.64 ? 726 HOH A O 1 HETATM 3279 O O . HOH P 8 . ? -51.238 18.050 -39.349 1.00 84.49 ? 727 HOH A O 1 HETATM 3280 O O . HOH P 8 . ? -51.856 14.152 2.164 1.00 82.01 ? 728 HOH A O 1 HETATM 3281 O O . HOH P 8 . ? -69.578 26.079 -22.741 1.00 65.56 ? 729 HOH A O 1 HETATM 3282 O O . HOH P 8 . ? -63.473 5.263 -45.530 1.00 83.59 ? 730 HOH A O 1 HETATM 3283 O O . HOH P 8 . ? -50.424 8.633 7.351 1.00 71.24 ? 731 HOH A O 1 HETATM 3284 O O . HOH P 8 . ? -66.162 10.271 -4.980 1.00 108.99 ? 732 HOH A O 1 HETATM 3285 O O . HOH P 8 . ? -50.105 11.128 -17.932 1.00 55.98 ? 733 HOH A O 1 HETATM 3286 O O . HOH P 8 . ? -55.741 21.807 -12.826 1.00 63.53 ? 734 HOH A O 1 HETATM 3287 O O . HOH P 8 . ? -60.363 12.788 -14.128 1.00 50.82 ? 735 HOH A O 1 HETATM 3288 O O . HOH P 8 . ? -62.323 16.575 -32.519 1.00 61.62 ? 736 HOH A O 1 HETATM 3289 O O . HOH P 8 . ? -53.031 19.884 -41.127 1.00 99.80 ? 737 HOH A O 1 HETATM 3290 O O . HOH P 8 . ? -69.693 18.792 -30.615 1.00 58.70 ? 738 HOH A O 1 HETATM 3291 O O . HOH P 8 . ? -42.257 12.596 -28.116 1.00 72.90 ? 739 HOH A O 1 HETATM 3292 O O . HOH P 8 . ? -44.684 2.087 -39.922 1.00 71.95 ? 740 HOH A O 1 HETATM 3293 O O . HOH P 8 . ? -48.797 14.169 -38.058 1.00 92.85 ? 741 HOH A O 1 HETATM 3294 O O . HOH P 8 . ? -53.256 5.414 -21.569 1.00 60.27 ? 742 HOH A O 1 HETATM 3295 O O . HOH P 8 . ? -68.956 21.744 -22.872 1.00 56.85 ? 743 HOH A O 1 HETATM 3296 O O . HOH P 8 . ? -52.738 20.407 -35.692 1.00 59.47 ? 744 HOH A O 1 HETATM 3297 O O . HOH P 8 . ? -49.075 2.624 -16.591 1.00 63.85 ? 745 HOH A O 1 HETATM 3298 O O . HOH P 8 . ? -49.752 7.107 -41.041 1.00 74.21 ? 746 HOH A O 1 HETATM 3299 O O . HOH P 8 . ? -48.380 4.528 -18.685 1.00 67.18 ? 747 HOH A O 1 HETATM 3300 O O . HOH P 8 . ? -56.757 5.846 -13.773 1.00 57.18 ? 748 HOH A O 1 HETATM 3301 O O . HOH P 8 . ? -58.974 24.411 -33.359 1.00 81.73 ? 749 HOH A O 1 HETATM 3302 O O . HOH P 8 . ? -74.204 14.767 -33.162 1.00 79.82 ? 750 HOH A O 1 HETATM 3303 O O . HOH P 8 . ? -47.787 15.893 -31.722 1.00 57.13 ? 751 HOH A O 1 HETATM 3304 O O . HOH P 8 . ? -45.568 21.445 -14.852 1.00 75.21 ? 752 HOH A O 1 HETATM 3305 O O . HOH P 8 . ? -52.392 5.792 12.123 1.00 68.48 ? 753 HOH A O 1 HETATM 3306 O O . HOH P 8 . ? -53.532 22.951 -11.982 1.00 61.15 ? 754 HOH A O 1 HETATM 3307 O O . HOH P 8 . ? -55.635 29.094 -31.079 1.00 76.46 ? 755 HOH A O 1 HETATM 3308 O O . HOH P 8 . ? -62.564 22.054 10.049 1.00 95.57 ? 756 HOH A O 1 HETATM 3309 O O . HOH P 8 . ? -54.135 3.341 -24.494 1.00 67.26 ? 757 HOH A O 1 HETATM 3310 O O . HOH P 8 . ? -68.567 8.830 -37.781 1.00 78.35 ? 758 HOH A O 1 HETATM 3311 O O . HOH P 8 . ? -50.164 -2.787 -30.730 1.00 66.45 ? 759 HOH A O 1 HETATM 3312 O O . HOH P 8 . ? -42.923 16.477 -4.741 1.00 98.78 ? 760 HOH A O 1 HETATM 3313 O O . HOH P 8 . ? -51.725 -1.645 -33.016 1.00 68.22 ? 761 HOH A O 1 HETATM 3314 O O . HOH P 8 . ? -47.094 27.688 -24.685 1.00 56.25 ? 762 HOH A O 1 HETATM 3315 O O . HOH P 8 . ? -68.339 8.186 -34.706 1.00 76.57 ? 763 HOH A O 1 HETATM 3316 O O . HOH P 8 . ? -53.377 5.799 -24.309 1.00 63.07 ? 764 HOH A O 1 HETATM 3317 O O . HOH P 8 . ? -49.926 23.025 -16.491 1.00 69.85 ? 765 HOH A O 1 HETATM 3318 O O . HOH P 8 . ? -39.519 6.654 -35.347 1.00 88.92 ? 766 HOH A O 1 HETATM 3319 O O . HOH P 8 . ? -46.563 18.855 -30.953 1.00 86.40 ? 767 HOH A O 1 HETATM 3320 O O . HOH P 8 . ? -69.546 27.099 -28.776 1.00 72.71 ? 768 HOH A O 1 HETATM 3321 O O . HOH P 8 . ? -48.839 25.539 -30.667 1.00 89.40 ? 769 HOH A O 1 HETATM 3322 O O . HOH P 8 . ? -53.424 -4.557 -25.516 1.00 93.43 ? 770 HOH A O 1 HETATM 3323 O O . HOH P 8 . ? -40.063 5.938 -23.677 1.00 71.21 ? 771 HOH A O 1 HETATM 3324 O O . HOH P 8 . ? -59.056 23.689 -38.017 1.00 77.21 ? 772 HOH A O 1 HETATM 3325 O O . HOH P 8 . ? -65.894 14.380 -2.265 1.00 104.33 ? 773 HOH A O 1 HETATM 3326 O O . HOH P 8 . ? -42.815 2.901 -20.808 1.00 121.33 ? 774 HOH A O 1 HETATM 3327 O O . HOH P 8 . ? -76.760 17.312 -30.408 1.00 81.98 ? 775 HOH A O 1 HETATM 3328 O O . HOH P 8 . ? -44.338 17.792 0.261 1.00 101.64 ? 776 HOH A O 1 HETATM 3329 O O . HOH P 8 . ? -50.582 17.884 5.966 1.00 107.36 ? 777 HOH A O 1 HETATM 3330 O O . HOH P 8 . ? -52.448 16.022 4.948 1.00 90.86 ? 778 HOH A O 1 HETATM 3331 O O . HOH P 8 . ? -63.249 2.648 -35.062 1.00 105.19 ? 779 HOH A O 1 HETATM 3332 O O . HOH P 8 . ? -43.329 24.632 -23.291 1.00 68.33 ? 780 HOH A O 1 HETATM 3333 O O . HOH P 8 . ? -35.997 12.918 -18.766 1.00 88.94 ? 781 HOH A O 1 HETATM 3334 O O . HOH P 8 . ? -43.476 18.121 -26.393 1.00 90.99 ? 782 HOH A O 1 HETATM 3335 O O . HOH P 8 . ? -68.524 19.186 -22.083 1.00 53.36 ? 783 HOH A O 1 HETATM 3336 O O . HOH P 8 . ? -60.925 23.913 -31.569 1.00 94.68 ? 784 HOH A O 1 HETATM 3337 O O . HOH Q 8 . ? -37.441 18.957 -7.894 1.00 107.20 ? 801 HOH B O 1 HETATM 3338 O O . HOH Q 8 . ? -40.400 16.765 -8.449 1.00 88.68 ? 802 HOH B O 1 HETATM 3339 O O . HOH Q 8 . ? -58.323 30.508 -19.595 1.00 70.10 ? 803 HOH B O 1 HETATM 3340 O O . HOH Q 8 . ? -42.184 23.962 -12.155 1.00 72.11 ? 804 HOH B O 1 HETATM 3341 O O . HOH Q 8 . ? -55.373 0.533 -11.765 1.00 54.16 ? 805 HOH B O 1 HETATM 3342 O O . HOH Q 8 . ? -67.285 18.080 -19.718 1.00 57.95 ? 806 HOH B O 1 HETATM 3343 O O . HOH Q 8 . ? -37.870 21.820 -15.386 1.00 89.61 ? 807 HOH B O 1 HETATM 3344 O O . HOH Q 8 . ? -66.575 12.450 -9.551 1.00 72.14 ? 808 HOH B O 1 HETATM 3345 O O . HOH Q 8 . ? -63.439 27.496 -15.682 1.00 57.90 ? 809 HOH B O 1 HETATM 3346 O O . HOH Q 8 . ? -42.944 21.925 -23.492 1.00 65.73 ? 810 HOH B O 1 HETATM 3347 O O . HOH Q 8 . ? -61.674 30.831 -13.183 1.00 80.09 ? 811 HOH B O 1 HETATM 3348 O O . HOH Q 8 . ? -44.305 -1.534 -13.146 1.00 85.61 ? 812 HOH B O 1 HETATM 3349 O O . HOH Q 8 . ? -55.131 27.136 -9.720 1.00 59.33 ? 813 HOH B O 1 HETATM 3350 O O . HOH Q 8 . ? -58.880 29.422 -15.358 1.00 60.51 ? 814 HOH B O 1 HETATM 3351 O O . HOH Q 8 . ? -60.252 5.258 -15.834 1.00 65.70 ? 815 HOH B O 1 HETATM 3352 O O . HOH Q 8 . ? -62.553 24.896 -19.579 1.00 49.65 ? 816 HOH B O 1 HETATM 3353 O O . HOH Q 8 . ? -53.216 27.546 -22.325 1.00 53.08 ? 817 HOH B O 1 HETATM 3354 O O . HOH Q 8 . ? -59.789 2.494 -16.260 1.00 62.03 ? 818 HOH B O 1 HETATM 3355 O O . HOH Q 8 . ? -29.766 34.178 -33.432 1.00 80.99 ? 819 HOH B O 1 HETATM 3356 O O . HOH Q 8 . ? -59.016 14.134 -7.238 1.00 54.33 ? 820 HOH B O 1 HETATM 3357 O O . HOH Q 8 . ? -33.707 21.701 -25.718 1.00 74.81 ? 821 HOH B O 1 HETATM 3358 O O . HOH Q 8 . ? -63.812 3.580 -3.499 1.00 89.28 ? 822 HOH B O 1 HETATM 3359 O O . HOH Q 8 . ? -35.483 28.562 -23.338 1.00 62.13 ? 823 HOH B O 1 HETATM 3360 O O . HOH Q 8 . ? -58.578 27.838 -26.465 1.00 73.66 ? 824 HOH B O 1 HETATM 3361 O O . HOH Q 8 . ? -55.599 24.450 -10.995 1.00 69.97 ? 825 HOH B O 1 HETATM 3362 O O . HOH Q 8 . ? -57.522 24.165 -13.199 1.00 52.86 ? 826 HOH B O 1 HETATM 3363 O O . HOH Q 8 . ? -37.148 16.971 -21.220 1.00 74.66 ? 827 HOH B O 1 HETATM 3364 O O . HOH Q 8 . ? -53.817 3.751 -0.227 1.00 76.40 ? 828 HOH B O 1 HETATM 3365 O O . HOH Q 8 . ? -40.911 5.119 -3.946 1.00 94.39 ? 829 HOH B O 1 HETATM 3366 O O . HOH Q 8 . ? -45.407 3.657 5.427 1.00 98.35 ? 830 HOH B O 1 HETATM 3367 O O . HOH Q 8 . ? -56.618 31.798 -10.177 1.00 63.69 ? 831 HOH B O 1 HETATM 3368 O O . HOH Q 8 . ? -64.536 6.041 -3.058 1.00 85.28 ? 832 HOH B O 1 HETATM 3369 O O . HOH Q 8 . ? -67.671 8.735 -9.766 1.00 77.62 ? 833 HOH B O 1 HETATM 3370 O O . HOH Q 8 . ? -61.865 31.686 -21.959 1.00 50.67 ? 834 HOH B O 1 HETATM 3371 O O . HOH Q 8 . ? -71.544 22.721 -22.418 1.00 59.74 ? 835 HOH B O 1 HETATM 3372 O O . HOH Q 8 . ? -34.532 14.130 -14.593 1.00 76.18 ? 836 HOH B O 1 HETATM 3373 O O . HOH Q 8 . ? -70.986 18.325 -22.095 1.00 58.81 ? 837 HOH B O 1 HETATM 3374 O O . HOH Q 8 . ? -27.270 34.606 -14.126 1.00 100.35 ? 838 HOH B O 1 HETATM 3375 O O . HOH Q 8 . ? -63.020 28.252 -10.139 1.00 98.24 ? 839 HOH B O 1 HETATM 3376 O O . HOH Q 8 . ? -29.399 30.357 -29.346 1.00 87.86 ? 840 HOH B O 1 HETATM 3377 O O . HOH Q 8 . ? -42.240 3.541 -18.555 1.00 125.94 ? 841 HOH B O 1 HETATM 3378 O O . HOH Q 8 . ? -39.040 26.432 -23.300 1.00 81.80 ? 842 HOH B O 1 HETATM 3379 O O . HOH Q 8 . ? -30.286 24.745 -25.844 1.00 95.50 ? 843 HOH B O 1 HETATM 3380 O O . HOH Q 8 . ? -65.873 29.386 10.584 1.00 87.52 ? 844 HOH B O 1 HETATM 3381 O O . HOH Q 8 . ? -43.748 1.226 -15.091 1.00 82.80 ? 845 HOH B O 1 HETATM 3382 O O . HOH Q 8 . ? -72.598 4.838 -29.840 1.00 95.12 ? 846 HOH B O 1 HETATM 3383 O O . HOH Q 8 . ? -56.072 2.889 -0.990 1.00 148.07 ? 847 HOH B O 1 HETATM 3384 O O . HOH Q 8 . ? -55.697 30.824 -12.359 1.00 71.96 ? 848 HOH B O 1 HETATM 3385 O O . HOH Q 8 . ? -44.111 -1.616 -2.761 1.00 97.75 ? 849 HOH B O 1 HETATM 3386 O O . HOH Q 8 . ? -42.873 26.649 -11.678 1.00 79.06 ? 850 HOH B O 1 HETATM 3387 O O . HOH Q 8 . ? -58.295 30.654 -22.910 1.00 80.46 ? 851 HOH B O 1 HETATM 3388 O O . HOH Q 8 . ? -34.479 21.065 -16.799 1.00 101.64 ? 852 HOH B O 1 HETATM 3389 O O . HOH Q 8 . ? -55.687 31.236 -23.880 1.00 66.30 ? 853 HOH B O 1 HETATM 3390 O O . HOH Q 8 . ? -60.481 25.257 -26.746 1.00 93.63 ? 854 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . GLY A 3 ? 0.9139 1.3700 1.4914 -0.0362 0.0189 -0.1167 30 GLY A N 2 C CA . GLY A 3 ? 1.0242 1.4301 1.5380 -0.0196 0.0324 -0.1027 30 GLY A CA 3 C C . GLY A 3 ? 1.3204 1.7071 1.7817 -0.0458 0.0779 -0.0918 30 GLY A C 4 O O . GLY A 3 ? 1.7089 2.1336 2.1943 -0.0746 0.1088 -0.1007 30 GLY A O 5 N N . ARG A 4 ? 1.1558 1.4813 1.5440 -0.0366 0.0806 -0.0724 31 ARG A N 6 C CA . ARG A 4 ? 1.3044 1.6007 1.6331 -0.0552 0.1156 -0.0599 31 ARG A CA 7 C C . ARG A 4 ? 1.2853 1.5354 1.5622 -0.0316 0.1106 -0.0497 31 ARG A C 8 O O . ARG A 4 ? 1.3930 1.6176 1.6641 -0.0099 0.0807 -0.0445 31 ARG A O 9 C CB . ARG A 4 ? 1.5036 1.7595 1.7861 -0.0848 0.1182 -0.0400 31 ARG A CB 10 C CG . ARG A 4 ? 1.5290 1.8145 1.8284 -0.1216 0.1495 -0.0455 31 ARG A CG 11 C CD . ARG A 4 ? 1.5815 1.8103 1.8227 -0.1484 0.1511 -0.0239 31 ARG A CD 12 N NE . ARG A 4 ? 1.6829 1.8487 1.8445 -0.1424 0.1595 -0.0039 31 ARG A NE 13 C CZ . ARG A 4 ? 1.6513 1.7585 1.7541 -0.1587 0.1610 0.0151 31 ARG A CZ 14 N NH1 . ARG A 4 ? 1.4723 1.5281 1.5111 -0.1481 0.1644 0.0304 31 ARG A NH1 15 N NH2 . ARG A 4 ? 1.6619 1.7612 1.7718 -0.1845 0.1568 0.0172 31 ARG A NH2 16 N N . SER A 5 ? 1.0843 1.3218 1.3208 -0.0382 0.1398 -0.0470 32 SER A N 17 C CA . SER A 5 ? 0.8143 1.0096 1.0018 -0.0195 0.1351 -0.0386 32 SER A CA 18 C C . SER A 5 ? 0.6858 0.8224 0.8137 -0.0265 0.1237 -0.0140 32 SER A C 19 O O . SER A 5 ? 0.7999 0.9192 0.9008 -0.0494 0.1345 -0.0024 32 SER A O 20 C CB . SER A 5 ? 0.9038 1.1068 1.0668 -0.0228 0.1668 -0.0470 32 SER A CB 21 O OG . SER A 5 ? 1.1933 1.3641 1.3211 -0.0020 0.1578 -0.0448 32 SER A OG 22 N N . ILE A 6 ? 0.6846 0.7901 0.7942 -0.0071 0.1025 -0.0075 33 ILE A N 23 C CA . ILE A 6 ? 0.6274 0.6839 0.6892 -0.0102 0.0927 0.0113 33 ILE A CA 24 C C . ILE A 6 ? 0.7978 0.8299 0.8109 -0.0157 0.1098 0.0188 33 ILE A C 25 O O . ILE A 6 ? 0.7951 0.8278 0.7972 -0.0036 0.1146 0.0125 33 ILE A O 26 C CB . ILE A 6 ? 0.7227 0.7571 0.7809 0.0085 0.0700 0.0141 33 ILE A CB 27 C CG1 . ILE A 6 ? 0.6853 0.7310 0.7774 0.0127 0.0484 0.0108 33 ILE A CG1 28 C CG2 . ILE A 6 ? 0.7358 0.7281 0.7498 0.0057 0.0662 0.0288 33 ILE A CG2 29 C CD1 . ILE A 6 ? 0.6441 0.6633 0.7280 0.0284 0.0271 0.0143 33 ILE A CD1 30 N N . PRO A 7 ? 0.8964 0.9023 0.8764 -0.0329 0.1165 0.0318 34 PRO A N 31 C CA . PRO A 7 ? 0.9017 0.8779 0.8299 -0.0371 0.1287 0.0404 34 PRO A CA 32 C C . PRO A 7 ? 0.8692 0.8156 0.7705 -0.0180 0.1130 0.0455 34 PRO A C 33 O O . PRO A 7 ? 0.8677 0.8089 0.7835 -0.0071 0.0964 0.0458 34 PRO A O 34 C CB . PRO A 7 ? 0.8894 0.8379 0.7924 -0.0595 0.1343 0.0534 34 PRO A CB 35 C CG . PRO A 7 ? 0.8442 0.7969 0.7772 -0.0607 0.1181 0.0529 34 PRO A CG 36 C CD . PRO A 7 ? 0.8770 0.8758 0.8634 -0.0499 0.1116 0.0380 34 PRO A CD 37 N N . LEU A 8 ? 0.9433 0.8700 0.8031 -0.0156 0.1187 0.0488 35 LEU A N 38 C CA . LEU A 8 ? 0.8845 0.7911 0.7239 0.0027 0.1034 0.0495 35 LEU A CA 39 C C . LEU A 8 ? 1.0735 0.9378 0.8573 0.0000 0.1013 0.0627 35 LEU A C 40 O O . LEU A 8 ? 0.9804 0.8329 0.7284 -0.0137 0.1165 0.0677 35 LEU A O 41 C CB . LEU A 8 ? 0.9455 0.8740 0.7934 0.0141 0.1056 0.0348 35 LEU A CB 42 C CG . LEU A 8 ? 1.1367 1.0577 0.9829 0.0320 0.0880 0.0289 35 LEU A CG 43 C CD1 . LEU A 8 ? 0.9597 0.8768 0.8323 0.0378 0.0728 0.0319 35 LEU A CD1 44 C CD2 . LEU A 8 ? 1.1032 1.0487 0.9693 0.0400 0.0921 0.0111 35 LEU A CD2 45 N N . GLY A 9 ? 0.9619 0.8021 0.7379 0.0128 0.0826 0.0677 36 GLY A N 46 C CA . GLY A 9 ? 0.9033 0.6985 0.6300 0.0157 0.0736 0.0798 36 GLY A CA 47 C C . GLY A 9 ? 1.1360 0.9226 0.8344 0.0308 0.0612 0.0763 36 GLY A C 48 O O . GLY A 9 ? 0.9316 0.7413 0.6586 0.0449 0.0503 0.0641 36 GLY A O 49 N N . VAL A 10 ? 0.9730 0.7218 0.6103 0.0255 0.0620 0.0872 37 VAL A N 50 C CA . VAL A 10 ? 1.0507 0.7830 0.6476 0.0388 0.0466 0.0851 37 VAL A CA 51 C C . VAL A 10 ? 1.1721 0.8419 0.7007 0.0400 0.0328 0.1035 37 VAL A C 52 O O . VAL A 10 ? 1.3614 0.9995 0.8596 0.0217 0.0464 0.1183 37 VAL A O 53 C CB . VAL A 10 ? 1.1683 0.9215 0.7484 0.0294 0.0660 0.0754 37 VAL A CB 54 C CG1 . VAL A 10 ? 1.1801 0.9123 0.7119 0.0036 0.0934 0.0869 37 VAL A CG1 55 C CG2 . VAL A 10 ? 1.1988 0.9407 0.7446 0.0455 0.0457 0.0679 37 VAL A CG2 56 N N . ILE A 11 ? 1.2469 0.8965 0.7516 0.0618 0.0031 0.1021 38 ILE A N 57 C CA . ILE A 11 ? 1.4184 1.0023 0.8562 0.0698 -0.0194 0.1193 38 ILE A CA 58 C C . ILE A 11 ? 1.4822 1.0320 0.8362 0.0599 -0.0158 0.1272 38 ILE A C 59 O O . ILE A 11 ? 1.4168 0.9866 0.7650 0.0689 -0.0243 0.1140 38 ILE A O 60 C CB . ILE A 11 ? 1.3772 0.9597 0.8411 0.1023 -0.0590 0.1115 38 ILE A CB 61 C CG1 . ILE A 11 ? 1.3486 0.9575 0.8847 0.1095 -0.0578 0.1041 38 ILE A CG1 62 C CG2 . ILE A 11 ? 1.3969 0.9074 0.7863 0.1156 -0.0892 0.1282 38 ILE A CG2 63 C CD1 . ILE A 11 ? 1.3714 0.9942 0.9496 0.1400 -0.0904 0.0906 38 ILE A CD1 64 N N . HIS A 12 ? 1.3701 0.8650 0.6547 0.0390 -0.0018 0.1481 39 HIS A N 65 C CA A HIS A 12 ? 1.4713 0.9202 0.6591 0.0257 0.0040 0.1594 39 HIS A CA 66 C CA B HIS A 12 ? 1.4733 0.9221 0.6610 0.0258 0.0038 0.1594 39 HIS A CA 67 C C . HIS A 12 ? 1.5774 0.9362 0.6826 0.0225 -0.0128 0.1871 39 HIS A C 68 O O . HIS A 12 ? 1.6437 0.9810 0.7607 0.0106 -0.0034 0.1986 39 HIS A O 69 C CB A HIS A 12 ? 1.4905 0.9685 0.6716 -0.0086 0.0536 0.1553 39 HIS A CB 70 C CB B HIS A 12 ? 1.4948 0.9733 0.6760 -0.0083 0.0534 0.1550 39 HIS A CB 71 C CG A HIS A 12 ? 1.4997 1.0479 0.7330 -0.0031 0.0665 0.1286 39 HIS A CG 72 C CG B HIS A 12 ? 1.5409 0.9783 0.6211 -0.0242 0.0658 0.1625 39 HIS A CG 73 N ND1 A HIS A 12 ? 1.4169 1.0219 0.7038 -0.0218 0.1048 0.1151 39 HIS A ND1 74 N ND1 B HIS A 12 ? 1.6358 1.0774 0.6844 -0.0082 0.0495 0.1497 39 HIS A ND1 75 C CD2 A HIS A 12 ? 1.4208 0.9884 0.6609 0.0191 0.0444 0.1119 39 HIS A CD2 76 C CD2 B HIS A 12 ? 1.6033 0.9923 0.6025 -0.0572 0.0946 0.1808 39 HIS A CD2 77 C CE1 A HIS A 12 ? 1.2763 0.9281 0.5984 -0.0094 0.1055 0.0919 39 HIS A CE1 78 C CE1 B HIS A 12 ? 1.6458 1.0421 0.5937 -0.0291 0.0674 0.1597 39 HIS A CE1 79 N NE2 A HIS A 12 ? 1.2689 0.8983 0.5624 0.0136 0.0703 0.0895 39 HIS A NE2 80 N NE2 B HIS A 12 ? 1.6687 1.0325 0.5844 -0.0602 0.0967 0.1793 39 HIS A NE2 81 N N . ASN A 13 ? 1.6269 0.9280 0.6446 0.0335 -0.0402 0.1975 40 ASN A N 82 C CA . ASN A 13 ? 1.7377 0.9386 0.6600 0.0327 -0.0621 0.2263 40 ASN A CA 83 C C . ASN A 13 ? 1.7753 0.9552 0.7433 0.0560 -0.0910 0.2307 40 ASN A C 84 O O . ASN A 13 ? 1.9093 1.0261 0.8380 0.0419 -0.0864 0.2513 40 ASN A O 85 C CB . ASN A 13 ? 1.7749 0.9327 0.6241 -0.0132 -0.0182 0.2463 40 ASN A CB 86 C CG . ASN A 13 ? 1.9931 1.1596 0.7850 -0.0333 0.0055 0.2408 40 ASN A CG 87 O OD1 . ASN A 13 ? 2.1329 1.2942 0.8916 -0.0115 -0.0228 0.2334 40 ASN A OD1 88 N ND2 . ASN A 13 ? 2.1563 1.3389 0.9401 -0.0750 0.0573 0.2421 40 ASN A ND2 89 N N . SER A 14 ? 1.6985 0.9316 0.7510 0.0909 -0.1193 0.2092 41 SER A N 90 C CA . SER A 14 ? 1.6696 0.8929 0.7738 0.1185 -0.1475 0.2066 41 SER A CA 91 C C . SER A 14 ? 1.6549 0.8874 0.8015 0.0967 -0.1146 0.2091 41 SER A C 92 O O . SER A 14 ? 1.8770 1.0572 1.0140 0.1048 -0.1288 0.2190 41 SER A O 93 C CB . SER A 14 ? 1.7484 0.8756 0.7727 0.1418 -0.1936 0.2262 41 SER A CB 94 O OG . SER A 14 ? 1.9486 1.0734 0.9464 0.1684 -0.2335 0.2198 41 SER A OG 95 N N . ALA A 15 ? 1.5007 0.7982 0.6944 0.0702 -0.0732 0.1986 42 ALA A N 96 C CA . ALA A 15 ? 1.5138 0.8268 0.7506 0.0484 -0.0445 0.1985 42 ALA A CA 97 C C . ALA A 15 ? 1.4009 0.8053 0.7163 0.0369 -0.0152 0.1780 42 ALA A C 98 O O . ALA A 15 ? 1.5514 0.9911 0.8628 0.0304 -0.0025 0.1705 42 ALA A O 99 C CB . ALA A 15 ? 1.6841 0.9336 0.8461 0.0109 -0.0202 0.2221 42 ALA A CB 100 N N . LEU A 16 ? 1.3192 0.7564 0.7020 0.0359 -0.0066 0.1685 43 LEU A N 101 C CA . LEU A 16 ? 1.2919 0.8052 0.7445 0.0246 0.0179 0.1518 43 LEU A CA 102 C C . LEU A 16 ? 1.4224 0.9420 0.8601 -0.0129 0.0534 0.1583 43 LEU A C 103 O O . LEU A 16 ? 1.4063 0.8786 0.8068 -0.0342 0.0624 0.1732 43 LEU A O 104 C CB . LEU A 16 ? 1.2012 0.7400 0.7198 0.0353 0.0133 0.1404 43 LEU A CB 105 C CG . LEU A 16 ? 1.1549 0.7657 0.7434 0.0299 0.0298 0.1235 43 LEU A CG 106 C CD1 . LEU A 16 ? 1.0789 0.7307 0.6953 0.0495 0.0188 0.1096 43 LEU A CD1 107 C CD2 . LEU A 16 ? 1.1109 0.7311 0.7431 0.0323 0.0294 0.1165 43 LEU A CD2 108 N N . GLN A 17 ? 1.3595 0.9379 0.8291 -0.0212 0.0734 0.1453 44 GLN A N 109 C CA . GLN A 17 ? 1.2335 0.8351 0.7059 -0.0540 0.1084 0.1450 44 GLN A CA 110 C C . GLN A 17 ? 1.2910 0.9688 0.8447 -0.0519 0.1193 0.1246 44 GLN A C 111 O O . GLN A 17 ? 1.1556 0.8634 0.7459 -0.0280 0.1039 0.1122 44 GLN A O 112 C CB . GLN A 17 ? 1.3664 0.9510 0.7733 -0.0679 0.1251 0.1503 44 GLN A CB 113 C CG . GLN A 17 ? 1.6497 1.1475 0.9615 -0.0772 0.1172 0.1748 44 GLN A CG 114 C CD . GLN A 17 ? 1.7610 1.2365 0.9957 -0.0918 0.1339 0.1804 44 GLN A CD 115 O OE1 . GLN A 17 ? 1.9971 1.5200 1.2481 -0.0859 0.1440 0.1633 44 GLN A OE1 116 N NE2 . GLN A 17 ? 2.0833 1.4804 1.2275 -0.1118 0.1371 0.2043 44 GLN A NE2 117 N N . VAL A 18 ? 1.1214 0.8284 0.7036 -0.0778 0.1445 0.1210 45 VAL A N 118 C CA . VAL A 18 ? 1.2280 1.0039 0.8833 -0.0756 0.1532 0.1019 45 VAL A CA 119 C C . VAL A 18 ? 1.2910 1.1007 0.9432 -0.0805 0.1751 0.0900 45 VAL A C 120 O O . VAL A 18 ? 1.2867 1.0778 0.8902 -0.1019 0.1975 0.0963 45 VAL A O 121 C CB . VAL A 18 ? 1.4070 1.2034 1.1047 -0.0975 0.1636 0.1001 45 VAL A CB 122 C CG1 . VAL A 18 ? 1.4708 1.2263 1.1616 -0.0934 0.1435 0.1100 45 VAL A CG1 123 C CG2 . VAL A 18 ? 1.5919 1.3869 1.2689 -0.1328 0.1940 0.1042 45 VAL A CG2 124 N N . SER A 19 ? 1.1534 1.0082 0.8527 -0.0613 0.1697 0.0723 46 SER A N 125 C CA . SER A 19 ? 1.1658 1.0547 0.8687 -0.0613 0.1893 0.0559 46 SER A CA 126 C C . SER A 19 ? 1.3444 1.2837 1.1193 -0.0423 0.1807 0.0363 46 SER A C 127 O O . SER A 19 ? 1.1904 1.1413 1.0100 -0.0377 0.1664 0.0372 46 SER A O 128 C CB . SER A 19 ? 1.2548 1.1069 0.8886 -0.0514 0.1830 0.0596 46 SER A CB 129 O OG . SER A 19 ? 1.4484 1.3244 1.0684 -0.0580 0.2087 0.0444 46 SER A OG 130 N N . ASP A 20 ? 1.2875 1.2505 1.0676 -0.0315 0.1884 0.0186 47 ASP A N 131 C CA . ASP A 20 ? 1.2917 1.2902 1.1309 -0.0111 0.1771 0.0005 47 ASP A CA 132 C C . ASP A 20 ? 1.3078 1.3047 1.1233 0.0035 0.1777 -0.0144 47 ASP A C 133 O O . ASP A 20 ? 1.1617 1.1382 0.9181 -0.0042 0.1907 -0.0129 47 ASP A O 134 C CB . ASP A 20 ? 1.3008 1.3512 1.2046 -0.0174 0.1923 -0.0144 47 ASP A CB 135 C CG . ASP A 20 ? 1.0988 1.1662 1.0608 0.0008 0.1680 -0.0203 47 ASP A CG 136 O OD1 . ASP A 20 ? 1.1929 1.2896 1.2034 -0.0050 0.1679 -0.0240 47 ASP A OD1 137 O OD2 . ASP A 20 ? 1.0804 1.1290 1.0369 0.0191 0.1478 -0.0208 47 ASP A OD2 138 N N . VAL A 21 ? 1.2421 1.2552 1.0989 0.0237 0.1623 -0.0289 48 VAL A N 139 C CA . VAL A 21 ? 1.1811 1.1882 1.0180 0.0383 0.1581 -0.0450 48 VAL A CA 140 C C . VAL A 21 ? 1.1885 1.2180 1.0114 0.0327 0.1889 -0.0644 48 VAL A C 141 O O . VAL A 21 ? 1.1343 1.1479 0.9113 0.0374 0.1917 -0.0746 48 VAL A O 142 C CB . VAL A 21 ? 1.1607 1.1759 1.0465 0.0577 0.1368 -0.0566 48 VAL A CB 143 C CG1 . VAL A 21 ? 1.1712 1.1582 1.0517 0.0615 0.1100 -0.0407 48 VAL A CG1 144 C CG2 . VAL A 21 ? 1.1520 1.2008 1.1008 0.0600 0.1405 -0.0633 48 VAL A CG2 145 N N . ASP A 22 ? 1.3094 1.3777 1.1715 0.0218 0.2131 -0.0719 49 ASP A N 146 C CA . ASP A 22 ? 1.4413 1.5393 1.2975 0.0144 0.2486 -0.0937 49 ASP A CA 147 C C . ASP A 22 ? 1.4084 1.4826 1.1897 -0.0127 0.2747 -0.0801 49 ASP A C 148 O O . ASP A 22 ? 1.4439 1.5330 1.1992 -0.0218 0.3072 -0.0973 49 ASP A O 149 C CB . ASP A 22 ? 1.4081 1.5655 1.3469 0.0137 0.2643 -0.1111 49 ASP A CB 150 C CG . ASP A 22 ? 1.5008 1.6702 1.4517 -0.0133 0.2770 -0.0943 49 ASP A CG 151 O OD1 . ASP A 22 ? 1.5373 1.7290 1.4770 -0.0370 0.3140 -0.1006 49 ASP A OD1 152 O OD2 . ASP A 22 ? 1.4628 1.6175 1.4317 -0.0130 0.2515 -0.0756 49 ASP A OD2 153 N N . LYS A 23 ? 1.4791 1.5125 1.2210 -0.0258 0.2618 -0.0505 50 LYS A N 154 C CA . LYS A 23 ? 1.4844 1.4835 1.1505 -0.0532 0.2831 -0.0329 50 LYS A CA 155 C C . LYS A 23 ? 1.6089 1.5426 1.1899 -0.0465 0.2581 -0.0144 50 LYS A C 156 O O . LYS A 23 ? 1.7945 1.6817 1.3166 -0.0630 0.2568 0.0104 50 LYS A O 157 C CB . LYS A 23 ? 1.4470 1.4467 1.1342 -0.0763 0.2894 -0.0143 50 LYS A CB 158 C CG . LYS A 23 ? 1.4918 1.5583 1.2726 -0.0808 0.3042 -0.0322 50 LYS A CG 159 C CD . LYS A 23 ? 1.4479 1.5108 1.2460 -0.1052 0.3062 -0.0145 50 LYS A CD 160 C CE . LYS A 23 ? 1.6036 1.6159 1.3809 -0.0947 0.2686 0.0097 50 LYS A CE 161 N NZ . LYS A 23 ? 1.5812 1.5968 1.3921 -0.1122 0.2648 0.0204 50 LYS A NZ 162 N N . LEU A 24 ? 1.5349 1.4622 1.1096 -0.0220 0.2355 -0.0267 51 LEU A N 163 C CA . LEU A 24 ? 1.4755 1.3486 0.9779 -0.0128 0.2074 -0.0141 51 LEU A CA 164 C C . LEU A 24 ? 1.6465 1.5056 1.0794 -0.0145 0.2218 -0.0292 51 LEU A C 165 O O . LEU A 24 ? 1.8203 1.7176 1.2792 -0.0119 0.2452 -0.0564 51 LEU A O 166 C CB . LEU A 24 ? 1.5017 1.3759 1.0473 0.0134 0.1673 -0.0173 51 LEU A CB 167 C CG . LEU A 24 ? 1.4666 1.3423 1.0625 0.0164 0.1486 -0.0009 51 LEU A CG 168 C CD1 . LEU A 24 ? 1.4297 1.3378 1.1003 0.0336 0.1336 -0.0156 51 LEU A CD1 169 C CD2 . LEU A 24 ? 1.6172 1.4451 1.1683 0.0225 0.1189 0.0192 51 LEU A CD2 170 N N . VAL A 25 ? 1.5111 1.3121 0.8523 -0.0174 0.2060 -0.0124 52 VAL A N 171 C CA . VAL A 25 ? 1.6255 1.4016 0.8828 -0.0194 0.2143 -0.0243 52 VAL A CA 172 C C . VAL A 25 ? 1.4700 1.2432 0.7356 0.0085 0.1758 -0.0410 52 VAL A C 173 O O . VAL A 25 ? 1.6074 1.3911 0.9340 0.0259 0.1432 -0.0381 52 VAL A O 174 C CB . VAL A 25 ? 1.8201 1.5265 0.9627 -0.0376 0.2136 0.0033 52 VAL A CB 175 C CG1 . VAL A 25 ? 1.8552 1.5644 0.9840 -0.0721 0.2599 0.0156 52 VAL A CG1 176 C CG2 . VAL A 25 ? 1.6312 1.2935 0.7632 -0.0225 0.1649 0.0287 52 VAL A CG2 177 N N . CYS A 26 ? 1.6379 1.3968 0.8405 0.0104 0.1809 -0.0598 53 CYS A N 178 C CA . CYS A 26 ? 1.6330 1.3921 0.8461 0.0338 0.1467 -0.0808 53 CYS A CA 179 C C . CYS A 26 ? 1.8066 1.5279 0.9981 0.0476 0.0939 -0.0629 53 CYS A C 180 O O . CYS A 26 ? 1.8406 1.5746 1.0767 0.0658 0.0617 -0.0772 53 CYS A O 181 C CB . CYS A 26 ? 1.4817 1.2265 0.6189 0.0310 0.1632 -0.1056 53 CYS A CB 182 S SG . CYS A 26 ? 1.8103 1.6133 0.9975 0.0263 0.2190 -0.1426 53 CYS A SG 183 N N . ARG A 27 ? 2.0133 1.6879 1.1399 0.0392 0.0838 -0.0333 54 ARG A N 184 C CA . ARG A 27 ? 1.8965 1.5369 1.0064 0.0563 0.0313 -0.0188 54 ARG A CA 185 C C . ARG A 27 ? 1.6648 1.3363 0.8757 0.0682 0.0126 -0.0121 54 ARG A C 186 O O . ARG A 27 ? 1.8049 1.4695 1.0338 0.0863 -0.0302 -0.0115 54 ARG A O 187 C CB . ARG A 27 ? 1.8782 1.4503 0.8820 0.0463 0.0236 0.0108 54 ARG A CB 188 C CG . ARG A 27 ? 2.3705 1.8957 1.2556 0.0415 0.0204 0.0052 54 ARG A CG 189 C CD . ARG A 27 ? 2.7479 2.2311 1.5376 0.0114 0.0622 0.0242 54 ARG A CD 190 N NE . ARG A 27 ? 2.7903 2.3271 1.6360 -0.0095 0.1214 0.0123 54 ARG A NE 191 C CZ . ARG A 27 ? 2.7467 2.3189 1.5949 -0.0161 0.1572 -0.0177 54 ARG A CZ 192 N NH1 . ARG A 27 ? 2.7079 2.3333 1.6180 -0.0322 0.2075 -0.0293 54 ARG A NH1 193 N NH2 . ARG A 27 ? 2.5991 2.1545 1.3905 -0.0053 0.1410 -0.0385 54 ARG A NH2 194 N N . ASP A 28 ? 1.6702 1.3771 0.9472 0.0581 0.0433 -0.0089 55 ASP A N 195 C CA . ASP A 28 ? 1.6399 1.3781 1.0099 0.0681 0.0291 -0.0067 55 ASP A CA 196 C C . ASP A 28 ? 1.5081 1.2831 0.9409 0.0811 0.0171 -0.0330 55 ASP A C 197 O O . ASP A 28 ? 1.5805 1.3764 1.0220 0.0782 0.0384 -0.0534 55 ASP A O 198 C CB . ASP A 28 ? 1.6458 1.4081 1.0618 0.0530 0.0625 0.0026 55 ASP A CB 199 C CG . ASP A 28 ? 1.8205 1.5433 1.1893 0.0396 0.0680 0.0305 55 ASP A CG 200 O OD1 . ASP A 28 ? 1.8962 1.5894 1.1901 0.0224 0.0892 0.0383 55 ASP A OD1 201 O OD2 . ASP A 28 ? 1.8584 1.5766 1.2620 0.0448 0.0525 0.0440 55 ASP A OD2 202 N N . LYS A 29 ? 1.3212 1.1035 0.7991 0.0947 -0.0160 -0.0339 56 LYS A N 203 C CA . LYS A 29 ? 1.3491 1.1569 0.8774 0.1037 -0.0320 -0.0574 56 LYS A CA 204 C C . LYS A 29 ? 1.3362 1.1745 0.9514 0.1049 -0.0328 -0.0554 56 LYS A C 205 O O . LYS A 29 ? 1.4297 1.2656 1.0637 0.1076 -0.0437 -0.0400 56 LYS A O 206 C CB . LYS A 29 ? 1.3904 1.1796 0.8875 0.1158 -0.0730 -0.0656 56 LYS A CB 207 C CG . LYS A 29 ? 1.6829 1.4922 1.2172 0.1205 -0.0883 -0.0935 56 LYS A CG 208 C CD . LYS A 29 ? 1.8061 1.5935 1.2896 0.1296 -0.1264 -0.1053 56 LYS A CD 209 C CE . LYS A 29 ? 1.9850 1.7590 1.4610 0.1408 -0.1610 -0.0890 56 LYS A CE 210 N NZ . LYS A 29 ? 2.0425 1.8211 1.5281 0.1523 -0.2074 -0.1078 56 LYS A NZ 211 N N . LEU A 30 ? 1.0964 0.9586 0.7596 0.1031 -0.0211 -0.0714 57 LEU A N 212 C CA . LEU A 30 ? 1.0906 0.9748 0.8265 0.1020 -0.0225 -0.0710 57 LEU A CA 213 C C . LEU A 30 ? 1.1223 1.0134 0.8865 0.1048 -0.0385 -0.0935 57 LEU A C 214 O O . LEU A 30 ? 0.9407 0.8321 0.7061 0.1049 -0.0279 -0.1096 57 LEU A O 215 C CB . LEU A 30 ? 1.0041 0.9022 0.7683 0.0954 0.0058 -0.0655 57 LEU A CB 216 C CG . LEU A 30 ? 1.0594 0.9717 0.8856 0.0929 0.0052 -0.0629 57 LEU A CG 217 C CD1 . LEU A 30 ? 0.8877 0.7999 0.7277 0.0906 -0.0019 -0.0454 57 LEU A CD1 218 C CD2 . LEU A 30 ? 0.9871 0.9107 0.8359 0.0901 0.0267 -0.0628 57 LEU A CD2 219 N N . SER A 31 ? 0.9481 0.8450 0.7383 0.1068 -0.0638 -0.0966 58 SER A N 220 C CA . SER A 31 ? 1.0772 0.9789 0.8919 0.1056 -0.0816 -0.1189 58 SER A CA 221 C C . SER A 31 ? 0.9515 0.8676 0.8316 0.0958 -0.0779 -0.1208 58 SER A C 222 O O . SER A 31 ? 0.9278 0.8438 0.8301 0.0904 -0.0892 -0.1390 58 SER A O 223 C CB . SER A 31 ? 1.1390 1.0406 0.9397 0.1123 -0.1156 -0.1268 58 SER A CB 224 O OG . SER A 31 ? 1.4218 1.3356 1.2477 0.1160 -0.1254 -0.1127 58 SER A OG 225 N N . SER A 32 ? 0.8526 0.7765 0.7587 0.0914 -0.0623 -0.1027 59 SER A N 226 C CA . SER A 32 ? 0.8525 0.7823 0.8074 0.0797 -0.0557 -0.1021 59 SER A CA 227 C C . SER A 32 ? 0.9193 0.8506 0.8821 0.0769 -0.0365 -0.0812 59 SER A C 228 O O . SER A 32 ? 0.8094 0.7425 0.7518 0.0826 -0.0324 -0.0682 59 SER A O 229 C CB . SER A 32 ? 0.9711 0.9188 0.9658 0.0722 -0.0718 -0.1109 59 SER A CB 230 O OG . SER A 32 ? 0.8949 0.8588 0.9011 0.0762 -0.0726 -0.0993 59 SER A OG 231 N N . THR A 33 ? 0.7309 0.6559 0.7188 0.0673 -0.0269 -0.0780 60 THR A N 232 C CA . THR A 33 ? 0.8347 0.7586 0.8286 0.0632 -0.0122 -0.0597 60 THR A CA 233 C C . THR A 33 ? 0.8632 0.8011 0.8702 0.0597 -0.0115 -0.0512 60 THR A C 234 O O . THR A 33 ? 0.8825 0.8186 0.8864 0.0578 -0.0004 -0.0369 60 THR A O 235 C CB . THR A 33 ? 0.8657 0.7724 0.8766 0.0533 -0.0073 -0.0577 60 THR A CB 236 O OG1 . THR A 33 ? 0.9687 0.8735 1.0021 0.0399 -0.0136 -0.0667 60 THR A OG1 237 C CG2 . THR A 33 ? 0.7738 0.6654 0.7750 0.0622 -0.0079 -0.0661 60 THR A CG2 238 N N . ASN A 34 ? 0.9507 0.9039 0.9752 0.0598 -0.0244 -0.0622 61 ASN A N 239 C CA . ASN A 34 ? 0.9853 0.9560 1.0292 0.0607 -0.0245 -0.0588 61 ASN A CA 240 C C . ASN A 34 ? 0.8687 0.8347 0.8827 0.0759 -0.0289 -0.0488 61 ASN A C 241 O O . ASN A 34 ? 0.8533 0.8262 0.8784 0.0795 -0.0271 -0.0439 61 ASN A O 242 C CB . ASN A 34 ? 1.0479 1.0429 1.1293 0.0580 -0.0394 -0.0772 61 ASN A CB 243 C CG . ASN A 34 ? 1.5695 1.5682 1.6847 0.0361 -0.0299 -0.0850 61 ASN A CG 244 O OD1 . ASN A 34 ? 1.8133 1.7960 1.9243 0.0237 -0.0115 -0.0735 61 ASN A OD1 245 N ND2 . ASN A 34 ? 1.6897 1.7063 1.8356 0.0296 -0.0438 -0.1043 61 ASN A ND2 246 N N . GLN A 35 ? 0.8958 0.8468 0.8694 0.0838 -0.0331 -0.0464 62 GLN A N 247 C CA . GLN A 35 ? 0.8999 0.8368 0.8355 0.0933 -0.0344 -0.0338 62 GLN A CA 248 C C . GLN A 35 ? 0.8996 0.8270 0.8260 0.0868 -0.0139 -0.0177 62 GLN A C 249 O O . GLN A 35 ? 1.0458 0.9590 0.9463 0.0906 -0.0129 -0.0059 62 GLN A O 250 C CB . GLN A 35 ? 0.8785 0.8005 0.7667 0.0995 -0.0419 -0.0370 62 GLN A CB 251 C CG . GLN A 35 ? 0.9822 0.9060 0.8632 0.1095 -0.0697 -0.0503 62 GLN A CG 252 C CD . GLN A 35 ? 1.1031 1.0040 0.9209 0.1146 -0.0759 -0.0513 62 GLN A CD 253 O OE1 . GLN A 35 ? 1.0448 0.9466 0.8536 0.1149 -0.0851 -0.0677 62 GLN A OE1 254 N NE2 . GLN A 35 ? 1.2060 1.0827 0.9754 0.1164 -0.0695 -0.0343 62 GLN A NE2 255 N N . LEU A 36 ? 0.8457 0.7768 0.7905 0.0769 -0.0005 -0.0170 63 LEU A N 256 C CA . LEU A 36 ? 0.8509 0.7759 0.7915 0.0705 0.0145 -0.0041 63 LEU A CA 257 C C . LEU A 36 ? 0.8501 0.7770 0.8125 0.0645 0.0188 0.0005 63 LEU A C 258 O O . LEU A 36 ? 0.8680 0.8030 0.8560 0.0592 0.0177 -0.0070 63 LEU A O 259 C CB . LEU A 36 ? 0.7845 0.7104 0.7311 0.0665 0.0220 -0.0069 63 LEU A CB 260 C CG . LEU A 36 ? 0.7984 0.7256 0.7256 0.0723 0.0233 -0.0158 63 LEU A CG 261 C CD1 . LEU A 36 ? 0.7849 0.7144 0.7307 0.0729 0.0267 -0.0247 63 LEU A CD1 262 C CD2 . LEU A 36 ? 0.9080 0.8329 0.8060 0.0709 0.0342 -0.0068 63 LEU A CD2 263 N N . ARG A 37 ? 0.7343 0.6523 0.6843 0.0631 0.0254 0.0115 64 ARG A N 264 C CA . ARG A 37 ? 0.8148 0.7317 0.7779 0.0580 0.0313 0.0139 64 ARG A CA 265 C C . ARG A 37 ? 0.8284 0.7324 0.7764 0.0504 0.0402 0.0252 64 ARG A C 266 O O . ARG A 37 ? 0.8179 0.7147 0.7468 0.0506 0.0413 0.0318 64 ARG A O 267 C CB . ARG A 37 ? 0.7401 0.6582 0.7071 0.0686 0.0248 0.0101 64 ARG A CB 268 C CG . ARG A 37 ? 0.8400 0.7753 0.8271 0.0780 0.0106 -0.0033 64 ARG A CG 269 C CD . ARG A 37 ? 0.7883 0.7451 0.8136 0.0678 0.0163 -0.0150 64 ARG A CD 270 N NE . ARG A 37 ? 0.9090 0.8853 0.9573 0.0737 0.0008 -0.0299 64 ARG A NE 271 C CZ . ARG A 37 ? 1.0119 1.0065 1.0846 0.0862 -0.0121 -0.0412 64 ARG A CZ 272 N NH1 . ARG A 37 ? 0.9466 0.9395 1.0230 0.0958 -0.0097 -0.0396 64 ARG A NH1 273 N NH2 . ARG A 37 ? 0.9271 0.9413 1.0226 0.0904 -0.0298 -0.0561 64 ARG A NH2 274 N N . SER A 38 ? 0.6860 0.5864 0.6408 0.0415 0.0468 0.0266 65 SER A N 275 C CA . SER A 38 ? 0.7718 0.6586 0.7117 0.0339 0.0517 0.0350 65 SER A CA 276 C C . SER A 38 ? 0.8032 0.6826 0.7403 0.0332 0.0579 0.0324 65 SER A C 277 O O . SER A 38 ? 0.8466 0.7343 0.7985 0.0313 0.0635 0.0244 65 SER A O 278 C CB . SER A 38 ? 0.7882 0.6700 0.7286 0.0249 0.0510 0.0386 65 SER A CB 279 O OG . SER A 38 ? 0.8281 0.7075 0.7754 0.0190 0.0543 0.0347 65 SER A OG 280 N N . VAL A 39 ? 0.7605 0.6244 0.6801 0.0336 0.0585 0.0370 66 VAL A N 281 C CA . VAL A 39 ? 0.8525 0.7059 0.7684 0.0371 0.0635 0.0315 66 VAL A CA 282 C C . VAL A 39 ? 0.8807 0.7119 0.7728 0.0269 0.0665 0.0368 66 VAL A C 283 O O . VAL A 39 ? 0.8739 0.6994 0.7557 0.0196 0.0619 0.0452 66 VAL A O 284 C CB . VAL A 39 ? 0.8418 0.6900 0.7584 0.0535 0.0555 0.0287 66 VAL A CB 285 C CG1 . VAL A 39 ? 0.8530 0.7245 0.7936 0.0640 0.0482 0.0210 66 VAL A CG1 286 C CG2 . VAL A 39 ? 0.8617 0.6890 0.7516 0.0516 0.0497 0.0407 66 VAL A CG2 287 N N . GLY A 40 ? 0.7977 0.6187 0.6835 0.0259 0.0748 0.0290 67 GLY A N 288 C CA . GLY A 40 ? 0.8248 0.6212 0.6840 0.0159 0.0767 0.0306 67 GLY A CA 289 C C . GLY A 40 ? 0.8859 0.6612 0.7368 0.0256 0.0782 0.0231 67 GLY A C 290 O O . GLY A 40 ? 0.8753 0.6573 0.7410 0.0378 0.0850 0.0102 67 GLY A O 291 N N . LEU A 41 ? 0.8978 0.6473 0.7278 0.0198 0.0715 0.0298 68 LEU A N 292 C CA . LEU A 41 ? 0.9350 0.6519 0.7502 0.0277 0.0696 0.0248 68 LEU A CA 293 C C . LEU A 41 ? 0.9767 0.6679 0.7657 0.0145 0.0728 0.0194 68 LEU A C 294 O O . LEU A 41 ? 1.0510 0.7432 0.8293 -0.0032 0.0687 0.0262 68 LEU A O 295 C CB . LEU A 41 ? 0.8711 0.5685 0.6753 0.0276 0.0595 0.0374 68 LEU A CB 296 C CG . LEU A 41 ? 0.9692 0.6750 0.7829 0.0427 0.0523 0.0428 68 LEU A CG 297 C CD1 . LEU A 41 ? 0.8752 0.5752 0.7010 0.0676 0.0477 0.0305 68 LEU A CD1 298 C CD2 . LEU A 41 ? 0.8948 0.6414 0.7301 0.0402 0.0539 0.0457 68 LEU A CD2 299 N N . ASN A 42 ? 0.8864 0.5544 0.6661 0.0245 0.0782 0.0051 69 ASN A N 300 C CA . ASN A 42 ? 0.9690 0.6104 0.7194 0.0135 0.0828 -0.0048 69 ASN A CA 301 C C . ASN A 42 ? 1.0821 0.6814 0.8086 0.0047 0.0715 -0.0003 69 ASN A C 302 O O . ASN A 42 ? 1.0085 0.5847 0.7357 0.0154 0.0650 0.0034 69 ASN A O 303 C CB . ASN A 42 ? 0.8985 0.5366 0.6515 0.0286 0.0977 -0.0271 69 ASN A CB 304 C CG . ASN A 42 ? 1.1576 0.8379 0.9347 0.0310 0.1131 -0.0335 69 ASN A CG 305 O OD1 . ASN A 42 ? 0.9933 0.6928 0.7686 0.0163 0.1132 -0.0220 69 ASN A OD1 306 N ND2 . ASN A 42 ? 0.8940 0.5885 0.6962 0.0490 0.1259 -0.0532 69 ASN A ND2 307 N N . LEU A 43 ? 0.9495 0.5353 0.6521 -0.0160 0.0675 -0.0005 70 LEU A N 308 C CA . LEU A 43 ? 1.0755 0.6210 0.7566 -0.0295 0.0575 0.0007 70 LEU A CA 309 C C . LEU A 43 ? 1.1892 0.6885 0.8530 -0.0148 0.0602 -0.0138 70 LEU A C 310 O O . LEU A 43 ? 1.1504 0.6077 0.7988 -0.0209 0.0516 -0.0101 70 LEU A O 311 C CB . LEU A 43 ? 1.0522 0.5935 0.7125 -0.0525 0.0500 -0.0024 70 LEU A CB 312 C CG . LEU A 43 ? 1.1323 0.7101 0.8097 -0.0686 0.0395 0.0103 70 LEU A CG 313 C CD1 . LEU A 43 ? 1.1153 0.6776 0.7714 -0.0905 0.0245 0.0047 70 LEU A CD1 314 C CD2 . LEU A 43 ? 1.1497 0.7467 0.8565 -0.0717 0.0375 0.0250 70 LEU A CD2 315 N N . GLU A 44 ? 1.2065 0.7115 0.8728 0.0036 0.0729 -0.0318 71 GLU A N 316 C CA . GLU A 44 ? 1.3209 0.7883 0.9803 0.0246 0.0759 -0.0502 71 GLU A CA 317 C C . GLU A 44 ? 1.2226 0.6633 0.8904 0.0395 0.0625 -0.0391 71 GLU A C 318 O O . GLU A 44 ? 1.0826 0.4664 0.7275 0.0432 0.0540 -0.0435 71 GLU A O 319 C CB . GLU A 44 ? 1.1840 0.6833 0.8652 0.0451 0.0945 -0.0704 71 GLU A CB 320 C CG . GLU A 44 ? 1.4474 0.9326 1.1011 0.0411 0.1108 -0.0951 71 GLU A CG 321 C CD . GLU A 44 ? 1.3213 0.8433 1.0036 0.0601 0.1343 -0.1170 71 GLU A CD 322 O OE1 . GLU A 44 ? 1.1836 0.7433 0.9110 0.0760 0.1340 -0.1125 71 GLU A OE1 323 O OE2 . GLU A 44 ? 1.5929 1.1078 1.2529 0.0576 0.1538 -0.1402 71 GLU A OE2 324 N N . GLY A 45 ? 1.0188 0.4939 0.7133 0.0474 0.0593 -0.0243 72 GLY A N 325 C CA . GLY A 45 ? 1.1729 0.6230 0.8684 0.0631 0.0453 -0.0124 72 GLY A CA 326 C C . GLY A 45 ? 1.1843 0.5894 0.8477 0.0412 0.0349 0.0075 72 GLY A C 327 O O . GLY A 45 ? 1.2402 0.6117 0.8908 0.0513 0.0232 0.0198 72 GLY A O 328 N N . ASN A 46 ? 1.1535 0.5563 0.8026 0.0104 0.0382 0.0108 73 ASN A N 329 C CA . ASN A 46 ? 1.1555 0.5214 0.7803 -0.0164 0.0320 0.0267 73 ASN A CA 330 C C . ASN A 46 ? 1.2052 0.5077 0.7983 -0.0271 0.0270 0.0159 73 ASN A C 331 O O . ASN A 46 ? 1.3511 0.6169 0.9231 -0.0536 0.0227 0.0273 73 ASN A O 332 C CB . ASN A 46 ? 1.1203 0.5350 0.7617 -0.0453 0.0366 0.0367 73 ASN A CB 333 C CG . ASN A 46 ? 1.0574 0.5288 0.7274 -0.0358 0.0412 0.0464 73 ASN A CG 334 O OD1 . ASN A 46 ? 1.0881 0.5554 0.7590 -0.0150 0.0389 0.0520 73 ASN A OD1 335 N ND2 . ASN A 46 ? 0.9742 0.4957 0.6667 -0.0499 0.0446 0.0474 73 ASN A ND2 336 N N . GLY A 47 ? 1.2747 0.5338 0.7960 0.0033 0.1921 0.0085 74 GLY A N 337 C CA . GLY A 47 ? 1.3372 0.5444 0.8259 -0.0034 0.2022 0.0008 74 GLY A CA 338 C C . GLY A 47 ? 1.3070 0.5359 0.8187 -0.0293 0.2006 -0.0131 74 GLY A C 339 O O . GLY A 47 ? 1.4725 0.6558 0.9571 -0.0399 0.2095 -0.0216 74 GLY A O 340 N N . VAL A 48 ? 1.1897 0.4840 0.7477 -0.0389 0.1889 -0.0163 75 VAL A N 341 C CA . VAL A 48 ? 1.1722 0.4887 0.7503 -0.0618 0.1853 -0.0300 75 VAL A CA 342 C C . VAL A 48 ? 1.3080 0.6140 0.8703 -0.0467 0.1810 -0.0366 75 VAL A C 343 O O . VAL A 48 ? 1.3389 0.6499 0.8950 -0.0179 0.1764 -0.0300 75 VAL A O 344 C CB . VAL A 48 ? 1.1384 0.5248 0.7652 -0.0711 0.1731 -0.0305 75 VAL A CB 345 C CG1 . VAL A 48 ? 1.0906 0.4871 0.7317 -0.0841 0.1783 -0.0245 75 VAL A CG1 346 C CG2 . VAL A 48 ? 1.0633 0.4892 0.7071 -0.0454 0.1606 -0.0234 75 VAL A CG2 347 N N . ALA A 49 ? 1.2694 0.5616 0.8257 -0.0662 0.1828 -0.0507 76 ALA A N 348 C CA . ALA A 49 ? 1.3048 0.5909 0.8469 -0.0536 0.1784 -0.0587 76 ALA A CA 349 C C . ALA A 49 ? 1.2431 0.5933 0.8192 -0.0423 0.1648 -0.0565 76 ALA A C 350 O O . ALA A 49 ? 1.1836 0.5805 0.7943 -0.0567 0.1571 -0.0569 76 ALA A O 351 C CB . ALA A 49 ? 1.1939 0.4541 0.7234 -0.0792 0.1813 -0.0763 76 ALA A CB 352 N N . THR A 50 ? 1.1822 0.5336 0.7476 -0.0157 0.1630 -0.0538 77 THR A N 353 C CA . THR A 50 ? 1.2659 0.6736 0.8609 -0.0033 0.1535 -0.0495 77 THR A CA 354 C C . THR A 50 ? 1.3792 0.7933 0.9660 0.0001 0.1509 -0.0592 77 THR A C 355 O O . THR A 50 ? 1.1068 0.5646 0.7151 0.0086 0.1451 -0.0557 77 THR A O 356 C CB . THR A 50 ? 1.2907 0.7085 0.8893 0.0256 0.1536 -0.0373 77 THR A CB 357 O OG1 . THR A 50 ? 1.3003 0.6729 0.8624 0.0464 0.1609 -0.0393 77 THR A OG1 358 C CG2 . THR A 50 ? 1.0824 0.5016 0.6909 0.0236 0.1535 -0.0274 77 THR A CG2 359 N N . ASP A 51 ? 1.0518 0.4211 0.6059 -0.0062 0.1558 -0.0715 78 ASP A N 360 C CA . ASP A 51 ? 1.1933 0.5657 0.7352 -0.0029 0.1530 -0.0822 78 ASP A CA 361 C C . ASP A 51 ? 1.2313 0.6488 0.7999 -0.0215 0.1419 -0.0874 78 ASP A C 362 O O . ASP A 51 ? 1.1584 0.5925 0.7492 -0.0425 0.1374 -0.0879 78 ASP A O 363 C CB . ASP A 51 ? 1.2131 0.5244 0.7132 -0.0092 0.1594 -0.0963 78 ASP A CB 364 C CG . ASP A 51 ? 1.4162 0.7058 0.9169 -0.0415 0.1600 -0.1050 78 ASP A CG 365 O OD1 . ASP A 51 ? 1.4870 0.7878 0.9932 -0.0621 0.1528 -0.1191 78 ASP A OD1 366 O OD2 . ASP A 51 ? 1.4743 0.7373 0.9703 -0.0462 0.1679 -0.0981 78 ASP A OD2 367 N N . VAL A 52 ? 1.3122 0.7491 0.8767 -0.0117 0.1380 -0.0912 79 VAL A N 368 C CA . VAL A 52 ? 1.2285 0.7080 0.8141 -0.0237 0.1267 -0.0944 79 VAL A CA 369 C C . VAL A 52 ? 1.1993 0.6708 0.7846 -0.0511 0.1192 -0.1099 79 VAL A C 370 O O . VAL A 52 ? 1.2234 0.7315 0.8380 -0.0651 0.1101 -0.1092 79 VAL A O 371 C CB . VAL A 52 ? 1.2893 0.7824 0.8616 -0.0065 0.1262 -0.0954 79 VAL A CB 372 C CG1 . VAL A 52 ? 1.1602 0.6823 0.7397 -0.0187 0.1136 -0.1027 79 VAL A CG1 373 C CG2 . VAL A 52 ? 1.0778 0.6004 0.6687 0.0141 0.1317 -0.0790 79 VAL A CG2 374 N N . PRO A 53 ? 1.2041 0.6310 0.7592 -0.0600 0.1220 -0.1252 80 PRO A N 375 C CA . PRO A 53 ? 1.2573 0.6825 0.8188 -0.0892 0.1144 -0.1419 80 PRO A CA 376 C C . PRO A 53 ? 1.3036 0.7375 0.8936 -0.1092 0.1170 -0.1375 80 PRO A C 377 O O . PRO A 53 ? 1.4328 0.9005 1.0502 -0.1285 0.1073 -0.1448 80 PRO A O 378 C CB . PRO A 53 ? 1.3154 0.6817 0.8361 -0.0934 0.1204 -0.1575 80 PRO A CB 379 C CG . PRO A 53 ? 1.3082 0.6607 0.8012 -0.0635 0.1256 -0.1522 80 PRO A CG 380 C CD . PRO A 53 ? 1.2564 0.6358 0.7707 -0.0440 0.1309 -0.1305 80 PRO A CD 381 N N . SER A 54 ? 1.2236 0.6282 0.8065 -0.1034 0.1299 -0.1260 81 SER A N 382 C CA . SER A 54 ? 1.2498 0.6582 0.8546 -0.1211 0.1348 -0.1209 81 SER A CA 383 C C . SER A 54 ? 1.1972 0.6633 0.8411 -0.1168 0.1272 -0.1085 81 SER A C 384 O O . SER A 54 ? 1.2287 0.7207 0.9004 -0.1363 0.1240 -0.1114 81 SER A O 385 C CB . SER A 54 ? 1.1964 0.5532 0.7757 -0.1121 0.1503 -0.1110 81 SER A CB 386 O OG . SER A 54 ? 1.3879 0.6850 0.9283 -0.1171 0.1583 -0.1227 81 SER A OG 387 N N . ALA A 55 ? 1.2449 0.7319 0.8919 -0.0918 0.1248 -0.0955 82 ALA A N 388 C CA . ALA A 55 ? 1.0959 0.6306 0.7768 -0.0871 0.1188 -0.0829 82 ALA A CA 389 C C . ALA A 55 ? 1.2462 0.8252 0.9510 -0.0985 0.1052 -0.0903 82 ALA A C 390 O O . ALA A 55 ? 1.1337 0.7437 0.8675 -0.1078 0.1009 -0.0870 82 ALA A O 391 C CB . ALA A 55 ? 1.1353 0.6812 0.8149 -0.0599 0.1200 -0.0693 82 ALA A CB 392 N N . THR A 56 ? 1.0144 0.5961 0.7051 -0.0959 0.0979 -0.1005 83 THR A N 393 C CA . THR A 56 ? 1.1315 0.7541 0.8401 -0.1021 0.0832 -0.1069 83 THR A CA 394 C C . THR A 56 ? 1.1289 0.7632 0.8570 -0.1280 0.0774 -0.1212 83 THR A C 395 O O . THR A 56 ? 1.1319 0.8076 0.8843 -0.1323 0.0651 -0.1239 83 THR A O 396 C CB . THR A 56 ? 1.1292 0.7472 0.8120 -0.0924 0.0769 -0.1156 83 THR A CB 397 O OG1 . THR A 56 ? 1.1116 0.6896 0.7678 -0.1024 0.0800 -0.1318 83 THR A OG1 398 C CG2 . THR A 56 ? 1.0658 0.6810 0.7349 -0.0673 0.0840 -0.1013 83 THR A CG2 399 N N . LYS A 57 ? 1.2099 0.8088 0.9281 -0.1450 0.0865 -0.1306 84 LYS A N 400 C CA . LYS A 57 ? 1.0943 0.7063 0.8355 -0.1725 0.0838 -0.1448 84 LYS A CA 401 C C . LYS A 57 ? 1.0555 0.6958 0.8302 -0.1783 0.0875 -0.1342 84 LYS A C 402 O O . LYS A 57 ? 1.1214 0.7858 0.9229 -0.1993 0.0845 -0.1453 84 LYS A O 403 C CB . LYS A 57 ? 1.2076 0.7684 0.9270 -0.1912 0.0955 -0.1571 84 LYS A CB 404 C CG . LYS A 57 ? 1.3629 0.8982 1.0518 -0.1911 0.0894 -0.1737 84 LYS A CG 405 C CD . LYS A 57 ? 1.5215 1.0045 1.1906 -0.2133 0.1008 -0.1878 84 LYS A CD 406 C CE . LYS A 57 ? 1.6840 1.1418 1.3223 -0.2140 0.0930 -0.2068 84 LYS A CE 407 N NZ . LYS A 57 ? 1.7925 1.1960 1.4108 -0.2381 0.1038 -0.2225 84 LYS A NZ 408 N N . ARG A 58 ? 0.9690 0.6088 0.7438 -0.1602 0.0937 -0.1146 85 ARG A N 409 C CA . ARG A 58 ? 1.0745 0.7394 0.8772 -0.1627 0.0966 -0.1042 85 ARG A CA 410 C C . ARG A 58 ? 1.0352 0.7522 0.8641 -0.1533 0.0820 -0.1001 85 ARG A C 411 O O . ARG A 58 ? 0.9844 0.7244 0.8363 -0.1531 0.0830 -0.0918 85 ARG A O 412 C CB . ARG A 58 ? 0.9160 0.5530 0.7043 -0.1474 0.1090 -0.0865 85 ARG A CB 413 C CG . ARG A 58 ? 1.0262 0.6061 0.7844 -0.1540 0.1246 -0.0883 85 ARG A CG 414 C CD . ARG A 58 ? 1.0511 0.6082 0.7979 -0.1393 0.1353 -0.0713 85 ARG A CD 415 N NE . ARG A 58 ? 1.0570 0.6106 0.7902 -0.1118 0.1321 -0.0607 85 ARG A NE 416 C CZ . ARG A 58 ? 1.1947 0.7074 0.8955 -0.0988 0.1383 -0.0601 85 ARG A CZ 417 N NH1 . ARG A 58 ? 1.0751 0.5940 0.7705 -0.0739 0.1354 -0.0513 85 ARG A NH1 418 N NH2 . ARG A 58 ? 1.1228 0.5884 0.7970 -0.1109 0.1479 -0.0690 85 ARG A NH2 419 N N . TRP A 59 ? 0.9810 0.7138 0.8035 -0.1445 0.0690 -0.1053 86 TRP A N 420 C CA . TRP A 59 ? 0.9529 0.7273 0.7924 -0.1326 0.0558 -0.0998 86 TRP A CA 421 C C . TRP A 59 ? 0.9602 0.7615 0.8074 -0.1407 0.0398 -0.1174 86 TRP A C 422 O O . TRP A 59 ? 0.9415 0.7260 0.7712 -0.1485 0.0369 -0.1321 86 TRP A O 423 C CB . TRP A 59 ? 0.9171 0.6844 0.7374 -0.1095 0.0557 -0.0864 86 TRP A CB 424 C CG . TRP A 59 ? 0.9034 0.6416 0.7118 -0.1001 0.0698 -0.0735 86 TRP A CG 425 C CD1 . TRP A 59 ? 0.9253 0.6536 0.7430 -0.1036 0.0793 -0.0660 86 TRP A CD1 426 C CD2 . TRP A 59 ? 0.9465 0.6626 0.7305 -0.0839 0.0756 -0.0674 86 TRP A CD2 427 N NE1 . TRP A 59 ? 0.8904 0.5925 0.6909 -0.0895 0.0886 -0.0561 86 TRP A NE1 428 C CE2 . TRP A 59 ? 0.9851 0.6815 0.7673 -0.0775 0.0868 -0.0571 86 TRP A CE2 429 C CE3 . TRP A 59 ? 1.0330 0.7451 0.7959 -0.0730 0.0728 -0.0700 86 TRP A CE3 430 C CZ2 . TRP A 59 ? 0.9216 0.5985 0.6857 -0.0603 0.0942 -0.0503 86 TRP A CZ2 431 C CZ3 . TRP A 59 ? 0.9024 0.5942 0.6471 -0.0572 0.0825 -0.0626 86 TRP A CZ3 432 C CH2 . TRP A 59 ? 1.0104 0.6868 0.7579 -0.0509 0.0926 -0.0533 86 TRP A CH2 433 N N . GLY A 60 ? 0.9622 0.8050 0.8343 -0.1376 0.0283 -0.1167 87 GLY A N 434 C CA . GLY A 60 ? 0.7997 0.6737 0.6816 -0.1425 0.0106 -0.1338 87 GLY A CA 435 C C . GLY A 60 ? 1.0127 0.9241 0.9083 -0.1267 -0.0029 -0.1270 87 GLY A C 436 O O . GLY A 60 ? 0.8530 0.7708 0.7596 -0.1178 0.0023 -0.1111 87 GLY A O 437 N N . PHE A 61 ? 0.8910 0.8250 0.7834 -0.1223 -0.0213 -0.1399 88 PHE A N 438 C CA . PHE A 61 ? 0.9045 0.8685 0.8013 -0.1039 -0.0360 -0.1341 88 PHE A CA 439 C C . PHE A 61 ? 0.8100 0.8191 0.7462 -0.1115 -0.0462 -0.1454 88 PHE A C 440 O O . PHE A 61 ? 0.8166 0.8423 0.7729 -0.1306 -0.0498 -0.1653 88 PHE A O 441 C CB . PHE A 61 ? 0.8976 0.8588 0.7626 -0.0900 -0.0512 -0.1405 88 PHE A CB 442 C CG . PHE A 61 ? 0.9784 0.9012 0.8048 -0.0770 -0.0407 -0.1264 88 PHE A CG 443 C CD1 . PHE A 61 ? 0.9525 0.8439 0.7554 -0.0841 -0.0334 -0.1341 88 PHE A CD1 444 C CD2 . PHE A 61 ? 0.9695 0.8877 0.7836 -0.0580 -0.0373 -0.1062 88 PHE A CD2 445 C CE1 . PHE A 61 ? 0.9708 0.8308 0.7406 -0.0709 -0.0227 -0.1219 88 PHE A CE1 446 C CE2 . PHE A 61 ? 0.9287 0.8163 0.7118 -0.0474 -0.0259 -0.0940 88 PHE A CE2 447 C CZ . PHE A 61 ? 1.0640 0.9245 0.8258 -0.0530 -0.0186 -0.1019 88 PHE A CZ 448 N N . ARG A 62 ? 0.8085 0.8379 0.7564 -0.0964 -0.0504 -0.1334 89 ARG A N 449 C CA . ARG A 62 ? 0.7587 0.8321 0.7448 -0.0994 -0.0584 -0.1417 89 ARG A CA 450 C C . ARG A 62 ? 0.9243 1.0130 0.9058 -0.0742 -0.0699 -0.1299 89 ARG A C 451 O O . ARG A 62 ? 0.7618 0.8246 0.7229 -0.0611 -0.0622 -0.1100 89 ARG A O 452 C CB . ARG A 62 ? 0.8880 0.9606 0.9011 -0.1156 -0.0397 -0.1374 89 ARG A CB 453 C CG . ARG A 62 ? 0.7162 0.8308 0.7658 -0.1130 -0.0437 -0.1396 89 ARG A CG 454 C CD . ARG A 62 ? 0.7475 0.9055 0.8315 -0.1290 -0.0528 -0.1645 89 ARG A CD 455 N NE . ARG A 62 ? 0.8029 1.0067 0.9214 -0.1216 -0.0590 -0.1677 89 ARG A NE 456 C CZ . ARG A 62 ? 0.8282 1.0427 0.9737 -0.1314 -0.0434 -0.1645 89 ARG A CZ 457 N NH1 . ARG A 62 ? 0.7878 1.0455 0.9633 -0.1218 -0.0499 -0.1684 89 ARG A NH1 458 N NH2 . ARG A 62 ? 0.6933 0.8739 0.8330 -0.1489 -0.0212 -0.1575 89 ARG A NH2 459 N N . SER A 63 ? 0.7087 0.8393 0.7097 -0.0674 -0.0882 -0.1430 90 SER A N 460 C CA . SER A 63 ? 0.6871 0.8325 0.6837 -0.0421 -0.1004 -0.1336 90 SER A CA 461 C C . SER A 63 ? 0.8094 0.9879 0.8457 -0.0434 -0.0978 -0.1346 90 SER A C 462 O O . SER A 63 ? 0.7836 0.9851 0.8545 -0.0638 -0.0910 -0.1475 90 SER A O 463 C CB . SER A 63 ? 0.6843 0.8518 0.6675 -0.0263 -0.1257 -0.1471 90 SER A CB 464 O OG . SER A 63 ? 0.8706 1.0044 0.8103 -0.0207 -0.1277 -0.1441 90 SER A OG 465 N N . GLY A 64 ? 0.7592 0.9376 0.7886 -0.0215 -0.1021 -0.1208 91 GLY A N 466 C CA . GLY A 64 ? 0.6256 0.8359 0.6880 -0.0168 -0.1024 -0.1221 91 GLY A CA 467 C C . GLY A 64 ? 0.7444 0.9347 0.8146 -0.0233 -0.0818 -0.1070 91 GLY A C 468 O O . GLY A 64 ? 0.6684 0.8817 0.7623 -0.0176 -0.0808 -0.1070 91 GLY A O 469 N N . VAL A 65 ? 0.6708 0.8200 0.7210 -0.0333 -0.0661 -0.0948 92 VAL A N 470 C CA . VAL A 65 ? 0.6810 0.8101 0.7363 -0.0393 -0.0479 -0.0818 92 VAL A CA 471 C C . VAL A 65 ? 0.7861 0.8776 0.8103 -0.0253 -0.0449 -0.0618 92 VAL A C 472 O O . VAL A 65 ? 0.7458 0.8107 0.7448 -0.0266 -0.0424 -0.0568 92 VAL A O 473 C CB . VAL A 65 ? 0.7999 0.9140 0.8613 -0.0636 -0.0311 -0.0858 92 VAL A CB 474 C CG1 . VAL A 65 ? 0.7388 0.8308 0.8006 -0.0660 -0.0143 -0.0720 92 VAL A CG1 475 C CG2 . VAL A 65 ? 0.7068 0.8569 0.8005 -0.0810 -0.0318 -0.1062 92 VAL A CG2 476 N N . PRO A 66 ? 0.7457 0.8336 0.7711 -0.0125 -0.0441 -0.0508 93 PRO A N 477 C CA . PRO A 66 ? 0.7435 0.7962 0.7426 -0.0022 -0.0402 -0.0329 93 PRO A CA 478 C C . PRO A 66 ? 0.6825 0.7084 0.6780 -0.0151 -0.0237 -0.0249 93 PRO A C 479 O O . PRO A 66 ? 0.7302 0.7607 0.7434 -0.0260 -0.0142 -0.0278 93 PRO A O 480 C CB . PRO A 66 ? 0.7582 0.8166 0.7637 0.0128 -0.0443 -0.0268 93 PRO A CB 481 C CG . PRO A 66 ? 0.8396 0.9397 0.8695 0.0167 -0.0549 -0.0419 93 PRO A CG 482 C CD . PRO A 66 ? 0.7527 0.8707 0.8027 -0.0048 -0.0487 -0.0557 93 PRO A CD 483 N N . PRO A 67 ? 0.7466 0.7447 0.7188 -0.0131 -0.0193 -0.0149 94 PRO A N 484 C CA . PRO A 67 ? 0.7732 0.7487 0.7430 -0.0223 -0.0051 -0.0079 94 PRO A CA 485 C C . PRO A 67 ? 0.7692 0.7371 0.7472 -0.0188 0.0000 0.0014 94 PRO A C 486 O O . PRO A 67 ? 0.7978 0.7684 0.7761 -0.0078 -0.0062 0.0061 94 PRO A O 487 C CB . PRO A 67 ? 0.7876 0.7415 0.7322 -0.0181 -0.0031 -0.0006 94 PRO A CB 488 C CG . PRO A 67 ? 0.9343 0.8921 0.8648 -0.0039 -0.0146 0.0020 94 PRO A CG 489 C CD . PRO A 67 ? 0.7404 0.7283 0.6866 -0.0024 -0.0268 -0.0112 94 PRO A CD 490 N N . LYS A 68 ? 0.6487 0.6044 0.6307 -0.0271 0.0108 0.0036 95 LYS A N 491 C CA . LYS A 68 ? 0.7349 0.6828 0.7234 -0.0245 0.0151 0.0105 95 LYS A CA 492 C C . LYS A 68 ? 0.7558 0.6827 0.7368 -0.0276 0.0238 0.0169 95 LYS A C 493 O O . LYS A 68 ? 0.7715 0.6909 0.7457 -0.0338 0.0293 0.0139 95 LYS A O 494 C CB . LYS A 68 ? 0.6279 0.5888 0.6322 -0.0293 0.0184 0.0039 95 LYS A CB 495 C CG . LYS A 68 ? 0.6991 0.6865 0.7164 -0.0242 0.0100 -0.0031 95 LYS A CG 496 C CD . LYS A 68 ? 0.7008 0.6856 0.7168 -0.0102 0.0039 0.0037 95 LYS A CD 497 C CE . LYS A 68 ? 0.7190 0.7281 0.7425 -0.0001 -0.0072 -0.0026 95 LYS A CE 498 N NZ . LYS A 68 ? 0.6052 0.6445 0.6512 -0.0063 -0.0050 -0.0149 95 LYS A NZ 499 N N . VAL A 69 ? 0.7197 0.6374 0.7022 -0.0224 0.0243 0.0245 96 VAL A N 500 C CA . VAL A 69 ? 0.6588 0.5621 0.6383 -0.0230 0.0302 0.0299 96 VAL A CA 501 C C . VAL A 69 ? 0.8783 0.7776 0.8650 -0.0209 0.0307 0.0313 96 VAL A C 502 O O . VAL A 69 ? 0.6859 0.5890 0.6778 -0.0168 0.0258 0.0319 96 VAL A O 503 C CB . VAL A 69 ? 0.7510 0.6481 0.7250 -0.0194 0.0298 0.0373 96 VAL A CB 504 C CG1 . VAL A 69 ? 0.7194 0.6086 0.6978 -0.0197 0.0352 0.0415 96 VAL A CG1 505 C CG2 . VAL A 69 ? 0.7729 0.6701 0.7338 -0.0200 0.0306 0.0360 96 VAL A CG2 506 N N . VAL A 70 ? 0.6641 0.5541 0.6485 -0.0220 0.0361 0.0314 97 VAL A N 507 C CA . VAL A 70 ? 0.7288 0.6129 0.7157 -0.0181 0.0355 0.0324 97 VAL A CA 508 C C . VAL A 70 ? 0.8193 0.6963 0.8056 -0.0152 0.0373 0.0348 97 VAL A C 509 O O . VAL A 70 ? 0.7223 0.5954 0.7025 -0.0164 0.0424 0.0345 97 VAL A O 510 C CB . VAL A 70 ? 0.7664 0.6467 0.7482 -0.0200 0.0402 0.0282 97 VAL A CB 511 C CG1 . VAL A 70 ? 0.8150 0.6851 0.7864 -0.0250 0.0482 0.0260 97 VAL A CG1 512 C CG2 . VAL A 70 ? 0.7248 0.5968 0.7041 -0.0134 0.0387 0.0293 97 VAL A CG2 513 N N . ASN A 71 ? 0.7334 0.6101 0.7267 -0.0108 0.0325 0.0362 98 ASN A N 514 C CA . ASN A 71 ? 0.7723 0.6491 0.7707 -0.0073 0.0325 0.0369 98 ASN A CA 515 C C . ASN A 71 ? 0.8500 0.7173 0.8385 -0.0006 0.0333 0.0344 98 ASN A C 516 O O . ASN A 71 ? 0.6999 0.5585 0.6778 0.0008 0.0338 0.0330 98 ASN A O 517 C CB . ASN A 71 ? 0.7275 0.6101 0.7406 -0.0070 0.0261 0.0377 98 ASN A CB 518 C CG . ASN A 71 ? 0.9689 0.8476 0.9818 -0.0016 0.0188 0.0342 98 ASN A CG 519 O OD1 . ASN A 71 ? 0.9280 0.8007 0.9316 0.0000 0.0179 0.0331 98 ASN A OD1 520 N ND2 . ASN A 71 ? 0.7320 0.6157 0.7555 0.0018 0.0134 0.0315 98 ASN A ND2 521 N N . TYR A 72 ? 0.8126 0.6807 0.8029 0.0046 0.0343 0.0340 99 TYR A N 522 C CA . TYR A 72 ? 0.8366 0.6947 0.8159 0.0150 0.0328 0.0320 99 TYR A CA 523 C C . TYR A 72 ? 0.8170 0.6890 0.8123 0.0219 0.0276 0.0301 99 TYR A C 524 O O . TYR A 72 ? 0.7572 0.6437 0.7690 0.0171 0.0300 0.0310 99 TYR A O 525 C CB . TYR A 72 ? 0.7979 0.6377 0.7559 0.0163 0.0419 0.0323 99 TYR A CB 526 C CG . TYR A 72 ? 0.8135 0.6557 0.7725 0.0161 0.0476 0.0324 99 TYR A CG 527 C CD1 . TYR A 72 ? 0.8303 0.6783 0.7927 0.0061 0.0520 0.0332 99 TYR A CD1 528 C CD2 . TYR A 72 ? 0.7389 0.5768 0.6928 0.0280 0.0482 0.0313 99 TYR A CD2 529 C CE1 . TYR A 72 ? 0.7713 0.6195 0.7309 0.0070 0.0578 0.0329 99 TYR A CE1 530 C CE2 . TYR A 72 ? 0.7658 0.6054 0.7192 0.0294 0.0545 0.0309 99 TYR A CE2 531 C CZ . TYR A 72 ? 0.8169 0.6609 0.7725 0.0184 0.0598 0.0317 99 TYR A CZ 532 O OH . TYR A 72 ? 0.7000 0.5440 0.6518 0.0205 0.0665 0.0309 99 TYR A OH 533 N N . GLU A 73 ? 0.7911 0.6596 0.7813 0.0338 0.0206 0.0270 100 GLU A N 534 C CA . GLU A 73 ? 0.7867 0.6750 0.7980 0.0403 0.0121 0.0225 100 GLU A CA 535 C C . GLU A 73 ? 0.8272 0.7192 0.8371 0.0527 0.0139 0.0207 100 GLU A C 536 O O . GLU A 73 ? 0.7532 0.6696 0.7882 0.0556 0.0097 0.0165 100 GLU A O 537 C CB . GLU A 73 ? 0.8266 0.7133 0.8356 0.0479 -0.0006 0.0179 100 GLU A CB 538 C CG . GLU A 73 ? 0.8943 0.7777 0.9053 0.0382 -0.0033 0.0185 100 GLU A CG 539 C CD . GLU A 73 ? 0.9314 0.8073 0.9319 0.0474 -0.0147 0.0136 100 GLU A CD 540 O OE1 . GLU A 73 ? 0.9610 0.8430 0.9740 0.0421 -0.0222 0.0101 100 GLU A OE1 541 O OE2 . GLU A 73 ? 0.9175 0.7781 0.8938 0.0607 -0.0159 0.0133 100 GLU A OE2 542 N N . ALA A 74 ? 0.7903 0.6586 0.7722 0.0600 0.0204 0.0230 101 ALA A N 543 C CA . ALA A 74 ? 0.7606 0.6276 0.7364 0.0752 0.0217 0.0211 101 ALA A CA 544 C C . ALA A 74 ? 0.9052 0.7431 0.8521 0.0744 0.0341 0.0249 101 ALA A C 545 O O . ALA A 74 ? 0.7783 0.5941 0.7058 0.0660 0.0392 0.0279 101 ALA A O 546 C CB . ALA A 74 ? 0.7617 0.6240 0.7267 0.0948 0.0099 0.0172 101 ALA A CB 547 N N . GLY A 75 ? 0.7448 0.5835 0.6901 0.0829 0.0393 0.0237 102 GLY A N 548 C CA . GLY A 75 ? 0.7562 0.5666 0.6750 0.0812 0.0509 0.0257 102 GLY A CA 549 C C . GLY A 75 ? 0.7823 0.5776 0.6829 0.1018 0.0525 0.0238 102 GLY A C 550 O O . GLY A 75 ? 0.8345 0.6435 0.7433 0.1195 0.0435 0.0208 102 GLY A O 551 N N . GLU A 76 ? 0.8529 0.6198 0.7285 0.1000 0.0635 0.0246 103 GLU A N 552 C CA . GLU A 76 ? 0.9123 0.6534 0.7616 0.1197 0.0671 0.0233 103 GLU A CA 553 C C . GLU A 76 ? 0.8920 0.6443 0.7495 0.1213 0.0745 0.0203 103 GLU A C 554 O O . GLU A 76 ? 0.9361 0.6944 0.8008 0.1036 0.0809 0.0204 103 GLU A O 555 C CB . GLU A 76 ? 0.8574 0.5468 0.6641 0.1162 0.0754 0.0261 103 GLU A CB 556 C CG . GLU A 76 ? 1.1172 0.7680 0.8881 0.1357 0.0809 0.0255 103 GLU A CG 557 C CD . GLU A 76 ? 1.3141 0.9102 1.0428 0.1284 0.0910 0.0288 103 GLU A CD 558 O OE1 . GLU A 76 ? 1.1015 0.6565 0.7932 0.1464 0.0947 0.0301 103 GLU A OE1 559 O OE2 . GLU A 76 ? 0.9575 0.5519 0.6903 0.1047 0.0958 0.0299 103 GLU A OE2 560 N N . TRP A 77 ? 0.8859 0.6421 0.7416 0.1443 0.0732 0.0172 104 TRP A N 561 C CA . TRP A 77 ? 0.8784 0.6416 0.7371 0.1492 0.0821 0.0139 104 TRP A CA 562 C C . TRP A 77 ? 1.0356 0.7538 0.8575 0.1406 0.0931 0.0142 104 TRP A C 563 O O . TRP A 77 ? 1.0550 0.7293 0.8416 0.1444 0.0949 0.0157 104 TRP A O 564 C CB . TRP A 77 ? 0.9217 0.6937 0.7814 0.1790 0.0787 0.0098 104 TRP A CB 565 C CG . TRP A 77 ? 1.0670 0.8935 0.9718 0.1860 0.0689 0.0063 104 TRP A CG 566 C CD1 . TRP A 77 ? 0.9271 0.7753 0.8536 0.1797 0.0569 0.0066 104 TRP A CD1 567 C CD2 . TRP A 77 ? 0.9300 0.7965 0.8648 0.1999 0.0707 0.0005 104 TRP A CD2 568 N NE1 . TRP A 77 ? 0.8943 0.7933 0.8636 0.1870 0.0504 0.0008 104 TRP A NE1 569 C CE2 . TRP A 77 ? 0.9127 0.8259 0.8898 0.1991 0.0593 -0.0030 104 TRP A CE2 570 C CE3 . TRP A 77 ? 1.0459 0.9143 0.9767 0.2127 0.0816 -0.0030 104 TRP A CE3 571 C CZ2 . TRP A 77 ? 0.8488 0.8129 0.8674 0.2088 0.0590 -0.0100 104 TRP A CZ2 572 C CZ3 . TRP A 77 ? 0.9389 0.8581 0.9095 0.2243 0.0821 -0.0091 104 TRP A CZ3 573 C CH2 . TRP A 77 ? 0.9797 0.9476 0.9956 0.2214 0.0711 -0.0127 104 TRP A CH2 574 N N . ALA A 78 ? 0.9657 0.6929 0.7940 0.1282 0.1008 0.0124 105 ALA A N 575 C CA . ALA A 78 ? 0.9747 0.6641 0.7721 0.1167 0.1095 0.0104 105 ALA A CA 576 C C . ALA A 78 ? 1.1042 0.7788 0.8832 0.1323 0.1177 0.0055 105 ALA A C 577 O O . ALA A 78 ? 1.0208 0.7278 0.8209 0.1437 0.1194 0.0039 105 ALA A O 578 C CB . ALA A 78 ? 0.8594 0.5651 0.6708 0.0916 0.1105 0.0107 105 ALA A CB 579 N N . GLU A 79 ? 1.0744 0.6990 0.8139 0.1323 0.1238 0.0027 106 GLU A N 580 C CA . GLU A 79 ? 1.1406 0.7453 0.8579 0.1447 0.1323 -0.0031 106 GLU A CA 581 C C . GLU A 79 ? 1.1189 0.7283 0.8361 0.1255 0.1373 -0.0074 106 GLU A C 582 O O . GLU A 79 ? 1.1030 0.7238 0.8205 0.1345 0.1431 -0.0111 106 GLU A O 583 C CB . GLU A 79 ? 1.1920 0.7350 0.8629 0.1547 0.1369 -0.0050 106 GLU A CB 584 C CG . GLU A 79 ? 1.3236 0.8582 0.9843 0.1871 0.1341 -0.0034 106 GLU A CG 585 C CD . GLU A 79 ? 1.3381 0.8692 0.9876 0.2111 0.1401 -0.0092 106 GLU A CD 586 O OE1 . GLU A 79 ? 1.4910 0.9813 1.1075 0.2080 0.1488 -0.0145 106 GLU A OE1 587 O OE2 . GLU A 79 ? 1.5404 1.1107 1.2153 0.2332 0.1362 -0.0096 106 GLU A OE2 588 N N . ASN A 80 ? 1.0052 0.6078 0.7218 0.1004 0.1349 -0.0074 107 ASN A N 589 C CA . ASN A 80 ? 1.2213 0.8263 0.9346 0.0826 0.1369 -0.0126 107 ASN A CA 590 C C . ASN A 80 ? 1.0825 0.7265 0.8274 0.0651 0.1300 -0.0083 107 ASN A C 591 O O . ASN A 80 ? 1.0289 0.6757 0.7844 0.0548 0.1247 -0.0046 107 ASN A O 592 C CB . ASN A 80 ? 1.0302 0.5875 0.7105 0.0685 0.1399 -0.0199 107 ASN A CB 593 C CG . ASN A 80 ? 1.1293 0.6392 0.7721 0.0854 0.1475 -0.0246 107 ASN A CG 594 O OD1 . ASN A 80 ? 1.1334 0.6317 0.7586 0.0922 0.1524 -0.0315 107 ASN A OD1 595 N ND2 . ASN A 80 ? 1.0965 0.5753 0.7232 0.0937 0.1489 -0.0208 107 ASN A ND2 596 N N . CYS A 81 ? 1.0369 0.7083 0.7938 0.0630 0.1310 -0.0085 108 CYS A N 597 C CA . CYS A 81 ? 0.9882 0.6896 0.7670 0.0474 0.1253 -0.0051 108 CYS A CA 598 C C . CYS A 81 ? 1.0727 0.7690 0.8345 0.0396 0.1267 -0.0113 108 CYS A C 599 O O . CYS A 81 ? 1.0400 0.7134 0.7760 0.0470 0.1328 -0.0180 108 CYS A O 600 C CB . CYS A 81 ? 0.8900 0.6313 0.7007 0.0542 0.1250 0.0028 108 CYS A CB 601 S SG . CYS A 81 ? 1.0006 0.7538 0.8342 0.0629 0.1193 0.0082 108 CYS A SG 602 N N . TYR A 82 ? 0.9453 0.6618 0.7192 0.0263 0.1204 -0.0095 109 TYR A N 603 C CA . TYR A 82 ? 1.0182 0.7299 0.7738 0.0191 0.1185 -0.0162 109 TYR A CA 604 C C . TYR A 82 ? 1.1320 0.8734 0.9014 0.0172 0.1160 -0.0094 109 TYR A C 605 O O . TYR A 82 ? 0.8966 0.6598 0.6914 0.0139 0.1122 -0.0013 109 TYR A O 606 C CB . TYR A 82 ? 1.0143 0.7094 0.7612 0.0022 0.1109 -0.0253 109 TYR A CB 607 C CG . TYR A 82 ? 0.9953 0.6562 0.7279 0.0014 0.1152 -0.0303 109 TYR A CG 608 C CD1 . TYR A 82 ? 0.9994 0.6261 0.7009 0.0052 0.1207 -0.0398 109 TYR A CD1 609 C CD2 . TYR A 82 ? 1.0034 0.6620 0.7497 -0.0021 0.1146 -0.0253 109 TYR A CD2 610 C CE1 . TYR A 82 ? 0.9683 0.5572 0.6524 0.0048 0.1258 -0.0436 109 TYR A CE1 611 C CE2 . TYR A 82 ? 1.0000 0.6217 0.7277 -0.0020 0.1201 -0.0284 109 TYR A CE2 612 C CZ . TYR A 82 ? 1.1539 0.7397 0.8504 0.0012 0.1259 -0.0373 109 TYR A CZ 613 O OH . TYR A 82 ? 1.0847 0.6273 0.7583 0.0017 0.1326 -0.0398 109 TYR A OH 614 N N . ASN A 83 ? 0.9938 0.7320 0.7421 0.0199 0.1182 -0.0129 110 ASN A N 615 C CA . ASN A 83 ? 0.9196 0.6780 0.6711 0.0209 0.1187 -0.0056 110 ASN A CA 616 C C . ASN A 83 ? 0.9815 0.7279 0.7021 0.0189 0.1137 -0.0140 110 ASN A C 617 O O . ASN A 83 ? 0.9898 0.7177 0.6838 0.0263 0.1198 -0.0211 110 ASN A O 618 C CB . ASN A 83 ? 0.8528 0.6228 0.6108 0.0336 0.1331 0.0023 110 ASN A CB 619 C CG . ASN A 83 ? 0.9845 0.7713 0.7450 0.0331 0.1370 0.0117 110 ASN A CG 620 O OD1 . ASN A 83 ? 0.9902 0.7690 0.7247 0.0332 0.1353 0.0099 110 ASN A OD1 621 N ND2 . ASN A 83 ? 0.8402 0.6484 0.6303 0.0328 0.1421 0.0215 110 ASN A ND2 622 N N . LEU A 84 ? 0.9454 0.7025 0.6683 0.0108 0.1018 -0.0142 111 LEU A N 623 C CA . LEU A 84 ? 1.0302 0.7781 0.7268 0.0076 0.0916 -0.0256 111 LEU A CA 624 C C . LEU A 84 ? 1.1404 0.8967 0.8207 0.0146 0.0900 -0.0192 111 LEU A C 625 O O . LEU A 84 ? 1.0808 0.8535 0.7778 0.0143 0.0888 -0.0078 111 LEU A O 626 C CB . LEU A 84 ? 0.9281 0.6821 0.6392 -0.0068 0.0768 -0.0344 111 LEU A CB 627 C CG . LEU A 84 ? 1.0383 0.7799 0.7618 -0.0165 0.0785 -0.0408 111 LEU A CG 628 C CD1 . LEU A 84 ? 0.9896 0.7397 0.7252 -0.0322 0.0654 -0.0512 111 LEU A CD1 629 C CD2 . LEU A 84 ? 1.0464 0.7576 0.7436 -0.0123 0.0866 -0.0496 111 LEU A CD2 630 N N . GLU A 85 ? 1.0394 0.7808 0.6834 0.0213 0.0898 -0.0270 112 GLU A N 631 C CA . GLU A 85 ? 1.0441 0.7866 0.6615 0.0296 0.0868 -0.0228 112 GLU A CA 632 C C . GLU A 85 ? 1.1797 0.9130 0.7697 0.0280 0.0702 -0.0403 112 GLU A C 633 O O . GLU A 85 ? 1.1223 0.8364 0.6783 0.0351 0.0736 -0.0489 112 GLU A O 634 C CB . GLU A 85 ? 1.0871 0.8202 0.6825 0.0427 0.1065 -0.0138 112 GLU A CB 635 C CG . GLU A 85 ? 1.2538 1.0008 0.8789 0.0435 0.1228 0.0020 112 GLU A CG 636 C CD . GLU A 85 ? 1.4165 1.1737 1.0458 0.0436 0.1238 0.0165 112 GLU A CD 637 O OE1 . GLU A 85 ? 1.4398 1.1922 1.0459 0.0458 0.1114 0.0151 112 GLU A OE1 638 O OE2 . GLU A 85 ? 1.3068 1.0757 0.9614 0.0419 0.1365 0.0286 112 GLU A OE2 639 N N . ILE A 86 ? 1.0927 0.8413 0.6983 0.0192 0.0520 -0.0468 113 ILE A N 640 C CA . ILE A 86 ? 1.1015 0.8485 0.6907 0.0148 0.0336 -0.0663 113 ILE A CA 641 C C . ILE A 86 ? 1.2516 1.0102 0.8231 0.0244 0.0190 -0.0646 113 ILE A C 642 O O . ILE A 86 ? 1.1706 0.9458 0.7606 0.0262 0.0162 -0.0526 113 ILE A O 643 C CB . ILE A 86 ? 1.1701 0.9283 0.7931 -0.0036 0.0240 -0.0783 113 ILE A CB 644 C CG1 . ILE A 86 ? 1.0847 0.8277 0.7230 -0.0106 0.0396 -0.0761 113 ILE A CG1 645 C CG2 . ILE A 86 ? 1.1807 0.9372 0.7892 -0.0109 0.0068 -0.1015 113 ILE A CG2 646 C CD1 . ILE A 86 ? 1.1163 0.8287 0.7228 -0.0059 0.0487 -0.0846 113 ILE A CD1 647 N N . LYS A 87 ? 1.1107 0.8584 0.6437 0.0320 0.0090 -0.0772 114 LYS A N 648 C CA . LYS A 87 ? 1.2187 0.9746 0.7275 0.0440 -0.0081 -0.0787 114 LYS A CA 649 C C . LYS A 87 ? 1.1745 0.9399 0.6791 0.0376 -0.0322 -0.1042 114 LYS A C 650 O O . LYS A 87 ? 1.2428 0.9996 0.7519 0.0250 -0.0324 -0.1204 114 LYS A O 651 C CB . LYS A 87 ? 1.2229 0.9552 0.6801 0.0632 0.0023 -0.0691 114 LYS A CB 652 C CG . LYS A 87 ? 1.2520 0.9768 0.7118 0.0691 0.0269 -0.0446 114 LYS A CG 653 C CD . LYS A 87 ? 1.3759 1.0765 0.7819 0.0869 0.0387 -0.0368 114 LYS A CD 654 C CE . LYS A 87 ? 1.5444 1.2399 0.9556 0.0904 0.0645 -0.0130 114 LYS A CE 655 N NZ . LYS A 87 ? 1.6114 1.3122 1.0592 0.0799 0.0827 -0.0104 114 LYS A NZ 656 N N . LYS A 88 ? 1.1584 0.9413 0.6546 0.0467 -0.0530 -0.1084 115 LYS A N 657 C CA . LYS A 88 ? 1.2946 1.0887 0.7806 0.0446 -0.0780 -0.1340 115 LYS A CA 658 C C . LYS A 88 ? 1.4564 1.2223 0.8827 0.0599 -0.0794 -0.1406 115 LYS A C 659 O O . LYS A 88 ? 1.4765 1.2196 0.8678 0.0760 -0.0634 -0.1226 115 LYS A O 660 C CB . LYS A 88 ? 1.3656 1.1922 0.8650 0.0519 -0.1015 -0.1372 115 LYS A CB 661 C CG . LYS A 88 ? 1.3731 1.2331 0.9329 0.0341 -0.1058 -0.1406 115 LYS A CG 662 C CD . LYS A 88 ? 1.6435 1.5412 1.2178 0.0387 -0.1348 -0.1563 115 LYS A CD 663 C CE . LYS A 88 ? 1.6923 1.6001 1.2634 0.0585 -0.1393 -0.1379 115 LYS A CE 664 N NZ . LYS A 88 ? 1.5822 1.5020 1.1986 0.0481 -0.1255 -0.1232 115 LYS A NZ 665 N N . PRO A 89 ? 1.4830 1.2491 0.8962 0.0546 -0.0973 -0.1670 116 PRO A N 666 C CA . PRO A 89 ? 1.5303 1.2678 0.8823 0.0706 -0.1000 -0.1751 116 PRO A CA 667 C C . PRO A 89 ? 1.4503 1.1833 0.7569 0.0977 -0.1073 -0.1631 116 PRO A C 668 O O . PRO A 89 ? 1.4601 1.1629 0.7110 0.1141 -0.1002 -0.1607 116 PRO A O 669 C CB . PRO A 89 ? 1.4189 1.1663 0.7741 0.0577 -0.1245 -0.2086 116 PRO A CB 670 C CG . PRO A 89 ? 1.4742 1.2621 0.8918 0.0382 -0.1370 -0.2165 116 PRO A CG 671 C CD . PRO A 89 ? 1.4032 1.1921 0.8562 0.0316 -0.1129 -0.1914 116 PRO A CD 672 N N . ASP A 90 ? 1.5414 1.3003 0.8664 0.1042 -0.1203 -0.1550 117 ASP A N 673 C CA . ASP A 90 ? 1.4680 1.2164 0.7463 0.1313 -0.1252 -0.1407 117 ASP A CA 674 C C . ASP A 90 ? 1.5945 1.3215 0.8646 0.1383 -0.0952 -0.1084 117 ASP A C 675 O O . ASP A 90 ? 1.7124 1.4255 0.9439 0.1593 -0.0948 -0.0928 117 ASP A O 676 C CB . ASP A 90 ? 1.5034 1.2870 0.8001 0.1387 -0.1545 -0.1478 117 ASP A CB 677 C CG . ASP A 90 ? 1.6151 1.4251 0.9724 0.1258 -0.1486 -0.1357 117 ASP A CG 678 O OD1 . ASP A 90 ? 1.7143 1.5169 1.1013 0.1097 -0.1238 -0.1232 117 ASP A OD1 679 O OD2 . ASP A 90 ? 1.7441 1.5829 1.1182 0.1335 -0.1697 -0.1394 117 ASP A OD2 680 N N . GLY A 91 ? 1.5777 1.3011 0.8827 0.1215 -0.0704 -0.0986 118 GLY A N 681 C CA . GLY A 91 ? 1.4900 1.1950 0.7903 0.1256 -0.0407 -0.0713 118 GLY A CA 682 C C . GLY A 91 ? 1.4940 1.2173 0.8410 0.1177 -0.0350 -0.0545 118 GLY A C 683 O O . GLY A 91 ? 1.4800 1.1923 0.8353 0.1154 -0.0097 -0.0345 118 GLY A O 684 N N . SER A 92 ? 1.3165 1.0686 0.6950 0.1135 -0.0575 -0.0631 119 SER A N 685 C CA . SER A 92 ? 1.3500 1.1178 0.7688 0.1082 -0.0533 -0.0481 119 SER A CA 686 C C . SER A 92 ? 1.2251 1.0035 0.6962 0.0858 -0.0383 -0.0474 119 SER A C 687 O O . SER A 92 ? 1.2835 1.0667 0.7700 0.0724 -0.0402 -0.0639 119 SER A O 688 C CB . SER A 92 ? 1.3728 1.1700 0.8084 0.1131 -0.0819 -0.0588 119 SER A CB 689 O OG . SER A 92 ? 1.4955 1.3174 0.9546 0.1006 -0.1005 -0.0853 119 SER A OG 690 N N . GLU A 93 ? 1.1962 0.9754 0.6917 0.0825 -0.0235 -0.0282 120 GLU A N 691 C CA . GLU A 93 ? 1.2335 1.0208 0.7745 0.0645 -0.0091 -0.0255 120 GLU A CA 692 C C . GLU A 93 ? 1.2202 1.0364 0.8052 0.0509 -0.0251 -0.0394 120 GLU A C 693 O O . GLU A 93 ? 1.2577 1.0929 0.8518 0.0557 -0.0426 -0.0425 120 GLU A O 694 C CB . GLU A 93 ? 1.1641 0.9451 0.7180 0.0651 0.0094 -0.0025 120 GLU A CB 695 C CG . GLU A 93 ? 1.1372 0.8919 0.6557 0.0744 0.0310 0.0125 120 GLU A CG 696 C CD . GLU A 93 ? 1.2445 0.9931 0.7718 0.0666 0.0506 0.0112 120 GLU A CD 697 O OE1 . GLU A 93 ? 1.2975 1.0567 0.8517 0.0553 0.0463 -0.0016 120 GLU A OE1 698 O OE2 . GLU A 93 ? 1.3753 1.1077 0.8821 0.0725 0.0714 0.0231 120 GLU A OE2 699 N N . CYS A 94 ? 1.0229 0.8414 0.6342 0.0346 -0.0178 -0.0477 121 CYS A N 700 C CA . CYS A 94 ? 1.0754 0.9178 0.7283 0.0191 -0.0278 -0.0598 121 CYS A CA 701 C C . CYS A 94 ? 1.0489 0.9007 0.7394 0.0122 -0.0179 -0.0464 121 CYS A C 702 O O . CYS A 94 ? 1.1139 0.9887 0.8365 0.0040 -0.0272 -0.0527 121 CYS A O 703 C CB . CYS A 94 ? 1.1233 0.9576 0.7806 0.0044 -0.0248 -0.0763 121 CYS A CB 704 S SG . CYS A 94 ? 1.2326 1.0625 0.8557 0.0067 -0.0429 -0.1005 121 CYS A SG 705 N N . LEU A 95 ? 0.9402 0.7765 0.6283 0.0155 0.0007 -0.0291 122 LEU A N 706 C CA . LEU A 95 ? 0.9853 0.8286 0.7074 0.0087 0.0099 -0.0181 122 LEU A CA 707 C C . LEU A 95 ? 1.0561 0.8954 0.7726 0.0189 0.0151 0.0001 122 LEU A C 708 O O . LEU A 95 ? 0.9369 0.7602 0.6211 0.0297 0.0208 0.0080 122 LEU A O 709 C CB . LEU A 95 ? 0.8387 0.6692 0.5696 0.0016 0.0272 -0.0158 122 LEU A CB 710 C CG . LEU A 95 ? 1.0293 0.8541 0.7608 -0.0088 0.0255 -0.0324 122 LEU A CG 711 C CD1 . LEU A 95 ? 1.0796 0.8852 0.8066 -0.0088 0.0429 -0.0288 122 LEU A CD1 712 C CD2 . LEU A 95 ? 0.9125 0.7541 0.6770 -0.0223 0.0178 -0.0405 122 LEU A CD2 713 N N . PRO A 96 ? 1.0026 0.8535 0.7478 0.0155 0.0142 0.0070 123 PRO A N 714 C CA . PRO A 96 ? 0.9683 0.8114 0.7082 0.0234 0.0194 0.0236 123 PRO A CA 715 C C . PRO A 96 ? 1.0264 0.8575 0.7722 0.0196 0.0398 0.0358 123 PRO A C 716 O O . PRO A 96 ? 0.8536 0.6880 0.6190 0.0113 0.0477 0.0324 123 PRO A O 717 C CB . PRO A 96 ? 0.9855 0.8462 0.7554 0.0205 0.0095 0.0230 123 PRO A CB 718 C CG . PRO A 96 ? 0.8632 0.7369 0.6616 0.0071 0.0100 0.0120 123 PRO A CG 719 C CD . PRO A 96 ? 1.0202 0.8897 0.8012 0.0044 0.0083 -0.0008 123 PRO A CD 720 N N . ALA A 97 ? 0.8853 0.7021 0.6135 0.0264 0.0485 0.0498 124 ALA A N 721 C CA . ALA A 97 ? 1.0131 0.8233 0.7524 0.0215 0.0680 0.0610 124 ALA A CA 722 C C . ALA A 97 ? 0.9908 0.8138 0.7700 0.0125 0.0675 0.0626 124 ALA A C 723 O O . ALA A 97 ? 1.0045 0.8354 0.7963 0.0123 0.0547 0.0603 124 ALA A O 724 C CB . ALA A 97 ? 0.8480 0.6386 0.5607 0.0281 0.0785 0.0757 124 ALA A CB 725 N N . ALA A 98 ? 0.8586 0.6846 0.6572 0.0064 0.0813 0.0656 125 ALA A N 726 C CA . ALA A 98 ? 0.9633 0.8011 0.7973 -0.0009 0.0802 0.0656 125 ALA A CA 727 C C . ALA A 98 ? 0.8050 0.6384 0.6460 -0.0020 0.0789 0.0752 125 ALA A C 728 O O . ALA A 98 ? 0.8897 0.7107 0.7185 -0.0013 0.0899 0.0854 125 ALA A O 729 C CB . ALA A 98 ? 0.8556 0.6992 0.7072 -0.0044 0.0939 0.0660 125 ALA A CB 730 N N . PRO A 99 ? 0.8599 0.7006 0.7183 -0.0037 0.0672 0.0722 126 PRO A N 731 C CA . PRO A 99 ? 0.9225 0.7557 0.7863 -0.0040 0.0658 0.0804 126 PRO A CA 732 C C . PRO A 99 ? 0.9894 0.8215 0.8724 -0.0121 0.0790 0.0867 126 PRO A C 733 O O . PRO A 99 ? 0.7826 0.6263 0.6827 -0.0164 0.0860 0.0831 126 PRO A O 734 C CB . PRO A 99 ? 0.9033 0.7484 0.7853 -0.0041 0.0519 0.0732 126 PRO A CB 735 C CG . PRO A 99 ? 0.9807 0.8373 0.8592 -0.0030 0.0449 0.0622 126 PRO A CG 736 C CD . PRO A 99 ? 0.9300 0.7840 0.8012 -0.0053 0.0558 0.0610 126 PRO A CD 737 N N . ASP A 100 ? 0.8045 0.6222 0.6846 -0.0138 0.0820 0.0955 127 ASP A N 738 C CA . ASP A 100 ? 0.7601 0.5775 0.6612 -0.0240 0.0939 0.1003 127 ASP A CA 739 C C . ASP A 100 ? 0.9093 0.7472 0.8453 -0.0292 0.0887 0.0919 127 ASP A C 740 O O . ASP A 100 ? 0.7598 0.6016 0.7032 -0.0267 0.0755 0.0867 127 ASP A O 741 C CB . ASP A 100 ? 1.0717 0.8661 0.9635 -0.0258 0.0946 0.1091 127 ASP A CB 742 C CG . ASP A 100 ? 1.2768 1.0688 1.1897 -0.0392 0.1084 0.1136 127 ASP A CG 743 O OD1 . ASP A 100 ? 1.3216 1.1319 1.2547 -0.0457 0.1190 0.1109 127 ASP A OD1 744 O OD2 . ASP A 100 ? 1.3492 1.1212 1.2592 -0.0433 0.1086 0.1190 127 ASP A OD2 745 N N . GLY A 101 ? 0.7752 0.6268 0.7313 -0.0348 0.0991 0.0903 128 GLY A N 746 C CA . GLY A 101 ? 0.6919 0.5618 0.6788 -0.0377 0.0939 0.0828 128 GLY A CA 747 C C . GLY A 101 ? 0.7841 0.6656 0.7722 -0.0311 0.0881 0.0745 128 GLY A C 748 O O . GLY A 101 ? 0.8066 0.7000 0.8151 -0.0309 0.0829 0.0686 128 GLY A O 749 N N . ILE A 102 ? 0.7747 0.6507 0.7397 -0.0256 0.0886 0.0734 129 ILE A N 750 C CA . ILE A 102 ? 0.8686 0.7499 0.8313 -0.0210 0.0848 0.0654 129 ILE A CA 751 C C . ILE A 102 ? 0.7455 0.6301 0.7032 -0.0180 0.0973 0.0649 129 ILE A C 752 O O . ILE A 102 ? 0.8399 0.7161 0.7759 -0.0161 0.1041 0.0681 129 ILE A O 753 C CB . ILE A 102 ? 0.8834 0.7571 0.8261 -0.0183 0.0754 0.0617 129 ILE A CB 754 C CG1 . ILE A 102 ? 0.8892 0.7625 0.8384 -0.0195 0.0644 0.0620 129 ILE A CG1 755 C CG2 . ILE A 102 ? 1.0271 0.9020 0.9670 -0.0165 0.0736 0.0531 129 ILE A CG2 756 C CD1 . ILE A 102 ? 0.8662 0.7403 0.8053 -0.0175 0.0547 0.0557 129 ILE A CD1 757 N N . ARG A 103 ? 0.8306 0.7271 0.8068 -0.0157 0.1000 0.0606 130 ARG A N 758 C CA . ARG A 103 ? 0.7696 0.6725 0.7454 -0.0104 0.1118 0.0589 130 ARG A CA 759 C C . ARG A 103 ? 0.8520 0.7493 0.8182 -0.0028 0.1077 0.0511 130 ARG A C 760 O O . ARG A 103 ? 0.7299 0.6206 0.6941 -0.0033 0.0972 0.0476 130 ARG A O 761 C CB . ARG A 103 ? 0.8043 0.7281 0.8116 -0.0122 0.1189 0.0595 130 ARG A CB 762 C CG . ARG A 103 ? 0.8730 0.7991 0.8906 -0.0225 0.1257 0.0670 130 ARG A CG 763 C CD . ARG A 103 ? 0.6977 0.6470 0.7538 -0.0274 0.1269 0.0642 130 ARG A CD 764 N NE . ARG A 103 ? 0.7893 0.7413 0.8581 -0.0261 0.1103 0.0587 130 ARG A NE 765 C CZ . ARG A 103 ? 0.8190 0.7634 0.8922 -0.0334 0.1016 0.0605 130 ARG A CZ 766 N NH1 . ARG A 103 ? 0.7252 0.6572 0.7911 -0.0424 0.1078 0.0681 130 ARG A NH1 767 N NH2 . ARG A 103 ? 0.8253 0.7717 0.9069 -0.0305 0.0875 0.0550 130 ARG A NH2 768 N N . GLY A 104 ? 0.7863 0.6846 0.7455 0.0045 0.1176 0.0486 131 GLY A N 769 C CA . GLY A 104 ? 0.7912 0.6770 0.7349 0.0122 0.1155 0.0415 131 GLY A CA 770 C C . GLY A 104 ? 0.8734 0.7648 0.8339 0.0184 0.1098 0.0379 131 GLY A C 771 O O . GLY A 104 ? 0.7283 0.6393 0.7156 0.0190 0.1089 0.0392 131 GLY A O 772 N N . PHE A 105 ? 0.7216 0.5936 0.6639 0.0228 0.1059 0.0328 132 PHE A N 773 C CA . PHE A 105 ? 0.7722 0.6417 0.7203 0.0316 0.1010 0.0298 132 PHE A CA 774 C C . PHE A 105 ? 0.7154 0.6025 0.6789 0.0448 0.1070 0.0282 132 PHE A C 775 O O . PHE A 105 ? 0.7810 0.6680 0.7358 0.0506 0.1173 0.0268 132 PHE A O 776 C CB . PHE A 105 ? 0.7644 0.6033 0.6839 0.0337 0.1001 0.0252 132 PHE A CB 777 C CG . PHE A 105 ? 0.8440 0.6715 0.7611 0.0414 0.0947 0.0238 132 PHE A CG 778 C CD1 . PHE A 105 ? 0.7235 0.5464 0.6427 0.0338 0.0872 0.0253 132 PHE A CD1 779 C CD2 . PHE A 105 ? 0.8746 0.6938 0.7839 0.0581 0.0975 0.0211 132 PHE A CD2 780 C CE1 . PHE A 105 ? 0.8672 0.6759 0.7786 0.0419 0.0834 0.0248 132 PHE A CE1 781 C CE2 . PHE A 105 ? 0.8836 0.6878 0.7846 0.0676 0.0922 0.0206 132 PHE A CE2 782 C CZ . PHE A 105 ? 0.8187 0.6167 0.7195 0.0591 0.0856 0.0228 132 PHE A CZ 783 N N . PRO A 106 ? 0.7778 0.6821 0.7644 0.0509 0.1007 0.0272 133 PRO A N 784 C CA . PRO A 106 ? 0.8816 0.8149 0.8939 0.0609 0.1055 0.0248 133 PRO A CA 785 C C . PRO A 106 ? 0.8773 0.8061 0.8807 0.0817 0.1071 0.0193 133 PRO A C 786 O O . PRO A 106 ? 0.8425 0.7998 0.8694 0.0914 0.1119 0.0162 133 PRO A O 787 C CB . PRO A 106 ? 0.7908 0.7463 0.8335 0.0568 0.0949 0.0245 133 PRO A CB 788 C CG . PRO A 106 ? 0.6930 0.6238 0.7166 0.0559 0.0837 0.0250 133 PRO A CG 789 C CD . PRO A 106 ? 0.7333 0.6365 0.7274 0.0468 0.0885 0.0280 133 PRO A CD 790 N N . ARG A 107 ? 0.8038 0.6980 0.7748 0.0892 0.1041 0.0178 134 ARG A N 791 C CA . ARG A 107 ? 0.8455 0.7291 0.8030 0.1116 0.1051 0.0131 134 ARG A CA 792 C C . ARG A 107 ? 0.8993 0.7394 0.8146 0.1126 0.1114 0.0120 134 ARG A C 793 O O . ARG A 107 ? 0.9064 0.7138 0.7973 0.1092 0.1068 0.0127 134 ARG A O 794 C CB . ARG A 107 ? 0.8572 0.7397 0.8178 0.1240 0.0923 0.0116 134 ARG A CB 795 C CG . ARG A 107 ? 0.7690 0.6969 0.7727 0.1267 0.0847 0.0091 134 ARG A CG 796 C CD . ARG A 107 ? 0.8036 0.7640 0.8305 0.1424 0.0909 0.0036 134 ARG A CD 797 N NE . ARG A 107 ? 0.8546 0.8622 0.9272 0.1430 0.0833 -0.0009 134 ARG A NE 798 C CZ . ARG A 107 ? 0.8595 0.9016 0.9679 0.1264 0.0900 -0.0005 134 ARG A CZ 799 N NH1 . ARG A 107 ? 0.7704 0.8539 0.9213 0.1256 0.0824 -0.0063 134 ARG A NH1 800 N NH2 . ARG A 107 ? 0.7439 0.7773 0.8440 0.1106 0.1041 0.0053 134 ARG A NH2 801 N N . CYS A 108 ? 0.8643 0.7033 0.7705 0.1170 0.1226 0.0096 135 CYS A N 802 C CA . CYS A 108 ? 0.8991 0.6973 0.7656 0.1173 0.1286 0.0065 135 CYS A CA 803 C C . CYS A 108 ? 0.9674 0.7619 0.8230 0.1395 0.1374 0.0015 135 CYS A C 804 O O . CYS A 108 ? 1.0309 0.8551 0.9048 0.1439 0.1459 0.0008 135 CYS A O 805 C CB . CYS A 108 ? 0.9008 0.6971 0.7602 0.0980 0.1329 0.0077 135 CYS A CB 806 S SG . CYS A 108 ? 1.0311 0.8347 0.9039 0.0743 0.1230 0.0129 135 CYS A SG 807 N N . ARG A 109 ? 0.9792 0.7350 0.8031 0.1539 0.1367 -0.0019 136 ARG A N 808 C CA . ARG A 109 ? 1.0960 0.8418 0.9036 0.1771 0.1451 -0.0074 136 ARG A CA 809 C C . ARG A 109 ? 1.1067 0.8354 0.8911 0.1700 0.1559 -0.0111 136 ARG A C 810 O O . ARG A 109 ? 1.0359 0.7810 0.8240 0.1831 0.1659 -0.0143 136 ARG A O 811 C CB . ARG A 109 ? 1.0785 0.7796 0.8523 0.1952 0.1415 -0.0094 136 ARG A CB 812 C CG . ARG A 109 ? 1.1969 0.8796 0.9475 0.2218 0.1498 -0.0156 136 ARG A CG 813 C CD . ARG A 109 ? 1.1303 0.8651 0.9176 0.2438 0.1509 -0.0177 136 ARG A CD 814 N NE . ARG A 109 ? 1.4370 1.1598 1.2047 0.2692 0.1609 -0.0243 136 ARG A NE 815 C CZ . ARG A 109 ? 1.3333 1.0714 1.1042 0.2681 0.1738 -0.0277 136 ARG A CZ 816 N NH1 . ARG A 109 ? 1.2287 0.9540 0.9796 0.2936 0.1830 -0.0343 136 ARG A NH1 817 N NH2 . ARG A 109 ? 1.0624 0.8261 0.8533 0.2430 0.1780 -0.0243 136 ARG A NH2 818 N N . TYR A 110 ? 1.1543 0.8523 0.9153 0.1499 0.1541 -0.0116 137 TYR A N 819 C CA . TYR A 110 ? 1.0668 0.7479 0.8038 0.1417 0.1612 -0.0166 137 TYR A CA 820 C C . TYR A 110 ? 1.1538 0.8480 0.9013 0.1157 0.1560 -0.0135 137 TYR A C 821 O O . TYR A 110 ? 1.0829 0.7683 0.8330 0.1011 0.1474 -0.0114 137 TYR A O 822 C CB . TYR A 110 ? 1.0607 0.6845 0.7521 0.1448 0.1630 -0.0241 137 TYR A CB 823 C CG . TYR A 110 ? 1.1784 0.7814 0.8524 0.1732 0.1678 -0.0272 137 TYR A CG 824 C CD1 . TYR A 110 ? 1.2249 0.8394 0.8960 0.1935 0.1776 -0.0314 137 TYR A CD1 825 C CD2 . TYR A 110 ? 1.1792 0.7496 0.8373 0.1815 0.1632 -0.0259 137 TYR A CD2 826 C CE1 . TYR A 110 ? 1.3904 0.9873 1.0458 0.2226 0.1814 -0.0349 137 TYR A CE1 827 C CE2 . TYR A 110 ? 1.2723 0.8209 0.9107 0.2108 0.1665 -0.0285 137 TYR A CE2 828 C CZ . TYR A 110 ? 1.3889 0.9521 1.0273 0.2318 0.1750 -0.0334 137 TYR A CZ 829 O OH . TYR A 110 ? 1.3067 0.8497 0.9258 0.2638 0.1777 -0.0367 137 TYR A OH 830 N N . VAL A 111 ? 1.0283 0.7426 0.7798 0.1117 0.1619 -0.0129 138 VAL A N 831 C CA . VAL A 111 ? 0.9700 0.6948 0.7262 0.0911 0.1571 -0.0103 138 VAL A CA 832 C C . VAL A 111 ? 1.1244 0.8209 0.8437 0.0869 0.1592 -0.0186 138 VAL A C 833 O O . VAL A 111 ? 1.1060 0.8043 0.8115 0.0967 0.1689 -0.0208 138 VAL A O 834 C CB . VAL A 111 ? 0.9947 0.7612 0.7805 0.0894 0.1618 -0.0022 138 VAL A CB 835 C CG1 . VAL A 111 ? 0.9324 0.7032 0.7156 0.0714 0.1563 0.0008 138 VAL A CG1 836 C CG2 . VAL A 111 ? 0.8350 0.6297 0.6584 0.0921 0.1580 0.0036 138 VAL A CG2 837 N N . HIS A 112 ? 1.0297 0.7009 0.7333 0.0722 0.1504 -0.0242 139 HIS A N 838 C CA . HIS A 112 ? 1.1893 0.8346 0.8597 0.0656 0.1492 -0.0347 139 HIS A CA 839 C C . HIS A 112 ? 1.1635 0.8319 0.8391 0.0546 0.1440 -0.0324 139 HIS A C 840 O O . HIS A 112 ? 1.1315 0.8116 0.8227 0.0394 0.1336 -0.0304 139 HIS A O 841 C CB . HIS A 112 ? 1.0021 0.6130 0.6573 0.0525 0.1426 -0.0431 139 HIS A CB 842 C CG . HIS A 112 ? 1.2690 0.8505 0.9139 0.0638 0.1478 -0.0437 139 HIS A CG 843 N ND1 . HIS A 112 ? 1.2032 0.7460 0.8138 0.0757 0.1548 -0.0523 139 HIS A ND1 844 C CD2 . HIS A 112 ? 1.1031 0.6849 0.7635 0.0667 0.1466 -0.0368 139 HIS A CD2 845 C CE1 . HIS A 112 ? 1.2251 0.7446 0.8300 0.0861 0.1579 -0.0499 139 HIS A CE1 846 N NE2 . HIS A 112 ? 1.2191 0.7621 0.8533 0.0811 0.1527 -0.0405 139 HIS A NE2 847 N N . LYS A 113 ? 1.0498 0.7235 0.7101 0.0637 0.1516 -0.0325 140 LYS A N 848 C CA . LYS A 113 ? 0.9981 0.6900 0.6569 0.0575 0.1483 -0.0286 140 LYS A CA 849 C C . LYS A 113 ? 1.0451 0.7132 0.6669 0.0530 0.1414 -0.0415 140 LYS A C 850 O O . LYS A 113 ? 1.1639 0.8116 0.7551 0.0639 0.1489 -0.0489 140 LYS A O 851 C CB . LYS A 113 ? 1.0968 0.8098 0.7612 0.0698 0.1629 -0.0192 140 LYS A CB 852 C CG . LYS A 113 ? 1.1937 0.9187 0.8496 0.0652 0.1618 -0.0134 140 LYS A CG 853 C CD . LYS A 113 ? 1.3652 1.1136 1.0359 0.0726 0.1783 -0.0012 140 LYS A CD 854 C CE . LYS A 113 ? 1.4932 1.2473 1.1520 0.0677 0.1777 0.0066 140 LYS A CE 855 N NZ . LYS A 113 ? 1.6413 1.4176 1.3193 0.0701 0.1948 0.0198 140 LYS A NZ 856 N N . VAL A 114 ? 1.0659 0.7384 0.6911 0.0379 0.1265 -0.0453 141 VAL A N 857 C CA . VAL A 114 ? 1.1157 0.7698 0.7116 0.0311 0.1158 -0.0603 141 VAL A CA 858 C C . VAL A 114 ? 1.0596 0.7306 0.6452 0.0325 0.1092 -0.0571 141 VAL A C 859 O O . VAL A 114 ? 1.1620 0.8573 0.7710 0.0271 0.1032 -0.0477 141 VAL A O 860 C CB . VAL A 114 ? 1.1058 0.7533 0.7145 0.0125 0.1034 -0.0699 141 VAL A CB 861 C CG1 . VAL A 114 ? 1.1812 0.8107 0.7620 0.0043 0.0923 -0.0886 141 VAL A CG1 862 C CG2 . VAL A 114 ? 1.1076 0.7352 0.7242 0.0124 0.1114 -0.0696 141 VAL A CG2 863 N N . SER A 115 ? 1.1807 0.8360 0.7277 0.0412 0.1104 -0.0649 142 SER A N 864 C CA . SER A 115 ? 1.2424 0.9061 0.7686 0.0449 0.1027 -0.0638 142 SER A CA 865 C C . SER A 115 ? 1.3748 1.0206 0.8699 0.0405 0.0871 -0.0842 142 SER A C 866 O O . SER A 115 ? 1.4054 1.0245 0.8787 0.0420 0.0906 -0.0970 142 SER A O 867 C CB . SER A 115 ? 1.4119 1.0741 0.9156 0.0620 0.1203 -0.0529 142 SER A CB 868 O OG . SER A 115 ? 1.4898 1.1684 1.0247 0.0651 0.1364 -0.0375 142 SER A OG 869 N N . GLY A 116 ? 1.2533 0.9135 0.7463 0.0356 0.0692 -0.0883 143 GLY A N 870 C CA . GLY A 116 ? 1.4203 1.0688 0.8875 0.0307 0.0517 -0.1099 143 GLY A CA 871 C C . GLY A 116 ? 1.3717 1.0454 0.8487 0.0250 0.0297 -0.1143 143 GLY A C 872 O O . GLY A 116 ? 1.3317 1.0251 0.8194 0.0311 0.0292 -0.0988 143 GLY A O 873 N N . THR A 117 ? 1.3160 0.9884 0.7892 0.0135 0.0114 -0.1365 144 THR A N 874 C CA . THR A 117 ? 1.3469 1.0453 0.8262 0.0104 -0.0125 -0.1456 144 THR A CA 875 C C . THR A 117 ? 1.3304 1.0431 0.8461 -0.0131 -0.0251 -0.1630 144 THR A C 876 O O . THR A 117 ? 1.3085 1.0009 0.8297 -0.0268 -0.0177 -0.1728 144 THR A O 877 C CB . THR A 117 ? 1.2180 0.9056 0.6477 0.0237 -0.0264 -0.1592 144 THR A CB 878 O OG1 . THR A 117 ? 1.3581 1.0187 0.7662 0.0167 -0.0273 -0.1801 144 THR A OG1 879 C CG2 . THR A 117 ? 1.3018 0.9758 0.6933 0.0470 -0.0122 -0.1405 144 THR A CG2 880 N N . GLY A 118 ? 1.3273 1.0744 0.8669 -0.0170 -0.0433 -0.1666 145 GLY A N 881 C CA . GLY A 118 ? 1.2711 1.0401 0.8484 -0.0390 -0.0561 -0.1839 145 GLY A CA 882 C C . GLY A 118 ? 1.2610 1.0707 0.8548 -0.0347 -0.0784 -0.1882 145 GLY A C 883 O O . GLY A 118 ? 1.2299 1.0461 0.8047 -0.0140 -0.0824 -0.1747 145 GLY A O 884 N N . PRO A 119 ? 1.2990 1.1365 0.9282 -0.0535 -0.0927 -0.2071 146 PRO A N 885 C CA . PRO A 119 ? 1.3076 1.1887 0.9552 -0.0475 -0.1159 -0.2139 146 PRO A CA 886 C C . PRO A 119 ? 1.1204 1.0240 0.7984 -0.0414 -0.1100 -0.1925 146 PRO A C 887 O O . PRO A 119 ? 1.3395 1.2655 1.0138 -0.0240 -0.1244 -0.1877 146 PRO A O 888 C CB . PRO A 119 ? 1.2130 1.1177 0.8944 -0.0731 -0.1291 -0.2424 146 PRO A CB 889 C CG . PRO A 119 ? 1.2755 1.1513 0.9697 -0.0951 -0.1066 -0.2412 146 PRO A CG 890 C CD . PRO A 119 ? 1.2890 1.1181 0.9398 -0.0808 -0.0884 -0.2251 146 PRO A CD 891 N N . CYS A 120 ? 1.1855 1.0811 0.8908 -0.0544 -0.0899 -0.1805 147 CYS A N 892 C CA . CYS A 120 ? 1.2688 1.1791 0.9998 -0.0491 -0.0817 -0.1597 147 CYS A CA 893 C C . CYS A 120 ? 1.2168 1.1729 0.9800 -0.0483 -0.1006 -0.1676 147 CYS A C 894 O O . CYS A 120 ? 1.1149 1.0838 0.8711 -0.0288 -0.1090 -0.1565 147 CYS A O 895 C CB . CYS A 120 ? 1.2636 1.1535 0.9626 -0.0264 -0.0724 -0.1361 147 CYS A CB 896 S SG . CYS A 120 ? 1.5372 1.3801 1.1999 -0.0228 -0.0496 -0.1265 147 CYS A SG 897 N N . ALA A 121 ? 1.0367 1.0168 0.8355 -0.0699 -0.1064 -0.1874 148 ALA A N 898 C CA . ALA A 121 ? 1.0145 1.0446 0.8483 -0.0705 -0.1255 -0.2001 148 ALA A CA 899 C C . ALA A 121 ? 1.0466 1.0940 0.9167 -0.0723 -0.1146 -0.1849 148 ALA A C 900 O O . ALA A 121 ? 1.2267 1.2954 1.1373 -0.0922 -0.1094 -0.1935 148 ALA A O 901 C CB . ALA A 121 ? 0.9678 1.0193 0.8263 -0.0945 -0.1357 -0.2299 148 ALA A CB 902 N N . GLY A 122 ? 0.9444 0.9810 0.7978 -0.0512 -0.1104 -0.1620 149 GLY A N 903 C CA . GLY A 122 ? 0.8609 0.9097 0.7425 -0.0497 -0.1013 -0.1470 149 GLY A CA 904 C C . GLY A 122 ? 0.8802 0.9037 0.7362 -0.0299 -0.0925 -0.1213 149 GLY A C 905 O O . GLY A 122 ? 1.0297 1.0196 0.8504 -0.0235 -0.0844 -0.1121 149 GLY A O 906 N N . ASP A 123 ? 0.8765 0.9156 0.7507 -0.0209 -0.0931 -0.1102 150 ASP A N 907 C CA . ASP A 123 ? 0.8937 0.9091 0.7443 -0.0031 -0.0862 -0.0873 150 ASP A CA 908 C C . ASP A 123 ? 0.8841 0.8693 0.7337 -0.0121 -0.0631 -0.0720 150 ASP A C 909 O O . ASP A 123 ? 0.9274 0.8856 0.7500 -0.0022 -0.0542 -0.0566 150 ASP A O 910 C CB . ASP A 123 ? 0.8709 0.9088 0.7396 0.0096 -0.0942 -0.0813 150 ASP A CB 911 C CG . ASP A 123 ? 1.0846 1.1481 0.9450 0.0270 -0.1186 -0.0927 150 ASP A CG 912 O OD1 . ASP A 123 ? 1.2062 1.2623 1.0364 0.0338 -0.1289 -0.1002 150 ASP A OD1 913 O OD2 . ASP A 123 ? 1.1733 1.2645 1.0561 0.0358 -0.1280 -0.0946 150 ASP A OD2 914 N N . PHE A 124 ? 0.7916 0.7814 0.6699 -0.0302 -0.0527 -0.0762 151 PHE A N 915 C CA . PHE A 124 ? 0.7601 0.7239 0.6387 -0.0366 -0.0331 -0.0630 151 PHE A CA 916 C C . PHE A 124 ? 0.8103 0.7647 0.6965 -0.0557 -0.0241 -0.0741 151 PHE A C 917 O O . PHE A 124 ? 0.8965 0.8696 0.7998 -0.0685 -0.0306 -0.0911 151 PHE A O 918 C CB . PHE A 124 ? 0.8182 0.7897 0.7200 -0.0349 -0.0274 -0.0514 151 PHE A CB 919 C CG . PHE A 124 ? 0.8456 0.8162 0.7363 -0.0167 -0.0328 -0.0381 151 PHE A CG 920 C CD1 . PHE A 124 ? 0.8563 0.8003 0.7251 -0.0089 -0.0232 -0.0223 151 PHE A CD1 921 C CD2 . PHE A 124 ? 0.7487 0.7444 0.6513 -0.0074 -0.0466 -0.0417 151 PHE A CD2 922 C CE1 . PHE A 124 ? 0.9649 0.9030 0.8216 0.0056 -0.0262 -0.0098 151 PHE A CE1 923 C CE2 . PHE A 124 ? 0.7996 0.7880 0.6876 0.0101 -0.0509 -0.0290 151 PHE A CE2 924 C CZ . PHE A 124 ? 0.7747 0.7319 0.6386 0.0156 -0.0402 -0.0127 151 PHE A CZ 925 N N . ALA A 125 ? 0.7873 0.7121 0.6608 -0.0575 -0.0086 -0.0646 152 ALA A N 926 C CA . ALA A 125 ? 0.7638 0.6700 0.6374 -0.0727 0.0020 -0.0722 152 ALA A CA 927 C C . ALA A 125 ? 0.7671 0.6689 0.6608 -0.0791 0.0145 -0.0638 152 ALA A C 928 O O . ALA A 125 ? 0.8293 0.7220 0.7211 -0.0696 0.0215 -0.0485 152 ALA A O 929 C CB . ALA A 125 ? 0.7351 0.6099 0.5772 -0.0669 0.0101 -0.0689 152 ALA A CB 930 N N . PHE A 126 ? 0.7630 0.6710 0.6750 -0.0957 0.0176 -0.0742 153 PHE A N 931 C CA . PHE A 126 ? 0.7615 0.6645 0.6894 -0.1022 0.0295 -0.0676 153 PHE A CA 932 C C . PHE A 126 ? 0.9122 0.7816 0.8275 -0.1143 0.0433 -0.0711 153 PHE A C 933 O O . PHE A 126 ? 0.8564 0.7097 0.7553 -0.1207 0.0430 -0.0815 153 PHE A O 934 C CB . PHE A 126 ? 0.8001 0.7363 0.7588 -0.1112 0.0250 -0.0755 153 PHE A CB 935 C CG . PHE A 126 ? 0.7939 0.7602 0.7642 -0.0968 0.0120 -0.0711 153 PHE A CG 936 C CD1 . PHE A 126 ? 0.7903 0.7773 0.7578 -0.0902 -0.0042 -0.0798 153 PHE A CD1 937 C CD2 . PHE A 126 ? 0.8800 0.8514 0.8611 -0.0886 0.0155 -0.0589 153 PHE A CD2 938 C CE1 . PHE A 126 ? 0.9153 0.9250 0.8889 -0.0746 -0.0161 -0.0751 153 PHE A CE1 939 C CE2 . PHE A 126 ? 0.7811 0.7748 0.7698 -0.0746 0.0042 -0.0549 153 PHE A CE2 940 C CZ . PHE A 126 ? 0.8324 0.8442 0.8166 -0.0671 -0.0113 -0.0624 153 PHE A CZ 941 N N . HIS A 127 ? 0.8482 0.7043 0.7682 -0.1165 0.0554 -0.0626 154 HIS A N 942 C CA . HIS A 127 ? 0.8956 0.7160 0.8012 -0.1267 0.0697 -0.0644 154 HIS A CA 943 C C . HIS A 127 ? 0.9243 0.7524 0.8470 -0.1489 0.0746 -0.0770 154 HIS A C 944 O O . HIS A 127 ? 0.8868 0.7380 0.8324 -0.1526 0.0762 -0.0754 154 HIS A O 945 C CB . HIS A 127 ? 0.8167 0.6164 0.7146 -0.1160 0.0797 -0.0490 154 HIS A CB 946 C CG . HIS A 127 ? 0.9535 0.7090 0.8256 -0.1179 0.0925 -0.0481 154 HIS A CG 947 N ND1 . HIS A 127 ? 0.9151 0.6480 0.7827 -0.1338 0.1046 -0.0530 154 HIS A ND1 948 C CD2 . HIS A 127 ? 0.9470 0.6755 0.7952 -0.1049 0.0957 -0.0430 154 HIS A CD2 949 C CE1 . HIS A 127 ? 0.9735 0.6632 0.8120 -0.1294 0.1141 -0.0503 154 HIS A CE1 950 N NE2 . HIS A 127 ? 0.8932 0.5815 0.7208 -0.1110 0.1082 -0.0447 154 HIS A NE2 951 N N . LYS A 128 ? 0.8796 0.6879 0.7913 -0.1641 0.0782 -0.0903 155 LYS A N 952 C CA . LYS A 128 ? 0.9709 0.7891 0.9018 -0.1890 0.0830 -0.1053 155 LYS A CA 953 C C . LYS A 128 ? 1.0018 0.8001 0.9346 -0.1991 0.1020 -0.0986 155 LYS A C 954 O O . LYS A 128 ? 0.9377 0.7520 0.8931 -0.2196 0.1085 -0.1087 155 LYS A O 955 C CB . LYS A 128 ? 0.8958 0.6909 0.8109 -0.2038 0.0828 -0.1216 155 LYS A CB 956 C CG . LYS A 128 ? 0.9734 0.7929 0.8885 -0.1981 0.0631 -0.1333 155 LYS A CG 957 C CD . LYS A 128 ? 0.9690 0.7668 0.8711 -0.2165 0.0629 -0.1528 155 LYS A CD 958 C CE . LYS A 128 ? 1.1189 0.9477 1.0249 -0.2135 0.0413 -0.1683 155 LYS A CE 959 N NZ . LYS A 128 ? 1.2965 1.1097 1.1959 -0.2353 0.0394 -0.1913 155 LYS A NZ 960 N N . GLU A 129 ? 0.9762 0.7410 0.8857 -0.1850 0.1113 -0.0825 156 GLU A N 961 C CA . GLU A 129 ? 0.9949 0.7354 0.8983 -0.1908 0.1291 -0.0746 156 GLU A CA 962 C C . GLU A 129 ? 1.1013 0.8633 1.0170 -0.1756 0.1274 -0.0612 156 GLU A C 963 O O . GLU A 129 ? 0.9550 0.6954 0.8607 -0.1753 0.1410 -0.0526 156 GLU A O 964 C CB . GLU A 129 ? 0.9790 0.6605 0.8423 -0.1852 0.1409 -0.0677 156 GLU A CB 965 C CG . GLU A 129 ? 1.0688 0.7196 0.9162 -0.2034 0.1464 -0.0817 156 GLU A CG 966 C CD . GLU A 129 ? 1.2082 0.8007 1.0128 -0.1920 0.1549 -0.0751 156 GLU A CD 967 O OE1 . GLU A 129 ? 1.4159 0.9746 1.2018 -0.2055 0.1607 -0.0860 156 GLU A OE1 968 O OE2 . GLU A 129 ? 1.2908 0.8717 1.0807 -0.1689 0.1551 -0.0601 156 GLU A OE2 969 N N . GLY A 130 ? 0.9677 0.7683 0.9016 -0.1624 0.1113 -0.0593 157 GLY A N 970 C CA . GLY A 130 ? 0.8365 0.6570 0.7825 -0.1490 0.1086 -0.0485 157 GLY A CA 971 C C . GLY A 130 ? 0.9540 0.7534 0.8800 -0.1280 0.1074 -0.0336 157 GLY A C 972 O O . GLY A 130 ? 0.7829 0.5941 0.7164 -0.1173 0.1054 -0.0252 157 GLY A O 973 N N . ALA A 131 ? 0.9106 0.6805 0.8127 -0.1214 0.1083 -0.0313 158 ALA A N 974 C CA . ALA A 131 ? 0.7952 0.5507 0.6828 -0.1013 0.1064 -0.0191 158 ALA A CA 975 C C . ALA A 131 ? 0.8696 0.6556 0.7716 -0.0891 0.0923 -0.0157 158 ALA A C 976 O O . ALA A 131 ? 0.8617 0.6760 0.7799 -0.0939 0.0837 -0.0218 158 ALA A O 977 C CB . ALA A 131 ? 0.8164 0.5324 0.6749 -0.0969 0.1128 -0.0187 158 ALA A CB 978 N N . PHE A 132 ? 0.8729 0.6527 0.7682 -0.0728 0.0901 -0.0061 159 PHE A N 979 C CA . PHE A 132 ? 0.7673 0.5703 0.6741 -0.0623 0.0799 -0.0015 159 PHE A CA 980 C C . PHE A 132 ? 0.9095 0.7016 0.8027 -0.0541 0.0802 -0.0005 159 PHE A C 981 O O . PHE A 132 ? 0.8279 0.5933 0.7025 -0.0515 0.0874 -0.0013 159 PHE A O 982 C CB . PHE A 132 ? 0.7631 0.5735 0.6787 -0.0515 0.0771 0.0076 159 PHE A CB 983 C CG . PHE A 132 ? 0.8308 0.6554 0.7600 -0.0564 0.0760 0.0070 159 PHE A CG 984 C CD1 . PHE A 132 ? 0.7998 0.6519 0.7466 -0.0568 0.0673 0.0060 159 PHE A CD1 985 C CD2 . PHE A 132 ? 0.7381 0.5467 0.6598 -0.0589 0.0843 0.0079 159 PHE A CD2 986 C CE1 . PHE A 132 ? 0.7979 0.6642 0.7574 -0.0592 0.0667 0.0048 159 PHE A CE1 987 C CE2 . PHE A 132 ? 0.8904 0.7130 0.8240 -0.0625 0.0851 0.0072 159 PHE A CE2 988 C CZ . PHE A 132 ? 0.8354 0.6884 0.7894 -0.0624 0.0760 0.0052 159 PHE A CZ 989 N N . PHE A 133 ? 0.7109 0.5223 0.6116 -0.0490 0.0732 0.0018 160 PHE A N 990 C CA . PHE A 133 ? 0.7951 0.6013 0.6860 -0.0394 0.0749 0.0046 160 PHE A CA 991 C C . PHE A 133 ? 0.7642 0.5804 0.6672 -0.0286 0.0738 0.0140 160 PHE A C 992 O O . PHE A 133 ? 0.7632 0.5978 0.6811 -0.0286 0.0680 0.0181 160 PHE A O 993 C CB . PHE A 133 ? 0.7566 0.5742 0.6438 -0.0412 0.0699 0.0010 160 PHE A CB 994 C CG . PHE A 133 ? 0.8928 0.7059 0.7719 -0.0528 0.0679 -0.0108 160 PHE A CG 995 C CD1 . PHE A 133 ? 0.8261 0.6149 0.6854 -0.0556 0.0738 -0.0179 160 PHE A CD1 996 C CD2 . PHE A 133 ? 0.6977 0.5315 0.5899 -0.0607 0.0596 -0.0160 160 PHE A CD2 997 C CE1 . PHE A 133 ? 0.8534 0.6378 0.7066 -0.0686 0.0714 -0.0307 160 PHE A CE1 998 C CE2 . PHE A 133 ? 0.8086 0.6433 0.6981 -0.0726 0.0567 -0.0291 160 PHE A CE2 999 C CZ . PHE A 133 ? 0.8134 0.6230 0.6838 -0.0779 0.0626 -0.0368 160 PHE A CZ 1000 N N . LEU A 134 ? 0.7856 0.5895 0.6826 -0.0192 0.0789 0.0164 161 LEU A N 1001 C CA . LEU A 134 ? 0.8106 0.6255 0.7217 -0.0096 0.0770 0.0228 161 LEU A CA 1002 C C . LEU A 134 ? 0.9434 0.7719 0.8613 -0.0038 0.0790 0.0258 161 LEU A C 1003 O O . LEU A 134 ? 0.8631 0.6832 0.7689 0.0013 0.0851 0.0236 161 LEU A O 1004 C CB . LEU A 134 ? 0.8203 0.6174 0.7221 -0.0002 0.0799 0.0229 161 LEU A CB 1005 C CG . LEU A 134 ? 0.8844 0.6621 0.7746 -0.0047 0.0813 0.0216 161 LEU A CG 1006 C CD1 . LEU A 134 ? 0.8439 0.6006 0.7192 0.0090 0.0839 0.0232 161 LEU A CD1 1007 C CD2 . LEU A 134 ? 0.7656 0.5593 0.6715 -0.0106 0.0755 0.0237 161 LEU A CD2 1008 N N . TYR A 135 ? 0.7239 0.5714 0.6601 -0.0049 0.0751 0.0307 162 TYR A N 1009 C CA . TYR A 135 ? 0.7362 0.5974 0.6821 -0.0016 0.0792 0.0347 162 TYR A CA 1010 C C . TYR A 135 ? 0.8224 0.6968 0.7899 0.0039 0.0773 0.0367 162 TYR A C 1011 O O . TYR A 135 ? 0.8020 0.6709 0.7696 0.0096 0.0735 0.0345 162 TYR A O 1012 C CB . TYR A 135 ? 0.8043 0.6724 0.7508 -0.0085 0.0771 0.0383 162 TYR A CB 1013 C CG . TYR A 135 ? 0.7987 0.6574 0.7250 -0.0126 0.0758 0.0342 162 TYR A CG 1014 C CD1 . TYR A 135 ? 0.8154 0.6683 0.7246 -0.0100 0.0819 0.0328 162 TYR A CD1 1015 C CD2 . TYR A 135 ? 0.7585 0.6162 0.6836 -0.0186 0.0682 0.0306 162 TYR A CD2 1016 C CE1 . TYR A 135 ? 0.9159 0.7612 0.8063 -0.0135 0.0785 0.0270 162 TYR A CE1 1017 C CE2 . TYR A 135 ? 0.7887 0.6426 0.6994 -0.0229 0.0654 0.0245 162 TYR A CE2 1018 C CZ . TYR A 135 ? 0.9133 0.7605 0.8062 -0.0203 0.0695 0.0224 162 TYR A CZ 1019 O OH . TYR A 135 ? 0.8278 0.6722 0.7061 -0.0244 0.0646 0.0145 162 TYR A OH 1020 N N . ASP A 136 ? 0.6984 0.5893 0.6829 0.0022 0.0799 0.0406 163 ASP A N 1021 C CA . ASP A 136 ? 0.8220 0.7299 0.8314 0.0055 0.0774 0.0404 163 ASP A CA 1022 C C . ASP A 136 ? 0.6912 0.5994 0.7095 0.0015 0.0668 0.0406 163 ASP A C 1023 O O . ASP A 136 ? 0.7493 0.6627 0.7776 -0.0062 0.0650 0.0439 163 ASP A O 1024 C CB . ASP A 136 ? 0.7234 0.6487 0.7502 0.0018 0.0859 0.0436 163 ASP A CB 1025 C CG . ASP A 136 ? 0.8760 0.8233 0.9341 0.0023 0.0826 0.0413 163 ASP A CG 1026 O OD1 . ASP A 136 ? 0.7334 0.6934 0.8095 -0.0062 0.0882 0.0442 163 ASP A OD1 1027 O OD2 . ASP A 136 ? 0.7600 0.7107 0.8237 0.0110 0.0743 0.0362 163 ASP A OD2 1028 N N . ARG A 137 ? 0.8192 0.7184 0.8302 0.0076 0.0605 0.0372 164 ARG A N 1029 C CA . ARG A 137 ? 0.7818 0.6793 0.7972 0.0066 0.0510 0.0365 164 ARG A CA 1030 C C . ARG A 137 ? 0.7954 0.6863 0.8042 -0.0024 0.0491 0.0390 164 ARG A C 1031 O O . ARG A 137 ? 0.6825 0.5746 0.6978 -0.0043 0.0423 0.0391 164 ARG A O 1032 C CB . ARG A 137 ? 0.6689 0.5846 0.7096 0.0073 0.0452 0.0349 164 ARG A CB 1033 C CG . ARG A 137 ? 0.8410 0.7667 0.8900 0.0197 0.0426 0.0300 164 ARG A CG 1034 C CD . ARG A 137 ? 0.8639 0.8157 0.9452 0.0172 0.0390 0.0267 164 ARG A CD 1035 N NE . ARG A 137 ? 0.8684 0.8317 0.9630 0.0072 0.0501 0.0303 164 ARG A NE 1036 C CZ . ARG A 137 ? 0.8915 0.8703 1.0112 -0.0033 0.0510 0.0301 164 ARG A CZ 1037 N NH1 . ARG A 137 ? 0.7897 0.7743 0.9162 -0.0122 0.0640 0.0348 164 ARG A NH1 1038 N NH2 . ARG A 137 ? 0.9224 0.9080 1.0578 -0.0054 0.0395 0.0252 164 ARG A NH2 1039 N N . LEU A 138 ? 0.7244 0.6090 0.7198 -0.0067 0.0543 0.0402 165 LEU A N 1040 C CA . LEU A 138 ? 0.6928 0.5734 0.6807 -0.0126 0.0515 0.0406 165 LEU A CA 1041 C C . LEU A 138 ? 0.7601 0.6306 0.7310 -0.0143 0.0552 0.0368 165 LEU A C 1042 O O . LEU A 138 ? 0.7228 0.5890 0.6848 -0.0130 0.0610 0.0357 165 LEU A O 1043 C CB . LEU A 138 ? 0.6625 0.5482 0.6527 -0.0166 0.0521 0.0451 165 LEU A CB 1044 C CG . LEU A 138 ? 0.7421 0.6328 0.7474 -0.0184 0.0494 0.0489 165 LEU A CG 1045 C CD1 . LEU A 138 ? 0.7178 0.6064 0.7179 -0.0218 0.0541 0.0547 165 LEU A CD1 1046 C CD2 . LEU A 138 ? 0.7568 0.6450 0.7648 -0.0182 0.0408 0.0476 165 LEU A CD2 1047 N N . ALA A 139 ? 0.6942 0.5609 0.6609 -0.0178 0.0526 0.0339 166 ALA A N 1048 C CA . ALA A 139 ? 0.7376 0.5956 0.6914 -0.0230 0.0564 0.0287 166 ALA A CA 1049 C C . ALA A 139 ? 0.8097 0.6786 0.7658 -0.0290 0.0521 0.0261 166 ALA A C 1050 O O . ALA A 139 ? 0.8036 0.6821 0.7692 -0.0286 0.0467 0.0274 166 ALA A O 1051 C CB . ALA A 139 ? 0.6257 0.4710 0.5731 -0.0234 0.0593 0.0265 166 ALA A CB 1052 N N . SER A 140 ? 0.7907 0.6581 0.7372 -0.0331 0.0534 0.0216 167 SER A N 1053 C CA . SER A 140 ? 0.7434 0.6235 0.6910 -0.0367 0.0471 0.0176 167 SER A CA 1054 C C . SER A 140 ? 0.8304 0.7094 0.7740 -0.0462 0.0486 0.0074 167 SER A C 1055 O O . SER A 140 ? 0.8233 0.6855 0.7566 -0.0499 0.0557 0.0043 167 SER A O 1056 C CB . SER A 140 ? 0.7205 0.6020 0.6587 -0.0322 0.0452 0.0206 167 SER A CB 1057 O OG . SER A 140 ? 0.7326 0.6258 0.6685 -0.0328 0.0370 0.0161 167 SER A OG 1058 N N . THR A 141 ? 0.7562 0.6531 0.7083 -0.0499 0.0417 0.0014 168 THR A N 1059 C CA . THR A 141 ? 0.7054 0.6068 0.6589 -0.0613 0.0421 -0.0106 168 THR A CA 1060 C C . THR A 141 ? 0.7741 0.6749 0.7143 -0.0625 0.0375 -0.0173 168 THR A C 1061 O O . THR A 141 ? 0.8437 0.7467 0.7843 -0.0734 0.0371 -0.0292 168 THR A O 1062 C CB . THR A 141 ? 0.7648 0.6920 0.7380 -0.0647 0.0365 -0.0165 168 THR A CB 1063 O OG1 . THR A 141 ? 0.6613 0.6055 0.6367 -0.0545 0.0247 -0.0146 168 THR A OG1 1064 C CG2 . THR A 141 ? 0.7504 0.6758 0.7331 -0.0637 0.0425 -0.0110 168 THR A CG2 1065 N N . VAL A 142 ? 0.6055 0.5023 0.5331 -0.0522 0.0345 -0.0106 169 VAL A N 1066 C CA . VAL A 142 ? 0.7316 0.6262 0.6416 -0.0506 0.0299 -0.0163 169 VAL A CA 1067 C C . VAL A 142 ? 0.7471 0.6215 0.6387 -0.0436 0.0381 -0.0088 169 VAL A C 1068 O O . VAL A 142 ? 0.8129 0.6808 0.7091 -0.0389 0.0450 0.0012 169 VAL A O 1069 C CB . VAL A 142 ? 0.7442 0.6574 0.6531 -0.0426 0.0170 -0.0168 169 VAL A CB 1070 C CG1 . VAL A 142 ? 0.8800 0.8186 0.8111 -0.0471 0.0087 -0.0250 169 VAL A CG1 1071 C CG2 . VAL A 142 ? 0.7837 0.6918 0.6877 -0.0307 0.0183 -0.0021 169 VAL A CG2 1072 N N . ILE A 143 ? 0.8015 0.6681 0.6727 -0.0426 0.0368 -0.0150 170 ILE A N 1073 C CA . ILE A 143 ? 0.8641 0.7130 0.7155 -0.0355 0.0456 -0.0103 170 ILE A CA 1074 C C . ILE A 143 ? 0.8271 0.6803 0.6662 -0.0250 0.0431 -0.0022 170 ILE A C 1075 O O . ILE A 143 ? 0.9452 0.8068 0.7751 -0.0225 0.0323 -0.0066 170 ILE A O 1076 C CB . ILE A 143 ? 0.8786 0.7116 0.7102 -0.0399 0.0470 -0.0226 170 ILE A CB 1077 C CG1 . ILE A 143 ? 0.8553 0.6764 0.6945 -0.0511 0.0521 -0.0296 170 ILE A CG1 1078 C CG2 . ILE A 143 ? 0.7767 0.5931 0.5860 -0.0299 0.0564 -0.0181 170 ILE A CG2 1079 C CD1 . ILE A 143 ? 0.8594 0.6601 0.6780 -0.0575 0.0537 -0.0430 170 ILE A CD1 1080 N N . TYR A 144 ? 0.7955 0.6422 0.6331 -0.0185 0.0534 0.0091 171 TYR A N 1081 C CA . TYR A 144 ? 0.8610 0.7062 0.6841 -0.0100 0.0558 0.0183 171 TYR A CA 1082 C C . TYR A 144 ? 0.9081 0.7394 0.7059 -0.0044 0.0655 0.0174 171 TYR A C 1083 O O . TYR A 144 ? 0.8260 0.6492 0.6237 -0.0052 0.0735 0.0135 171 TYR A O 1084 C CB . TYR A 144 ? 0.8710 0.7204 0.7122 -0.0087 0.0623 0.0311 171 TYR A CB 1085 C CG . TYR A 144 ? 0.9071 0.7678 0.7707 -0.0126 0.0535 0.0318 171 TYR A CG 1086 C CD1 . TYR A 144 ? 0.8183 0.6854 0.6782 -0.0099 0.0422 0.0316 171 TYR A CD1 1087 C CD2 . TYR A 144 ? 0.8673 0.7315 0.7532 -0.0169 0.0562 0.0322 171 TYR A CD2 1088 C CE1 . TYR A 144 ? 0.8315 0.7092 0.7112 -0.0118 0.0351 0.0316 171 TYR A CE1 1089 C CE2 . TYR A 144 ? 0.8434 0.7164 0.7467 -0.0194 0.0492 0.0325 171 TYR A CE2 1090 C CZ . TYR A 144 ? 0.8543 0.7345 0.7553 -0.0171 0.0392 0.0321 171 TYR A CZ 1091 O OH . TYR A 144 ? 0.8474 0.7367 0.7652 -0.0181 0.0331 0.0318 171 TYR A OH 1092 N N . ARG A 145 ? 0.8767 0.7030 0.6497 0.0030 0.0650 0.0213 172 ARG A N 1093 C CA . ARG A 145 ? 0.8792 0.6913 0.6227 0.0097 0.0740 0.0197 172 ARG A CA 1094 C C . ARG A 145 ? 1.0093 0.8191 0.7612 0.0121 0.0928 0.0282 172 ARG A C 1095 O O . ARG A 145 ? 0.8961 0.7133 0.6663 0.0110 0.0995 0.0394 172 ARG A O 1096 C CB . ARG A 145 ? 0.7943 0.5997 0.5062 0.0187 0.0703 0.0240 172 ARG A CB 1097 C CG . ARG A 145 ? 0.9511 0.7400 0.6261 0.0273 0.0795 0.0223 172 ARG A CG 1098 C CD . ARG A 145 ? 1.0240 0.8028 0.6675 0.0375 0.0811 0.0326 172 ARG A CD 1099 N NE . ARG A 145 ? 1.2002 0.9855 0.8418 0.0397 0.0618 0.0311 172 ARG A NE 1100 C CZ . ARG A 145 ? 1.2056 0.9823 0.8277 0.0483 0.0610 0.0426 172 ARG A CZ 1101 N NH1 . ARG A 145 ? 1.2460 1.0062 0.8494 0.0526 0.0801 0.0570 172 ARG A NH1 1102 N NH2 . ARG A 145 ? 1.0485 0.8324 0.6696 0.0528 0.0421 0.0399 172 ARG A NH2 1103 N N . GLY A 146 ? 0.9888 0.7888 0.7280 0.0155 0.1009 0.0216 173 GLY A N 1104 C CA . GLY A 146 ? 0.9577 0.7579 0.7017 0.0210 0.1189 0.0273 173 GLY A CA 1105 C C . GLY A 146 ? 0.9622 0.7777 0.7442 0.0173 0.1235 0.0335 173 GLY A C 1106 O O . GLY A 146 ? 0.9012 0.7259 0.6953 0.0199 0.1370 0.0415 173 GLY A O 1107 N N . THR A 147 ? 0.8639 0.6832 0.6653 0.0110 0.1126 0.0291 174 THR A N 1108 C CA . THR A 147 ? 0.9415 0.7746 0.7762 0.0082 0.1135 0.0341 174 THR A CA 1109 C C . THR A 147 ? 0.9096 0.7364 0.7506 0.0089 0.1111 0.0264 174 THR A C 1110 O O . THR A 147 ? 0.9232 0.7404 0.7573 0.0034 0.1019 0.0192 174 THR A O 1111 C CB . THR A 147 ? 0.9595 0.8008 0.8087 0.0011 0.1031 0.0390 174 THR A CB 1112 O OG1 . THR A 147 ? 0.8894 0.7294 0.7253 0.0022 0.1054 0.0465 174 THR A OG1 1113 C CG2 . THR A 147 ? 0.8429 0.6973 0.7238 -0.0011 0.1041 0.0436 174 THR A CG2 1114 N N . THR A 148 ? 0.8609 0.6932 0.7152 0.0160 0.1196 0.0277 175 THR A N 1115 C CA . THR A 148 ? 0.8916 0.7121 0.7441 0.0210 0.1191 0.0212 175 THR A CA 1116 C C . THR A 148 ? 0.9984 0.8190 0.8658 0.0147 0.1091 0.0212 175 THR A C 1117 O O . THR A 148 ? 0.8091 0.6467 0.7001 0.0126 0.1058 0.0269 175 THR A O 1118 C CB . THR A 148 ? 0.8178 0.6484 0.6820 0.0334 0.1296 0.0227 175 THR A CB 1119 O OG1 . THR A 148 ? 0.8923 0.7215 0.7402 0.0398 0.1412 0.0222 175 THR A OG1 1120 C CG2 . THR A 148 ? 0.8080 0.6229 0.6666 0.0420 0.1283 0.0169 175 THR A CG2 1121 N N . PHE A 149 ? 0.8513 0.6512 0.7037 0.0114 0.1053 0.0142 176 PHE A N 1122 C CA . PHE A 149 ? 0.8652 0.6620 0.7273 0.0052 0.0983 0.0140 176 PHE A CA 1123 C C . PHE A 149 ? 0.9242 0.6943 0.7702 0.0092 0.1015 0.0088 176 PHE A C 1124 O O . PHE A 149 ? 0.9412 0.6917 0.7657 0.0141 0.1073 0.0034 176 PHE A O 1125 C CB . PHE A 149 ? 0.8234 0.6229 0.6850 -0.0082 0.0902 0.0112 176 PHE A CB 1126 C CG . PHE A 149 ? 0.8958 0.6782 0.7351 -0.0145 0.0897 0.0013 176 PHE A CG 1127 C CD1 . PHE A 149 ? 0.8786 0.6399 0.7085 -0.0213 0.0906 -0.0058 176 PHE A CD1 1128 C CD2 . PHE A 149 ? 0.8319 0.6175 0.6579 -0.0143 0.0885 -0.0015 176 PHE A CD2 1129 C CE1 . PHE A 149 ? 0.9725 0.7179 0.7838 -0.0296 0.0899 -0.0167 176 PHE A CE1 1130 C CE2 . PHE A 149 ? 0.9971 0.7680 0.8027 -0.0203 0.0860 -0.0127 176 PHE A CE2 1131 C CZ . PHE A 149 ? 0.9586 0.7104 0.7587 -0.0290 0.0864 -0.0210 176 PHE A CZ 1132 N N . ALA A 150 ? 0.9010 0.6667 0.7542 0.0078 0.0983 0.0107 177 ALA A N 1133 C CA . ALA A 150 ? 0.8805 0.6151 0.7145 0.0088 0.1015 0.0070 177 ALA A CA 1134 C C . ALA A 150 ? 0.9029 0.6329 0.7391 -0.0066 0.0982 0.0054 177 ALA A C 1135 O O . ALA A 150 ? 0.8795 0.6323 0.7358 -0.0116 0.0923 0.0091 177 ALA A O 1136 C CB . ALA A 150 ? 0.8611 0.5909 0.6964 0.0251 0.1025 0.0113 177 ALA A CB 1137 N N . GLU A 151 ? 0.8132 0.5133 0.6289 -0.0145 0.1032 -0.0008 178 GLU A N 1138 C CA . GLU A 151 ? 0.9783 0.6738 0.7970 -0.0300 0.1033 -0.0031 178 GLU A CA 1139 C C . GLU A 151 ? 1.0414 0.7263 0.8587 -0.0232 0.1055 0.0037 178 GLU A C 1140 O O . GLU A 151 ? 1.0457 0.7063 0.8449 -0.0094 0.1097 0.0065 178 GLU A O 1141 C CB . GLU A 151 ? 0.9137 0.5792 0.7117 -0.0434 0.1096 -0.0129 178 GLU A CB 1142 C CG . GLU A 151 ? 0.9250 0.5925 0.7158 -0.0474 0.1073 -0.0216 178 GLU A CG 1143 C CD . GLU A 151 ? 1.1308 0.7625 0.8984 -0.0601 0.1138 -0.0326 178 GLU A CD 1144 O OE1 . GLU A 151 ? 1.0368 0.6739 0.8130 -0.0798 0.1125 -0.0408 178 GLU A OE1 1145 O OE2 . GLU A 151 ? 1.0326 0.6304 0.7741 -0.0504 0.1205 -0.0338 178 GLU A OE2 1146 N N . GLY A 152 ? 0.9646 0.6667 0.7985 -0.0308 0.1022 0.0060 179 GLY A N 1147 C CA . GLY A 152 ? 0.8617 0.5530 0.6908 -0.0233 0.1039 0.0122 179 GLY A CA 1148 C C . GLY A 152 ? 0.9369 0.6448 0.7816 -0.0339 0.1024 0.0129 179 GLY A C 1149 O O . GLY A 152 ? 0.8392 0.5674 0.6996 -0.0475 0.1001 0.0080 179 GLY A O 1150 N N . VAL A 153 ? 0.8367 0.5359 0.6754 -0.0254 0.1031 0.0186 180 VAL A N 1151 C CA . VAL A 153 ? 0.9127 0.6228 0.7612 -0.0319 0.1036 0.0199 180 VAL A CA 1152 C C . VAL A 153 ? 0.9933 0.7103 0.8443 -0.0156 0.0959 0.0261 180 VAL A C 1153 O O . VAL A 153 ? 0.8615 0.5699 0.7035 0.0000 0.0921 0.0288 180 VAL A O 1154 C CB . VAL A 153 ? 0.9890 0.6685 0.8172 -0.0431 0.1178 0.0186 180 VAL A CB 1155 C CG1 . VAL A 153 ? 0.9330 0.6179 0.7700 -0.0645 0.1234 0.0097 180 VAL A CG1 1156 C CG2 . VAL A 153 ? 0.8715 0.5066 0.6645 -0.0319 0.1252 0.0223 180 VAL A CG2 1157 N N . VAL A 154 ? 0.8574 0.5911 0.7211 -0.0187 0.0931 0.0269 181 VAL A N 1158 C CA . VAL A 154 ? 0.8363 0.5814 0.7065 -0.0055 0.0835 0.0306 181 VAL A CA 1159 C C . VAL A 154 ? 0.9375 0.6625 0.7880 -0.0016 0.0892 0.0332 181 VAL A C 1160 O O . VAL A 154 ? 0.8804 0.5978 0.7256 -0.0136 0.1003 0.0319 181 VAL A O 1161 C CB . VAL A 154 ? 0.8704 0.6499 0.7695 -0.0098 0.0741 0.0293 181 VAL A CB 1162 C CG1 . VAL A 154 ? 0.7961 0.5843 0.7014 0.0019 0.0640 0.0315 181 VAL A CG1 1163 C CG2 . VAL A 154 ? 0.8346 0.6295 0.7473 -0.0125 0.0700 0.0280 181 VAL A CG2 1164 N N . ALA A 155 ? 0.7783 0.4965 0.6186 0.0154 0.0818 0.0361 182 ALA A N 1165 C CA . ALA A 155 ? 0.9634 0.6620 0.7810 0.0229 0.0853 0.0389 182 ALA A CA 1166 C C . ALA A 155 ? 0.9369 0.6545 0.7660 0.0349 0.0702 0.0381 182 ALA A C 1167 O O . ALA A 155 ? 0.9023 0.6417 0.7526 0.0395 0.0579 0.0361 182 ALA A O 1168 C CB . ALA A 155 ? 0.8905 0.5484 0.6698 0.0352 0.0919 0.0427 182 ALA A CB 1169 N N . PHE A 156 ? 0.8961 0.6044 0.7107 0.0390 0.0723 0.0391 183 PHE A N 1170 C CA . PHE A 156 ? 0.9327 0.6549 0.7544 0.0496 0.0583 0.0369 183 PHE A CA 1171 C C . PHE A 156 ? 1.0417 0.7353 0.8268 0.0673 0.0573 0.0390 183 PHE A C 1172 O O . PHE A 156 ? 1.0178 0.6832 0.7734 0.0663 0.0722 0.0430 183 PHE A O 1173 C CB . PHE A 156 ? 0.8909 0.6320 0.7301 0.0395 0.0599 0.0347 183 PHE A CB 1174 C CG . PHE A 156 ? 0.8686 0.6355 0.7388 0.0246 0.0602 0.0328 183 PHE A CG 1175 C CD1 . PHE A 156 ? 0.8568 0.6463 0.7520 0.0250 0.0472 0.0309 183 PHE A CD1 1176 C CD2 . PHE A 156 ? 0.9322 0.7001 0.8055 0.0102 0.0735 0.0325 183 PHE A CD2 1177 C CE1 . PHE A 156 ? 0.8357 0.6449 0.7535 0.0136 0.0475 0.0300 183 PHE A CE1 1178 C CE2 . PHE A 156 ? 0.7946 0.5865 0.6936 -0.0010 0.0715 0.0299 183 PHE A CE2 1179 C CZ . PHE A 156 ? 0.8350 0.6457 0.7537 0.0019 0.0585 0.0294 183 PHE A CZ 1180 N N . LEU A 157 ? 0.9234 0.6242 0.7100 0.0831 0.0400 0.0358 184 LEU A N 1181 C CA . LEU A 157 ? 0.9726 0.6468 0.7224 0.1041 0.0351 0.0368 184 LEU A CA 1182 C C . LEU A 157 ? 0.9731 0.6590 0.7252 0.1151 0.0185 0.0310 184 LEU A C 1183 O O . LEU A 157 ? 0.9706 0.6870 0.7574 0.1090 0.0065 0.0252 184 LEU A O 1184 C CB . LEU A 157 ? 1.0242 0.6932 0.7682 0.1183 0.0274 0.0366 184 LEU A CB 1185 C CG . LEU A 157 ? 1.1633 0.8146 0.8986 0.1122 0.0416 0.0413 184 LEU A CG 1186 C CD1 . LEU A 157 ? 1.1507 0.8151 0.8988 0.1246 0.0302 0.0382 184 LEU A CD1 1187 C CD2 . LEU A 157 ? 1.1464 0.7486 0.8314 0.1188 0.0570 0.0482 184 LEU A CD2 1188 N N . ILE A 158 ? 0.9608 0.6182 0.6722 0.1317 0.0181 0.0324 185 ILE A N 1189 C CA . ILE A 158 ? 1.0428 0.7047 0.7465 0.1483 -0.0011 0.0254 185 ILE A CA 1190 C C . ILE A 158 ? 1.1406 0.7878 0.8193 0.1719 -0.0131 0.0244 185 ILE A C 1191 O O . ILE A 158 ? 1.2137 0.8234 0.8493 0.1828 -0.0020 0.0318 185 ILE A O 1192 C CB . ILE A 158 ? 1.2242 0.8650 0.8964 0.1524 0.0063 0.0267 185 ILE A CB 1193 C CG1 . ILE A 158 ? 1.4237 1.0766 1.1167 0.1309 0.0221 0.0286 185 ILE A CG1 1194 C CG2 . ILE A 158 ? 1.1685 0.8184 0.8388 0.1669 -0.0160 0.0169 185 ILE A CG2 1195 C CD1 . ILE A 158 ? 1.4491 1.0830 1.1119 0.1354 0.0324 0.0297 185 ILE A CD1 1196 N N . LEU A 159 ? 1.3618 0.7559 1.0380 0.1826 -0.3033 -0.0141 186 LEU A N 1197 C CA . LEU A 159 ? 1.3313 0.7983 1.0250 0.2103 -0.3404 -0.0328 186 LEU A CA 1198 C C . LEU A 159 ? 1.4554 0.9393 1.0938 0.2391 -0.3750 -0.0594 186 LEU A C 1199 O O . LEU A 159 ? 1.5501 1.0047 1.1606 0.2213 -0.3729 -0.0817 186 LEU A O 1200 C CB . LEU A 159 ? 1.2430 0.7837 1.0266 0.1744 -0.3486 -0.0711 186 LEU A CB 1201 C CG . LEU A 159 ? 1.3486 0.8724 1.1843 0.1392 -0.3120 -0.0513 186 LEU A CG 1202 C CD1 . LEU A 159 ? 1.3137 0.9209 1.2366 0.1044 -0.3181 -0.0902 186 LEU A CD1 1203 C CD2 . LEU A 159 ? 1.2742 0.7705 1.0904 0.1723 -0.2989 -0.0033 186 LEU A CD2 1204 N N . PRO A 160 ? 1.3538 0.8796 0.9677 0.2877 -0.4078 -0.0578 187 PRO A N 1205 C CA . PRO A 160 ? 1.4893 1.0401 1.0469 0.3190 -0.4454 -0.0860 187 PRO A CA 1206 C C . PRO A 160 ? 1.5291 1.1548 1.1435 0.2840 -0.4736 -0.1530 187 PRO A C 1207 O O . PRO A 160 ? 1.6064 1.2764 1.3080 0.2394 -0.4663 -0.1767 187 PRO A O 1208 C CB . PRO A 160 ? 1.3486 0.9426 0.8968 0.3594 -0.4437 -0.0708 187 PRO A CB 1209 C CG . PRO A 160 ? 1.3768 0.9456 0.9523 0.3412 -0.3909 -0.0279 187 PRO A CG 1210 C CD . PRO A 160 ? 1.3752 0.9300 1.0097 0.3052 -0.3894 -0.0316 187 PRO A CD 1211 N N . GLN A 161 ? 1.6655 1.3050 1.2258 0.3021 -0.5047 -0.1852 188 GLN A N 1212 C CA . GLN A 161 ? 1.8543 1.5721 1.4626 0.2693 -0.5378 -0.2556 188 GLN A CA 1213 C C . GLN A 161 ? 1.9519 1.7924 1.6402 0.2793 -0.5715 -0.2824 188 GLN A C 1214 O O . GLN A 161 ? 1.9964 1.8988 1.7789 0.2254 -0.5681 -0.3200 188 GLN A O 1215 C CB . GLN A 161 ? 2.0536 1.7686 1.5778 0.2981 -0.5706 -0.2846 188 GLN A CB 1216 C CG . GLN A 161 ? 2.2257 1.8386 1.6879 0.2765 -0.5402 -0.2817 188 GLN A CG 1217 C CD . GLN A 161 ? 2.1834 1.7858 1.7002 0.2037 -0.5291 -0.3324 188 GLN A CD 1218 O OE1 . GLN A 161 ? 2.0820 1.7159 1.5919 0.1850 -0.5593 -0.3930 188 GLN A OE1 1219 N NE2 . GLN A 161 ? 2.0316 1.5840 1.5972 0.1614 -0.4854 -0.3083 188 GLN A NE2 1220 N N . ALA A 162 ? 1.8808 1.7556 1.5358 0.3460 -0.5919 -0.2596 189 ALA A N 1221 C CA . ALA A 162 ? 1.8910 1.8792 1.6207 0.3641 -0.6079 -0.2765 189 ALA A CA 1222 C C . ALA A 162 ? 1.9877 1.9586 1.7606 0.3657 -0.5836 -0.2386 189 ALA A C 1223 O O . ALA A 162 ? 2.1385 2.0185 1.8961 0.3433 -0.5536 -0.2028 189 ALA A O 1224 C CB . ALA A 162 ? 1.8602 1.8731 1.5349 0.4266 -0.6173 -0.2647 189 ALA A CB 1225 N N . LYS A 163 ? 1.9907 2.0476 1.8179 0.3915 -0.5898 -0.2449 190 LYS A N 1226 C CA . LYS A 163 ? 1.9875 2.0339 1.8558 0.3952 -0.5648 -0.2140 190 LYS A CA 1227 C C . LYS A 163 ? 2.0939 2.2063 1.9736 0.4452 -0.5689 -0.2128 190 LYS A C 1228 O O . LYS A 163 ? 2.2029 2.4177 2.1104 0.4614 -0.6003 -0.2545 190 LYS A O 1229 C CB . LYS A 163 ? 1.9408 2.0438 1.9140 0.3347 -0.5670 -0.2482 190 LYS A CB 1230 N N . LYS A 164 ? 2.0406 2.0907 1.8963 0.4656 -0.5352 -0.1666 191 LYS A N 1231 C CA . LYS A 164 ? 1.9378 2.0295 1.7948 0.5123 -0.5365 -0.1628 191 LYS A CA 1232 C C . LYS A 164 ? 2.0227 2.0568 1.8848 0.5092 -0.4979 -0.1246 191 LYS A C 1233 O O . LYS A 164 ? 2.0085 1.9847 1.8830 0.4697 -0.4710 -0.1041 191 LYS A O 1234 C CB . LYS A 164 ? 1.7773 1.8246 1.5390 0.5576 -0.5401 -0.1442 191 LYS A CB 1235 N N . SER A 184 ? 1.5963 2.6637 2.4894 0.4490 -0.1597 -0.3671 211 SER A N 1236 C CA . SER A 184 ? 1.6768 2.7234 2.5737 0.4410 -0.1118 -0.3617 211 SER A CA 1237 C C . SER A 184 ? 1.5973 2.6401 2.5337 0.3465 -0.0678 -0.3582 211 SER A C 1238 O O . SER A 184 ? 1.5466 2.5263 2.4608 0.2904 -0.0769 -0.3403 211 SER A O 1239 C CB . SER A 184 ? 1.7303 2.5998 2.5122 0.5016 -0.1179 -0.3212 211 SER A CB 1240 O OG . SER A 184 ? 1.7001 2.5362 2.4780 0.4875 -0.0722 -0.3170 211 SER A OG 1241 N N . GLY A 185 ? 1.3731 2.4390 2.3267 0.3175 -0.0156 -0.3615 212 GLY A N 1242 C CA . GLY A 185 ? 1.1084 2.1283 2.0549 0.2170 0.0351 -0.3422 212 GLY A CA 1243 C C . GLY A 185 ? 1.0102 1.8286 1.8412 0.2073 0.0467 -0.2885 212 GLY A C 1244 O O . GLY A 185 ? 0.9988 1.6994 1.7552 0.2583 0.0116 -0.2627 212 GLY A O 1245 N N . TYR A 186 ? 0.8986 1.6806 1.7135 0.1396 0.0980 -0.2719 213 TYR A N 1246 C CA . TYR A 186 ? 0.7785 1.3879 1.4909 0.1216 0.1118 -0.2240 213 TYR A CA 1247 C C . TYR A 186 ? 0.8453 1.4533 1.5370 0.1228 0.1573 -0.2228 213 TYR A C 1248 O O . TYR A 186 ? 0.7827 1.4692 1.5172 0.0697 0.2037 -0.2353 213 TYR A O 1249 C CB . TYR A 186 ? 0.6053 1.1476 1.2970 0.0387 0.1259 -0.1985 213 TYR A CB 1250 C CG . TYR A 186 ? 0.6141 1.0023 1.2090 0.0169 0.1450 -0.1523 213 TYR A CG 1251 C CD1 . TYR A 186 ? 0.6844 0.9630 1.2044 0.0689 0.1206 -0.1282 213 TYR A CD1 1252 C CD2 . TYR A 186 ? 0.6787 1.0308 1.2548 -0.0559 0.1870 -0.1333 213 TYR A CD2 1253 C CE1 . TYR A 186 ? 0.6905 0.8461 1.1295 0.0487 0.1350 -0.0907 213 TYR A CE1 1254 C CE2 . TYR A 186 ? 0.6811 0.9021 1.1679 -0.0683 0.2003 -0.0923 213 TYR A CE2 1255 C CZ . TYR A 186 ? 0.7470 0.8794 1.1706 -0.0161 0.1728 -0.0732 213 TYR A CZ 1256 O OH . TYR A 186 ? 0.7985 0.8181 1.1406 -0.0289 0.1833 -0.0371 213 TYR A OH 1257 N N . TYR A 187 ? 0.9356 1.4513 1.5576 0.1807 0.1457 -0.2089 214 TYR A N 1258 C CA . TYR A 187 ? 1.0453 1.5405 1.6306 0.1883 0.1835 -0.2080 214 TYR A CA 1259 C C . TYR A 187 ? 1.0262 1.3566 1.5085 0.1701 0.1846 -0.1652 214 TYR A C 1260 O O . TYR A 187 ? 1.1034 1.3322 1.5368 0.1906 0.1473 -0.1435 214 TYR A O 1261 C CB . TYR A 187 ? 1.0731 1.6083 1.6646 0.2761 0.1704 -0.2377 214 TYR A CB 1262 C CG . TYR A 187 ? 1.2975 2.0120 1.9938 0.3077 0.1665 -0.2841 214 TYR A CG 1263 C CD1 . TYR A 187 ? 1.3895 2.2409 2.1499 0.2923 0.2124 -0.3153 214 TYR A CD1 1264 C CD2 . TYR A 187 ? 1.2546 2.0090 1.9850 0.3549 0.1169 -0.2978 214 TYR A CD2 1265 C CE1 . TYR A 187 ? 1.3764 2.4105 2.2418 0.3213 0.2087 -0.3617 214 TYR A CE1 1266 C CE2 . TYR A 187 ? 1.2731 2.2058 2.1028 0.3885 0.1088 -0.3435 214 TYR A CE2 1267 C CZ . TYR A 187 ? 1.3213 2.3988 2.2230 0.3708 0.1547 -0.3767 214 TYR A CZ 1268 O OH . TYR A 187 ? 1.3953 2.6160 2.3656 0.3880 0.1421 -0.4067 214 TYR A OH 1269 N N . SER A 188 ? 0.7180 1.0285 1.1670 0.1319 0.2279 -0.1537 215 SER A N 1270 C CA . SER A 188 ? 0.7303 0.9043 1.0852 0.1150 0.2301 -0.1172 215 SER A CA 1271 C C . SER A 188 ? 0.8658 1.0369 1.1799 0.1279 0.2640 -0.1254 215 SER A C 1272 O O . SER A 188 ? 0.8007 1.0665 1.1520 0.1105 0.3056 -0.1438 215 SER A O 1273 C CB . SER A 188 ? 0.7153 0.8468 1.0529 0.0442 0.2454 -0.0850 215 SER A CB 1274 O OG . SER A 188 ? 0.7762 0.7842 1.0264 0.0370 0.2390 -0.0507 215 SER A OG 1275 N N . THR A 189 ? 0.8078 0.8726 1.0444 0.1559 0.2473 -0.1139 216 THR A N 1276 C CA . THR A 189 ? 0.8680 0.9161 1.0536 0.1740 0.2723 -0.1253 216 THR A CA 1277 C C . THR A 189 ? 0.9884 0.9242 1.0864 0.1459 0.2700 -0.0929 216 THR A C 1278 O O . THR A 189 ? 0.9478 0.7966 1.0134 0.1483 0.2346 -0.0737 216 THR A O 1279 C CB . THR A 189 ? 0.9236 0.9586 1.1002 0.2469 0.2510 -0.1559 216 THR A CB 1280 O OG1 . THR A 189 ? 0.9657 1.1192 1.2258 0.2816 0.2514 -0.1878 216 THR A OG1 1281 C CG2 . THR A 189 ? 1.0713 1.0812 1.1879 0.2650 0.2763 -0.1718 216 THR A CG2 1282 N N . THR A 190 ? 0.9326 0.8761 0.9914 0.1209 0.3080 -0.0873 217 THR A N 1283 C CA . THR A 190 ? 1.0197 0.8729 0.9934 0.0991 0.3063 -0.0594 217 THR A CA 1284 C C . THR A 190 ? 0.9790 0.7863 0.8915 0.1368 0.2992 -0.0808 217 THR A C 1285 O O . THR A 190 ? 1.0821 0.9403 0.9967 0.1625 0.3247 -0.1108 217 THR A O 1286 C CB . THR A 190 ? 1.1369 1.0123 1.0872 0.0523 0.3503 -0.0373 217 THR A CB 1287 O OG1 . THR A 190 ? 1.0544 0.9425 1.0472 0.0113 0.3530 -0.0151 217 THR A OG1 1288 C CG2 . THR A 190 ? 1.2085 1.0009 1.0625 0.0432 0.3472 -0.0128 217 THR A CG2 1289 N N . ILE A 191 ? 1.1166 0.8311 0.9757 0.1382 0.2660 -0.0681 218 ILE A N 1290 C CA . ILE A 191 ? 1.0865 0.7423 0.8816 0.1641 0.2545 -0.0894 218 ILE A CA 1291 C C . ILE A 191 ? 1.1673 0.7782 0.8913 0.1336 0.2539 -0.0667 218 ILE A C 1292 O O . ILE A 191 ? 1.0750 0.6457 0.7916 0.1096 0.2310 -0.0376 218 ILE A O 1293 C CB . ILE A 191 ? 1.1815 0.7673 0.9770 0.1911 0.2141 -0.0995 218 ILE A CB 1294 C CG1 . ILE A 191 ? 1.1386 0.7712 1.0017 0.2275 0.2102 -0.1166 218 ILE A CG1 1295 C CG2 . ILE A 191 ? 1.1029 0.6219 0.8314 0.2132 0.2057 -0.1274 218 ILE A CG2 1296 C CD1 . ILE A 191 ? 1.0326 0.5868 0.8865 0.2589 0.1734 -0.1222 218 ILE A CD1 1297 N N . ARG A 192 ? 1.2180 0.8405 0.8878 0.1385 0.2781 -0.0810 219 ARG A N 1298 C CA . ARG A 192 ? 1.2496 0.8467 0.8479 0.1146 0.2812 -0.0592 219 ARG A CA 1299 C C . ARG A 192 ? 1.2151 0.7514 0.7499 0.1257 0.2517 -0.0801 219 ARG A C 1300 O O . ARG A 192 ? 1.2486 0.7669 0.7727 0.1538 0.2476 -0.1189 219 ARG A O 1301 C CB . ARG A 192 ? 1.1777 0.8284 0.7466 0.1086 0.3297 -0.0572 219 ARG A CB 1302 C CG . ARG A 192 ? 1.2741 0.9790 0.8991 0.0817 0.3619 -0.0324 219 ARG A CG 1303 C CD . ARG A 192 ? 1.3670 1.1169 0.9558 0.0674 0.4159 -0.0254 219 ARG A CD 1304 N NE . ARG A 192 ? 1.5500 1.3237 1.1733 0.0268 0.4442 0.0074 219 ARG A NE 1305 C CZ . ARG A 192 ? 1.5535 1.3980 1.2637 0.0141 0.4660 -0.0038 219 ARG A CZ 1306 N NH1 . ARG A 192 ? 1.5548 1.4101 1.2889 -0.0305 0.4916 0.0243 219 ARG A NH1 1307 N NH2 . ARG A 192 ? 1.4400 1.3440 1.2113 0.0469 0.4616 -0.0451 219 ARG A NH2 1308 N N . TYR A 193 ? 1.2643 0.7696 0.7569 0.1038 0.2308 -0.0564 220 TYR A N 1309 C CA . TYR A 193 ? 1.2856 0.7448 0.7235 0.1042 0.1997 -0.0763 220 TYR A CA 1310 C C . TYR A 193 ? 1.3437 0.8139 0.7121 0.0923 0.2003 -0.0582 220 TYR A C 1311 O O . TYR A 193 ? 1.5182 1.0070 0.8841 0.0798 0.2135 -0.0187 220 TYR A O 1312 C CB . TYR A 193 ? 1.2849 0.6984 0.7526 0.0905 0.1603 -0.0693 220 TYR A CB 1313 C CG . TYR A 193 ? 1.2038 0.5953 0.7318 0.1037 0.1541 -0.0779 220 TYR A CG 1314 C CD1 . TYR A 193 ? 1.2055 0.6257 0.7957 0.1011 0.1618 -0.0515 220 TYR A CD1 1315 C CD2 . TYR A 193 ? 1.2915 0.6268 0.8075 0.1191 0.1387 -0.1125 220 TYR A CD2 1316 C CE1 . TYR A 193 ? 1.1545 0.5590 0.7938 0.1183 0.1523 -0.0591 220 TYR A CE1 1317 C CE2 . TYR A 193 ? 1.2989 0.6056 0.8584 0.1380 0.1317 -0.1167 220 TYR A CE2 1318 C CZ . TYR A 193 ? 1.3683 0.7150 0.9897 0.1396 0.1371 -0.0895 220 TYR A CZ 1319 O OH . TYR A 193 ? 1.2343 0.5577 0.8937 0.1637 0.1270 -0.0937 220 TYR A OH 1320 N N . GLN A 194 ? 1.4386 0.8920 0.7451 0.0979 0.1843 -0.0886 221 GLN A N 1321 C CA . GLN A 194 ? 1.5582 1.0208 0.7961 0.0907 0.1697 -0.0771 221 GLN A CA 1322 C C . GLN A 194 ? 1.6114 1.0489 0.8515 0.0746 0.1227 -0.0913 221 GLN A C 1323 O O . GLN A 194 ? 1.4912 0.8913 0.7533 0.0706 0.1074 -0.1246 221 GLN A O 1324 C CB . GLN A 194 ? 1.5840 1.0619 0.7418 0.1082 0.1882 -0.1045 221 GLN A CB 1325 C CG . GLN A 194 ? 2.0347 1.5470 1.1784 0.1190 0.2403 -0.0864 221 GLN A CG 1326 C CD . GLN A 194 ? 2.1687 1.6937 1.2735 0.1100 0.2538 -0.0342 221 GLN A CD 1327 O OE1 . GLN A 194 ? 2.2081 1.7221 1.2873 0.1048 0.2213 -0.0142 221 GLN A OE1 1328 N NE2 . GLN A 194 ? 2.1736 1.7211 1.2719 0.1089 0.3035 -0.0124 221 GLN A NE2 1329 N N . ALA A 195 ? 1.5025 0.9601 0.7183 0.0656 0.1015 -0.0658 222 ALA A N 1330 C CA . ALA A 195 ? 1.3932 0.8467 0.6234 0.0460 0.0591 -0.0764 222 ALA A CA 1331 C C . ALA A 195 ? 1.5479 1.0419 0.7139 0.0495 0.0359 -0.0756 222 ALA A C 1332 O O . ALA A 195 ? 1.5623 1.0791 0.6823 0.0679 0.0502 -0.0439 222 ALA A O 1333 C CB . ALA A 195 ? 1.3416 0.7895 0.6410 0.0328 0.0502 -0.0409 222 ALA A CB 1334 N N . THR A 196 ? 1.5271 1.0292 0.6874 0.0312 0.0001 -0.1118 223 THR A N 1335 C CA . THR A 196 ? 1.4670 1.0238 0.5815 0.0328 -0.0323 -0.1162 223 THR A CA 1336 C C . THR A 196 ? 1.5497 1.1281 0.7207 0.0034 -0.0678 -0.1222 223 THR A C 1337 O O . THR A 196 ? 1.5215 1.0596 0.7454 -0.0241 -0.0692 -0.1397 223 THR A O 1338 C CB . THR A 196 ? 1.6033 1.1709 0.6448 0.0363 -0.0431 -0.1673 223 THR A CB 1339 O OG1 . THR A 196 ? 1.7485 1.2713 0.8137 0.0088 -0.0509 -0.2185 223 THR A OG1 1340 C CG2 . THR A 196 ? 1.6735 1.2309 0.6505 0.0678 -0.0051 -0.1593 223 THR A CG2 1341 N N . GLY A 197 ? 1.3945 1.1209 0.9524 -0.2096 -0.0395 -0.2125 224 GLY A N 1342 C CA . GLY A 197 ? 1.3838 1.1569 0.9925 -0.2161 -0.0397 -0.2073 224 GLY A CA 1343 C C . GLY A 197 ? 1.3038 1.0921 0.9225 -0.2043 -0.0202 -0.1827 224 GLY A C 1344 O O . GLY A 197 ? 1.4051 1.2137 1.0656 -0.2112 -0.0042 -0.1703 224 GLY A O 1345 N N . PHE A 198 ? 1.3366 1.1131 0.9177 -0.1850 -0.0206 -0.1757 225 PHE A N 1346 C CA . PHE A 198 ? 1.2587 1.0449 0.8420 -0.1689 -0.0071 -0.1574 225 PHE A CA 1347 C C . PHE A 198 ? 1.3000 1.1313 0.9078 -0.1581 -0.0086 -0.1484 225 PHE A C 1348 O O . PHE A 198 ? 1.4105 1.2653 1.0173 -0.1540 -0.0259 -0.1566 225 PHE A O 1349 C CB . PHE A 198 ? 1.1282 0.8936 0.6730 -0.1530 -0.0132 -0.1577 225 PHE A CB 1350 C CG . PHE A 198 ? 1.1662 0.9394 0.7098 -0.1334 -0.0063 -0.1454 225 PHE A CG 1351 C CD1 . PHE A 198 ? 1.2458 1.0406 0.7817 -0.1131 -0.0162 -0.1418 225 PHE A CD1 1352 C CD2 . PHE A 198 ? 1.1909 0.9490 0.7362 -0.1307 0.0081 -0.1393 225 PHE A CD2 1353 C CE1 . PHE A 198 ? 1.2193 1.0184 0.7481 -0.0901 -0.0137 -0.1340 225 PHE A CE1 1354 C CE2 . PHE A 198 ? 1.2275 0.9939 0.7676 -0.1071 0.0101 -0.1317 225 PHE A CE2 1355 C CZ . PHE A 198 ? 1.1052 0.8909 0.6362 -0.0866 -0.0018 -0.1300 225 PHE A CZ 1356 N N . GLY A 199 ? 1.3019 1.1454 0.9283 -0.1488 0.0113 -0.1300 226 GLY A N 1357 C CA . GLY A 199 ? 1.2955 1.1816 0.9423 -0.1326 0.0155 -0.1167 226 GLY A CA 1358 C C . GLY A 199 ? 1.3906 1.3136 1.0927 -0.1518 0.0198 -0.1164 226 GLY A C 1359 O O . GLY A 199 ? 1.4716 1.4384 1.1936 -0.1388 0.0192 -0.1082 226 GLY A O 1360 N N . THR A 200 ? 1.3633 1.2708 1.0938 -0.1820 0.0235 -0.1264 227 THR A N 1361 C CA . THR A 200 ? 1.3451 1.2879 1.1412 -0.2054 0.0264 -0.1296 227 THR A CA 1362 C C . THR A 200 ? 1.4799 1.4015 1.3144 -0.2255 0.0571 -0.1169 227 THR A C 1363 O O . THR A 200 ? 1.4380 1.3217 1.2423 -0.2147 0.0770 -0.1030 227 THR A O 1364 C CB . THR A 200 ? 1.4118 1.3567 1.2115 -0.2241 -0.0053 -0.1611 227 THR A CB 1365 O OG1 . THR A 200 ? 1.3633 1.2547 1.1408 -0.2404 -0.0066 -0.1746 227 THR A OG1 1366 C CG2 . THR A 200 ? 1.3922 1.3448 1.1412 -0.2001 -0.0317 -0.1714 227 THR A CG2 1367 N N . ASN A 201 ? 1.6368 1.5821 1.5402 -0.2544 0.0607 -0.1226 228 ASN A N 1368 C CA . ASN A 201 ? 1.7931 1.7121 1.7388 -0.2775 0.0917 -0.1112 228 ASN A CA 1369 C C . ASN A 201 ? 1.8063 1.6660 1.7292 -0.2986 0.0821 -0.1331 228 ASN A C 1370 O O . ASN A 201 ? 1.8324 1.6540 1.7720 -0.3124 0.1093 -0.1227 228 ASN A O 1371 C CB . ASN A 201 ? 2.0191 1.9867 2.0594 -0.3043 0.1002 -0.1098 228 ASN A CB 1372 C CG . ASN A 201 ? 2.3452 2.3443 2.4160 -0.3259 0.0576 -0.1479 228 ASN A CG 1373 O OD1 . ASN A 201 ? 2.2645 2.2378 2.2804 -0.3215 0.0254 -0.1742 228 ASN A OD1 1374 N ND2 . ASN A 201 ? 2.8062 2.8632 2.9656 -0.3467 0.0578 -0.1509 228 ASN A ND2 1375 N N . GLU A 202 ? 1.8094 1.6570 1.6903 -0.2975 0.0469 -0.1613 229 GLU A N 1376 C CA . GLU A 202 ? 1.6493 1.4428 1.5047 -0.3131 0.0357 -0.1838 229 GLU A CA 1377 C C . GLU A 202 ? 1.5262 1.2834 1.3018 -0.2891 0.0292 -0.1847 229 GLU A C 1378 O O . GLU A 202 ? 1.6561 1.3925 1.3961 -0.2892 0.0048 -0.2082 229 GLU A O 1379 C CB . GLU A 202 ? 1.6987 1.5085 1.5806 -0.3334 -0.0006 -0.2201 229 GLU A CB 1380 C CG . GLU A 202 ? 1.9140 1.7597 1.8899 -0.3648 0.0025 -0.2259 229 GLU A CG 1381 C CD . GLU A 202 ? 2.1865 1.9810 2.1908 -0.3960 0.0108 -0.2388 229 GLU A CD 1382 O OE1 . GLU A 202 ? 2.2667 2.0843 2.3525 -0.4277 0.0055 -0.2534 229 GLU A OE1 1383 O OE2 . GLU A 202 ? 2.2923 2.0238 2.2401 -0.3887 0.0223 -0.2352 229 GLU A OE2 1384 N N . THR A 203 ? 1.6261 1.3764 1.3746 -0.2666 0.0510 -0.1598 230 THR A N 1385 C CA . THR A 203 ? 1.5510 1.2740 1.2378 -0.2463 0.0461 -0.1603 230 THR A CA 1386 C C . THR A 203 ? 1.5157 1.1851 1.1798 -0.2518 0.0596 -0.1622 230 THR A C 1387 O O . THR A 203 ? 1.6521 1.3024 1.3364 -0.2587 0.0843 -0.1498 230 THR A O 1388 C CB . THR A 203 ? 1.5600 1.3011 1.2306 -0.2184 0.0579 -0.1383 230 THR A CB 1389 O OG1 . THR A 203 ? 1.6135 1.4024 1.3067 -0.2110 0.0500 -0.1335 230 THR A OG1 1390 C CG2 . THR A 203 ? 1.4956 1.2193 1.1166 -0.2016 0.0464 -0.1437 230 THR A CG2 1391 N N . GLU A 204 ? 1.4278 1.0710 1.0476 -0.2460 0.0461 -0.1758 231 GLU A N 1392 C CA . GLU A 204 ? 1.4094 1.0039 1.0000 -0.2451 0.0582 -0.1774 231 GLU A CA 1393 C C . GLU A 204 ? 1.4267 1.0164 0.9781 -0.2224 0.0616 -0.1693 231 GLU A C 1394 O O . GLU A 204 ? 1.3812 0.9876 0.9170 -0.2141 0.0463 -0.1738 231 GLU A O 1395 C CB . GLU A 204 ? 1.4579 1.0216 1.0346 -0.2590 0.0405 -0.2031 231 GLU A CB 1396 C CG . GLU A 204 ? 1.6897 1.2514 1.3138 -0.2858 0.0365 -0.2157 231 GLU A CG 1397 C CD . GLU A 204 ? 2.0871 1.6156 1.6936 -0.2959 0.0129 -0.2470 231 GLU A CD 1398 O OE1 . GLU A 204 ? 2.1793 1.6908 1.7320 -0.2783 0.0001 -0.2568 231 GLU A OE1 1399 O OE2 . GLU A 204 ? 2.2130 1.7307 1.8599 -0.3203 0.0077 -0.2622 231 GLU A OE2 1400 N N . TYR A 205 ? 1.4317 0.9987 0.9704 -0.2121 0.0824 -0.1576 232 TYR A N 1401 C CA . TYR A 205 ? 1.3424 0.9132 0.8583 -0.1913 0.0866 -0.1503 232 TYR A CA 1402 C C . TYR A 205 ? 1.3613 0.8941 0.8481 -0.1868 0.0967 -0.1534 232 TYR A C 1403 O O . TYR A 205 ? 1.4492 0.9477 0.9306 -0.1933 0.1078 -0.1552 232 TYR A O 1404 C CB . TYR A 205 ? 1.3348 0.9257 0.8618 -0.1728 0.1005 -0.1328 232 TYR A CB 1405 C CG . TYR A 205 ? 1.4205 1.0505 0.9670 -0.1679 0.0910 -0.1278 232 TYR A CG 1406 C CD1 . TYR A 205 ? 1.4673 1.1092 1.0392 -0.1710 0.1021 -0.1169 232 TYR A CD1 1407 C CD2 . TYR A 205 ? 1.3211 0.9737 0.8610 -0.1589 0.0732 -0.1327 232 TYR A CD2 1408 C CE1 . TYR A 205 ? 1.3996 1.0786 0.9858 -0.1617 0.0953 -0.1105 232 TYR A CE1 1409 C CE2 . TYR A 205 ? 1.4355 1.1194 0.9862 -0.1504 0.0639 -0.1288 232 TYR A CE2 1410 C CZ . TYR A 205 ? 1.4656 1.1644 1.0375 -0.1500 0.0747 -0.1175 232 TYR A CZ 1411 O OH . TYR A 205 ? 1.6074 1.3387 1.1871 -0.1372 0.0672 -0.1119 232 TYR A OH 1412 N N . LEU A 206 ? 1.2475 0.7856 0.7177 -0.1749 0.0944 -0.1534 233 LEU A N 1413 C CA . LEU A 206 ? 1.3724 0.8833 0.8170 -0.1653 0.1066 -0.1532 233 LEU A CA 1414 C C . LEU A 206 ? 1.3064 0.8436 0.7601 -0.1479 0.1132 -0.1440 233 LEU A C 1415 O O . LEU A 206 ? 1.3691 0.9340 0.8374 -0.1475 0.1023 -0.1446 233 LEU A O 1416 C CB . LEU A 206 ? 1.2936 0.7826 0.7102 -0.1688 0.0982 -0.1645 233 LEU A CB 1417 C CG . LEU A 206 ? 1.4963 0.9573 0.8991 -0.1822 0.0854 -0.1810 233 LEU A CG 1418 C CD1 . LEU A 206 ? 1.4077 0.8517 0.7740 -0.1748 0.0759 -0.1910 233 LEU A CD1 1419 C CD2 . LEU A 206 ? 1.4711 0.8918 0.8637 -0.1848 0.0972 -0.1839 233 LEU A CD2 1420 N N . PHE A 207 ? 1.3763 0.9041 0.8227 -0.1329 0.1296 -0.1372 234 PHE A N 1421 C CA . PHE A 207 ? 1.2608 0.8173 0.7204 -0.1151 0.1337 -0.1325 234 PHE A CA 1422 C C . PHE A 207 ? 1.3845 0.9330 0.8344 -0.1140 0.1403 -0.1335 234 PHE A C 1423 O O . PHE A 207 ? 1.3925 0.9041 0.8110 -0.1131 0.1503 -0.1344 234 PHE A O 1424 C CB . PHE A 207 ? 1.3846 0.9388 0.8384 -0.0934 0.1483 -0.1246 234 PHE A CB 1425 C CG . PHE A 207 ? 1.3502 0.9334 0.8164 -0.0724 0.1523 -0.1233 234 PHE A CG 1426 C CD1 . PHE A 207 ? 1.3649 0.9307 0.8109 -0.0558 0.1701 -0.1187 234 PHE A CD1 1427 C CD2 . PHE A 207 ? 1.2589 0.8877 0.7600 -0.0688 0.1369 -0.1283 234 PHE A CD2 1428 C CE1 . PHE A 207 ? 1.3705 0.9717 0.8354 -0.0355 0.1731 -0.1183 234 PHE A CE1 1429 C CE2 . PHE A 207 ? 1.2652 0.9273 0.7897 -0.0519 0.1378 -0.1305 234 PHE A CE2 1430 C CZ . PHE A 207 ? 1.3717 1.0240 0.8805 -0.0351 0.1562 -0.1251 234 PHE A CZ 1431 N N . GLU A 208 ? 1.3395 0.9204 0.8168 -0.1129 0.1358 -0.1331 235 GLU A N 1432 C CA . GLU A 208 ? 1.3974 0.9735 0.8727 -0.1137 0.1458 -0.1301 235 GLU A CA 1433 C C . GLU A 208 ? 1.3246 0.9209 0.8172 -0.0967 0.1618 -0.1240 235 GLU A C 1434 O O . GLU A 208 ? 1.3030 0.9411 0.8367 -0.0909 0.1556 -0.1259 235 GLU A O 1435 C CB . GLU A 208 ? 1.3493 0.9439 0.8494 -0.1257 0.1353 -0.1316 235 GLU A CB 1436 C CG . GLU A 208 ? 1.4745 1.0626 0.9765 -0.1256 0.1517 -0.1238 235 GLU A CG 1437 C CD . GLU A 208 ? 1.5204 1.1137 1.0398 -0.1376 0.1444 -0.1236 235 GLU A CD 1438 O OE1 . GLU A 208 ? 1.6680 1.2373 1.1553 -0.1424 0.1353 -0.1267 235 GLU A OE1 1439 O OE2 . GLU A 208 ? 1.4680 1.0890 1.0350 -0.1416 0.1471 -0.1216 235 GLU A OE2 1440 N N . VAL A 209 ? 1.2934 0.8617 0.7543 -0.0862 0.1803 -0.1185 236 VAL A N 1441 C CA . VAL A 209 ? 1.2883 0.8777 0.7645 -0.0676 0.1988 -0.1108 236 VAL A CA 1442 C C . VAL A 209 ? 1.4205 1.0286 0.9253 -0.0722 0.2110 -0.1030 236 VAL A C 1443 O O . VAL A 209 ? 1.3963 1.0518 0.9568 -0.0706 0.2140 -0.1011 236 VAL A O 1444 C CB . VAL A 209 ? 1.4165 0.9633 0.8401 -0.0495 0.2153 -0.1071 236 VAL A CB 1445 C CG1 . VAL A 209 ? 1.4464 1.0187 0.8842 -0.0264 0.2361 -0.0976 236 VAL A CG1 1446 C CG2 . VAL A 209 ? 1.3599 0.8852 0.7622 -0.0459 0.2086 -0.1119 236 VAL A CG2 1447 N N . ASP A 210 ? 1.4661 1.0370 0.9346 -0.0761 0.2192 -0.0985 237 ASP A N 1448 C CA . ASP A 210 ? 1.3744 0.9542 0.8660 -0.0826 0.2318 -0.0885 237 ASP A CA 1449 C C . ASP A 210 ? 1.4211 0.9610 0.8695 -0.0914 0.2216 -0.0924 237 ASP A C 1450 O O . ASP A 210 ? 1.4589 0.9769 0.8757 -0.0963 0.2016 -0.1049 237 ASP A O 1451 C CB . ASP A 210 ? 1.3515 0.9322 0.8406 -0.0634 0.2649 -0.0719 237 ASP A CB 1452 C CG . ASP A 210 ? 1.6226 1.1483 1.0322 -0.0424 0.2759 -0.0697 237 ASP A CG 1453 O OD1 . ASP A 210 ? 1.5506 1.0339 0.9099 -0.0466 0.2598 -0.0802 237 ASP A OD1 1454 O OD2 . ASP A 210 ? 1.4345 0.9603 0.8325 -0.0198 0.2993 -0.0591 237 ASP A OD2 1455 N N . ASN A 211 ? 1.4197 0.9507 0.8681 -0.0917 0.2369 -0.0809 238 ASN A N 1456 C CA . ASN A 211 ? 1.5544 1.0509 0.9603 -0.0946 0.2266 -0.0845 238 ASN A CA 1457 C C . ASN A 211 ? 1.5674 1.0162 0.8974 -0.0781 0.2222 -0.0922 238 ASN A C 1458 O O . ASN A 211 ? 1.6410 1.0651 0.9338 -0.0782 0.2064 -0.1010 238 ASN A O 1459 C CB . ASN A 211 ? 1.7550 1.2458 1.1718 -0.0929 0.2501 -0.0669 238 ASN A CB 1460 C CG . ASN A 211 ? 2.0216 1.5512 1.5145 -0.1147 0.2466 -0.0654 238 ASN A CG 1461 O OD1 . ASN A 211 ? 2.0240 1.5955 1.5732 -0.1229 0.2409 -0.0707 238 ASN A OD1 1462 N ND2 . ASN A 211 ? 2.3751 1.8879 1.8665 -0.1215 0.2483 -0.0602 238 ASN A ND2 1463 N N . LEU A 212 ? 1.4769 0.9119 0.7827 -0.0623 0.2332 -0.0916 239 LEU A N 1464 C CA . LEU A 212 ? 1.5785 0.9631 0.8124 -0.0460 0.2262 -0.1030 239 LEU A CA 1465 C C . LEU A 212 ? 1.5917 0.9661 0.8182 -0.0472 0.2165 -0.1152 239 LEU A C 1466 O O . LEU A 212 ? 1.7325 1.0609 0.9034 -0.0353 0.2095 -0.1276 239 LEU A O 1467 C CB . LEU A 212 ? 1.6874 1.0421 0.8729 -0.0147 0.2551 -0.0882 239 LEU A CB 1468 C CG . LEU A 212 ? 1.7982 1.1450 0.9711 -0.0052 0.2713 -0.0729 239 LEU A CG 1469 C CD1 . LEU A 212 ? 1.6523 0.9694 0.7750 0.0318 0.3062 -0.0541 239 LEU A CD1 1470 C CD2 . LEU A 212 ? 1.9123 1.2339 1.0451 -0.0078 0.2423 -0.0905 239 LEU A CD2 1471 N N . THR A 213 ? 1.5646 0.9761 0.8422 -0.0587 0.2156 -0.1130 240 THR A N 1472 C CA . THR A 213 ? 1.5995 0.9976 0.8683 -0.0562 0.2122 -0.1202 240 THR A CA 1473 C C . THR A 213 ? 1.5453 0.9708 0.8555 -0.0773 0.1933 -0.1270 240 THR A C 1474 O O . THR A 213 ? 1.4512 0.9232 0.8108 -0.0834 0.1922 -0.1210 240 THR A O 1475 C CB . THR A 213 ? 1.5273 0.9410 0.8049 -0.0350 0.2370 -0.1067 240 THR A CB 1476 O OG1 . THR A 213 ? 1.6358 1.0336 0.8827 -0.0134 0.2593 -0.0954 240 THR A OG1 1477 C CG2 . THR A 213 ? 1.4997 0.8811 0.7473 -0.0253 0.2373 -0.1132 240 THR A CG2 1478 N N . TYR A 214 ? 1.5807 0.9768 0.8724 -0.0872 0.1790 -0.1398 241 TYR A N 1479 C CA . TYR A 214 ? 1.4901 0.9084 0.8165 -0.1053 0.1641 -0.1438 241 TYR A CA 1480 C C . TYR A 214 ? 1.6536 1.0423 0.9688 -0.1052 0.1681 -0.1467 241 TYR A C 1481 O O . TYR A 214 ? 1.7286 1.0702 1.0046 -0.0971 0.1749 -0.1519 241 TYR A O 1482 C CB . TYR A 214 ? 1.4871 0.9063 0.8158 -0.1235 0.1421 -0.1549 241 TYR A CB 1483 C CG . TYR A 214 ? 1.5989 1.0451 0.9409 -0.1238 0.1394 -0.1497 241 TYR A CG 1484 C CD1 . TYR A 214 ? 1.6920 1.1190 1.0023 -0.1111 0.1489 -0.1463 241 TYR A CD1 1485 C CD2 . TYR A 214 ? 1.3932 0.8788 0.7755 -0.1341 0.1293 -0.1471 241 TYR A CD2 1486 C CE1 . TYR A 214 ? 1.6471 1.0915 0.9695 -0.1113 0.1517 -0.1384 241 TYR A CE1 1487 C CE2 . TYR A 214 ? 1.5958 1.0979 0.9897 -0.1353 0.1279 -0.1426 241 TYR A CE2 1488 C CZ . TYR A 214 ? 1.6647 1.1450 1.0303 -0.1252 0.1407 -0.1373 241 TYR A CZ 1489 O OH . TYR A 214 ? 1.9172 1.4066 1.2938 -0.1261 0.1446 -0.1298 241 TYR A OH 1490 N N . VAL A 215 ? 1.6178 1.0304 0.9649 -0.1118 0.1654 -0.1425 242 VAL A N 1491 C CA . VAL A 215 ? 1.4745 0.8591 0.8163 -0.1118 0.1742 -0.1406 242 VAL A CA 1492 C C . VAL A 215 ? 1.5279 0.9231 0.8984 -0.1340 0.1616 -0.1442 242 VAL A C 1493 O O . VAL A 215 ? 1.4246 0.8641 0.8243 -0.1365 0.1524 -0.1403 242 VAL A O 1494 C CB . VAL A 215 ? 1.5589 0.9620 0.9067 -0.0876 0.1911 -0.1265 242 VAL A CB 1495 C CG1 . VAL A 215 ? 1.4766 0.8440 0.8143 -0.0849 0.2050 -0.1205 242 VAL A CG1 1496 C CG2 . VAL A 215 ? 1.4600 0.8600 0.7857 -0.0643 0.2046 -0.1225 242 VAL A CG2 1497 N N . GLN A 216 ? 1.4717 0.8264 0.8366 -0.1497 0.1611 -0.1523 243 GLN A N 1498 C CA . GLN A 216 ? 1.5392 0.9073 0.9401 -0.1718 0.1526 -0.1545 243 GLN A CA 1499 C C . GLN A 216 ? 1.4417 0.8300 0.8636 -0.1609 0.1702 -0.1346 243 GLN A C 1500 O O . GLN A 216 ? 1.6051 0.9646 1.0108 -0.1458 0.1924 -0.1235 243 GLN A O 1501 C CB . GLN A 216 ? 1.6478 0.9680 1.0477 -0.1933 0.1487 -0.1697 243 GLN A CB 1502 C CG . GLN A 216 ? 1.8890 1.2326 1.3320 -0.2205 0.1307 -0.1800 243 GLN A CG 1503 C CD . GLN A 216 ? 2.1593 1.4624 1.6024 -0.2421 0.1147 -0.2057 243 GLN A CD 1504 O OE1 . GLN A 216 ? 2.1380 1.3875 1.5436 -0.2360 0.1181 -0.2153 243 GLN A OE1 1505 N NE2 . GLN A 216 ? 2.2972 1.6269 1.7827 -0.2656 0.0950 -0.2189 243 GLN A NE2 1506 N N . LEU A 217 ? 1.4276 0.8627 0.8794 -0.1638 0.1607 -0.1298 244 LEU A N 1507 C CA . LEU A 217 ? 1.4341 0.8945 0.8963 -0.1432 0.1739 -0.1117 244 LEU A CA 1508 C C . LEU A 217 ? 1.4866 0.9291 0.9670 -0.1502 0.1936 -0.0989 244 LEU A C 1509 O O . LEU A 217 ? 1.6782 1.1146 1.1857 -0.1782 0.1884 -0.1058 244 LEU A O 1510 C CB . LEU A 217 ? 1.3668 0.8807 0.8474 -0.1387 0.1550 -0.1127 244 LEU A CB 1511 C CG . LEU A 217 ? 1.3965 0.9393 0.8805 -0.1100 0.1620 -0.0986 244 LEU A CG 1512 C CD1 . LEU A 217 ? 1.3855 0.9257 0.8477 -0.0818 0.1703 -0.0958 244 LEU A CD1 1513 C CD2 . LEU A 217 ? 1.2689 0.8565 0.7694 -0.1080 0.1400 -0.1033 244 LEU A CD2 1514 N N . GLU A 218 ? 1.4819 0.9173 0.9494 -0.1227 0.2172 -0.0799 245 GLU A N 1515 C CA . GLU A 218 ? 1.5345 0.9524 1.0162 -0.1212 0.2444 -0.0603 245 GLU A CA 1516 C C . GLU A 218 ? 1.4670 0.9235 0.9457 -0.0866 0.2508 -0.0429 245 GLU A C 1517 O O . GLU A 218 ? 1.5228 1.0053 0.9803 -0.0583 0.2387 -0.0465 245 GLU A O 1518 C CB . GLU A 218 ? 1.4725 0.8273 0.9275 -0.1127 0.2740 -0.0507 245 GLU A CB 1519 C CG . GLU A 218 ? 1.8883 1.1962 1.3372 -0.1412 0.2664 -0.0703 245 GLU A CG 1520 C CD . GLU A 218 ? 2.0438 1.3227 1.5327 -0.1792 0.2729 -0.0740 245 GLU A CD 1521 O OE1 . GLU A 218 ? 2.1559 1.3953 1.6511 -0.1778 0.3059 -0.0552 245 GLU A OE1 1522 O OE2 . GLU A 218 ? 2.0983 1.3944 1.6147 -0.2094 0.2454 -0.0957 245 GLU A OE2 1523 N N . SER A 219 ? 1.4809 0.9420 0.9830 -0.0876 0.2697 -0.0247 246 SER A N 1524 C CA . SER A 219 ? 1.5422 1.0363 1.0342 -0.0489 0.2768 -0.0073 246 SER A CA 1525 C C . SER A 219 ? 1.6139 1.0868 1.0595 -0.0018 0.2972 0.0066 246 SER A C 1526 O O . SER A 219 ? 1.5264 1.0308 0.9504 0.0389 0.2895 0.0100 246 SER A O 1527 C CB . SER A 219 ? 1.6006 1.1007 1.1265 -0.0568 0.3001 0.0138 246 SER A CB 1528 O OG . SER A 219 ? 1.7673 1.3026 1.3355 -0.0909 0.2763 -0.0001 246 SER A OG 1529 N N . ARG A 220 ? 1.5577 0.9766 0.9846 -0.0035 0.3211 0.0125 247 ARG A N 1530 C CA . ARG A 220 ? 1.5255 0.9193 0.9039 0.0452 0.3444 0.0279 247 ARG A CA 1531 C C . ARG A 220 ? 1.5174 0.9342 0.8689 0.0687 0.3189 0.0089 247 ARG A C 1532 O O . ARG A 220 ? 1.7362 1.1478 1.0481 0.1164 0.3306 0.0176 247 ARG A O 1533 C CB . ARG A 220 ? 1.7414 1.0618 1.1078 0.0355 0.3822 0.0427 247 ARG A CB 1534 C CG . ARG A 220 ? 1.6911 0.9793 1.0655 -0.0051 0.3686 0.0203 247 ARG A CG 1535 C CD . ARG A 220 ? 1.8639 1.0759 1.2393 -0.0246 0.4035 0.0324 247 ARG A CD 1536 N NE . ARG A 220 ? 1.9860 1.1619 1.3604 -0.0577 0.3875 0.0079 247 ARG A NE 1537 C CZ . ARG A 220 ? 2.1419 1.2693 1.4693 -0.0398 0.3967 0.0049 247 ARG A CZ 1538 N NH1 . ARG A 220 ? 2.2775 1.3718 1.6007 -0.0671 0.3805 -0.0182 247 ARG A NH1 1539 N NH2 . ARG A 220 ? 2.1512 1.2628 1.4313 0.0100 0.4215 0.0247 247 ARG A NH2 1540 N N . PHE A 221 ? 1.5465 0.9902 0.9198 0.0392 0.2861 -0.0158 248 PHE A N 1541 C CA . PHE A 221 ? 1.4394 0.9086 0.7996 0.0570 0.2654 -0.0321 248 PHE A CA 1542 C C . PHE A 221 ? 1.5719 1.0971 0.9331 0.0921 0.2444 -0.0372 248 PHE A C 1543 O O . PHE A 221 ? 1.5106 1.0691 0.8963 0.0801 0.2247 -0.0433 248 PHE A O 1544 C CB . PHE A 221 ? 1.5006 0.9783 0.8841 0.0165 0.2420 -0.0530 248 PHE A CB 1545 C CG . PHE A 221 ? 1.6100 1.0317 0.9847 -0.0115 0.2558 -0.0547 248 PHE A CG 1546 C CD1 . PHE A 221 ? 1.5863 0.9517 0.9343 -0.0002 0.2872 -0.0398 248 PHE A CD1 1547 C CD2 . PHE A 221 ? 1.5079 0.9287 0.8966 -0.0457 0.2369 -0.0722 248 PHE A CD2 1548 C CE1 . PHE A 221 ? 1.6281 0.9368 0.9673 -0.0258 0.2963 -0.0454 248 PHE A CE1 1549 C CE2 . PHE A 221 ? 1.5939 0.9615 0.9695 -0.0670 0.2448 -0.0781 248 PHE A CE2 1550 C CZ . PHE A 221 ? 1.6553 0.9664 1.0077 -0.0585 0.2728 -0.0663 248 PHE A CZ 1551 N N . THR A 222 ? 1.5811 1.1163 0.9143 0.1380 0.2465 -0.0367 249 THR A N 1552 C CA . THR A 222 ? 1.4739 1.0631 0.8082 0.1750 0.2204 -0.0485 249 THR A CA 1553 C C . THR A 222 ? 1.6141 1.2468 0.9834 0.1573 0.1875 -0.0746 249 THR A C 1554 O O . THR A 222 ? 1.5136 1.1322 0.8944 0.1277 0.1910 -0.0792 249 THR A O 1555 C CB . THR A 222 ? 1.4948 1.0779 0.7835 0.2368 0.2355 -0.0386 249 THR A CB 1556 O OG1 . THR A 222 ? 1.5978 1.1624 0.8723 0.2419 0.2465 -0.0404 249 THR A OG1 1557 C CG2 . THR A 222 ? 1.5136 1.0509 0.7671 0.2581 0.2735 -0.0083 249 THR A CG2 1558 N N . PRO A 223 ? 1.6468 0.9237 1.0052 0.2253 0.0789 0.1079 250 PRO A N 1559 C CA . PRO A 223 ? 1.3978 0.7696 0.7736 0.2016 0.0585 0.0994 250 PRO A CA 1560 C C . PRO A 223 ? 1.4507 0.9020 0.8787 0.2337 0.0548 0.1035 250 PRO A C 1561 O O . PRO A 223 ? 1.3349 0.8400 0.7968 0.2247 0.0609 0.0829 250 PRO A O 1562 C CB . PRO A 223 ? 1.5695 0.9510 0.8953 0.1727 0.0321 0.1182 250 PRO A CB 1563 C CG . PRO A 223 ? 1.5585 0.8359 0.8372 0.1647 0.0476 0.1241 250 PRO A CG 1564 C CD . PRO A 223 ? 1.5534 0.7753 0.8518 0.2085 0.0706 0.1275 250 PRO A CD 1565 N N . GLN A 224 ? 1.3869 0.8454 0.8231 0.2713 0.0465 0.1316 251 GLN A N 1566 C CA . GLN A 224 ? 1.5227 1.0620 1.0217 0.3046 0.0436 0.1412 251 GLN A CA 1567 C C . GLN A 224 ? 1.5065 1.0256 1.0516 0.3330 0.0837 0.1200 251 GLN A C 1568 O O . GLN A 224 ? 1.6139 1.1992 1.2149 0.3477 0.0932 0.1141 251 GLN A O 1569 C CB . GLN A 224 ? 1.4202 0.9712 0.9193 0.3392 0.0212 0.1822 251 GLN A CB 1570 C CG . GLN A 224 ? 1.8105 1.3733 1.2514 0.3090 -0.0200 0.2040 251 GLN A CG 1571 C CD . GLN A 224 ? 2.0179 1.4695 1.3790 0.2970 -0.0126 0.2091 251 GLN A CD 1572 O OE1 . GLN A 224 ? 1.8915 1.2656 1.2451 0.2984 0.0215 0.1894 251 GLN A OE1 1573 N NE2 . GLN A 224 ? 2.1567 1.5976 1.4576 0.2836 -0.0435 0.2354 251 GLN A NE2 1574 N N . PHE A 225 ? 1.3939 0.8196 0.9173 0.3396 0.1105 0.1076 252 PHE A N 1575 C CA . PHE A 225 ? 1.4512 0.8501 1.0077 0.3563 0.1494 0.0812 252 PHE A CA 1576 C C . PHE A 225 ? 1.3842 0.8145 0.9431 0.3182 0.1538 0.0470 252 PHE A C 1577 O O . PHE A 225 ? 1.4166 0.8722 1.0101 0.3289 0.1782 0.0287 252 PHE A O 1578 C CB . PHE A 225 ? 1.4475 0.7397 0.9799 0.3645 0.1744 0.0735 252 PHE A CB 1579 C CG . PHE A 225 ? 1.6187 0.8744 1.1739 0.3705 0.2128 0.0409 252 PHE A CG 1580 C CD1 . PHE A 225 ? 1.5656 0.7871 1.1004 0.3306 0.2174 0.0087 252 PHE A CD1 1581 C CD2 . PHE A 225 ? 1.6729 0.9273 1.2693 0.4144 0.2443 0.0434 252 PHE A CD2 1582 C CE1 . PHE A 225 ? 1.5865 0.7782 1.1355 0.3276 0.2473 -0.0221 252 PHE A CE1 1583 C CE2 . PHE A 225 ? 1.7916 1.0169 1.4050 0.4088 0.2793 0.0109 252 PHE A CE2 1584 C CZ . PHE A 225 ? 1.7485 0.9523 1.3384 0.3591 0.2757 -0.0219 252 PHE A CZ 1585 N N . LEU A 226 ? 1.3802 0.8045 0.8997 0.2733 0.1334 0.0390 253 LEU A N 1586 C CA . LEU A 226 ? 1.4143 0.8675 0.9295 0.2359 0.1338 0.0111 253 LEU A CA 1587 C C . LEU A 226 ? 1.4281 0.9782 0.9742 0.2350 0.1260 0.0132 253 LEU A C 1588 O O . LEU A 226 ? 1.4328 1.0068 0.9920 0.2251 0.1435 -0.0109 253 LEU A O 1589 C CB . LEU A 226 ? 1.4770 0.9036 0.9497 0.1916 0.1140 0.0090 253 LEU A CB 1590 C CG . LEU A 226 ? 1.3385 0.6724 0.7914 0.1844 0.1241 0.0034 253 LEU A CG 1591 C CD1 . LEU A 226 ? 1.4068 0.7229 0.8292 0.1443 0.1062 0.0088 253 LEU A CD1 1592 C CD2 . LEU A 226 ? 1.4164 0.7182 0.8797 0.1800 0.1452 -0.0269 253 LEU A CD2 1593 N N . LEU A 227 ? 1.3443 0.9487 0.9009 0.2432 0.1001 0.0415 254 LEU A N 1594 C CA . LEU A 227 ? 1.2669 0.9695 0.8630 0.2401 0.0905 0.0450 254 LEU A CA 1595 C C . LEU A 227 ? 1.4240 1.1591 1.0853 0.2825 0.1188 0.0451 254 LEU A C 1596 O O . LEU A 227 ? 1.3620 1.1540 1.0585 0.2766 0.1332 0.0309 254 LEU A O 1597 C CB . LEU A 227 ? 1.2439 0.9959 0.8344 0.2341 0.0512 0.0758 254 LEU A CB 1598 C CG . LEU A 227 ? 1.3154 1.0443 0.8433 0.1870 0.0281 0.0749 254 LEU A CG 1599 C CD1 . LEU A 227 ? 1.2975 1.0804 0.8173 0.1773 -0.0094 0.1021 254 LEU A CD1 1600 C CD2 . LEU A 227 ? 1.4999 1.2447 1.0174 0.1466 0.0369 0.0466 254 LEU A CD2 1601 N N . GLN A 228 ? 1.4286 1.1242 1.1081 0.3261 0.1317 0.0617 255 GLN A N 1602 C CA . GLN A 228 ? 1.3997 1.1196 1.1465 0.3698 0.1648 0.0644 255 GLN A CA 1603 C C . GLN A 228 ? 1.3343 0.9980 1.0731 0.3656 0.2118 0.0254 255 GLN A C 1604 O O . GLN A 228 ? 1.3592 1.0537 1.1444 0.3805 0.2452 0.0136 255 GLN A O 1605 C CB . GLN A 228 ? 1.5782 1.2740 1.3471 0.4194 0.1633 0.0993 255 GLN A CB 1606 C CG . GLN A 228 ? 1.8622 1.6235 1.6442 0.4270 0.1153 0.1412 255 GLN A CG 1607 C CD . GLN A 228 ? 2.0536 1.9297 1.8986 0.4201 0.1007 0.1474 255 GLN A CD 1608 O OE1 . GLN A 228 ? 2.0342 1.9510 1.8550 0.3758 0.0767 0.1363 255 GLN A OE1 1609 N NE2 . GLN A 228 ? 2.0790 2.0069 2.0110 0.4644 0.1183 0.1662 255 GLN A NE2 1610 N N . LEU A 229 ? 1.4571 1.0364 1.1378 0.3437 0.2160 0.0053 256 LEU A N 1611 C CA . LEU A 229 ? 1.4682 0.9958 1.1283 0.3271 0.2513 -0.0342 256 LEU A CA 1612 C C . LEU A 229 ? 1.3862 0.9623 1.0355 0.2893 0.2506 -0.0569 256 LEU A C 1613 O O . LEU A 229 ? 1.4287 0.9962 1.0829 0.2875 0.2874 -0.0833 256 LEU A O 1614 C CB . LEU A 229 ? 1.5204 0.9598 1.1264 0.3045 0.2454 -0.0478 256 LEU A CB 1615 C CG . LEU A 229 ? 1.5245 0.9046 1.0998 0.2797 0.2718 -0.0880 256 LEU A CG 1616 C CD1 . LEU A 229 ? 1.5486 0.8942 1.1514 0.3143 0.3216 -0.1013 256 LEU A CD1 1617 C CD2 . LEU A 229 ? 1.6997 1.0080 1.2352 0.2544 0.2557 -0.0947 256 LEU A CD2 1618 N N . ASN A 230 ? 1.2750 0.8965 0.9048 0.2576 0.2126 -0.0473 257 ASN A N 1619 C CA . ASN A 230 ? 1.3008 0.9726 0.9225 0.2232 0.2122 -0.0646 257 ASN A CA 1620 C C . ASN A 230 ? 1.3150 1.0599 1.0024 0.2479 0.2356 -0.0604 257 ASN A C 1621 O O . ASN A 230 ? 1.3472 1.1042 1.0330 0.2322 0.2635 -0.0851 257 ASN A O 1622 C CB . ASN A 230 ? 1.2362 0.9415 0.8303 0.1882 0.1698 -0.0512 257 ASN A CB 1623 C CG . ASN A 230 ? 1.2936 1.0624 0.8892 0.1576 0.1694 -0.0628 257 ASN A CG 1624 O OD1 . ASN A 230 ? 1.3873 1.1304 0.9431 0.1267 0.1807 -0.0883 257 ASN A OD1 1625 N ND2 . ASN A 230 ? 1.3727 1.2239 1.0130 0.1645 0.1550 -0.0432 257 ASN A ND2 1626 N N . GLU A 231 ? 1.3065 1.0990 1.0535 0.2865 0.2256 -0.0276 258 GLU A N 1627 C CA . GLU A 231 ? 1.4487 1.3192 1.2763 0.3127 0.2459 -0.0179 258 GLU A CA 1628 C C . GLU A 231 ? 1.4314 1.2618 1.2866 0.3408 0.3057 -0.0378 258 GLU A C 1629 O O . GLU A 231 ? 1.5237 1.3879 1.4121 0.3384 0.3405 -0.0536 258 GLU A O 1630 C CB . GLU A 231 ? 1.4800 1.4110 1.3668 0.3476 0.2144 0.0268 258 GLU A CB 1631 C CG . GLU A 231 ? 1.7273 1.7383 1.7175 0.3838 0.2371 0.0429 258 GLU A CG 1632 C CD . GLU A 231 ? 1.9378 2.0284 1.9873 0.4078 0.1921 0.0900 258 GLU A CD 1633 O OE1 . GLU A 231 ? 2.0072 2.0627 2.0287 0.4243 0.1635 0.1151 258 GLU A OE1 1634 O OE2 . GLU A 231 ? 2.0228 2.2103 2.1459 0.4082 0.1849 0.1023 258 GLU A OE2 1635 N N . THR A 232 ? 1.3913 1.1444 1.2318 0.3665 0.3233 -0.0384 259 THR A N 1636 C CA . THR A 232 ? 1.6090 1.3142 1.4711 0.3918 0.3850 -0.0588 259 THR A CA 1637 C C . THR A 232 ? 1.5453 1.2051 1.3463 0.3495 0.4153 -0.1054 259 THR A C 1638 O O . THR A 232 ? 1.6799 1.3310 1.5040 0.3590 0.4694 -0.1250 259 THR A O 1639 C CB . THR A 232 ? 1.6688 1.2912 1.5176 0.4213 0.3976 -0.0533 259 THR A CB 1640 O OG1 . THR A 232 ? 1.9691 1.5187 1.7337 0.3833 0.3778 -0.0750 259 THR A OG1 1641 C CG2 . THR A 232 ? 1.5655 1.2243 1.4619 0.4623 0.3659 -0.0045 259 THR A CG2 1642 N N . ILE A 233 ? 1.6417 1.2695 1.3639 0.3023 0.3827 -0.1221 260 ILE A N 1643 C CA . ILE A 233 ? 1.6123 1.1969 1.2674 0.2587 0.4029 -0.1626 260 ILE A CA 1644 C C . ILE A 233 ? 1.4871 1.1383 1.1634 0.2443 0.4191 -0.1696 260 ILE A C 1645 O O . ILE A 233 ? 1.5434 1.1648 1.1985 0.2328 0.4662 -0.1996 260 ILE A O 1646 C CB . ILE A 233 ? 1.5326 1.0779 1.1113 0.2141 0.3581 -0.1704 260 ILE A CB 1647 C CG1 . ILE A 233 ? 1.4124 0.8782 0.9712 0.2254 0.3552 -0.1714 260 ILE A CG1 1648 C CG2 . ILE A 233 ? 1.5423 1.0603 1.0512 0.1653 0.3669 -0.2046 260 ILE A CG2 1649 C CD1 . ILE A 233 ? 1.5501 0.9839 1.0567 0.1888 0.3100 -0.1706 260 ILE A CD1 1650 N N . TYR A 234 ? 1.4052 1.1432 1.1204 0.2422 0.3829 -0.1433 261 TYR A N 1651 C CA . TYR A 234 ? 1.4273 1.2334 1.1712 0.2278 0.3983 -0.1487 261 TYR A CA 1652 C C . TYR A 234 ? 1.4775 1.3167 1.3098 0.2693 0.4520 -0.1448 261 TYR A C 1653 O O . TYR A 234 ? 1.6471 1.4935 1.4842 0.2572 0.4960 -0.1666 261 TYR A O 1654 C CB . TYR A 234 ? 1.4393 1.3299 1.2080 0.2144 0.3462 -0.1214 261 TYR A CB 1655 C CG . TYR A 234 ? 1.5074 1.3853 1.1970 0.1607 0.3159 -0.1347 261 TYR A CG 1656 C CD1 . TYR A 234 ? 1.4453 1.2825 1.0813 0.1433 0.2736 -0.1267 261 TYR A CD1 1657 C CD2 . TYR A 234 ? 1.3757 1.2801 1.0481 0.1286 0.3330 -0.1531 261 TYR A CD2 1658 C CE1 . TYR A 234 ? 1.4613 1.2873 1.0344 0.0970 0.2486 -0.1348 261 TYR A CE1 1659 C CE2 . TYR A 234 ? 1.3333 1.2247 0.9353 0.0817 0.3066 -0.1615 261 TYR A CE2 1660 C CZ . TYR A 234 ? 1.4788 1.3324 1.0343 0.0670 0.2639 -0.1513 261 TYR A CZ 1661 O OH . TYR A 234 ? 1.5372 1.3776 1.0313 0.0230 0.2402 -0.1560 261 TYR A OH 1662 N N . THR A 235 ? 1.5867 1.4429 1.4906 0.3191 0.4519 -0.1153 262 THR A N 1663 C CA . THR A 235 ? 1.6821 1.5799 1.6889 0.3641 0.5000 -0.1027 262 THR A CA 1664 C C . THR A 235 ? 1.7472 1.5563 1.7413 0.3826 0.5702 -0.1296 262 THR A C 1665 O O . THR A 235 ? 1.8289 1.6586 1.8977 0.4105 0.6270 -0.1296 262 THR A O 1666 C CB . THR A 235 ? 1.5529 1.5143 1.6479 0.4113 0.4660 -0.0529 262 THR A CB 1667 O OG1 . THR A 235 ? 1.6963 1.5857 1.7487 0.4279 0.4498 -0.0448 262 THR A OG1 1668 C CG2 . THR A 235 ? 1.4188 1.4725 1.5304 0.3903 0.4011 -0.0274 262 THR A CG2 1669 N N . SER A 236 ? 1.7415 1.4521 1.6479 0.3670 0.5703 -0.1524 263 SER A N 1670 C CA . SER A 236 ? 1.7701 1.3861 1.6464 0.3734 0.6370 -0.1850 263 SER A CA 1671 C C . SER A 236 ? 1.9000 1.4603 1.6813 0.3200 0.6642 -0.2323 263 SER A C 1672 O O . SER A 236 ? 2.0936 1.5708 1.8370 0.3165 0.7236 -0.2648 263 SER A O 1673 C CB . SER A 236 ? 1.8070 1.3423 1.6431 0.3848 0.6255 -0.1852 263 SER A CB 1674 O OG . SER A 236 ? 1.9091 1.4848 1.8238 0.4356 0.6047 -0.1405 263 SER A OG 1675 N N . GLY A 237 ? 1.8310 1.2882 1.5528 0.0768 0.5009 -0.2833 264 GLY A N 1676 C CA . GLY A 237 ? 1.8858 1.3126 1.5164 0.0548 0.5281 -0.3191 264 GLY A CA 1677 C C . GLY A 237 ? 2.0301 1.3817 1.5758 0.0412 0.5106 -0.3366 264 GLY A C 1678 O O . GLY A 237 ? 2.1184 1.4356 1.6126 0.0366 0.5386 -0.3771 264 GLY A O 1679 N N . LYS A 238 ? 1.9535 1.2881 1.4831 0.0320 0.4654 -0.3087 265 LYS A N 1680 C CA . LYS A 238 ? 1.8504 1.1294 1.3053 0.0171 0.4445 -0.3215 265 LYS A CA 1681 C C . LYS A 238 ? 1.8596 1.1431 1.2284 -0.0092 0.4246 -0.3083 265 LYS A C 1682 O O . LYS A 238 ? 1.8215 1.0807 1.1406 -0.0199 0.3955 -0.3049 265 LYS A O 1683 C CB . LYS A 238 ? 1.7819 1.0395 1.2790 0.0260 0.4098 -0.3014 265 LYS A CB 1684 C CG . LYS A 238 ? 2.0276 1.2330 1.5627 0.0449 0.4287 -0.3280 265 LYS A CG 1685 C CD . LYS A 238 ? 1.9830 1.2118 1.6083 0.0792 0.4635 -0.3315 265 LYS A CD 1686 C CE . LYS A 238 ? 1.9913 1.1538 1.6543 0.1032 0.4880 -0.3617 265 LYS A CE 1687 N NZ . LYS A 238 ? 2.1155 1.2353 1.7097 0.0902 0.5265 -0.4226 265 LYS A NZ 1688 N N . ARG A 239 ? 1.8397 1.1539 1.1920 -0.0195 0.4407 -0.2992 266 ARG A N 1689 C CA . ARG A 239 ? 1.6792 0.9837 0.9461 -0.0404 0.4290 -0.2869 266 ARG A CA 1690 C C . ARG A 239 ? 1.8871 1.1706 1.0764 -0.0510 0.4458 -0.3128 266 ARG A C 1691 O O . ARG A 239 ? 1.9344 1.2228 1.1443 -0.0463 0.4684 -0.3416 266 ARG A O 1692 C CB . ARG A 239 ? 1.6386 0.9739 0.9132 -0.0530 0.4423 -0.2670 266 ARG A CB 1693 C CG . ARG A 239 ? 1.6523 1.0225 0.9962 -0.0513 0.4202 -0.2396 266 ARG A CG 1694 C CD . ARG A 239 ? 1.7077 1.1192 1.0764 -0.0677 0.4445 -0.2311 266 ARG A CD 1695 N NE . ARG A 239 ? 1.6924 1.0749 0.9800 -0.0925 0.4521 -0.2232 266 ARG A NE 1696 C CZ . ARG A 239 ? 1.8465 1.2496 1.1294 -0.1156 0.4805 -0.2197 266 ARG A CZ 1697 N NH1 . ARG A 239 ? 1.8191 1.2856 1.1772 -0.1163 0.5036 -0.2259 266 ARG A NH1 1698 N NH2 . ARG A 239 ? 1.9763 1.3386 1.1808 -0.1380 0.4861 -0.2075 266 ARG A NH2 1699 N N . SER A 240 ? 1.8450 1.1289 0.9713 -0.0639 0.4210 -0.2909 267 SER A N 1700 C CA . SER A 240 ? 1.8790 1.1754 0.9539 -0.0753 0.4206 -0.2980 267 SER A CA 1701 C C . SER A 240 ? 1.7310 1.0471 0.7975 -0.0858 0.4593 -0.3061 267 SER A C 1702 O O . SER A 240 ? 2.0001 1.3179 1.0678 -0.0924 0.4756 -0.2890 267 SER A O 1703 C CB . SER A 240 ? 1.7504 1.0444 0.7644 -0.0801 0.3871 -0.2677 267 SER A CB 1704 O OG . SER A 240 ? 1.9933 1.3066 0.9542 -0.0911 0.3874 -0.2713 267 SER A OG 1705 N N . ASN A 241 ? 1.8769 1.2107 0.9343 -0.0909 0.4757 -0.3345 268 ASN A N 1706 C CA . ASN A 241 ? 2.0021 1.3636 1.0368 -0.1051 0.5088 -0.3414 268 ASN A CA 1707 C C . ASN A 241 ? 1.9980 1.3739 0.9579 -0.1212 0.4951 -0.3370 268 ASN A C 1708 O O . ASN A 241 ? 2.0249 1.4267 0.9723 -0.1295 0.5137 -0.3661 268 ASN A O 1709 C CB . ASN A 241 ? 2.0984 1.4801 1.1908 -0.0957 0.5477 -0.3820 268 ASN A CB 1710 C CG . ASN A 241 ? 2.3655 1.7254 1.4976 -0.0787 0.5395 -0.4120 268 ASN A CG 1711 O OD1 . ASN A 241 ? 2.2556 1.6082 1.3507 -0.0874 0.5189 -0.4233 268 ASN A OD1 1712 N ND2 . ASN A 241 ? 3.0468 2.3970 2.2557 -0.0553 0.5573 -0.4243 268 ASN A ND2 1713 N N . THR A 242 ? 2.3379 1.7006 1.2486 -0.1237 0.4634 -0.3009 269 THR A N 1714 C CA . THR A 242 ? 2.3304 1.7132 1.1724 -0.1337 0.4445 -0.2909 269 THR A CA 1715 C C . THR A 242 ? 2.2398 1.6016 1.0350 -0.1307 0.4219 -0.2419 269 THR A C 1716 O O . THR A 242 ? 2.2491 1.5767 1.0678 -0.1197 0.4127 -0.2229 269 THR A O 1717 C CB . THR A 242 ? 2.4111 1.8055 1.2578 -0.1302 0.4191 -0.3144 269 THR A CB 1718 O OG1 . THR A 242 ? 2.5870 1.9836 1.4780 -0.1311 0.4435 -0.3607 269 THR A OG1 1719 C CG2 . THR A 242 ? 2.4077 1.8399 1.1850 -0.1421 0.4004 -0.3064 269 THR A CG2 1720 N N . THR A 243 ? 2.2477 1.6298 0.9747 -0.1397 0.4148 -0.2213 270 THR A N 1721 C CA . THR A 243 ? 2.2685 1.6284 0.9466 -0.1301 0.3900 -0.1732 270 THR A CA 1722 C C . THR A 243 ? 2.1287 1.4830 0.8267 -0.1089 0.3524 -0.1680 270 THR A C 1723 O O . THR A 243 ? 2.1319 1.4496 0.8198 -0.0931 0.3372 -0.1357 270 THR A O 1724 C CB . THR A 243 ? 2.2393 1.6366 0.8439 -0.1398 0.3849 -0.1522 270 THR A CB 1725 O OG1 . THR A 243 ? 2.3701 1.7711 0.9523 -0.1615 0.4202 -0.1501 270 THR A OG1 1726 C CG2 . THR A 243 ? 2.3944 1.7706 0.9497 -0.1223 0.3569 -0.0992 270 THR A CG2 1727 N N . GLY A 244 ? 2.1513 1.5389 0.8777 -0.1094 0.3391 -0.2013 271 GLY A N 1728 C CA . GLY A 244 ? 2.0157 1.4136 0.7556 -0.0951 0.3028 -0.1969 271 GLY A CA 1729 C C . GLY A 244 ? 2.0700 1.4323 0.8703 -0.0835 0.2982 -0.2019 271 GLY A C 1730 O O . GLY A 244 ? 2.0949 1.4283 0.9331 -0.0857 0.3230 -0.2117 271 GLY A O 1731 N N . LYS A 245 ? 2.0819 1.4577 0.8912 -0.0717 0.2653 -0.1943 272 LYS A N 1732 C CA . LYS A 245 ? 1.9645 1.3167 0.8223 -0.0604 0.2544 -0.1929 272 LYS A CA 1733 C C . LYS A 245 ? 2.0330 1.3937 0.9361 -0.0702 0.2522 -0.2266 272 LYS A C 1734 O O . LYS A 245 ? 2.1780 1.5708 1.0681 -0.0812 0.2399 -0.2439 272 LYS A O 1735 C CB . LYS A 245 ? 2.0285 1.3932 0.8687 -0.0412 0.2215 -0.1646 272 LYS A CB 1736 C CG . LYS A 245 ? 2.2071 1.5367 1.0767 -0.0270 0.2179 -0.1514 272 LYS A CG 1737 C CD . LYS A 245 ? 2.3451 1.6775 1.1838 -0.0027 0.1945 -0.1219 272 LYS A CD 1738 C CE . LYS A 245 ? 2.1438 1.5058 1.0202 0.0061 0.1676 -0.1269 272 LYS A CE 1739 N NZ . LYS A 245 ? 1.9294 1.2955 0.7794 0.0353 0.1488 -0.1015 272 LYS A NZ 1740 N N . LEU A 246 ? 2.0727 1.4030 1.0258 -0.0674 0.2649 -0.2349 273 LEU A N 1741 C CA . LEU A 246 ? 1.9519 1.2722 0.9475 -0.0736 0.2673 -0.2624 273 LEU A CA 1742 C C . LEU A 246 ? 1.8674 1.1823 0.8887 -0.0664 0.2427 -0.2495 273 LEU A C 1743 O O . LEU A 246 ? 1.8630 1.1666 0.8987 -0.0561 0.2431 -0.2307 273 LEU A O 1744 C CB . LEU A 246 ? 1.9377 1.2320 0.9724 -0.0729 0.3052 -0.2826 273 LEU A CB 1745 C CG . LEU A 246 ? 1.8881 1.1557 0.9732 -0.0720 0.3152 -0.3089 273 LEU A CG 1746 C CD1 . LEU A 246 ? 1.9373 1.2072 1.0061 -0.0876 0.3097 -0.3369 273 LEU A CD1 1747 C CD2 . LEU A 246 ? 1.9380 1.1901 1.0678 -0.0622 0.3552 -0.3239 273 LEU A CD2 1748 N N . ILE A 247 ? 1.8827 1.2080 0.9063 -0.0763 0.2224 -0.2610 274 ILE A N 1749 C CA . ILE A 247 ? 1.7917 1.1205 0.8316 -0.0749 0.1968 -0.2495 274 ILE A CA 1750 C C . ILE A 247 ? 1.8530 1.1448 0.9207 -0.0885 0.2034 -0.2728 274 ILE A C 1751 O O . ILE A 247 ? 1.8635 1.1527 0.9206 -0.1065 0.2034 -0.2955 274 ILE A O 1752 C CB . ILE A 247 ? 1.8299 1.2119 0.8409 -0.0762 0.1626 -0.2360 274 ILE A CB 1753 C CG1 . ILE A 247 ? 1.9344 1.3385 0.9159 -0.0572 0.1592 -0.2116 274 ILE A CG1 1754 C CG2 . ILE A 247 ? 1.6474 1.0428 0.6765 -0.0771 0.1376 -0.2254 274 ILE A CG2 1755 C CD1 . ILE A 247 ? 1.8816 1.3448 0.8391 -0.0500 0.1283 -0.1968 274 ILE A CD1 1756 N N . TRP A 248 ? 1.8532 1.1352 0.9835 -0.0791 0.2032 -0.2578 275 TRP A N 1757 C CA . TRP A 248 ? 1.7119 0.9701 0.8993 -0.0850 0.2029 -0.2623 275 TRP A CA 1758 C C . TRP A 248 ? 1.8348 1.1217 1.0344 -0.0982 0.1660 -0.2427 275 TRP A C 1759 O O . TRP A 248 ? 1.7510 1.0817 0.9533 -0.0925 0.1443 -0.2181 275 TRP A O 1760 C CB . TRP A 248 ? 1.7228 0.9741 0.9851 -0.0659 0.2193 -0.2474 275 TRP A CB 1761 C CG . TRP A 248 ? 1.7957 1.0265 1.0595 -0.0541 0.2590 -0.2678 275 TRP A CG 1762 C CD1 . TRP A 248 ? 1.7260 0.9758 0.9760 -0.0467 0.2743 -0.2613 275 TRP A CD1 1763 C CD2 . TRP A 248 ? 1.8142 1.0025 1.0955 -0.0501 0.2914 -0.2997 275 TRP A CD2 1764 N NE1 . TRP A 248 ? 1.9076 1.1396 1.1650 -0.0404 0.3133 -0.2856 275 TRP A NE1 1765 C CE2 . TRP A 248 ? 1.7711 0.9664 1.0490 -0.0396 0.3254 -0.3115 275 TRP A CE2 1766 C CE3 . TRP A 248 ? 1.9659 1.1065 1.2646 -0.0558 0.2975 -0.3214 275 TRP A CE3 1767 C CZ2 . TRP A 248 ? 2.0150 1.1813 1.3087 -0.0314 0.3657 -0.3465 275 TRP A CZ2 1768 C CZ3 . TRP A 248 ? 2.0268 1.1259 1.3402 -0.0461 0.3383 -0.3577 275 TRP A CZ3 1769 C CH2 . TRP A 248 ? 2.0749 1.1918 1.3869 -0.0324 0.3723 -0.3710 275 TRP A CH2 1770 N N . LYS A 249 ? 1.8766 1.1369 1.0826 -0.1183 0.1616 -0.2558 276 LYS A N 1771 C CA . LYS A 249 ? 1.8756 1.1602 1.1003 -0.1366 0.1301 -0.2356 276 LYS A CA 1772 C C . LYS A 249 ? 1.8754 1.1236 1.1730 -0.1333 0.1335 -0.2176 276 LYS A C 1773 O O . LYS A 249 ? 2.0487 1.2408 1.3752 -0.1208 0.1619 -0.2320 276 LYS A O 1774 C CB . LYS A 249 ? 1.9832 1.2705 1.1555 -0.1705 0.1184 -0.2591 276 LYS A CB 1775 C CG . LYS A 249 ? 2.0856 1.4196 1.2670 -0.1937 0.0837 -0.2368 276 LYS A CG 1776 C CD . LYS A 249 ? 2.3160 1.6626 1.4465 -0.2334 0.0727 -0.2614 276 LYS A CD 1777 C CE . LYS A 249 ? 2.2997 1.6945 1.4460 -0.2612 0.0414 -0.2385 276 LYS A CE 1778 N NZ . LYS A 249 ? 2.3726 1.7925 1.4702 -0.3061 0.0297 -0.2627 276 LYS A NZ 1779 N N . VAL A 250 ? 1.7659 1.0508 1.0940 -0.1428 0.1048 -0.1841 277 VAL A N 1780 C CA . VAL A 250 ? 1.8580 1.1240 1.2567 -0.1380 0.1011 -0.1529 277 VAL A CA 1781 C C . VAL A 250 ? 1.9100 1.1642 1.3053 -0.1727 0.0801 -0.1428 277 VAL A C 1782 O O . VAL A 250 ? 1.9985 1.3147 1.3698 -0.1943 0.0525 -0.1309 277 VAL A O 1783 C CB . VAL A 250 ? 1.8151 1.1463 1.2541 -0.1226 0.0860 -0.1161 277 VAL A CB 1784 C CG1 . VAL A 250 ? 1.8390 1.1527 1.3548 -0.1051 0.0923 -0.0864 277 VAL A CG1 1785 C CG2 . VAL A 250 ? 1.7492 1.1071 1.1620 -0.1037 0.0990 -0.1305 277 VAL A CG2 1786 N N . ASN A 251 ? 2.1063 1.2799 1.5261 -0.1787 0.0951 -0.1484 278 ASN A N 1787 C CA . ASN A 251 ? 2.2271 1.3728 1.6374 -0.2188 0.0795 -0.1419 278 ASN A CA 1788 C C . ASN A 251 ? 2.0959 1.2912 1.5481 -0.2274 0.0486 -0.0858 278 ASN A C 1789 O O . ASN A 251 ? 2.0010 1.2341 1.5004 -0.1992 0.0440 -0.0531 278 ASN A O 1790 C CB . ASN A 251 ? 2.4581 1.4881 1.8847 -0.2216 0.1078 -0.1637 278 ASN A CB 1791 C CG . ASN A 251 ? 2.5214 1.5053 2.0302 -0.1827 0.1208 -0.1295 278 ASN A CG 1792 O OD1 . ASN A 251 ? 2.5831 1.6293 2.1366 -0.1572 0.1072 -0.0887 278 ASN A OD1 1793 N ND2 . ASN A 251 ? 2.4399 1.3156 1.9697 -0.1782 0.1480 -0.1472 278 ASN A ND2 1794 N N . PRO A 252 ? 2.0729 1.2787 1.5058 -0.2713 0.0268 -0.0740 279 PRO A N 1795 C CA . PRO A 252 ? 1.9415 1.2143 1.4037 -0.2852 -0.0039 -0.0213 279 PRO A CA 1796 C C . PRO A 252 ? 2.0631 1.2976 1.5962 -0.2660 -0.0039 0.0287 279 PRO A C 1797 O O . PRO A 252 ? 2.0443 1.3536 1.6073 -0.2632 -0.0259 0.0728 279 PRO A O 1798 C CB . PRO A 252 ? 1.9720 1.2521 1.3950 -0.3419 -0.0210 -0.0247 279 PRO A CB 1799 C CG . PRO A 252 ? 2.0254 1.2907 1.3885 -0.3538 -0.0070 -0.0824 279 PRO A CG 1800 C CD . PRO A 252 ? 2.1031 1.2846 1.4783 -0.3159 0.0271 -0.1105 279 PRO A CD 1801 N N . GLU A 253 ? 2.3129 1.4377 1.8745 -0.2513 0.0206 0.0233 280 GLU A N 1802 C CA . GLU A 253 ? 2.5334 1.6133 2.1633 -0.2352 0.0179 0.0780 280 GLU A CA 1803 C C . GLU A 253 ? 2.4151 1.5247 2.1083 -0.1801 0.0267 0.1009 280 GLU A C 1804 O O . GLU A 253 ? 2.3946 1.4717 2.1525 -0.1570 0.0262 0.1483 280 GLU A O 1805 C CB . GLU A 253 ? 2.7576 1.6964 2.3937 -0.2430 0.0419 0.0631 280 GLU A CB 1806 C CG . GLU A 253 ? 2.8430 1.7503 2.4255 -0.3078 0.0302 0.0521 280 GLU A CG 1807 C CD . GLU A 253 ? 2.8826 1.8420 2.4790 -0.3418 -0.0055 0.1178 280 GLU A CD 1808 O OE1 . GLU A 253 ? 2.8663 1.8461 2.5223 -0.3136 -0.0172 0.1780 280 GLU A OE1 1809 O OE2 . GLU A 253 ? 2.8998 1.8892 2.4469 -0.3990 -0.0223 0.1105 280 GLU A OE2 1810 N N . ILE A 254 ? 2.3296 1.5017 2.0074 -0.1594 0.0344 0.0719 281 ILE A N 1811 C CA . ILE A 254 ? 2.3216 1.5479 2.0564 -0.1189 0.0373 0.0972 281 ILE A CA 1812 C C . ILE A 254 ? 2.3149 1.6520 2.0607 -0.1361 0.0014 0.1444 281 ILE A C 1813 O O . ILE A 254 ? 2.2950 1.6802 1.9929 -0.1732 -0.0199 0.1410 281 ILE A O 1814 C CB . ILE A 254 ? 2.2322 1.4748 1.9435 -0.0960 0.0626 0.0477 281 ILE A CB 1815 C CG1 . ILE A 254 ? 2.1909 1.4781 1.8241 -0.1245 0.0524 0.0131 281 ILE A CG1 1816 C CG2 . ILE A 254 ? 2.2725 1.4159 1.9896 -0.0723 0.1021 0.0074 281 ILE A CG2 1817 C CD1 . ILE A 254 ? 2.1373 1.5314 1.7654 -0.1308 0.0288 0.0327 281 ILE A CD1 1818 N N . ASP A 255 ? 2.3252 1.7126 2.1348 -0.1101 -0.0047 0.1870 282 ASP A N 1819 C CA . ASP A 255 ? 2.2793 1.7780 2.1008 -0.1291 -0.0377 0.2317 282 ASP A CA 1820 C C . ASP A 255 ? 2.1385 1.7230 1.9418 -0.1253 -0.0354 0.2046 282 ASP A C 1821 O O . ASP A 255 ? 2.0591 1.6266 1.8713 -0.0973 -0.0098 0.1740 282 ASP A O 1822 C CB . ASP A 255 ? 2.3266 1.8454 2.2268 -0.1091 -0.0506 0.3007 282 ASP A CB 1823 C CG . ASP A 255 ? 2.2789 1.9076 2.1820 -0.1410 -0.0883 0.3526 282 ASP A CG 1824 O OD1 . ASP A 255 ? 2.2870 1.9097 2.1583 -0.1789 -0.1071 0.3704 282 ASP A OD1 1825 O OD2 . ASP A 255 ? 2.2299 1.9569 2.1647 -0.1326 -0.0984 0.3737 282 ASP A OD2 1826 N N . THR A 256 ? 2.9195 1.8250 2.1015 0.4071 0.1094 -0.0341 283 THR A N 1827 C CA . THR A 256 ? 2.7844 1.8024 2.0762 0.4049 0.0892 -0.0322 283 THR A CA 1828 C C . THR A 256 ? 2.9163 1.9177 2.1856 0.4251 0.0879 -0.0314 283 THR A C 1829 O O . THR A 256 ? 2.9914 1.9040 2.1861 0.4126 0.1086 -0.0358 283 THR A O 1830 C CB . THR A 256 ? 2.4749 1.5487 1.8534 0.3491 0.0929 -0.0400 283 THR A CB 1831 O OG1 . THR A 256 ? 2.3653 1.4405 1.7522 0.3293 0.0964 -0.0421 283 THR A OG1 1832 C CG2 . THR A 256 ? 2.2568 1.4414 1.7419 0.3504 0.0675 -0.0371 283 THR A CG2 1833 N N . THR A 257 ? 2.8477 1.9328 2.1776 0.4538 0.0644 -0.0268 284 THR A N 1834 C CA . THR A 257 ? 2.7767 1.8592 2.0952 0.4765 0.0597 -0.0258 284 THR A CA 1835 C C . THR A 257 ? 2.8488 1.9232 2.1931 0.4320 0.0741 -0.0315 284 THR A C 1836 O O . THR A 257 ? 2.9408 1.9218 2.2062 0.4184 0.0964 -0.0363 284 THR A O 1837 C CB . THR A 257 ? 2.4726 1.6643 1.8686 0.5050 0.0324 -0.0222 284 THR A CB 1838 O OG1 . THR A 257 ? 2.3888 1.5978 1.7623 0.5462 0.0198 -0.0220 284 THR A OG1 1839 C CG2 . THR A 257 ? 2.4356 1.6243 1.8181 0.5298 0.0276 -0.0220 284 THR A CG2 1840 N N . TRP A 261 ? 2.8025 1.6935 2.0364 0.3116 0.1561 -0.0710 288 TRP A N 1841 C CA . TRP A 261 ? 2.8360 1.7542 2.0964 0.3184 0.1503 -0.0713 288 TRP A CA 1842 C C . TRP A 261 ? 2.7158 1.7666 2.1065 0.3324 0.1195 -0.0664 288 TRP A C 1843 O O . TRP A 261 ? 2.8190 1.9322 2.2677 0.3419 0.1015 -0.0607 288 TRP A O 1844 C CB . TRP A 261 ? 3.0279 1.8595 2.1833 0.3672 0.1480 -0.0596 288 TRP A CB 1845 C CG . TRP A 261 ? 3.2724 1.9539 2.2796 0.3558 0.1764 -0.0634 288 TRP A CG 1846 C CD1 . TRP A 261 ? 3.3303 1.9101 2.2195 0.4013 0.1732 -0.0538 288 TRP A CD1 1847 C CD2 . TRP A 261 ? 3.3849 1.9977 2.3396 0.2941 0.2118 -0.0803 288 TRP A CD2 1848 N NE1 . TRP A 261 ? 3.4885 1.9299 2.2476 0.3715 0.2038 -0.0608 288 TRP A NE1 1849 C CE2 . TRP A 261 ? 3.5076 1.9685 2.3046 0.3024 0.2298 -0.0775 288 TRP A CE2 1850 C CE3 . TRP A 261 ? 3.2687 1.9352 2.2918 0.2325 0.2297 -0.1005 288 TRP A CE3 1851 C CZ2 . TRP A 261 ? 3.5472 1.9050 2.2497 0.2454 0.2676 -0.0927 288 TRP A CZ2 1852 C CZ3 . TRP A 261 ? 3.3000 1.8767 2.2381 0.1773 0.2674 -0.1187 288 TRP A CZ3 1853 C CH2 . TRP A 261 ? 3.4485 1.8706 2.2260 0.1811 0.2874 -0.1140 288 TRP A CH2 1854 N N . ALA A 262 ? 2.3232 1.4107 1.7530 0.3317 0.1140 -0.0688 289 ALA A N 1855 C CA . ALA A 262 ? 1.8572 1.0609 1.4025 0.3396 0.0862 -0.0655 289 ALA A CA 1856 C C . ALA A 262 ? 1.7999 1.0391 1.3531 0.3930 0.0603 -0.0479 289 ALA A C 1857 O O . ALA A 262 ? 1.9588 1.1357 1.4293 0.4306 0.0622 -0.0401 289 ALA A O 1858 C CB . ALA A 262 ? 1.7765 1.0025 1.3520 0.3267 0.0881 -0.0731 289 ALA A CB 1859 N N . PHE A 263 ? 1.6352 0.9761 1.2864 0.3958 0.0353 -0.0443 290 PHE A N 1860 C CA . PHE A 263 ? 1.6451 1.0350 1.3134 0.4367 0.0123 -0.0321 290 PHE A CA 1861 C C . PHE A 263 ? 1.6934 1.0757 1.3275 0.4795 0.0054 -0.0265 290 PHE A C 1862 O O . PHE A 263 ? 1.7150 1.1154 1.3316 0.5204 -0.0078 -0.0211 290 PHE A O 1863 C CB . PHE A 263 ? 1.5021 0.9941 1.2743 0.4214 -0.0112 -0.0308 290 PHE A CB 1864 C CG . PHE A 263 ? 1.4460 0.9890 1.2803 0.4095 -0.0219 -0.0337 290 PHE A CG 1865 C CD1 . PHE A 263 ? 1.4232 1.0042 1.2705 0.4390 -0.0362 -0.0267 290 PHE A CD1 1866 C CD2 . PHE A 263 ? 1.4157 0.9740 1.2974 0.3699 -0.0191 -0.0460 290 PHE A CD2 1867 C CE1 . PHE A 263 ? 1.4713 1.0968 1.3736 0.4280 -0.0464 -0.0290 290 PHE A CE1 1868 C CE2 . PHE A 263 ? 1.3666 0.9715 1.3042 0.3617 -0.0309 -0.0502 290 PHE A CE2 1869 C CZ . PHE A 263 ? 1.3459 0.9814 1.2925 0.3900 -0.0442 -0.0402 290 PHE A CZ 1870 N N . TRP A 264 ? 1.6715 1.0316 1.2963 0.4717 0.0134 -0.0300 291 TRP A N 1871 C CA . TRP A 264 ? 1.7669 1.1227 1.3632 0.5118 0.0054 -0.0255 291 TRP A CA 1872 C C . TRP A 264 ? 1.9330 1.1740 1.4060 0.5395 0.0209 -0.0256 291 TRP A C 1873 O O . TRP A 264 ? 2.0448 1.2700 1.4808 0.5775 0.0136 -0.0234 291 TRP A O 1874 C CB . TRP A 264 ? 1.6542 1.0478 1.3051 0.4914 0.0035 -0.0288 291 TRP A CB 1875 C CG . TRP A 264 ? 1.6862 1.0127 1.3009 0.4538 0.0291 -0.0389 291 TRP A CG 1876 C CD1 . TRP A 264 ? 1.7519 0.9867 1.2756 0.4608 0.0475 -0.0409 291 TRP A CD1 1877 C CD2 . TRP A 264 ? 1.6369 0.9842 1.3027 0.4018 0.0394 -0.0519 291 TRP A CD2 1878 N NE1 . TRP A 264 ? 1.7757 0.9748 1.2907 0.4113 0.0715 -0.0545 291 TRP A NE1 1879 C CE2 . TRP A 264 ? 1.6972 0.9699 1.3026 0.3759 0.0666 -0.0632 291 TRP A CE2 1880 C CE3 . TRP A 264 ? 1.5495 0.9702 1.3024 0.3752 0.0273 -0.0573 291 TRP A CE3 1881 C CZ2 . TRP A 264 ? 1.6861 0.9672 1.3227 0.3236 0.0832 -0.0828 291 TRP A CZ2 1882 C CZ3 . TRP A 264 ? 1.5399 0.9651 1.3224 0.3290 0.0405 -0.0760 291 TRP A CZ3 1883 C CH2 . TRP A 264 ? 1.6049 0.9665 1.3331 0.3032 0.0688 -0.0900 291 TRP A CH2 1884 N N . GLU A 265 ? 2.0773 1.2337 1.4808 0.5218 0.0410 -0.0287 292 GLU A N 1885 C CA . GLU A 265 ? 2.2001 1.2292 1.4706 0.5447 0.0558 -0.0289 292 GLU A CA 1886 C C . GLU A 265 ? 2.2899 1.2649 1.4951 0.5629 0.0579 -0.0274 292 GLU A C 1887 O O . GLU A 265 ? 2.3519 1.3411 1.5370 0.6154 0.0388 -0.0244 292 GLU A O 1888 C CB . GLU A 265 ? 2.2797 1.2288 1.5012 0.4963 0.0854 -0.0371 292 GLU A CB 1889 C CG . GLU A 265 ? 2.2920 1.2663 1.5667 0.4350 0.1021 -0.0471 292 GLU A CG 1890 C CD . GLU A 265 ? 2.3419 1.2483 1.5703 0.3839 0.1333 -0.0611 292 GLU A CD 1891 O OE1 . GLU A 265 ? 2.3087 1.1923 1.5293 0.3380 0.1542 -0.0729 292 GLU A OE1 1892 O OE2 . GLU A 265 ? 2.3928 1.2711 1.5920 0.3878 0.1378 -0.0622 292 GLU A OE2 1893 N N . SER A 276 ? 2.4418 2.0055 1.8302 0.7250 -0.0549 -0.0846 302 SER A N 1894 C CA . SER A 276 ? 2.5785 2.0650 1.8700 0.7808 -0.0558 -0.0952 302 SER A CA 1895 C C . SER A 276 ? 2.6487 2.1344 1.9294 0.7749 -0.0525 -0.0990 302 SER A C 1896 O O . SER A 276 ? 2.5750 2.1082 1.9189 0.7240 -0.0476 -0.0912 302 SER A O 1897 C CB . SER A 276 ? 2.6175 1.9627 1.8246 0.7837 -0.0425 -0.0820 302 SER A CB 1898 O OG . SER A 276 ? 2.5762 1.9178 1.7841 0.7954 -0.0462 -0.0804 302 SER A OG 1899 N N . GLU A 277 ? 2.8321 2.2589 2.0268 0.8299 -0.0570 -0.1120 303 GLU A N 1900 C CA . GLU A 277 ? 2.9053 2.3248 2.0786 0.8334 -0.0550 -0.1180 303 GLU A CA 1901 C C . GLU A 277 ? 3.1625 2.4568 2.2787 0.8021 -0.0358 -0.0989 303 GLU A C 1902 O O . GLU A 277 ? 3.1638 2.4580 2.2835 0.7837 -0.0303 -0.0979 303 GLU A O 1903 C CB . GLU A 277 ? 2.8420 2.2632 1.9484 0.9131 -0.0723 -0.1454 303 GLU A CB 1904 C CG . GLU A 277 ? 2.9032 2.2988 1.9658 0.9311 -0.0723 -0.1548 303 GLU A CG 1905 C CD . GLU A 277 ? 3.1165 2.3457 2.0547 0.9555 -0.0648 -0.1459 303 GLU A CD 1906 O OE1 . GLU A 277 ? 3.2092 2.4033 2.0928 0.9839 -0.0681 -0.1563 303 GLU A OE1 1907 O OE2 . GLU A 277 ? 3.1860 2.3170 2.0766 0.9446 -0.0552 -0.1297 303 GLU A OE2 1908 N N . GLU A 278 ? 3.3643 2.5572 2.4311 0.7907 -0.0241 -0.0851 304 GLU A N 1909 C CA . GLU A 278 ? 3.4184 2.4743 2.3994 0.7743 -0.0055 -0.0739 304 GLU A CA 1910 C C . GLU A 278 ? 3.2516 2.3125 2.2863 0.7038 0.0116 -0.0599 304 GLU A C 1911 O O . GLU A 278 ? 3.3502 2.3119 2.3190 0.6879 0.0275 -0.0544 304 GLU A O 1912 C CB . GLU A 278 ? 3.4776 2.4304 2.3894 0.7783 0.0034 -0.0667 304 GLU A CB 1913 C CG . GLU A 278 ? 3.5208 2.4544 2.3684 0.8512 -0.0151 -0.0806 304 GLU A CG 1914 C CD . GLU A 278 ? 3.5348 2.4138 2.3556 0.8459 -0.0095 -0.0731 304 GLU A CD 1915 O OE1 . GLU A 278 ? 3.3905 2.3381 2.3026 0.8005 -0.0042 -0.0643 304 GLU A OE1 1916 O OE2 . GLU A 278 ? 3.6473 2.4100 2.3507 0.8876 -0.0112 -0.0765 304 GLU A OE2 1917 N N . LEU A 279 ? 2.8943 2.0625 2.0398 0.6620 0.0078 -0.0556 305 LEU A N 1918 C CA . LEU A 279 ? 2.6744 1.8426 1.8679 0.5981 0.0209 -0.0441 305 LEU A CA 1919 C C . LEU A 279 ? 2.5855 1.7786 1.7876 0.5925 0.0197 -0.0473 305 LEU A C 1920 O O . LEU A 279 ? 2.4837 1.7328 1.6872 0.6294 0.0065 -0.0594 305 LEU A O 1921 C CB . LEU A 279 ? 2.4538 1.7129 1.7520 0.5570 0.0145 -0.0384 305 LEU A CB 1922 C CG . LEU A 279 ? 2.4252 1.6594 1.7301 0.5439 0.0193 -0.0330 305 LEU A CG 1923 C CD1 . LEU A 279 ? 2.4696 1.5842 1.7022 0.5251 0.0416 -0.0290 305 LEU A CD1 1924 C CD2 . LEU A 279 ? 2.4173 1.6734 1.7045 0.5933 0.0070 -0.0397 305 LEU A CD2 1925 N N . SER A 280 ? 2.6183 1.7727 1.8270 0.5452 0.0341 -0.0389 306 SER A N 1926 C CA . SER A 280 ? 2.6491 1.8217 1.8689 0.5318 0.0347 -0.0400 306 SER A CA 1927 C C . SER A 280 ? 2.5100 1.7193 1.8067 0.4692 0.0384 -0.0317 306 SER A C 1928 O O . SER A 280 ? 2.5332 1.6956 1.8301 0.4354 0.0508 -0.0267 306 SER A O 1929 C CB . SER A 280 ? 2.7460 1.8057 1.8641 0.5483 0.0488 -0.0412 306 SER A CB 1930 O OG . SER A 280 ? 2.7385 1.7261 1.8405 0.5002 0.0691 -0.0335 306 SER A OG 1931 N N . PHE A 281 ? 2.3312 1.6228 1.6887 0.4542 0.0271 -0.0328 307 PHE A N 1932 C CA . PHE A 281 ? 2.2232 1.5558 1.6533 0.4006 0.0239 -0.0264 307 PHE A CA 1933 C C . PHE A 281 ? 2.3147 1.6302 1.7365 0.3806 0.0295 -0.0258 307 PHE A C 1934 O O . PHE A 281 ? 2.4239 1.7658 1.8318 0.4019 0.0250 -0.0310 307 PHE A O 1935 C CB . PHE A 281 ? 2.1567 1.5931 1.6599 0.3926 0.0049 -0.0273 307 PHE A CB 1936 C CG . PHE A 281 ? 2.1986 1.6597 1.7164 0.4099 -0.0015 -0.0281 307 PHE A CG 1937 C CD1 . PHE A 281 ? 2.2087 1.6717 1.7681 0.3799 -0.0037 -0.0220 307 PHE A CD1 1938 C CD2 . PHE A 281 ? 2.2217 1.7075 1.7124 0.4583 -0.0068 -0.0374 307 PHE A CD2 1939 C CE1 . PHE A 281 ? 2.2184 1.7039 1.7913 0.3953 -0.0094 -0.0225 307 PHE A CE1 1940 C CE2 . PHE A 281 ? 2.2306 1.7400 1.7349 0.4745 -0.0129 -0.0387 307 PHE A CE2 1941 C CZ . PHE A 281 ? 2.2236 1.7313 1.7688 0.4417 -0.0135 -0.0299 307 PHE A CZ 1942 N N . THR A 282 ? 2.2693 1.5451 1.7009 0.3401 0.0391 -0.0220 308 THR A N 1943 C CA . THR A 282 ? 2.3048 1.5643 1.7340 0.3158 0.0443 -0.0216 308 THR A CA 1944 C C . THR A 282 ? 2.3047 1.5964 1.8020 0.2676 0.0366 -0.0198 308 THR A C 1945 O O . THR A 282 ? 2.4364 1.7190 1.9557 0.2493 0.0383 -0.0212 308 THR A O 1946 C CB . THR A 282 ? 2.3831 1.5415 1.7336 0.3184 0.0667 -0.0235 308 THR A CB 1947 O OG1 . THR A 282 ? 2.4385 1.5590 1.7965 0.2827 0.0789 -0.0252 308 THR A OG1 1948 C CG2 . THR A 282 ? 2.4011 1.5049 1.6707 0.3686 0.0725 -0.0259 308 THR A CG2 1949 N N . VAL A 283 ? 2.1555 1.4830 1.6826 0.2485 0.0271 -0.0186 309 VAL A N 1950 C CA . VAL A 283 ? 2.1448 1.5023 1.7311 0.2080 0.0139 -0.0181 309 VAL A CA 1951 C C . VAL A 283 ? 2.2663 1.5773 1.8389 0.1826 0.0252 -0.0222 309 VAL A C 1952 O O . VAL A 283 ? 2.2729 1.5531 1.8038 0.1907 0.0363 -0.0220 309 VAL A O 1953 C CB . VAL A 283 ? 1.9386 1.3648 1.5634 0.2000 -0.0069 -0.0146 309 VAL A CB 1954 C CG1 . VAL A 283 ? 1.9909 1.4206 1.5855 0.2111 -0.0020 -0.0152 309 VAL A CG1 1955 C CG2 . VAL A 283 ? 1.7225 1.1657 1.3959 0.1615 -0.0243 -0.0144 309 VAL A CG2 1956 N N . VAL A 284 ? 2.3614 1.6700 1.9691 0.1529 0.0218 -0.0286 310 VAL A N 1957 C CA . VAL A 284 ? 2.2906 1.5664 1.8943 0.1255 0.0311 -0.0372 310 VAL A CA 1958 C C . VAL A 284 ? 2.1648 1.4780 1.8102 0.1043 0.0095 -0.0367 310 VAL A C 1959 O O . VAL A 284 ? 2.0075 1.3538 1.7019 0.0880 -0.0114 -0.0409 310 VAL A O 1960 C CB . VAL A 284 ? 2.1810 1.4384 1.7984 0.1050 0.0402 -0.0511 310 VAL A CB 1961 C CG1 . VAL A 284 ? 2.1797 1.4121 1.7950 0.0749 0.0506 -0.0650 310 VAL A CG1 1962 C CG2 . VAL A 284 ? 2.0347 1.2452 1.6005 0.1228 0.0624 -0.0511 310 VAL A CG2 1963 N N . UNK A 286 ? 2.0956 1.5630 1.9794 0.0198 -0.2376 -0.0547 471 UNK A N 1964 C CA . UNK A 286 ? 2.0789 1.5673 1.9754 0.0350 -0.2100 -0.0528 471 UNK A CA 1965 C C . UNK A 286 ? 2.1410 1.6249 2.0162 0.0406 -0.1731 -0.0466 471 UNK A C 1966 O O . UNK A 286 ? 2.3675 1.8351 2.2258 0.0320 -0.1678 -0.0466 471 UNK A O 1967 C CB . UNK A 286 ? 2.0356 1.5306 1.9670 0.0414 -0.2124 -0.0737 471 UNK A CB 1968 N N . UNK A 287 ? 1.9570 1.4511 1.8286 0.0568 -0.1492 -0.0420 472 UNK A N 1969 C CA . UNK A 287 ? 1.8384 1.3195 1.6796 0.0679 -0.1166 -0.0369 472 UNK A CA 1970 C C . UNK A 287 ? 1.8385 1.3170 1.6768 0.0857 -0.0955 -0.0390 472 UNK A C 1971 O O . UNK A 287 ? 1.7083 1.2097 1.5557 0.0970 -0.1014 -0.0330 472 UNK A O 1972 C CB . UNK A 287 ? 1.6845 1.1810 1.5004 0.0722 -0.1145 -0.0224 472 UNK A CB 1973 N N . UNK A 288 ? 1.8877 1.3347 1.7084 0.0863 -0.0707 -0.0479 473 UNK A N 1974 C CA . UNK A 288 ? 1.8514 1.2815 1.6559 0.0999 -0.0482 -0.0508 473 UNK A CA 1975 C C . UNK A 288 ? 1.8983 1.3012 1.6487 0.1221 -0.0248 -0.0403 473 UNK A C 1976 O O . UNK A 288 ? 1.9624 1.3591 1.6904 0.1245 -0.0223 -0.0343 473 UNK A O 1977 C CB . UNK A 288 ? 1.8293 1.2365 1.6397 0.0820 -0.0344 -0.0710 473 UNK A CB 1978 N N . UNK A 289 ? 1.8478 1.2321 1.5738 0.1404 -0.0089 -0.0396 474 UNK A N 1979 C CA . UNK A 289 ? 1.9102 1.2632 1.5777 0.1692 0.0094 -0.0320 474 UNK A CA 1980 C C . UNK A 289 ? 2.0287 1.3429 1.6642 0.1815 0.0273 -0.0357 474 UNK A C 1981 O O . UNK A 289 ? 2.0639 1.3857 1.7291 0.1660 0.0259 -0.0438 474 UNK A O 1982 C CB . UNK A 289 ? 1.8037 1.2036 1.4772 0.1920 -0.0051 -0.0217 474 UNK A CB 1983 N N . UNK A 290 ? 1.9756 1.2458 1.5459 0.2107 0.0431 -0.0311 475 UNK A N 1984 C CA . UNK A 290 ? 1.9479 1.1626 1.4675 0.2236 0.0615 -0.0340 475 UNK A CA 1985 C C . UNK A 290 ? 1.9788 1.1881 1.4557 0.2705 0.0591 -0.0266 475 UNK A C 1986 O O . UNK A 290 ? 2.0358 1.2523 1.4904 0.2937 0.0548 -0.0232 475 UNK A O 1987 C CB . UNK A 290 ? 1.9967 1.1283 1.4520 0.2071 0.0887 -0.0415 475 UNK A CB 1988 N N . UNK A 291 ? 1.9610 1.1601 1.4266 0.2854 0.0611 -0.0267 476 UNK A N 1989 C CA . UNK A 291 ? 2.0120 1.2027 1.4334 0.3333 0.0579 -0.0233 476 UNK A CA 1990 C C . UNK A 291 ? 2.1887 1.2786 1.5204 0.3456 0.0793 -0.0260 476 UNK A C 1991 O O . UNK A 291 ? 2.1578 1.2241 1.4911 0.3250 0.0891 -0.0293 476 UNK A O 1992 C CB . UNK A 291 ? 1.9155 1.1804 1.3957 0.3431 0.0395 -0.0210 476 UNK A CB 1993 N N . UNK A 292 ? 2.3831 1.4104 1.6318 0.3788 0.0860 -0.0259 477 UNK A N 1994 C CA . UNK A 292 ? 2.4355 1.3472 1.5778 0.3907 0.1059 -0.0281 477 UNK A CA 1995 C C . UNK A 292 ? 2.5477 1.4354 1.6281 0.4528 0.0953 -0.0279 477 UNK A C 1996 O O . UNK A 292 ? 2.5824 1.5455 1.6993 0.4871 0.0749 -0.0289 477 UNK A O 1997 C CB . UNK A 292 ? 2.4657 1.2983 1.5415 0.3756 0.1238 -0.0301 477 UNK A CB 1998 N N . UNK A 293 ? 2.6275 1.4080 1.6094 0.4660 0.1093 -0.0292 478 UNK A N 1999 C CA . UNK A 293 ? 2.6083 1.3477 1.5150 0.5289 0.0981 -0.0313 478 UNK A CA 2000 C C . UNK A 293 ? 2.6792 1.3205 1.4726 0.5636 0.1017 -0.0345 478 UNK A C 2001 O O . UNK A 293 ? 2.6953 1.3795 1.5073 0.5816 0.0911 -0.0371 478 UNK A O 2002 C CB . UNK A 293 ? 2.5772 1.2528 1.4367 0.5269 0.1077 -0.0308 478 UNK A CB 2003 N N . GLU B 1 ? 1.7785 1.1185 1.2160 -0.2834 0.7045 -0.2319 502 GLU B N 2004 C CA . GLU B 1 ? 1.9800 1.3376 1.4070 -0.3190 0.6918 -0.2075 502 GLU B CA 2005 C C . GLU B 1 ? 2.0223 1.2991 1.3748 -0.3178 0.6212 -0.1587 502 GLU B C 2006 O O . GLU B 1 ? 1.8809 1.1340 1.2421 -0.2783 0.5757 -0.1407 502 GLU B O 2007 C CB . GLU B 1 ? 2.1600 1.6460 1.7416 -0.2927 0.6914 -0.2122 502 GLU B CB 2008 C CG . GLU B 1 ? 2.3096 1.8969 2.0079 -0.2708 0.7467 -0.2593 502 GLU B CG 2009 C CD . GLU B 1 ? 2.3100 2.0180 2.1677 -0.2369 0.7272 -0.2553 502 GLU B CD 2010 O OE1 . GLU B 1 ? 2.2229 1.9291 2.1204 -0.1998 0.6649 -0.2241 502 GLU B OE1 2011 O OE2 . GLU B 1 ? 2.3745 2.1819 2.3153 -0.2518 0.7733 -0.2827 502 GLU B OE2 2012 N N . ALA B 2 ? 1.8417 1.0776 1.1226 -0.3614 0.6106 -0.1386 503 ALA B N 2013 C CA . ALA B 2 ? 1.9991 1.1716 1.2291 -0.3534 0.5436 -0.0969 503 ALA B CA 2014 C C . ALA B 2 ? 1.7646 1.0184 1.1035 -0.3206 0.5115 -0.0830 503 ALA B C 2015 O O . ALA B 2 ? 1.7474 1.0963 1.1858 -0.3166 0.5391 -0.1004 503 ALA B O 2016 C CB . ALA B 2 ? 2.0034 1.0784 1.1010 -0.4094 0.5344 -0.0830 503 ALA B CB 2017 N N . ILE B 3 ? 1.9008 1.1185 1.2201 -0.2988 0.4524 -0.0520 504 ILE B N 2018 C CA . ILE B 3 ? 1.5651 0.8522 0.9770 -0.2651 0.4180 -0.0393 504 ILE B CA 2019 C C . ILE B 3 ? 1.6170 0.8604 0.9772 -0.2875 0.3952 -0.0234 504 ILE B C 2020 O O . ILE B 3 ? 1.7624 0.9146 1.0304 -0.2942 0.3627 -0.0052 504 ILE B O 2021 C CB . ILE B 3 ? 1.4580 0.7534 0.8996 -0.2195 0.3707 -0.0218 504 ILE B CB 2022 C CG1 . ILE B 3 ? 1.5168 0.8113 0.9659 -0.2056 0.3872 -0.0348 504 ILE B CG1 2023 C CG2 . ILE B 3 ? 1.4361 0.8208 0.9838 -0.1903 0.3473 -0.0161 504 ILE B CG2 2024 C CD1 . ILE B 3 ? 1.4106 0.7144 0.8842 -0.1693 0.3401 -0.0163 504 ILE B CD1 2025 N N . VAL B 4 ? 1.6053 0.9101 1.0255 -0.2980 0.4079 -0.0297 505 VAL B N 2026 C CA . VAL B 4 ? 1.5869 0.8500 0.9614 -0.3206 0.3877 -0.0181 505 VAL B CA 2027 C C . VAL B 4 ? 1.4275 0.7528 0.8850 -0.2834 0.3541 -0.0104 505 VAL B C 2028 O O . VAL B 4 ? 1.5791 0.9969 1.1307 -0.2804 0.3692 -0.0190 505 VAL B O 2029 C CB . VAL B 4 ? 1.6548 0.9315 1.0143 -0.3763 0.4307 -0.0313 505 VAL B CB 2030 C CG1 . VAL B 4 ? 1.7670 0.9919 1.0758 -0.3994 0.4030 -0.0179 505 VAL B CG1 2031 C CG2 . VAL B 4 ? 1.8261 1.0436 1.0944 -0.4214 0.4686 -0.0418 505 VAL B CG2 2032 N N . ASN B 5 ? 1.5054 0.7836 0.9296 -0.2570 0.3082 0.0047 506 ASN B N 2033 C CA . ASN B 5 ? 1.4128 0.7451 0.9016 -0.2284 0.2803 0.0080 506 ASN B CA 2034 C C . ASN B 5 ? 1.4328 0.7596 0.9122 -0.2595 0.2874 0.0039 506 ASN B C 2035 O O . ASN B 5 ? 1.5791 0.8138 0.9678 -0.2845 0.2791 0.0077 506 ASN B O 2036 C CB . ASN B 5 ? 1.2519 0.5414 0.7091 -0.1928 0.2347 0.0193 506 ASN B CB 2037 C CG . ASN B 5 ? 1.5317 0.8863 1.0550 -0.1644 0.2120 0.0175 506 ASN B CG 2038 O OD1 . ASN B 5 ? 1.2685 0.6288 0.7984 -0.1774 0.2134 0.0115 506 ASN B OD1 2039 N ND2 . ASN B 5 ? 1.1991 0.6031 0.7659 -0.1315 0.1916 0.0224 506 ASN B ND2 2040 N N . ALA B 6 ? 1.2534 0.6722 0.8210 -0.2614 0.2981 -0.0016 507 ALA B N 2041 C CA . ALA B 6 ? 1.3975 0.8226 0.9638 -0.2955 0.3039 -0.0041 507 ALA B CA 2042 C C . ALA B 6 ? 1.2897 0.7633 0.9097 -0.2738 0.2765 -0.0024 507 ALA B C 2043 O O . ALA B 6 ? 1.3802 0.9060 1.0444 -0.2975 0.2830 -0.0039 507 ALA B O 2044 C CB . ALA B 6 ? 1.3409 0.8360 0.9603 -0.3324 0.3466 -0.0130 507 ALA B CB 2045 N N . GLN B 7 ? 1.1467 0.6079 0.7625 -0.2325 0.2460 0.0004 508 GLN B N 2046 C CA . GLN B 7 ? 1.0958 0.6036 0.7536 -0.2131 0.2226 -0.0014 508 GLN B CA 2047 C C . GLN B 7 ? 1.2158 0.6466 0.8038 -0.2141 0.2038 -0.0080 508 GLN B C 2048 O O . GLN B 7 ? 1.2905 0.6235 0.7966 -0.2171 0.1973 -0.0078 508 GLN B O 2049 C CB . GLN B 7 ? 1.0594 0.6061 0.7519 -0.1717 0.2031 0.0020 508 GLN B CB 2050 C CG . GLN B 7 ? 1.1245 0.7309 0.8768 -0.1673 0.2151 0.0081 508 GLN B CG 2051 C CD . GLN B 7 ? 1.1467 0.8327 0.9785 -0.1869 0.2263 0.0083 508 GLN B CD 2052 O OE1 . GLN B 7 ? 1.0828 0.8114 0.9470 -0.1928 0.2111 0.0095 508 GLN B OE1 2053 N NE2 . GLN B 7 ? 1.1308 0.8381 0.9952 -0.1976 0.2526 0.0057 508 GLN B NE2 2054 N N . PRO B 8 ? 1.3285 0.7933 0.9410 -0.2130 0.1920 -0.0148 509 PRO B N 2055 C CA . PRO B 8 ? 1.3068 0.6909 0.8502 -0.2088 0.1741 -0.0267 509 PRO B CA 2056 C C . PRO B 8 ? 1.3676 0.6958 0.8735 -0.1612 0.1509 -0.0337 509 PRO B C 2057 O O . PRO B 8 ? 1.4009 0.6250 0.8307 -0.1557 0.1346 -0.0401 509 PRO B O 2058 C CB . PRO B 8 ? 1.2676 0.7166 0.8540 -0.2144 0.1690 -0.0348 509 PRO B CB 2059 C CG . PRO B 8 ? 1.2466 0.7936 0.9138 -0.2394 0.1836 -0.0215 509 PRO B CG 2060 C CD . PRO B 8 ? 1.0859 0.6539 0.7816 -0.2206 0.1929 -0.0123 509 PRO B CD 2061 N N . LYS B 9 ? 1.2461 0.6402 0.8043 -0.1276 0.1450 -0.0315 510 LYS B N 2062 C CA . LYS B 9 ? 1.2260 0.5894 0.7656 -0.0819 0.1215 -0.0370 510 LYS B CA 2063 C C . LYS B 9 ? 1.2271 0.6392 0.8027 -0.0693 0.1220 -0.0218 510 LYS B C 2064 O O . LYS B 9 ? 1.1288 0.6035 0.7500 -0.0890 0.1393 -0.0117 510 LYS B O 2065 C CB . LYS B 9 ? 1.2987 0.7049 0.8651 -0.0509 0.1092 -0.0587 510 LYS B CB 2066 C CG . LYS B 9 ? 1.4136 0.7463 0.9275 -0.0533 0.1031 -0.0790 510 LYS B CG 2067 C CD . LYS B 9 ? 1.6957 0.9877 1.1918 0.0009 0.0789 -0.1014 510 LYS B CD 2068 C CE . LYS B 9 ? 1.9291 1.1188 1.3582 0.0027 0.0684 -0.1232 510 LYS B CE 2069 N NZ . LYS B 9 ? 1.9467 1.1847 1.3906 -0.0171 0.0846 -0.1424 510 LYS B NZ 2070 N N . CYS B 10 ? 1.1818 0.5604 0.7361 -0.0354 0.0992 -0.0203 511 CYS B N 2071 C CA . CYS B 10 ? 1.2176 0.6420 0.8009 -0.0217 0.0928 -0.0064 511 CYS B CA 2072 C C . CYS B 10 ? 1.1901 0.6429 0.7935 0.0223 0.0650 -0.0145 511 CYS B C 2073 O O . CYS B 10 ? 1.3052 0.6886 0.8710 0.0481 0.0430 -0.0225 511 CYS B O 2074 C CB . CYS B 10 ? 1.3139 0.6607 0.8402 -0.0378 0.0943 0.0106 511 CYS B CB 2075 S SG . CYS B 10 ? 1.4037 0.7890 0.9493 -0.0219 0.0801 0.0279 511 CYS B SG 2076 N N . ASN B 11 ? 1.1466 0.7022 0.8103 0.0298 0.0639 -0.0126 512 ASN B N 2077 C CA . ASN B 11 ? 1.1791 0.7818 0.8699 0.0657 0.0402 -0.0172 512 ASN B CA 2078 C C . ASN B 11 ? 1.0766 0.6430 0.7417 0.0677 0.0226 0.0066 512 ASN B C 2079 O O . ASN B 11 ? 1.0649 0.6626 0.7400 0.0458 0.0296 0.0241 512 ASN B O 2080 C CB . ASN B 11 ? 1.1126 0.8403 0.8673 0.0613 0.0457 -0.0229 512 ASN B CB 2081 C CG . ASN B 11 ? 1.0349 0.8301 0.8249 0.0953 0.0260 -0.0334 512 ASN B CG 2082 O OD1 . ASN B 11 ? 1.0300 0.7819 0.8054 0.1262 0.0036 -0.0324 512 ASN B OD1 2083 N ND2 . ASN B 11 ? 0.9406 0.8460 0.7780 0.0865 0.0326 -0.0429 512 ASN B ND2 2084 N N . PRO B 12 ? 1.1703 0.6625 0.7972 0.0925 -0.0040 0.0084 513 PRO B N 2085 C CA . PRO B 12 ? 1.2580 0.6949 0.8421 0.0845 -0.0222 0.0340 513 PRO B CA 2086 C C . PRO B 12 ? 1.1790 0.6980 0.8050 0.0961 -0.0421 0.0464 513 PRO B C 2087 O O . PRO B 12 ? 1.2631 0.7424 0.8516 0.0818 -0.0556 0.0696 513 PRO B O 2088 C CB . PRO B 12 ? 1.2763 0.6026 0.8044 0.1056 -0.0524 0.0328 513 PRO B CB 2089 C CG . PRO B 12 ? 1.3029 0.6696 0.8775 0.1471 -0.0611 0.0039 513 PRO B CG 2090 C CD . PRO B 12 ? 1.1898 0.6340 0.8048 0.1281 -0.0226 -0.0127 513 PRO B CD 2091 N N . ASN B 13 ? 1.1212 0.7522 0.8169 0.1154 -0.0437 0.0317 514 ASN B N 2092 C CA . ASN B 13 ? 1.1854 0.9076 0.9224 0.1192 -0.0623 0.0434 514 ASN B CA 2093 C C . ASN B 13 ? 1.1501 0.9589 0.9192 0.0869 -0.0414 0.0474 514 ASN B C 2094 O O . ASN B 13 ? 1.0406 0.8851 0.8328 0.0783 -0.0180 0.0304 514 ASN B O 2095 C CB . ASN B 13 ? 1.0245 0.8198 0.8186 0.1632 -0.0822 0.0223 514 ASN B CB 2096 C CG . ASN B 13 ? 1.1729 0.8755 0.9398 0.2014 -0.1129 0.0187 514 ASN B CG 2097 O OD1 . ASN B 13 ? 1.2171 0.8415 0.9356 0.1950 -0.1395 0.0448 514 ASN B OD1 2098 N ND2 . ASN B 13 ? 1.1886 0.8903 0.9796 0.2395 -0.1123 -0.0138 514 ASN B ND2 2099 N N . LEU B 14 ? 1.0217 0.7826 0.9019 0.2183 0.1604 0.1218 515 LEU B N 2100 C CA . LEU B 14 ? 1.1010 0.8742 0.9446 0.1988 0.1369 0.0923 515 LEU B CA 2101 C C . LEU B 14 ? 1.0640 0.8631 0.9658 0.2148 0.1489 0.1132 515 LEU B C 2102 O O . LEU B 14 ? 1.0380 0.9045 1.0024 0.2232 0.1201 0.1443 515 LEU B O 2103 C CB . LEU B 14 ? 0.9678 0.7958 0.7982 0.1804 0.0776 0.0820 515 LEU B CB 2104 C CG . LEU B 14 ? 1.1005 0.9451 0.9067 0.1632 0.0551 0.0581 515 LEU B CG 2105 C CD1 . LEU B 14 ? 1.1242 0.9157 0.8623 0.1454 0.0757 0.0291 515 LEU B CD1 2106 C CD2 . LEU B 14 ? 1.0586 0.9472 0.8601 0.1475 0.0097 0.0505 515 LEU B CD2 2107 N N . HIS B 15 ? 1.0045 0.7510 0.8801 0.2132 0.1911 0.0961 516 HIS B N 2108 C CA . HIS B 15 ? 0.8561 0.6191 0.7771 0.2258 0.2065 0.1102 516 HIS B CA 2109 C C . HIS B 15 ? 0.9846 0.7666 0.8644 0.2017 0.1736 0.0814 516 HIS B C 2110 O O . HIS B 15 ? 1.0978 0.8342 0.9089 0.1786 0.1886 0.0505 516 HIS B O 2111 C CB . HIS B 15 ? 0.9248 0.6120 0.8415 0.2365 0.2809 0.1087 516 HIS B CB 2112 C CG . HIS B 15 ? 0.9855 0.6872 0.9589 0.2540 0.3047 0.1286 516 HIS B CG 2113 N ND1 . HIS B 15 ? 1.0853 0.7153 1.0460 0.2573 0.3744 0.1194 516 HIS B ND1 2114 C CD2 . HIS B 15 ? 0.9877 0.7648 1.0279 0.2661 0.2709 0.1568 516 HIS B CD2 2115 C CE1 . HIS B 15 ? 1.0371 0.7008 1.0602 0.2749 0.3815 0.1427 516 HIS B CE1 2116 N NE2 . HIS B 15 ? 1.0742 0.8292 1.1463 0.2802 0.3173 0.1667 516 HIS B NE2 2117 N N . TYR B 16 ? 0.8756 0.7254 0.7964 0.2029 0.1304 0.0943 517 TYR B N 2118 C CA . TYR B 16 ? 0.8700 0.7405 0.7592 0.1814 0.0970 0.0705 517 TYR B CA 2119 C C . TYR B 16 ? 0.8679 0.7636 0.7913 0.1857 0.0976 0.0777 517 TYR B C 2120 O O . TYR B 16 ? 0.8478 0.7604 0.8278 0.2054 0.1144 0.1052 517 TYR B O 2121 C CB . TYR B 16 ? 0.9319 0.8474 0.8241 0.1706 0.0501 0.0691 517 TYR B CB 2122 C CG . TYR B 16 ? 0.9599 0.9357 0.9117 0.1759 0.0262 0.0978 517 TYR B CG 2123 C CD1 . TYR B 16 ? 0.9563 0.9714 0.9309 0.1672 0.0061 0.0992 517 TYR B CD1 2124 C CD2 . TYR B 16 ? 1.0822 1.0786 1.0640 0.1834 0.0220 0.1257 517 TYR B CD2 2125 C CE1 . TYR B 16 ? 0.9156 0.9878 0.9333 0.1604 -0.0172 0.1255 517 TYR B CE1 2126 C CE2 . TYR B 16 ? 0.9378 0.9994 0.9689 0.1774 -0.0046 0.1577 517 TYR B CE2 2127 C CZ . TYR B 16 ? 0.9433 1.0421 0.9877 0.1629 -0.0244 0.1562 517 TYR B CZ 2128 O OH . TYR B 16 ? 0.8961 1.0612 0.9794 0.1464 -0.0514 0.1884 517 TYR B OH 2129 N N . TRP B 17 ? 0.8253 0.7266 0.7187 0.1672 0.0797 0.0571 518 TRP B N 2130 C CA . TRP B 17 ? 0.7661 0.6942 0.6868 0.1671 0.0736 0.0607 518 TRP B CA 2131 C C . TRP B 17 ? 0.7795 0.7421 0.6993 0.1522 0.0360 0.0511 518 TRP B C 2132 O O . TRP B 17 ? 0.8982 0.8526 0.7843 0.1391 0.0227 0.0372 518 TRP B O 2133 C CB . TRP B 17 ? 0.7861 0.6759 0.6721 0.1575 0.1034 0.0479 518 TRP B CB 2134 C CG . TRP B 17 ? 0.9308 0.7933 0.7486 0.1297 0.1004 0.0270 518 TRP B CG 2135 C CD1 . TRP B 17 ? 1.0264 0.8373 0.7862 0.1147 0.1271 0.0144 518 TRP B CD1 2136 C CD2 . TRP B 17 ? 0.8593 0.7484 0.6636 0.1102 0.0709 0.0220 518 TRP B CD2 2137 N NE1 . TRP B 17 ? 0.9429 0.7543 0.6505 0.0831 0.1101 0.0039 518 TRP B NE1 2138 C CE2 . TRP B 17 ? 1.0180 0.8799 0.7588 0.0828 0.0760 0.0119 518 TRP B CE2 2139 C CE3 . TRP B 17 ? 0.9478 0.8801 0.7903 0.1120 0.0443 0.0280 518 TRP B CE3 2140 C CZ2 . TRP B 17 ? 1.1045 0.9920 0.8295 0.0596 0.0519 0.0158 518 TRP B CZ2 2141 C CZ3 . TRP B 17 ? 0.8788 0.8268 0.7080 0.0933 0.0270 0.0286 518 TRP B CZ3 2142 C CH2 . TRP B 17 ? 1.0391 0.9700 0.8149 0.0685 0.0291 0.0264 518 TRP B CH2 2143 N N . THR B 18 ? 0.8749 0.8732 0.8337 0.1537 0.0238 0.0596 519 THR B N 2144 C CA . THR B 18 ? 0.8320 0.8539 0.7948 0.1392 -0.0006 0.0499 519 THR B CA 2145 C C . THR B 18 ? 0.8280 0.8780 0.8288 0.1401 -0.0029 0.0593 519 THR B C 2146 O O . THR B 18 ? 0.8042 0.8583 0.8281 0.1527 0.0121 0.0742 519 THR B O 2147 C CB . THR B 18 ? 0.8859 0.9233 0.8471 0.1297 -0.0209 0.0472 519 THR B CB 2148 O OG1 . THR B 18 ? 0.7878 0.8306 0.7460 0.1142 -0.0315 0.0327 519 THR B OG1 2149 C CG2 . THR B 18 ? 0.7340 0.8083 0.7310 0.1301 -0.0302 0.0693 519 THR B CG2 2150 N N . THR B 19 ? 0.7792 0.8448 0.7873 0.1260 -0.0172 0.0506 520 THR B N 2151 C CA . THR B 19 ? 0.8477 0.9391 0.8869 0.1206 -0.0210 0.0570 520 THR B CA 2152 C C . THR B 19 ? 0.8649 0.9875 0.9163 0.1042 -0.0375 0.0648 520 THR B C 2153 O O . THR B 19 ? 0.8936 1.0152 0.9262 0.0931 -0.0471 0.0594 520 THR B O 2154 C CB . THR B 19 ? 0.7179 0.8018 0.7585 0.1112 -0.0191 0.0442 520 THR B CB 2155 O OG1 . THR B 19 ? 0.8133 0.8864 0.8402 0.0978 -0.0232 0.0297 520 THR B OG1 2156 C CG2 . THR B 19 ? 0.7271 0.7939 0.7567 0.1191 -0.0081 0.0456 520 THR B CG2 2157 N N . GLN B 20 ? 0.9541 1.1080 1.0341 0.0977 -0.0417 0.0795 521 GLN B N 2158 C CA . GLN B 20 ? 0.9515 1.1468 1.0417 0.0730 -0.0602 0.0955 521 GLN B CA 2159 C C . GLN B 20 ? 1.0252 1.2120 1.0872 0.0363 -0.0656 0.0699 521 GLN B C 2160 O O . GLN B 20 ? 1.2367 1.4017 1.2971 0.0325 -0.0535 0.0515 521 GLN B O 2161 C CB . GLN B 20 ? 0.9689 1.2060 1.1017 0.0760 -0.0623 0.1262 521 GLN B CB 2162 C CG . GLN B 20 ? 0.9615 1.2532 1.1040 0.0390 -0.0854 0.1484 521 GLN B CG 2163 C CD . GLN B 20 ? 1.3292 1.6562 1.4828 0.0342 -0.1005 0.1794 521 GLN B CD 2164 O OE1 . GLN B 20 ? 1.3871 1.7032 1.5044 0.0135 -0.1100 0.1633 521 GLN B OE1 2165 N NE2 . GLN B 20 ? 1.4382 1.8093 1.6481 0.0537 -0.1002 0.2279 521 GLN B NE2 2166 N N . ASP B 21 ? 1.0926 1.2941 1.1328 0.0072 -0.0797 0.0698 522 ASP B N 2167 C CA . ASP B 21 ? 1.1687 1.3527 1.1728 -0.0352 -0.0767 0.0417 522 ASP B CA 2168 C C . ASP B 21 ? 1.2289 1.4538 1.2259 -0.0837 -0.0908 0.0535 522 ASP B C 2169 O O . ASP B 21 ? 1.2082 1.4087 1.1759 -0.1209 -0.0776 0.0264 522 ASP B O 2170 C CB . ASP B 21 ? 1.1952 1.3605 1.1648 -0.0472 -0.0791 0.0266 522 ASP B CB 2171 C CG . ASP B 21 ? 1.3665 1.4813 1.3290 -0.0195 -0.0594 0.0031 522 ASP B CG 2172 O OD1 . ASP B 21 ? 1.2709 1.3698 1.2094 -0.0234 -0.0602 -0.0076 522 ASP B OD1 2173 O OD2 . ASP B 21 ? 1.2272 1.3238 1.2103 0.0037 -0.0447 -0.0004 522 ASP B OD2 2174 N N . GLU B 22 ? 1.4553 1.7421 1.4795 -0.0877 -0.1143 0.0962 523 GLU B N 2175 C CA . GLU B 22 ? 1.5520 1.8928 1.5673 -0.1434 -0.1348 0.1173 523 GLU B CA 2176 C C . GLU B 22 ? 1.6082 2.0013 1.6776 -0.1291 -0.1437 0.1587 523 GLU B C 2177 O O . GLU B 22 ? 1.7361 2.1337 1.8544 -0.0757 -0.1367 0.1810 523 GLU B O 2178 C CB . GLU B 22 ? 1.4962 1.8841 1.4994 -0.1751 -0.1610 0.1448 523 GLU B CB 2179 C CG . GLU B 22 ? 1.7162 2.0572 1.6603 -0.1996 -0.1531 0.1045 523 GLU B CG 2180 C CD . GLU B 22 ? 2.0699 2.4621 2.0032 -0.2315 -0.1813 0.1353 523 GLU B CD 2181 O OE1 . GLU B 22 ? 2.1682 2.6304 2.1539 -0.2199 -0.2045 0.1935 523 GLU B OE1 2182 O OE2 . GLU B 22 ? 2.2402 2.6037 2.1172 -0.2682 -0.1778 0.1046 523 GLU B OE2 2183 N N . GLY B 23 ? 1.4875 1.9176 1.5441 -0.1815 -0.1560 0.1683 524 GLY B N 2184 C CA . GLY B 23 ? 1.5263 2.0159 1.6353 -0.1756 -0.1674 0.2128 524 GLY B CA 2185 C C . GLY B 23 ? 1.7130 2.1663 1.8250 -0.1626 -0.1466 0.1866 524 GLY B C 2186 O O . GLY B 23 ? 1.7085 2.1021 1.8241 -0.1175 -0.1220 0.1560 524 GLY B O 2187 N N . ALA B 24 ? 1.7312 2.2249 1.8416 -0.2058 -0.1578 0.2021 525 ALA B N 2188 C CA . ALA B 24 ? 1.6087 2.0725 1.7238 -0.1971 -0.1392 0.1807 525 ALA B CA 2189 C C . ALA B 24 ? 1.4375 1.9195 1.6221 -0.1334 -0.1337 0.2108 525 ALA B C 2190 O O . ALA B 24 ? 1.4682 1.9988 1.7032 -0.1061 -0.1441 0.2575 525 ALA B O 2191 C CB . ALA B 24 ? 1.5551 2.0567 1.6427 -0.2678 -0.1523 0.1888 525 ALA B CB 2192 N N . ALA B 25 ? 1.2811 1.7208 1.4697 -0.1112 -0.1124 0.1847 526 ALA B N 2193 C CA . ALA B 25 ? 1.1860 1.6335 1.4291 -0.0580 -0.1019 0.2057 526 ALA B CA 2194 C C . ALA B 25 ? 1.1701 1.6940 1.4595 -0.0708 -0.1184 0.2567 526 ALA B C 2195 O O . ALA B 25 ? 1.1744 1.7440 1.4476 -0.1266 -0.1397 0.2721 526 ALA B O 2196 C CB . ALA B 25 ? 1.0938 1.4820 1.3266 -0.0381 -0.0779 0.1678 526 ALA B CB 2197 N N . ILE B 26 ? 1.1569 1.6945 1.5032 -0.0223 -0.1058 0.2845 527 ILE B N 2198 C CA . ILE B 26 ? 1.1695 1.7806 1.5764 -0.0227 -0.1151 0.3402 527 ILE B CA 2199 C C . ILE B 26 ? 1.0596 1.6511 1.4725 -0.0128 -0.1008 0.3235 527 ILE B C 2200 O O . ILE B 26 ? 1.0551 1.6029 1.4809 0.0322 -0.0745 0.3079 527 ILE B O 2201 C CB . ILE B 26 ? 1.1187 1.7581 1.5947 0.0254 -0.1020 0.3890 527 ILE B CB 2202 C CG1 . ILE B 26 ? 1.0311 1.6914 1.5042 0.0156 -0.1167 0.4084 527 ILE B CG1 2203 C CG2 . ILE B 26 ? 0.9757 1.6940 1.5277 0.0285 -0.1063 0.4534 527 ILE B CG2 2204 C CD1 . ILE B 26 ? 1.0099 1.7414 1.4669 -0.0509 -0.1565 0.4361 527 ILE B CD1 2205 N N . GLY B 27 ? 0.8496 1.4726 1.2480 -0.0602 -0.1176 0.3268 528 GLY B N 2206 C CA . GLY B 27 ? 0.8503 1.4625 1.2590 -0.0537 -0.1062 0.3166 528 GLY B CA 2207 C C . GLY B 27 ? 0.9436 1.4710 1.3088 -0.0416 -0.0843 0.2569 528 GLY B C 2208 O O . GLY B 27 ? 0.9156 1.4020 1.2287 -0.0714 -0.0832 0.2195 528 GLY B O 2209 N N . LEU B 28 ? 0.8427 1.3451 1.2325 0.0005 -0.0638 0.2516 529 LEU B N 2210 C CA . LEU B 28 ? 0.8350 1.2721 1.1976 0.0125 -0.0451 0.2088 529 LEU B CA 2211 C C . LEU B 28 ? 0.7215 1.1116 1.0693 0.0450 -0.0311 0.1895 529 LEU B C 2212 O O . LEU B 28 ? 0.7430 1.0894 1.0769 0.0571 -0.0169 0.1648 529 LEU B O 2213 C CB . LEU B 28 ? 0.7678 1.2091 1.1591 0.0306 -0.0337 0.2160 529 LEU B CB 2214 C CG . LEU B 28 ? 0.9205 1.4105 1.3313 0.0021 -0.0461 0.2382 529 LEU B CG 2215 C CD1 . LEU B 28 ? 0.6647 1.1559 1.1069 0.0282 -0.0318 0.2459 529 LEU B CD1 2216 C CD2 . LEU B 28 ? 1.0236 1.4928 1.3915 -0.0468 -0.0510 0.2102 529 LEU B CD2 2217 N N . ALA B 29 ? 0.6164 1.0182 0.9686 0.0567 -0.0351 0.2044 530 ALA B N 2218 C CA . ALA B 29 ? 0.6621 1.0207 0.9981 0.0856 -0.0205 0.1885 530 ALA B CA 2219 C C . ALA B 29 ? 0.7958 1.1080 1.0890 0.0731 -0.0199 0.1516 530 ALA B C 2220 O O . ALA B 29 ? 0.8232 1.1001 1.1009 0.0931 -0.0086 0.1382 530 ALA B O 2221 C CB . ALA B 29 ? 0.6635 1.0443 1.0160 0.0981 -0.0231 0.2145 530 ALA B CB 2222 N N . TRP B 30 ? 0.7526 1.0626 1.0262 0.0380 -0.0279 0.1367 531 TRP B N 2223 C CA . TRP B 30 ? 0.6995 0.9618 0.9423 0.0279 -0.0184 0.1048 531 TRP B CA 2224 C C . TRP B 30 ? 0.6043 0.8362 0.8570 0.0382 -0.0011 0.0925 531 TRP B C 2225 O O . TRP B 30 ? 0.5983 0.7937 0.8418 0.0414 0.0114 0.0763 531 TRP B O 2226 C CB . TRP B 30 ? 0.6374 0.8987 0.8512 -0.0188 -0.0233 0.0911 531 TRP B CB 2227 C CG . TRP B 30 ? 0.6334 0.9113 0.8503 -0.0501 -0.0236 0.0936 531 TRP B CG 2228 C CD1 . TRP B 30 ? 0.6005 0.9353 0.8291 -0.0716 -0.0433 0.1216 531 TRP B CD1 2229 C CD2 . TRP B 30 ? 0.6657 0.9045 0.8775 -0.0647 -0.0014 0.0710 531 TRP B CD2 2230 N NE1 . TRP B 30 ? 0.7739 1.1064 0.9962 -0.1024 -0.0372 0.1141 531 TRP B NE1 2231 C CE2 . TRP B 30 ? 0.7369 1.0065 0.9484 -0.0977 -0.0093 0.0812 531 TRP B CE2 2232 C CE3 . TRP B 30 ? 0.6195 0.8029 0.8333 -0.0530 0.0262 0.0486 531 TRP B CE3 2233 C CZ2 . TRP B 30 ? 0.8003 1.0385 1.0062 -0.1200 0.0119 0.0634 531 TRP B CZ2 2234 C CZ3 . TRP B 30 ? 0.6465 0.8012 0.8650 -0.0710 0.0493 0.0360 531 TRP B CZ3 2235 C CH2 . TRP B 30 ? 0.6702 0.8481 0.8811 -0.1046 0.0432 0.0403 531 TRP B CH2 2236 N N . ILE B 31 ? 0.6102 0.8606 0.8868 0.0429 0.0002 0.1049 532 ILE B N 2237 C CA . ILE B 31 ? 0.7120 0.9421 1.0039 0.0511 0.0145 0.1004 532 ILE B CA 2238 C C . ILE B 31 ? 0.6268 0.8485 0.9210 0.0795 0.0186 0.1070 532 ILE B C 2239 O O . ILE B 31 ? 0.6975 0.9351 0.9926 0.0949 0.0162 0.1190 532 ILE B O 2240 C CB . ILE B 31 ? 0.6963 0.9516 1.0098 0.0438 0.0130 0.1121 532 ILE B CB 2241 C CG1 . ILE B 31 ? 0.6470 0.9075 0.9477 0.0042 0.0103 0.1038 532 ILE B CG1 2242 C CG2 . ILE B 31 ? 0.5851 0.8246 0.9186 0.0547 0.0263 0.1130 532 ILE B CG2 2243 C CD1 . ILE B 31 ? 0.5667 0.8637 0.8858 -0.0080 0.0030 0.1204 532 ILE B CD1 2244 N N . PRO B 32 ? 0.5716 0.7688 0.8672 0.0835 0.0279 0.1025 533 PRO B N 2245 C CA . PRO B 32 ? 0.7015 0.8966 0.9900 0.0987 0.0287 0.1119 533 PRO B CA 2246 C C . PRO B 32 ? 0.7321 0.9442 1.0262 0.1050 0.0304 0.1246 533 PRO B C 2247 O O . PRO B 32 ? 0.6460 0.8549 0.9183 0.1116 0.0338 0.1274 533 PRO B O 2248 C CB . PRO B 32 ? 0.6924 0.8735 0.9985 0.0961 0.0372 0.1169 533 PRO B CB 2249 C CG . PRO B 32 ? 0.5761 0.7356 0.8864 0.0849 0.0465 0.1008 533 PRO B CG 2250 C CD . PRO B 32 ? 0.5335 0.7036 0.8375 0.0711 0.0417 0.0917 533 PRO B CD 2251 N N . TYR B 33 ? 0.6251 0.8504 0.9442 0.1000 0.0322 0.1305 534 TYR B N 2252 C CA . TYR B 33 ? 0.5984 0.8389 0.9232 0.1039 0.0361 0.1422 534 TYR B CA 2253 C C . TYR B 33 ? 0.6933 0.9425 1.0102 0.1143 0.0401 0.1442 534 TYR B C 2254 O O . TYR B 33 ? 0.7091 0.9544 1.0144 0.1192 0.0528 0.1488 534 TYR B O 2255 C CB . TYR B 33 ? 0.5653 0.8189 0.9207 0.0964 0.0368 0.1481 534 TYR B CB 2256 C CG . TYR B 33 ? 0.6686 0.9400 1.0314 0.0989 0.0408 0.1598 534 TYR B CG 2257 C CD1 . TYR B 33 ? 0.5935 0.8848 0.9695 0.1018 0.0411 0.1638 534 TYR B CD1 2258 C CD2 . TYR B 33 ? 0.6818 0.9544 1.0393 0.0944 0.0445 0.1704 534 TYR B CD2 2259 C CE1 . TYR B 33 ? 0.8671 1.1721 1.2519 0.1047 0.0491 0.1741 534 TYR B CE1 2260 C CE2 . TYR B 33 ? 0.6758 0.9615 1.0340 0.0918 0.0510 0.1786 534 TYR B CE2 2261 C CZ . TYR B 33 ? 0.8649 1.1632 1.2373 0.0993 0.0554 0.1783 534 TYR B CZ 2262 O OH . TYR B 33 ? 0.9115 1.2202 1.2864 0.0975 0.0660 0.1861 534 TYR B OH 2263 N N . PHE B 34 ? 0.5515 0.8126 0.8762 0.1148 0.0331 0.1441 535 PHE B N 2264 C CA . PHE B 34 ? 0.6070 0.8853 0.9432 0.1274 0.0390 0.1578 535 PHE B CA 2265 C C . PHE B 34 ? 0.7210 0.9843 1.0393 0.1377 0.0432 0.1558 535 PHE B C 2266 O O . PHE B 34 ? 0.6949 0.9626 1.0263 0.1534 0.0587 0.1700 535 PHE B O 2267 C CB . PHE B 34 ? 0.5697 0.8871 0.9349 0.1170 0.0256 0.1724 535 PHE B CB 2268 C CG . PHE B 34 ? 0.7357 1.0716 1.1223 0.1089 0.0251 0.1790 535 PHE B CG 2269 C CD1 . PHE B 34 ? 0.5997 0.9473 1.0068 0.1234 0.0397 0.1938 535 PHE B CD1 2270 C CD2 . PHE B 34 ? 0.6005 0.9371 0.9853 0.0851 0.0150 0.1692 535 PHE B CD2 2271 C CE1 . PHE B 34 ? 0.6609 1.0271 1.0876 0.1156 0.0382 0.2005 535 PHE B CE1 2272 C CE2 . PHE B 34 ? 0.6418 0.9935 1.0454 0.0766 0.0157 0.1753 535 PHE B CE2 2273 C CZ . PHE B 34 ? 0.7193 1.0893 1.1446 0.0925 0.0242 0.1919 535 PHE B CZ 2274 N N . GLY B 35 ? 0.6660 0.9099 0.9593 0.1306 0.0341 0.1405 536 GLY B N 2275 C CA . GLY B 35 ? 0.6615 0.8942 0.9386 0.1377 0.0345 0.1386 536 GLY B CA 2276 C C . GLY B 35 ? 0.5991 0.7998 0.8487 0.1488 0.0553 0.1338 536 GLY B C 2277 O O . GLY B 35 ? 0.7049 0.8932 0.9444 0.1477 0.0709 0.1327 536 GLY B O 2278 N N . PRO B 36 ? 0.8580 1.0424 1.0891 0.1541 0.0573 0.1298 537 PRO B N 2279 C CA . PRO B 36 ? 0.8155 0.9621 1.0121 0.1590 0.0820 0.1227 537 PRO B CA 2280 C C . PRO B 36 ? 0.9076 1.0337 1.0621 0.1406 0.0780 0.1082 537 PRO B C 2281 O O . PRO B 36 ? 0.7559 0.8952 0.9158 0.1309 0.0570 0.1060 537 PRO B O 2282 C CB . PRO B 36 ? 0.8191 0.9591 1.0130 0.1683 0.0811 0.1249 537 PRO B CB 2283 C CG . PRO B 36 ? 0.8575 1.0239 1.0616 0.1580 0.0491 0.1228 537 PRO B CG 2284 C CD . PRO B 36 ? 0.7480 0.9459 0.9836 0.1509 0.0388 0.1307 537 PRO B CD 2285 N N . ALA B 37 ? 0.8827 0.9760 0.9960 0.1324 0.1022 0.1015 538 ALA B N 2286 C CA . ALA B 37 ? 0.9516 1.0332 1.0197 0.1068 0.0966 0.0952 538 ALA B CA 2287 C C . ALA B 37 ? 0.9749 1.0433 1.0179 0.1044 0.0863 0.0880 538 ALA B C 2288 O O . ALA B 37 ? 0.9425 1.0090 1.0013 0.1223 0.0836 0.0859 538 ALA B O 2289 C CB . ALA B 37 ? 0.8054 0.8562 0.8259 0.0862 0.1275 0.0893 538 ALA B CB 2290 N N . ALA B 38 ? 0.9389 1.0037 0.9433 0.0789 0.0790 0.0886 539 ALA B N 2291 C CA . ALA B 38 ? 0.9934 1.0508 0.9762 0.0746 0.0670 0.0849 539 ALA B CA 2292 C C . ALA B 38 ? 0.8975 0.9153 0.8471 0.0817 0.0889 0.0703 539 ALA B C 2293 O O . ALA B 38 ? 0.9374 0.9517 0.8873 0.0909 0.0786 0.0662 539 ALA B O 2294 C CB . ALA B 38 ? 0.8289 0.8976 0.7778 0.0408 0.0562 0.0968 539 ALA B CB 2295 N N . GLU B 39 ? 0.9232 0.9076 0.8468 0.0776 0.1238 0.0632 540 GLU B N 2296 C CA . GLU B 39 ? 0.9430 0.8808 0.8388 0.0846 0.1558 0.0517 540 GLU B CA 2297 C C . GLU B 39 ? 0.9233 0.8706 0.8792 0.1235 0.1604 0.0614 540 GLU B C 2298 O O . GLU B 39 ? 1.0685 0.9846 1.0171 0.1349 0.1836 0.0592 540 GLU B O 2299 C CB . GLU B 39 ? 1.0917 0.9800 0.9374 0.0629 0.2035 0.0401 540 GLU B CB 2300 C CG . GLU B 39 ? 1.5593 1.4379 1.3296 0.0105 0.2011 0.0331 540 GLU B CG 2301 C CD . GLU B 39 ? 1.6057 1.5321 1.3960 -0.0041 0.1750 0.0484 540 GLU B CD 2302 O OE1 . GLU B 39 ? 1.6896 1.6319 1.4356 -0.0472 0.1592 0.0558 540 GLU B OE1 2303 O OE2 . GLU B 39 ? 1.5597 1.5119 1.4126 0.0254 0.1696 0.0573 540 GLU B OE2 2304 N N . GLY B 40 ? 0.8107 0.8027 0.8255 0.1403 0.1393 0.0756 541 GLY B N 2305 C CA . GLY B 40 ? 0.9194 0.9317 0.9915 0.1685 0.1423 0.0935 541 GLY B CA 2306 C C . GLY B 40 ? 0.9470 1.0041 1.0523 0.1726 0.1019 0.1016 541 GLY B C 2307 O O . GLY B 40 ? 0.7956 0.8891 0.9512 0.1844 0.0939 0.1219 541 GLY B O 2308 N N . ILE B 41 ? 0.7276 0.7828 0.8040 0.1588 0.0786 0.0878 542 ILE B N 2309 C CA . ILE B 41 ? 0.7504 0.8364 0.8473 0.1559 0.0479 0.0892 542 ILE B CA 2310 C C . ILE B 41 ? 0.7861 0.8668 0.8744 0.1602 0.0425 0.0898 542 ILE B C 2311 O O . ILE B 41 ? 0.8565 0.9567 0.9503 0.1516 0.0198 0.0875 542 ILE B O 2312 C CB . ILE B 41 ? 0.6623 0.7508 0.7463 0.1398 0.0312 0.0773 542 ILE B CB 2313 C CG1 . ILE B 41 ? 0.6929 0.7557 0.7338 0.1307 0.0324 0.0677 542 ILE B CG1 2314 C CG2 . ILE B 41 ? 0.7040 0.8014 0.8009 0.1350 0.0358 0.0816 542 ILE B CG2 2315 C CD1 . ILE B 41 ? 0.7544 0.8265 0.7981 0.1185 0.0182 0.0666 542 ILE B CD1 2316 N N . TYR B 42 ? 0.6541 0.7916 0.8282 0.0408 -0.0392 0.1607 543 TYR B N 2317 C CA . TYR B 42 ? 0.7311 0.8385 0.8791 0.0468 -0.0335 0.1593 543 TYR B CA 2318 C C . TYR B 42 ? 0.7390 0.8403 0.8929 0.0655 -0.0362 0.1688 543 TYR B C 2319 O O . TYR B 42 ? 0.8449 0.9619 1.0293 0.0768 -0.0313 0.1789 543 TYR B O 2320 C CB . TYR B 42 ? 0.7055 0.7851 0.8249 0.0361 -0.0157 0.1539 543 TYR B CB 2321 C CG . TYR B 42 ? 0.7905 0.8770 0.9082 0.0099 -0.0209 0.1547 543 TYR B CG 2322 C CD1 . TYR B 42 ? 0.7669 0.8597 0.8960 0.0012 -0.0282 0.1614 543 TYR B CD1 2323 C CD2 . TYR B 42 ? 0.8048 0.8881 0.9116 -0.0082 -0.0170 0.1533 543 TYR B CD2 2324 C CE1 . TYR B 42 ? 0.7258 0.8325 0.8711 -0.0241 -0.0373 0.1729 543 TYR B CE1 2325 C CE2 . TYR B 42 ? 0.6710 0.7598 0.7761 -0.0391 -0.0301 0.1610 543 TYR B CE2 2326 C CZ . TYR B 42 ? 0.7787 0.8845 0.9107 -0.0466 -0.0431 0.1738 543 TYR B CZ 2327 O OH . TYR B 42 ? 0.7037 0.8226 0.8514 -0.0784 -0.0604 0.1918 543 TYR B OH 2328 N N . ILE B 43 ? 0.8290 0.9067 0.9580 0.0675 -0.0432 0.1699 544 ILE B N 2329 C CA . ILE B 43 ? 0.9031 0.9670 1.0314 0.0803 -0.0484 0.1828 544 ILE B CA 2330 C C . ILE B 43 ? 0.9614 0.9891 1.0569 0.0831 -0.0297 0.1751 544 ILE B C 2331 O O . ILE B 43 ? 0.7948 0.8098 0.8672 0.0716 -0.0190 0.1629 544 ILE B O 2332 C CB . ILE B 43 ? 1.0050 1.0587 1.1148 0.0724 -0.0773 0.1932 544 ILE B CB 2333 C CG1 . ILE B 43 ? 1.0220 1.0388 1.0803 0.0601 -0.0707 0.1780 544 ILE B CG1 2334 C CG2 . ILE B 43 ? 0.9228 1.0076 1.0596 0.0650 -0.0997 0.2041 544 ILE B CG2 2335 C CD1 . ILE B 43 ? 1.0828 1.0608 1.0924 0.0464 -0.0911 0.1846 544 ILE B CD1 2336 N N . GLU B 44 ? 0.8465 0.8593 0.9460 0.0972 -0.0281 0.1874 545 GLU B N 2337 C CA . GLU B 44 ? 0.8329 0.8068 0.8987 0.1003 -0.0109 0.1815 545 GLU B CA 2338 C C . GLU B 44 ? 0.7896 0.7431 0.8391 0.1034 -0.0289 0.1942 545 GLU B C 2339 O O . GLU B 44 ? 0.9725 0.9403 1.0415 0.1033 -0.0555 0.2134 545 GLU B O 2340 C CB . GLU B 44 ? 0.7943 0.7519 0.8705 0.1143 0.0194 0.1832 545 GLU B CB 2341 C CG . GLU B 44 ? 1.0066 0.9781 1.1376 0.1386 0.0209 0.2093 545 GLU B CG 2342 C CD . GLU B 44 ? 1.1836 1.1187 1.3171 0.1568 0.0648 0.2110 545 GLU B CD 2343 O OE1 . GLU B 44 ? 1.0572 0.9440 1.1429 0.1553 0.0798 0.2016 545 GLU B OE1 2344 O OE2 . GLU B 44 ? 1.2917 1.2401 1.4716 0.1721 0.0888 0.2222 545 GLU B OE2 2345 N N . GLY B 45 ? 0.7950 0.7116 0.8041 0.1009 -0.0177 0.1862 546 GLY B N 2346 C CA . GLY B 45 ? 0.8029 0.6909 0.7853 0.1004 -0.0327 0.1969 546 GLY B CA 2347 C C . GLY B 45 ? 0.9263 0.7765 0.8767 0.1035 -0.0127 0.1901 546 GLY B C 2348 O O . GLY B 45 ? 0.9638 0.8053 0.9028 0.1002 0.0101 0.1765 546 GLY B O 2349 N N . LEU B 46 ? 0.9594 0.7819 0.8883 0.1046 -0.0255 0.2022 547 LEU B N 2350 C CA . LEU B 46 ? 1.0730 0.8553 0.9681 0.1071 -0.0096 0.1981 547 LEU B CA 2351 C C . LEU B 46 ? 1.1181 0.8679 0.9665 0.0941 -0.0276 0.2029 547 LEU B C 2352 O O . LEU B 46 ? 1.1538 0.9020 1.0052 0.0907 -0.0565 0.2230 547 LEU B O 2353 C CB . LEU B 46 ? 1.0873 0.8605 1.0158 0.1305 0.0037 0.2141 547 LEU B CB 2354 C CG . LEU B 46 ? 1.1709 0.8933 1.0609 0.1342 0.0218 0.2114 547 LEU B CG 2355 C CD1 . LEU B 46 ? 1.1486 0.8474 0.9936 0.1192 0.0472 0.1865 547 LEU B CD1 2356 C CD2 . LEU B 46 ? 1.1025 0.8119 1.0358 0.1622 0.0382 0.2339 547 LEU B CD2 2357 N N . MET B 47 ? 1.1559 0.8771 0.9590 0.0825 -0.0120 0.1881 548 MET B N 2358 C CA . MET B 47 ? 1.1889 0.8682 0.9380 0.0694 -0.0200 0.1904 548 MET B CA 2359 C C . MET B 47 ? 1.1230 0.7705 0.8451 0.0702 -0.0038 0.1867 548 MET B C 2360 O O . MET B 47 ? 1.1724 0.8258 0.9010 0.0698 0.0165 0.1767 548 MET B O 2361 C CB . MET B 47 ? 1.3430 1.0111 1.0588 0.0514 -0.0106 0.1780 548 MET B CB 2362 C CG . MET B 47 ? 1.8232 1.4333 1.4686 0.0342 -0.0156 0.1806 548 MET B CG 2363 S SD . MET B 47 ? 2.0385 1.6148 1.6405 0.0182 0.0220 0.1648 548 MET B SD 2364 C CE . MET B 47 ? 2.0641 1.6314 1.6486 0.0076 0.0119 0.1631 548 MET B CE 2365 N N . HIS B 48 ? 1.1643 0.7732 0.8495 0.0660 -0.0165 0.1972 549 HIS B N 2366 C CA . HIS B 48 ? 1.2053 0.7782 0.8597 0.0658 -0.0045 0.1958 549 HIS B CA 2367 C C . HIS B 48 ? 1.2861 0.8282 0.8857 0.0448 0.0063 0.1862 549 HIS B C 2368 O O . HIS B 48 ? 1.3086 0.8495 0.8919 0.0327 0.0097 0.1807 549 HIS B O 2369 C CB . HIS B 48 ? 1.2296 0.7807 0.8895 0.0777 -0.0237 0.2187 549 HIS B CB 2370 C CG . HIS B 48 ? 1.4413 1.0240 1.1705 0.1022 -0.0259 0.2349 549 HIS B CG 2371 N ND1 . HIS B 48 ? 1.4529 1.0333 1.2052 0.1202 0.0048 0.2283 549 HIS B ND1 2372 C CD2 . HIS B 48 ? 1.4637 1.0765 1.2434 0.1095 -0.0521 0.2604 549 HIS B CD2 2373 C CE1 . HIS B 48 ? 1.3970 1.0044 1.2152 0.1423 0.0052 0.2474 549 HIS B CE1 2374 N NE2 . HIS B 48 ? 1.4498 1.0848 1.2945 0.1369 -0.0319 0.2697 549 HIS B NE2 2375 N N . ASN B 49 ? 1.2368 0.7476 0.8062 0.0405 0.0166 0.1853 550 ASN B N 2376 C CA . ASN B 49 ? 1.2104 0.6982 0.7412 0.0220 0.0353 0.1788 550 ASN B CA 2377 C C . ASN B 49 ? 1.2931 0.7307 0.7624 0.0085 0.0277 0.1829 550 ASN B C 2378 O O . ASN B 49 ? 1.3600 0.7611 0.7876 -0.0026 0.0382 0.1831 550 ASN B O 2379 C CB . ASN B 49 ? 1.1848 0.6593 0.7065 0.0179 0.0469 0.1786 550 ASN B CB 2380 C CG . ASN B 49 ? 1.3025 0.7783 0.8171 -0.0013 0.0687 0.1781 550 ASN B CG 2381 O OD1 . ASN B 49 ? 1.2464 0.7527 0.7926 -0.0055 0.0830 0.1778 550 ASN B OD1 2382 N ND2 . ASN B 49 ? 1.2300 0.6730 0.7098 -0.0124 0.0731 0.1823 550 ASN B ND2 2383 N N . GLN B 50 ? 1.2312 0.6859 0.9023 0.2112 -0.0546 0.1114 551 GLN B N 2384 C CA . GLN B 50 ? 1.2968 0.7179 0.9249 0.1930 -0.0837 0.1168 551 GLN B CA 2385 C C . GLN B 50 ? 1.3053 0.6911 0.8932 0.1363 -0.0681 0.1073 551 GLN B C 2386 O O . GLN B 50 ? 1.1846 0.6196 0.8183 0.1092 -0.0454 0.0973 551 GLN B O 2387 C CB . GLN B 50 ? 1.3696 0.8823 1.0753 0.2013 -0.1127 0.1256 551 GLN B CB 2388 C CG . GLN B 50 ? 1.8211 1.3890 1.5792 0.2601 -0.1287 0.1394 551 GLN B CG 2389 C CD . GLN B 50 ? 1.8947 1.5962 1.7776 0.2608 -0.1262 0.1458 551 GLN B CD 2390 O OE1 . GLN B 50 ? 2.0354 1.7765 1.9566 0.2154 -0.1182 0.1390 551 GLN B OE1 2391 N NE2 . GLN B 50 ? 1.7342 1.5048 1.6781 0.3136 -0.1317 0.1606 551 GLN B NE2 2392 N N . ASP B 51 ? 1.3217 0.6205 0.8196 0.1219 -0.0784 0.1119 552 ASP B N 2393 C CA . ASP B 51 ? 1.3894 0.6507 0.8393 0.0732 -0.0589 0.1074 552 ASP B CA 2394 C C . ASP B 51 ? 1.4323 0.6932 0.8905 0.0484 -0.0235 0.0982 552 ASP B C 2395 O O . ASP B 51 ? 1.3426 0.6145 0.7976 0.0103 -0.0020 0.0933 552 ASP B O 2396 C CB . ASP B 51 ? 1.3575 0.6718 0.8388 0.0509 -0.0639 0.1035 552 ASP B CB 2397 C CG . ASP B 51 ? 1.5271 0.8242 0.9818 0.0662 -0.1048 0.1126 552 ASP B CG 2398 O OD1 . ASP B 51 ? 1.4576 0.8205 0.9724 0.0689 -0.1260 0.1117 552 ASP B OD1 2399 O OD2 . ASP B 51 ? 1.5071 0.7206 0.8774 0.0737 -0.1185 0.1214 552 ASP B OD2 2400 N N . GLY B 52 ? 1.3788 0.6271 0.8451 0.0728 -0.0186 0.0962 553 GLY B N 2401 C CA . GLY B 52 ? 1.2588 0.4984 0.7273 0.0507 0.0071 0.0872 553 GLY B CA 2402 C C . GLY B 52 ? 1.2804 0.6085 0.8270 0.0340 0.0276 0.0747 553 GLY B C 2403 O O . GLY B 52 ? 1.3261 0.6539 0.8729 0.0049 0.0474 0.0671 553 GLY B O 2404 N N . LEU B 53 ? 1.1342 0.5372 0.7460 0.0507 0.0208 0.0734 554 LEU B N 2405 C CA . LEU B 53 ? 1.1092 0.5832 0.7803 0.0322 0.0379 0.0623 554 LEU B CA 2406 C C . LEU B 53 ? 1.0808 0.5770 0.7875 0.0434 0.0575 0.0527 554 LEU B C 2407 O O . LEU B 53 ? 1.0287 0.5532 0.7564 0.0219 0.0757 0.0414 554 LEU B O 2408 C CB . LEU B 53 ? 1.0888 0.6239 0.8103 0.0405 0.0204 0.0659 554 LEU B CB 2409 C CG . LEU B 53 ? 1.3607 0.8701 1.0411 0.0288 -0.0036 0.0732 554 LEU B CG 2410 C CD1 . LEU B 53 ? 1.3149 0.8818 1.0480 0.0362 -0.0300 0.0780 554 LEU B CD1 2411 C CD2 . LEU B 53 ? 1.4192 0.9062 1.0565 -0.0060 0.0135 0.0667 554 LEU B CD2 2412 N N . ILE B 54 ? 1.0029 0.4823 0.7096 0.0815 0.0542 0.0570 555 ILE B N 2413 C CA . ILE B 54 ? 1.0669 0.5584 0.7965 0.0982 0.0733 0.0484 555 ILE B CA 2414 C C . ILE B 54 ? 1.2278 0.6583 0.9071 0.0728 0.0821 0.0388 555 ILE B C 2415 O O . ILE B 54 ? 1.0937 0.5493 0.7964 0.0584 0.0974 0.0268 555 ILE B O 2416 C CB . ILE B 54 ? 1.1458 0.6320 0.8796 0.1534 0.0704 0.0571 555 ILE B CB 2417 C CG1 . ILE B 54 ? 1.0646 0.6355 0.8693 0.1735 0.0607 0.0693 555 ILE B CG1 2418 C CG2 . ILE B 54 ? 1.1625 0.6449 0.9019 0.1744 0.0926 0.0484 555 ILE B CG2 2419 C CD1 . ILE B 54 ? 0.9920 0.6463 0.8694 0.1503 0.0731 0.0647 555 ILE B CD1 2420 N N . CYS B 55 ? 1.1291 0.4764 0.7367 0.0649 0.0699 0.0450 556 CYS B N 2421 C CA . CYS B 55 ? 1.2787 0.5703 0.8420 0.0313 0.0734 0.0391 556 CYS B CA 2422 C C . CYS B 55 ? 1.3380 0.6768 0.9275 -0.0181 0.0847 0.0354 556 CYS B C 2423 O O . CYS B 55 ? 1.2234 0.5660 0.8182 -0.0436 0.0922 0.0272 556 CYS B O 2424 C CB . CYS B 55 ? 1.3034 0.4869 0.7768 0.0277 0.0561 0.0494 556 CYS B CB 2425 S SG . CYS B 55 ? 1.7492 0.8529 1.1661 0.0943 0.0433 0.0525 556 CYS B SG 2426 N N . GLY B 56 ? 1.1849 0.5588 0.7874 -0.0286 0.0848 0.0416 557 GLY B N 2427 C CA . GLY B 56 ? 1.1143 0.5387 0.7401 -0.0632 0.1000 0.0378 557 GLY B CA 2428 C C . GLY B 56 ? 1.1511 0.6452 0.8372 -0.0558 0.1131 0.0230 557 GLY B C 2429 O O . GLY B 56 ? 1.1098 0.6350 0.8117 -0.0785 0.1264 0.0157 557 GLY B O 2430 N N . LEU B 57 ? 1.0588 0.5801 0.7792 -0.0234 0.1096 0.0199 558 LEU B N 2431 C CA . LEU B 57 ? 0.9931 0.5703 0.7619 -0.0167 0.1221 0.0075 558 LEU B CA 2432 C C . LEU B 57 ? 1.0620 0.6259 0.8305 -0.0151 0.1308 -0.0036 558 LEU B C 2433 O O . LEU B 57 ? 0.9877 0.5862 0.7781 -0.0238 0.1417 -0.0154 558 LEU B O 2434 C CB . LEU B 57 ? 1.0328 0.6423 0.8394 0.0122 0.1170 0.0118 558 LEU B CB 2435 C CG . LEU B 57 ? 1.1249 0.7875 0.9771 0.0160 0.1285 0.0033 558 LEU B CG 2436 C CD1 . LEU B 57 ? 1.0724 0.7559 0.9205 -0.0090 0.1306 -0.0032 558 LEU B CD1 2437 C CD2 . LEU B 57 ? 1.1971 0.8957 1.0912 0.0377 0.1218 0.0144 558 LEU B CD2 2438 N N . ARG B 58 ? 0.9961 0.5015 0.7307 -0.0009 0.1232 -0.0005 559 ARG B N 2439 C CA . ARG B 58 ? 1.2084 0.6834 0.9273 -0.0002 0.1250 -0.0113 559 ARG B CA 2440 C C . ARG B 58 ? 1.2274 0.7064 0.9402 -0.0437 0.1236 -0.0153 559 ARG B C 2441 O O . ARG B 58 ? 0.9909 0.4878 0.7187 -0.0497 0.1268 -0.0276 559 ARG B O 2442 C CB . ARG B 58 ? 1.0980 0.4900 0.7617 0.0248 0.1135 -0.0064 559 ARG B CB 2443 C CG . ARG B 58 ? 1.0060 0.4057 0.6818 0.0761 0.1184 0.0000 559 ARG B CG 2444 C CD . ARG B 58 ? 1.1554 0.4667 0.7660 0.1121 0.1114 0.0017 559 ARG B CD 2445 N NE . ARG B 58 ? 1.1929 0.5239 0.8201 0.1673 0.1196 0.0113 559 ARG B NE 2446 C CZ . ARG B 58 ? 1.2328 0.6183 0.9061 0.1980 0.1405 0.0100 559 ARG B CZ 2447 N NH1 . ARG B 58 ? 1.0910 0.5067 0.7874 0.2470 0.1494 0.0232 559 ARG B NH1 2448 N NH2 . ARG B 58 ? 1.0538 0.4667 0.7507 0.1804 0.1531 -0.0028 559 ARG B NH2 2449 N N . GLN B 59 ? 1.0819 0.5480 0.7737 -0.0738 0.1193 -0.0034 560 GLN B N 2450 C CA . GLN B 59 ? 1.1380 0.6248 0.8348 -0.1175 0.1221 -0.0021 560 GLN B CA 2451 C C . GLN B 59 ? 1.0441 0.6178 0.7905 -0.1210 0.1399 -0.0091 560 GLN B C 2452 O O . GLN B 59 ? 1.1106 0.7245 0.8811 -0.1404 0.1446 -0.0147 560 GLN B O 2453 C CB . GLN B 59 ? 1.1415 0.5877 0.7969 -0.1486 0.1175 0.0161 560 GLN B CB 2454 C CG . GLN B 59 ? 1.0786 0.5578 0.7464 -0.1980 0.1246 0.0235 560 GLN B CG 2455 C CD . GLN B 59 ? 1.4137 0.8602 1.0720 -0.2242 0.1075 0.0204 560 GLN B CD 2456 O OE1 . GLN B 59 ? 1.3236 0.6883 0.9366 -0.2091 0.0880 0.0162 560 GLN B OE1 2457 N NE2 . GLN B 59 ? 1.1237 0.6334 0.8221 -0.2619 0.1132 0.0231 560 GLN B NE2 2458 N N . LEU B 60 ? 1.0355 0.6359 0.7937 -0.1009 0.1471 -0.0087 561 LEU B N 2459 C CA . LEU B 60 ? 1.0243 0.6880 0.8106 -0.0994 0.1619 -0.0159 561 LEU B CA 2460 C C . LEU B 60 ? 0.9195 0.6116 0.7344 -0.0834 0.1657 -0.0332 561 LEU B C 2461 O O . LEU B 60 ? 0.8559 0.5927 0.6886 -0.0901 0.1748 -0.0405 561 LEU B O 2462 C CB . LEU B 60 ? 0.8449 0.5120 0.6253 -0.0832 0.1607 -0.0121 561 LEU B CB 2463 C CG . LEU B 60 ? 0.9498 0.6600 0.7424 -0.0747 0.1712 -0.0214 561 LEU B CG 2464 C CD1 . LEU B 60 ? 0.8745 0.6143 0.6559 -0.0902 0.1874 -0.0187 561 LEU B CD1 2465 C CD2 . LEU B 60 ? 0.9066 0.6057 0.6892 -0.0627 0.1602 -0.0173 561 LEU B CD2 2466 N N . ALA B 61 ? 0.9099 0.5770 0.7268 -0.0585 0.1603 -0.0388 562 ALA B N 2467 C CA . ALA B 61 ? 1.0386 0.7188 0.8707 -0.0415 0.1647 -0.0542 562 ALA B CA 2468 C C . ALA B 61 ? 1.0511 0.7268 0.8804 -0.0571 0.1579 -0.0614 562 ALA B C 2469 O O . ALA B 61 ? 0.9220 0.6316 0.7674 -0.0535 0.1615 -0.0737 562 ALA B O 2470 C CB . ALA B 61 ? 0.8870 0.5369 0.7162 -0.0119 0.1643 -0.0544 562 ALA B CB 2471 N N . ASN B 62 ? 0.9224 0.5520 0.7273 -0.0753 0.1444 -0.0533 563 ASN B N 2472 C CA . ASN B 62 ? 0.9947 0.6169 0.7966 -0.1002 0.1306 -0.0572 563 ASN B CA 2473 C C . ASN B 62 ? 1.0292 0.7289 0.8690 -0.1267 0.1387 -0.0549 563 ASN B C 2474 O O . ASN B 62 ? 0.9031 0.6399 0.7665 -0.1297 0.1336 -0.0651 563 ASN B O 2475 C CB . ASN B 62 ? 1.0036 0.5507 0.7610 -0.1217 0.1124 -0.0455 563 ASN B CB 2476 C CG . ASN B 62 ? 1.1088 0.6497 0.8642 -0.1639 0.0930 -0.0439 563 ASN B CG 2477 O OD1 . ASN B 62 ? 1.0617 0.6524 0.8435 -0.2024 0.0971 -0.0321 563 ASN B OD1 2478 N ND2 . ASN B 62 ? 1.1282 0.6062 0.8495 -0.1575 0.0709 -0.0540 563 ASN B ND2 2479 N N . GLU B 63 ? 0.9565 0.6830 0.8005 -0.1417 0.1519 -0.0410 564 GLU B N 2480 C CA . GLU B 63 ? 0.9397 0.7427 0.8161 -0.1626 0.1656 -0.0349 564 GLU B CA 2481 C C . GLU B 63 ? 0.9210 0.7824 0.8195 -0.1314 0.1812 -0.0483 564 GLU B C 2482 O O . GLU B 63 ? 0.9311 0.8628 0.8590 -0.1371 0.1924 -0.0469 564 GLU B O 2483 C CB . GLU B 63 ? 0.9228 0.7244 0.7822 -0.1842 0.1783 -0.0146 564 GLU B CB 2484 C CG . GLU B 63 ? 1.1318 0.8736 0.9612 -0.2214 0.1639 0.0016 564 GLU B CG 2485 C CD . GLU B 63 ? 1.2180 0.9577 1.0246 -0.2428 0.1795 0.0227 564 GLU B CD 2486 O OE1 . GLU B 63 ? 1.3366 1.1210 1.1494 -0.2259 0.2011 0.0238 564 GLU B OE1 2487 O OE2 . GLU B 63 ? 1.3715 1.0547 1.1434 -0.2753 0.1696 0.0384 564 GLU B OE2 2488 N N . THR B 64 ? 1.0137 0.8299 0.7896 -0.0858 0.1402 0.0375 565 THR B N 2489 C CA . THR B 64 ? 1.0363 0.8946 0.8432 -0.0742 0.1367 0.0239 565 THR B CA 2490 C C . THR B 64 ? 0.9196 0.7971 0.7679 -0.0899 0.1250 0.0197 565 THR B C 2491 O O . THR B 64 ? 0.7312 0.6461 0.6120 -0.0846 0.1253 0.0136 565 THR B O 2492 C CB . THR B 64 ? 1.0376 0.8875 0.8233 -0.0506 0.1263 0.0092 565 THR B CB 2493 O OG1 . THR B 64 ? 0.9472 0.7881 0.6964 -0.0335 0.1361 0.0119 565 THR B OG1 2494 C CG2 . THR B 64 ? 0.8961 0.7788 0.7124 -0.0410 0.1200 -0.0053 565 THR B CG2 2495 N N . THR B 65 ? 0.8698 0.7207 0.7151 -0.1078 0.1142 0.0228 566 THR B N 2496 C CA . THR B 65 ? 0.8308 0.6944 0.7048 -0.1174 0.0981 0.0159 566 THR B CA 2497 C C . THR B 65 ? 0.8345 0.7453 0.7564 -0.1299 0.1020 0.0201 566 THR B C 2498 O O . THR B 65 ? 0.7805 0.7180 0.7297 -0.1241 0.0928 0.0128 566 THR B O 2499 C CB . THR B 65 ? 0.9421 0.7645 0.7963 -0.1329 0.0857 0.0168 566 THR B CB 2500 O OG1 . THR B 65 ? 0.8623 0.6437 0.6713 -0.1169 0.0838 0.0136 566 THR B OG1 2501 C CG2 . THR B 65 ? 0.7811 0.6154 0.6557 -0.1376 0.0675 0.0080 566 THR B CG2 2502 N N . GLN B 66 ? 0.8130 0.7364 0.7467 -0.1465 0.1160 0.0334 567 GLN B N 2503 C CA . GLN B 66 ? 0.8707 0.8463 0.8547 -0.1593 0.1193 0.0384 567 GLN B CA 2504 C C . GLN B 66 ? 0.7554 0.7733 0.7608 -0.1348 0.1262 0.0315 567 GLN B C 2505 O O . GLN B 66 ? 0.7745 0.8236 0.8139 -0.1317 0.1165 0.0261 567 GLN B O 2506 C CB . GLN B 66 ? 0.8148 0.8009 0.8090 -0.1822 0.1364 0.0564 567 GLN B CB 2507 C CG . GLN B 66 ? 0.8557 0.9075 0.9070 -0.1941 0.1426 0.0630 567 GLN B CG 2508 C CD . GLN B 66 ? 0.9911 1.0564 1.0581 -0.2229 0.1590 0.0833 567 GLN B CD 2509 O OE1 . GLN B 66 ? 1.1935 1.2102 1.2333 -0.2431 0.1582 0.0916 567 GLN B OE1 2510 N NE2 . GLN B 66 ? 0.9577 1.0889 1.0687 -0.2246 0.1747 0.0923 567 GLN B NE2 2511 N N . ALA B 67 ? 0.8301 0.8466 0.8130 -0.1153 0.1419 0.0309 568 ALA B N 2512 C CA . ALA B 67 ? 0.8355 0.8850 0.8331 -0.0904 0.1480 0.0216 568 ALA B CA 2513 C C . ALA B 67 ? 0.7923 0.8284 0.7896 -0.0756 0.1294 0.0060 568 ALA B C 2514 O O . ALA B 67 ? 0.7020 0.7652 0.7267 -0.0631 0.1265 -0.0007 568 ALA B O 2515 C CB . ALA B 67 ? 0.7748 0.8198 0.7401 -0.0722 0.1660 0.0218 568 ALA B CB 2516 N N . LEU B 68 ? 0.8015 0.7964 0.7683 -0.0763 0.1174 0.0013 569 LEU B N 2517 C CA . LEU B 68 ? 0.8343 0.8184 0.8018 -0.0654 0.1014 -0.0103 569 LEU B CA 2518 C C . LEU B 68 ? 0.8184 0.8178 0.8173 -0.0755 0.0879 -0.0085 569 LEU B C 2519 O O . LEU B 68 ? 0.7174 0.7280 0.7342 -0.0640 0.0805 -0.0143 569 LEU B O 2520 C CB . LEU B 68 ? 0.7462 0.6909 0.6763 -0.0636 0.0936 -0.0138 569 LEU B CB 2521 C CG . LEU B 68 ? 0.8485 0.7843 0.7796 -0.0552 0.0789 -0.0228 569 LEU B CG 2522 C CD1 . LEU B 68 ? 0.7490 0.6977 0.6915 -0.0382 0.0802 -0.0329 569 LEU B CD1 2523 C CD2 . LEU B 68 ? 0.6684 0.5738 0.5648 -0.0525 0.0736 -0.0246 569 LEU B CD2 2524 N N . GLN B 69 ? 0.7045 0.7022 0.7087 -0.0970 0.0834 -0.0005 570 GLN B N 2525 C CA . GLN B 69 ? 0.7477 0.7629 0.7794 -0.1064 0.0683 0.0005 570 GLN B CA 2526 C C . GLN B 69 ? 0.7391 0.8042 0.8147 -0.1014 0.0727 0.0031 570 GLN B C 2527 O O . GLN B 69 ? 0.6374 0.7188 0.7342 -0.0948 0.0605 0.0012 570 GLN B O 2528 C CB . GLN B 69 ? 0.7695 0.7697 0.7950 -0.1318 0.0606 0.0057 570 GLN B CB 2529 C CG . GLN B 69 ? 0.8645 0.8146 0.8469 -0.1329 0.0518 0.0014 570 GLN B CG 2530 C CD . GLN B 69 ? 0.9706 0.9152 0.9502 -0.1288 0.0331 -0.0045 570 GLN B CD 2531 O OE1 . GLN B 69 ? 0.7571 0.7279 0.7602 -0.1186 0.0280 -0.0055 570 GLN B OE1 2532 N NE2 . GLN B 69 ? 0.8356 0.7443 0.7837 -0.1350 0.0232 -0.0078 570 GLN B NE2 2533 N N . LEU B 70 ? 0.7179 0.8095 0.8066 -0.1022 0.0909 0.0087 571 LEU B N 2534 C CA . LEU B 70 ? 0.6881 0.8323 0.8188 -0.0924 0.0972 0.0107 571 LEU B CA 2535 C C . LEU B 70 ? 0.6899 0.8330 0.8192 -0.0621 0.0977 0.0001 571 LEU B C 2536 O O . LEU B 70 ? 0.6865 0.8604 0.8471 -0.0496 0.0934 -0.0008 571 LEU B O 2537 C CB . LEU B 70 ? 0.5818 0.7575 0.7246 -0.0993 0.1196 0.0205 571 LEU B CB 2538 C CG . LEU B 70 ? 0.7266 0.9127 0.8841 -0.1332 0.1203 0.0337 571 LEU B CG 2539 C CD1 . LEU B 70 ? 0.6167 0.8336 0.7839 -0.1388 0.1464 0.0465 571 LEU B CD1 2540 C CD2 . LEU B 70 ? 0.5870 0.8110 0.7886 -0.1463 0.1033 0.0353 571 LEU B CD2 2541 N N . PHE B 71 ? 0.6964 0.8038 0.7902 -0.0499 0.1017 -0.0082 572 PHE B N 2542 C CA . PHE B 71 ? 0.7426 0.8394 0.8329 -0.0253 0.0984 -0.0202 572 PHE B CA 2543 C C . PHE B 71 ? 0.7189 0.8005 0.8166 -0.0251 0.0787 -0.0213 572 PHE B C 2544 O O . PHE B 71 ? 0.7109 0.8007 0.8270 -0.0085 0.0740 -0.0247 572 PHE B O 2545 C CB . PHE B 71 ? 0.6817 0.7451 0.7329 -0.0165 0.1036 -0.0295 572 PHE B CB 2546 C CG . PHE B 71 ? 0.7246 0.7677 0.7698 0.0026 0.0958 -0.0433 572 PHE B CG 2547 C CD1 . PHE B 71 ? 0.7930 0.8462 0.8417 0.0250 0.1040 -0.0539 572 PHE B CD1 2548 C CD2 . PHE B 71 ? 0.7004 0.7134 0.7358 -0.0021 0.0805 -0.0458 572 PHE B CD2 2549 C CE1 . PHE B 71 ? 0.9205 0.9480 0.9630 0.0402 0.0949 -0.0680 572 PHE B CE1 2550 C CE2 . PHE B 71 ? 0.8291 0.8220 0.8622 0.0110 0.0731 -0.0570 572 PHE B CE2 2551 C CZ . PHE B 71 ? 0.8321 0.8290 0.8685 0.0311 0.0792 -0.0687 572 PHE B CZ 2552 N N . LEU B 72 ? 0.7133 0.7711 0.7942 -0.0414 0.0678 -0.0177 573 LEU B N 2553 C CA . LEU B 72 ? 0.7504 0.7959 0.8341 -0.0410 0.0509 -0.0164 573 LEU B CA 2554 C C . LEU B 72 ? 0.6951 0.7740 0.8124 -0.0422 0.0424 -0.0094 573 LEU B C 2555 O O . LEU B 72 ? 0.7207 0.7976 0.8472 -0.0315 0.0318 -0.0079 573 LEU B O 2556 C CB . LEU B 72 ? 0.6288 0.6456 0.6838 -0.0555 0.0431 -0.0146 573 LEU B CB 2557 C CG . LEU B 72 ? 0.7662 0.7523 0.7891 -0.0509 0.0479 -0.0211 573 LEU B CG 2558 C CD1 . LEU B 72 ? 0.6739 0.6363 0.6694 -0.0618 0.0411 -0.0189 573 LEU B CD1 2559 C CD2 . LEU B 72 ? 0.6205 0.5961 0.6459 -0.0365 0.0442 -0.0269 573 LEU B CD2 2560 N N . ARG B 73 ? 0.6200 0.7310 0.7569 -0.0556 0.0462 -0.0040 574 ARG B N 2561 C CA . ARG B 73 ? 0.7192 0.8714 0.8930 -0.0565 0.0369 0.0020 574 ARG B CA 2562 C C . ARG B 73 ? 0.7547 0.9319 0.9542 -0.0301 0.0415 0.0005 574 ARG B C 2563 O O . ARG B 73 ? 0.6300 0.8260 0.8508 -0.0205 0.0290 0.0045 574 ARG B O 2564 C CB . ARG B 73 ? 0.5979 0.7841 0.7926 -0.0789 0.0415 0.0079 574 ARG B CB 2565 C CG . ARG B 73 ? 0.6329 0.8752 0.8738 -0.0800 0.0328 0.0137 574 ARG B CG 2566 C CD . ARG B 73 ? 0.5675 0.8469 0.8341 -0.1059 0.0397 0.0204 574 ARG B CD 2567 N NE . ARG B 73 ? 0.8344 1.0825 1.0791 -0.1353 0.0286 0.0204 574 ARG B NE 2568 C CZ . ARG B 73 ? 0.9088 1.1704 1.1665 -0.1643 0.0325 0.0261 574 ARG B CZ 2569 N NH1 . ARG B 73 ? 0.8078 1.1207 1.1032 -0.1688 0.0492 0.0345 574 ARG B NH1 2570 N NH2 . ARG B 73 ? 0.8047 1.0275 1.0372 -0.1887 0.0202 0.0239 574 ARG B NH2 2571 N N . ALA B 74 ? 0.5863 0.7619 0.7807 -0.0155 0.0584 -0.0058 575 ALA B N 2572 C CA . ALA B 74 ? 0.6115 0.8110 0.8284 0.0120 0.0648 -0.0094 575 ALA B CA 2573 C C . ALA B 74 ? 0.6145 0.7720 0.8146 0.0334 0.0584 -0.0175 575 ALA B C 2574 O O . ALA B 74 ? 0.6254 0.7936 0.8424 0.0584 0.0590 -0.0205 575 ALA B O 2575 C CB . ALA B 74 ? 0.5490 0.7722 0.7680 0.0191 0.0874 -0.0129 575 ALA B CB 2576 N N . THR B 75 ? 0.5578 0.6685 0.7265 0.0245 0.0523 -0.0209 576 THR B N 2577 C CA . THR B 75 ? 0.6789 0.7495 0.8350 0.0393 0.0456 -0.0272 576 THR B CA 2578 C C . THR B 75 ? 0.7242 0.7861 0.8878 0.0385 0.0290 -0.0163 576 THR B C 2579 O O . THR B 75 ? 0.6334 0.7090 0.7990 0.0226 0.0207 -0.0069 576 THR B O 2580 C CB . THR B 75 ? 0.7380 0.7693 0.8608 0.0300 0.0473 -0.0353 576 THR B CB 2581 O OG1 . THR B 75 ? 0.6138 0.6089 0.7295 0.0424 0.0415 -0.0426 576 THR B OG1 2582 C CG2 . THR B 75 ? 0.6513 0.6714 0.7591 0.0077 0.0392 -0.0269 576 THR B CG2 2583 N N . THR B 76 ? 0.6387 0.6753 0.8043 0.0569 0.0237 -0.0176 577 THR B N 2584 C CA . THR B 76 ? 0.5863 0.6075 0.7538 0.0584 0.0092 -0.0049 577 THR B CA 2585 C C . THR B 76 ? 0.7193 0.6937 0.8627 0.0482 0.0048 -0.0038 577 THR B C 2586 O O . THR B 76 ? 0.7388 0.6985 0.8794 0.0470 -0.0051 0.0094 577 THR B O 2587 C CB . THR B 76 ? 0.7201 0.7432 0.9074 0.0863 0.0055 -0.0024 577 THR B CB 2588 O OG1 . THR B 76 ? 0.7296 0.7243 0.9109 0.1030 0.0131 -0.0172 577 THR B OG1 2589 C CG2 . THR B 76 ? 0.7334 0.8154 0.9510 0.0954 0.0069 0.0012 577 THR B CG2 2590 N N . GLU B 77 ? 0.6701 0.6246 0.7968 0.0411 0.0121 -0.0162 578 GLU B N 2591 C CA . GLU B 77 ? 0.8187 0.7400 0.9270 0.0278 0.0083 -0.0148 578 GLU B CA 2592 C C . GLU B 77 ? 0.5915 0.5249 0.6884 0.0101 0.0046 -0.0036 578 GLU B C 2593 O O . GLU B 77 ? 0.6761 0.6330 0.7691 0.0021 0.0082 -0.0055 578 GLU B O 2594 C CB . GLU B 77 ? 0.6854 0.5919 0.7792 0.0246 0.0151 -0.0318 578 GLU B CB 2595 C CG . GLU B 77 ? 1.0929 0.9695 1.1886 0.0389 0.0143 -0.0452 578 GLU B CG 2596 C CD . GLU B 77 ? 0.9503 0.8087 1.0286 0.0311 0.0155 -0.0606 578 GLU B CD 2597 O OE1 . GLU B 77 ? 1.0528 0.8852 1.1285 0.0198 0.0082 -0.0590 578 GLU B OE1 2598 O OE2 . GLU B 77 ? 0.9762 0.8494 1.0440 0.0358 0.0238 -0.0733 578 GLU B OE2 2599 N N . LEU B 78 ? 0.6258 0.5409 0.7156 0.0044 -0.0020 0.0084 579 LEU B N 2600 C CA . LEU B 78 ? 0.6140 0.5386 0.6877 -0.0089 -0.0049 0.0173 579 LEU B CA 2601 C C . LEU B 78 ? 0.6503 0.5705 0.7057 -0.0205 0.0014 0.0080 579 LEU B C 2602 O O . LEU B 78 ? 0.6922 0.6247 0.7336 -0.0280 0.0022 0.0073 579 LEU B O 2603 C CB . LEU B 78 ? 0.6974 0.6079 0.7668 -0.0094 -0.0114 0.0348 579 LEU B CB 2604 C CG . LEU B 78 ? 0.8470 0.7583 0.9308 0.0052 -0.0189 0.0468 579 LEU B CG 2605 C CD1 . LEU B 78 ? 0.7685 0.6627 0.8431 0.0043 -0.0235 0.0673 579 LEU B CD1 2606 C CD2 . LEU B 78 ? 0.8492 0.7960 0.9398 0.0094 -0.0246 0.0472 579 LEU B CD2 2607 N N . ARG B 79 ? 0.6411 0.5427 0.6959 -0.0212 0.0046 -0.0001 580 ARG B N 2608 C CA . ARG B 79 ? 0.6675 0.5682 0.7064 -0.0290 0.0093 -0.0094 580 ARG B CA 2609 C C . ARG B 79 ? 0.6714 0.5648 0.7127 -0.0227 0.0134 -0.0266 580 ARG B C 2610 O O . ARG B 79 ? 0.6902 0.5654 0.7425 -0.0176 0.0104 -0.0317 580 ARG B O 2611 C CB . ARG B 79 ? 0.6971 0.5892 0.7313 -0.0378 0.0070 -0.0016 580 ARG B CB 2612 C CG . ARG B 79 ? 0.7944 0.6921 0.8243 -0.0406 0.0037 0.0172 580 ARG B CG 2613 C CD . ARG B 79 ? 0.7467 0.6447 0.7711 -0.0493 0.0053 0.0262 580 ARG B CD 2614 N NE . ARG B 79 ? 0.9114 0.8143 0.9294 -0.0492 0.0036 0.0457 580 ARG B NE 2615 C CZ . ARG B 79 ? 0.7256 0.6354 0.7377 -0.0550 0.0070 0.0585 580 ARG B CZ 2616 N NH1 . ARG B 79 ? 0.7128 0.6283 0.7293 -0.0627 0.0112 0.0535 580 ARG B NH1 2617 N NH2 . ARG B 79 ? 0.6982 0.6133 0.7002 -0.0523 0.0061 0.0768 580 ARG B NH2 2618 N N . THR B 80 ? 0.7300 0.6341 0.7575 -0.0226 0.0198 -0.0356 581 THR B N 2619 C CA . THR B 80 ? 0.7098 0.6123 0.7342 -0.0136 0.0252 -0.0513 581 THR B CA 2620 C C . THR B 80 ? 0.6993 0.5948 0.7069 -0.0171 0.0245 -0.0613 581 THR B C 2621 O O . THR B 80 ? 0.6812 0.5842 0.6716 -0.0220 0.0270 -0.0587 581 THR B O 2622 C CB . THR B 80 ? 0.7068 0.6291 0.7276 -0.0101 0.0345 -0.0516 581 THR B CB 2623 O OG1 . THR B 80 ? 0.7313 0.6670 0.7739 -0.0048 0.0340 -0.0447 581 THR B OG1 2624 C CG2 . THR B 80 ? 0.6665 0.5894 0.6766 0.0003 0.0425 -0.0663 581 THR B CG2 2625 N N . PHE B 81 ? 0.7065 0.5868 0.7185 -0.0135 0.0197 -0.0738 582 PHE B N 2626 C CA . PHE B 81 ? 0.8041 0.6820 0.8037 -0.0167 0.0159 -0.0855 582 PHE B CA 2627 C C . PHE B 81 ? 0.7987 0.6724 0.7855 -0.0040 0.0175 -0.1055 582 PHE B C 2628 O O . PHE B 81 ? 0.8134 0.6871 0.7881 -0.0047 0.0123 -0.1175 582 PHE B O 2629 C CB . PHE B 81 ? 0.7424 0.6070 0.7581 -0.0282 0.0055 -0.0841 582 PHE B CB 2630 C CG . PHE B 81 ? 0.8530 0.7265 0.8758 -0.0400 0.0052 -0.0643 582 PHE B CG 2631 C CD1 . PHE B 81 ? 0.7701 0.6609 0.7845 -0.0466 0.0052 -0.0609 582 PHE B CD1 2632 C CD2 . PHE B 81 ? 0.7658 0.6322 0.8017 -0.0416 0.0050 -0.0488 582 PHE B CD2 2633 C CE1 . PHE B 81 ? 0.7965 0.6978 0.8144 -0.0542 0.0064 -0.0434 582 PHE B CE1 2634 C CE2 . PHE B 81 ? 0.8497 0.7254 0.8871 -0.0502 0.0053 -0.0305 582 PHE B CE2 2635 C CZ . PHE B 81 ? 0.7652 0.6586 0.7931 -0.0563 0.0068 -0.0282 582 PHE B CZ 2636 N N . SER B 82 ? 0.7271 0.6009 0.7155 0.0093 0.0244 -0.1097 583 SER B N 2637 C CA . SER B 82 ? 0.7704 0.6362 0.7474 0.0249 0.0254 -0.1302 583 SER B CA 2638 C C . SER B 82 ? 0.7199 0.6057 0.6734 0.0360 0.0385 -0.1333 583 SER B C 2639 O O . SER B 82 ? 0.7692 0.6531 0.7094 0.0526 0.0422 -0.1493 583 SER B O 2640 C CB . SER B 82 ? 0.8194 0.6710 0.8132 0.0372 0.0251 -0.1341 583 SER B CB 2641 O OG . SER B 82 ? 0.9091 0.7822 0.9147 0.0423 0.0355 -0.1198 583 SER B OG 2642 N N . ILE B 83 ? 0.6966 0.6070 0.6384 0.0572 -0.0752 -0.0713 584 ILE B N 2643 C CA . ILE B 83 ? 0.7552 0.7026 0.7710 0.0379 -0.0838 -0.0748 584 ILE B CA 2644 C C . ILE B 83 ? 0.7426 0.6747 0.7774 0.0197 -0.0659 -0.0540 584 ILE B C 2645 O O . ILE B 83 ? 0.7724 0.7181 0.8317 0.0113 -0.0620 -0.0427 584 ILE B O 2646 C CB . ILE B 83 ? 0.7311 0.6955 0.7877 0.0273 -0.0970 -0.1012 584 ILE B CB 2647 C CG1 . ILE B 83 ? 0.6703 0.6649 0.7185 0.0497 -0.1241 -0.1297 584 ILE B CG1 2648 C CG2 . ILE B 83 ? 0.6393 0.6180 0.7667 0.0021 -0.0914 -0.0994 584 ILE B CG2 2649 C CD1 . ILE B 83 ? 0.5962 0.6118 0.6839 0.0418 -0.1380 -0.1644 584 ILE B CD1 2650 N N . LEU B 84 ? 0.8052 0.7081 0.8280 0.0151 -0.0550 -0.0532 585 LEU B N 2651 C CA . LEU B 84 ? 0.7561 0.6466 0.7974 0.0055 -0.0492 -0.0412 585 LEU B CA 2652 C C . LEU B 84 ? 0.9319 0.8212 0.9505 0.0128 -0.0377 -0.0265 585 LEU B C 2653 O O . LEU B 84 ? 0.7813 0.6719 0.8074 0.0084 -0.0384 -0.0137 585 LEU B O 2654 C CB . LEU B 84 ? 0.7153 0.5840 0.7687 0.0018 -0.0462 -0.0571 585 LEU B CB 2655 C CG . LEU B 84 ? 0.8777 0.7461 0.9671 -0.0080 -0.0579 -0.0727 585 LEU B CG 2656 C CD1 . LEU B 84 ? 0.7676 0.6177 0.8813 -0.0105 -0.0553 -0.0932 585 LEU B CD1 2657 C CD2 . LEU B 84 ? 0.7274 0.5977 0.8457 -0.0165 -0.0685 -0.0580 585 LEU B CD2 2658 N N . ASN B 85 ? 0.7670 0.6472 0.7514 0.0251 -0.0246 -0.0282 586 ASN B N 2659 C CA . ASN B 85 ? 0.8269 0.7073 0.7977 0.0318 -0.0113 -0.0175 586 ASN B CA 2660 C C . ASN B 85 ? 0.8649 0.7741 0.8462 0.0323 -0.0196 -0.0060 586 ASN B C 2661 O O . ASN B 85 ? 0.7594 0.6762 0.7460 0.0289 -0.0123 0.0022 586 ASN B O 2662 C CB . ASN B 85 ? 0.7550 0.6069 0.6826 0.0460 0.0094 -0.0192 586 ASN B CB 2663 C CG . ASN B 85 ? 1.1578 0.9784 1.0863 0.0393 0.0356 -0.0352 586 ASN B CG 2664 O OD1 . ASN B 85 ? 0.9589 0.7892 0.9298 0.0283 0.0317 -0.0486 586 ASN B OD1 2665 N ND2 . ASN B 85 ? 1.1884 0.9666 1.0694 0.0476 0.0638 -0.0370 586 ASN B ND2 2666 N N . ARG B 86 ? 0.6783 0.6067 0.6681 0.0362 -0.0341 -0.0119 587 ARG B N 2667 C CA . ARG B 86 ? 0.7612 0.7222 0.7801 0.0333 -0.0377 -0.0117 587 ARG B CA 2668 C C . ARG B 86 ? 0.8100 0.7735 0.8578 0.0098 -0.0299 -0.0050 587 ARG B C 2669 O O . ARG B 86 ? 0.6717 0.6471 0.7300 0.0020 -0.0172 0.0005 587 ARG B O 2670 C CB . ARG B 86 ? 0.6558 0.6434 0.6918 0.0458 -0.0589 -0.0320 587 ARG B CB 2671 C CG . ARG B 86 ? 0.9951 1.0217 1.0708 0.0493 -0.0624 -0.0431 587 ARG B CG 2672 C CD . ARG B 86 ? 1.1122 1.1772 1.2315 0.0584 -0.0882 -0.0765 587 ARG B CD 2673 N NE . ARG B 86 ? 1.4521 1.5605 1.6453 0.0444 -0.0805 -0.0971 587 ARG B NE 2674 C CZ . ARG B 86 ? 1.5249 1.6768 1.7898 0.0405 -0.0933 -0.1365 587 ARG B CZ 2675 N NH1 . ARG B 86 ? 1.5483 1.7085 1.8147 0.0525 -0.1202 -0.1583 587 ARG B NH1 2676 N NH2 . ARG B 86 ? 1.4374 1.6261 1.7781 0.0229 -0.0758 -0.1601 587 ARG B NH2 2677 N N . LYS B 87 ? 0.6983 0.6432 0.7535 -0.0006 -0.0343 -0.0053 588 LYS B N 2678 C CA . LYS B 87 ? 0.7466 0.6715 0.8083 -0.0175 -0.0252 0.0079 588 LYS B CA 2679 C C . LYS B 87 ? 0.8869 0.7919 0.9112 -0.0129 -0.0189 0.0246 588 LYS B C 2680 O O . LYS B 87 ? 0.7421 0.6349 0.7513 -0.0217 -0.0051 0.0381 588 LYS B O 2681 C CB . LYS B 87 ? 0.6764 0.5777 0.7516 -0.0235 -0.0348 0.0043 588 LYS B CB 2682 C CG . LYS B 87 ? 0.7849 0.7063 0.9064 -0.0330 -0.0383 -0.0163 588 LYS B CG 2683 C CD . LYS B 87 ? 0.8770 0.8041 1.0330 -0.0524 -0.0179 -0.0169 588 LYS B CD 2684 C CE . LYS B 87 ? 0.9563 0.9014 1.1748 -0.0648 -0.0196 -0.0452 588 LYS B CE 2685 N NZ . LYS B 87 ? 0.8587 0.8166 1.1302 -0.0870 0.0083 -0.0584 588 LYS B NZ 2686 N N . ALA B 88 ? 0.8167 0.7164 0.8257 0.0006 -0.0257 0.0193 589 ALA B N 2687 C CA . ALA B 88 ? 0.8241 0.7148 0.8092 0.0079 -0.0241 0.0238 589 ALA B CA 2688 C C . ALA B 88 ? 0.8598 0.7711 0.8360 0.0071 -0.0079 0.0288 589 ALA B C 2689 O O . ALA B 88 ? 0.7466 0.6501 0.6978 0.0061 -0.0027 0.0371 589 ALA B O 2690 C CB . ALA B 88 ? 0.6536 0.5420 0.6462 0.0190 -0.0276 0.0050 589 ALA B CB 2691 N N . ILE B 89 ? 0.7189 0.6534 0.7108 0.0107 -0.0014 0.0223 590 ILE B N 2692 C CA . ILE B 89 ? 0.7858 0.7427 0.7814 0.0114 0.0126 0.0227 590 ILE B CA 2693 C C . ILE B 89 ? 0.7994 0.7632 0.8039 -0.0060 0.0245 0.0280 590 ILE B C 2694 O O . ILE B 89 ? 0.7019 0.6689 0.6932 -0.0118 0.0409 0.0314 590 ILE B O 2695 C CB . ILE B 89 ? 0.6941 0.6662 0.7016 0.0259 0.0102 0.0143 590 ILE B CB 2696 C CG1 . ILE B 89 ? 0.6871 0.6351 0.6724 0.0400 0.0145 0.0118 590 ILE B CG1 2697 C CG2 . ILE B 89 ? 0.6851 0.6841 0.7109 0.0280 0.0207 0.0102 590 ILE B CG2 2698 C CD1 . ILE B 89 ? 0.7028 0.6420 0.6725 0.0603 0.0123 0.0103 590 ILE B CD1 2699 N N . ASP B 90 ? 0.6652 0.6293 0.6943 -0.0169 0.0218 0.0248 591 ASP B N 2700 C CA . ASP B 90 ? 0.7187 0.6823 0.7653 -0.0389 0.0449 0.0250 591 ASP B CA 2701 C C . ASP B 90 ? 0.8042 0.7181 0.7958 -0.0483 0.0592 0.0480 591 ASP B C 2702 O O . ASP B 90 ? 0.7552 0.6560 0.7330 -0.0650 0.0899 0.0532 591 ASP B O 2703 C CB . ASP B 90 ? 0.7263 0.7016 0.8234 -0.0488 0.0409 0.0088 591 ASP B CB 2704 C CG . ASP B 90 ? 0.8008 0.8287 0.9518 -0.0377 0.0277 -0.0207 591 ASP B CG 2705 O OD1 . ASP B 90 ? 0.8032 0.8545 0.9593 -0.0284 0.0309 -0.0264 591 ASP B OD1 2706 O OD2 . ASP B 90 ? 0.9116 0.9574 1.1002 -0.0351 0.0109 -0.0412 591 ASP B OD2 2707 N N . PHE B 91 ? 0.8746 0.7562 0.8306 -0.0356 0.0377 0.0595 592 PHE B N 2708 C CA . PHE B 91 ? 0.8684 0.6982 0.7579 -0.0320 0.0395 0.0802 592 PHE B CA 2709 C C . PHE B 91 ? 0.7817 0.6201 0.6332 -0.0259 0.0491 0.0805 592 PHE B C 2710 O O . PHE B 91 ? 0.8415 0.6437 0.6366 -0.0327 0.0702 0.0954 592 PHE B O 2711 C CB . PHE B 91 ? 0.8659 0.6720 0.7406 -0.0121 0.0051 0.0810 592 PHE B CB 2712 C CG . PHE B 91 ? 1.0576 0.8070 0.8588 0.0029 -0.0066 0.0989 592 PHE B CG 2713 C CD1 . PHE B 91 ? 1.1120 0.8673 0.8758 0.0238 -0.0229 0.0913 592 PHE B CD1 2714 C CD2 . PHE B 91 ? 1.1078 0.7939 0.8748 0.0000 -0.0035 0.1208 592 PHE B CD2 2715 C CE1 . PHE B 91 ? 1.0471 0.7488 0.7329 0.0462 -0.0432 0.1040 592 PHE B CE1 2716 C CE2 . PHE B 91 ? 1.1495 0.7700 0.8308 0.0223 -0.0197 0.1405 592 PHE B CE2 2717 C CZ . PHE B 91 ? 1.0927 0.7223 0.7295 0.0480 -0.0434 0.1313 592 PHE B CZ 2718 N N . LEU B 92 ? 0.8464 0.7270 0.7240 -0.0135 0.0381 0.0631 593 LEU B N 2719 C CA . LEU B 92 ? 0.8652 0.7588 0.7168 -0.0069 0.0457 0.0570 593 LEU B CA 2720 C C . LEU B 92 ? 0.8931 0.8064 0.7572 -0.0257 0.0805 0.0548 593 LEU B C 2721 O O . LEU B 92 ? 0.9121 0.8124 0.7298 -0.0297 0.0986 0.0580 593 LEU B O 2722 C CB . LEU B 92 ? 0.7975 0.7245 0.6841 0.0089 0.0323 0.0360 593 LEU B CB 2723 C CG . LEU B 92 ? 0.9226 0.8355 0.8043 0.0266 0.0042 0.0254 593 LEU B CG 2724 C CD1 . LEU B 92 ? 0.6936 0.6313 0.6228 0.0335 0.0065 0.0028 593 LEU B CD1 2725 C CD2 . LEU B 92 ? 0.8769 0.7749 0.7078 0.0415 -0.0100 0.0204 593 LEU B CD2 2726 N N . LEU B 93 ? 0.8349 0.7806 0.7620 -0.0355 0.0888 0.0442 594 LEU B N 2727 C CA . LEU B 93 ? 0.8487 0.8222 0.8099 -0.0523 0.1196 0.0314 594 LEU B CA 2728 C C . LEU B 93 ? 0.7966 0.7320 0.7266 -0.0783 0.1563 0.0415 594 LEU B C 2729 O O . LEU B 93 ? 0.8959 0.8379 0.8235 -0.0941 0.1914 0.0328 594 LEU B O 2730 C CB . LEU B 93 ? 0.7506 0.7668 0.7894 -0.0498 0.1102 0.0112 594 LEU B CB 2731 C CG . LEU B 93 ? 0.8215 0.8621 0.8790 -0.0233 0.0848 0.0032 594 LEU B CG 2732 C CD1 . LEU B 93 ? 0.6149 0.6833 0.7262 -0.0140 0.0675 -0.0141 594 LEU B CD1 2733 C CD2 . LEU B 93 ? 0.6094 0.6712 0.6731 -0.0181 0.0988 -0.0063 594 LEU B CD2 2734 N N . GLN B 94 ? 0.8223 0.7114 0.7271 -0.0841 0.1545 0.0588 595 GLN B N 2735 C CA . GLN B 94 ? 0.9409 0.7749 0.8080 -0.1099 0.1987 0.0721 595 GLN B CA 2736 C C . GLN B 94 ? 1.0488 0.8301 0.8076 -0.1056 0.2153 0.0930 595 GLN B C 2737 O O . GLN B 94 ? 1.0196 0.7675 0.7447 -0.1297 0.2670 0.0959 595 GLN B O 2738 C CB . GLN B 94 ? 1.0153 0.8016 0.8751 -0.1127 0.1910 0.0883 595 GLN B CB 2739 C CG . GLN B 94 ? 1.3958 1.1069 1.2124 -0.1400 0.2444 0.1055 595 GLN B CG 2740 C CD . GLN B 94 ? 1.5839 1.3279 1.4852 -0.1765 0.2976 0.0739 595 GLN B CD 2741 O OE1 . GLN B 94 ? 1.4369 1.2600 1.4457 -0.1777 0.2817 0.0375 595 GLN B OE1 2742 N NE2 . GLN B 94 ? 1.6007 1.2808 1.4517 -0.2045 0.3620 0.0843 595 GLN B NE2 2743 N N . ARG B 95 ? 1.0442 0.8169 0.7477 -0.0746 0.1737 0.1024 596 ARG B N 2744 C CA . ARG B 95 ? 1.2626 0.9879 0.8561 -0.0609 0.1761 0.1167 596 ARG B CA 2745 C C . ARG B 95 ? 1.2091 0.9880 0.8127 -0.0558 0.1785 0.0930 596 ARG B C 2746 O O . ARG B 95 ? 1.3626 1.1103 0.8844 -0.0566 0.2006 0.0973 596 ARG B O 2747 C CB . ARG B 95 ? 1.2185 0.9057 0.7519 -0.0250 0.1235 0.1304 596 ARG B CB 2748 C CG . ARG B 95 ? 1.3528 0.9742 0.8635 -0.0257 0.1194 0.1559 596 ARG B CG 2749 C CD . ARG B 95 ? 1.2853 0.8697 0.7405 0.0145 0.0631 0.1637 596 ARG B CD 2750 N NE . ARG B 95 ? 1.5883 1.1065 1.0266 0.0156 0.0588 0.1876 596 ARG B NE 2751 C CZ . ARG B 95 ? 1.7020 1.1644 1.0798 0.0512 0.0147 0.1999 596 ARG B CZ 2752 N NH1 . ARG B 95 ? 1.9441 1.3443 1.3150 0.0502 0.0152 0.2213 596 ARG B NH1 2753 N NH2 . ARG B 95 ? 1.4120 0.8828 0.7438 0.0897 -0.0320 0.1854 596 ARG B NH2 2754 N N . TRP B 96 ? 1.1777 1.0297 0.8733 -0.0499 0.1591 0.0682 597 TRP B N 2755 C CA . TRP B 96 ? 1.1031 1.0019 0.8141 -0.0412 0.1582 0.0445 597 TRP B CA 2756 C C . TRP B 96 ? 1.0905 1.0503 0.8989 -0.0558 0.1787 0.0217 597 TRP B C 2757 O O . TRP B 96 ? 1.0184 1.0193 0.8589 -0.0462 0.1750 0.0010 597 TRP B O 2758 C CB . TRP B 96 ? 0.9297 0.8463 0.6474 -0.0109 0.1126 0.0326 597 TRP B CB 2759 C CG . TRP B 96 ? 1.1018 0.9661 0.7412 0.0109 0.0803 0.0467 597 TRP B CG 2760 C CD1 . TRP B 96 ? 1.0828 0.9261 0.7325 0.0225 0.0497 0.0559 597 TRP B CD1 2761 C CD2 . TRP B 96 ? 1.0802 0.9034 0.6149 0.0284 0.0715 0.0507 597 TRP B CD2 2762 N NE1 . TRP B 96 ? 1.1057 0.8988 0.6723 0.0477 0.0198 0.0644 597 TRP B NE1 2763 C CE2 . TRP B 96 ? 1.1062 0.8835 0.5941 0.0546 0.0299 0.0625 597 TRP B CE2 2764 C CE3 . TRP B 96 ? 1.0972 0.9164 0.5689 0.0273 0.0930 0.0428 597 TRP B CE3 2765 C CZ2 . TRP B 96 ? 1.2115 0.9358 0.5863 0.0854 0.0028 0.0681 597 TRP B CZ2 2766 C CZ3 . TRP B 96 ? 1.3062 1.0719 0.6574 0.0552 0.0701 0.0491 597 TRP B CZ3 2767 C CH2 . TRP B 96 ? 1.3558 1.0726 0.6565 0.0866 0.0224 0.0625 597 TRP B CH2 2768 N N . GLY B 97 ? 0.8286 1.2987 1.0189 -0.0062 -0.0258 -0.0762 598 GLY B N 2769 C CA . GLY B 97 ? 0.7762 1.3564 1.0391 -0.0124 -0.0327 -0.0923 598 GLY B CA 2770 C C . GLY B 97 ? 0.7880 1.4398 1.0677 -0.0018 -0.0048 -0.0870 598 GLY B C 2771 O O . GLY B 97 ? 0.7451 1.4942 1.0907 -0.0020 -0.0071 -0.0955 598 GLY B O 2772 N N . GLY B 98 ? 0.8856 1.4927 1.1087 0.0071 0.0233 -0.0708 599 GLY B N 2773 C CA . GLY B 98 ? 0.8674 1.5315 1.0967 0.0199 0.0537 -0.0655 599 GLY B CA 2774 C C . GLY B 98 ? 0.9103 1.5127 1.0628 0.0569 0.0623 -0.0551 599 GLY B C 2775 O O . GLY B 98 ? 0.9416 1.4673 1.0436 0.0777 0.0382 -0.0515 599 GLY B O 2776 N N . THR B 99 ? 1.0128 1.6486 1.1550 0.0637 0.0969 -0.0484 600 THR B N 2777 C CA . THR B 99 ? 0.9972 1.5768 1.0603 0.0932 0.1077 -0.0385 600 THR B CA 2778 C C . THR B 99 ? 1.0626 1.5600 1.0646 0.0684 0.1223 -0.0150 600 THR B C 2779 O O . THR B 99 ? 1.0990 1.6050 1.1161 0.0282 0.1513 -0.0042 600 THR B O 2780 C CB . THR B 99 ? 1.1478 1.7857 1.2166 0.1058 0.1451 -0.0390 600 THR B CB 2781 O OG1 . THR B 99 ? 0.9675 1.6679 1.0831 0.1391 0.1317 -0.0583 600 THR B OG1 2782 C CG2 . THR B 99 ? 1.0922 1.6662 1.0691 0.1243 0.1620 -0.0267 600 THR B CG2 2783 N N . CYS B 100 ? 1.0819 1.5012 1.0168 0.0918 0.1023 -0.0045 601 CYS B N 2784 C CA . CYS B 100 ? 1.1422 1.4803 1.0200 0.0740 0.1133 0.0231 601 CYS B CA 2785 C C . CYS B 100 ? 1.2122 1.5411 1.0327 0.0763 0.1473 0.0398 601 CYS B C 2786 O O . CYS B 100 ? 1.2294 1.5380 0.9954 0.1074 0.1380 0.0419 601 CYS B O 2787 C CB . CYS B 100 ? 1.1291 1.3939 0.9677 0.0979 0.0748 0.0323 601 CYS B CB 2788 S SG . CYS B 100 ? 1.1684 1.3417 0.9841 0.0697 0.0791 0.0624 601 CYS B SG 2789 N N . HIS B 101 ? 1.2566 1.5986 1.0857 0.0413 0.1867 0.0518 602 HIS B N 2790 C CA . HIS B 101 ? 1.3782 1.7093 1.1526 0.0389 0.2220 0.0698 602 HIS B CA 2791 C C . HIS B 101 ? 1.3823 1.6250 1.0904 0.0324 0.2205 0.1021 602 HIS B C 2792 O O . HIS B 101 ? 1.4036 1.6143 1.1228 0.0010 0.2337 0.1182 602 HIS B O 2793 C CB . HIS B 101 ? 1.3514 1.7387 1.1676 0.0045 0.2652 0.0711 602 HIS B CB 2794 C CG . HIS B 101 ? 1.3972 1.8793 1.2836 0.0105 0.2709 0.0472 602 HIS B CG 2795 N ND1 . HIS B 101 ? 1.5058 2.0359 1.3874 0.0277 0.2996 0.0428 602 HIS B ND1 2796 C CD2 . HIS B 101 ? 1.4559 1.9951 1.4205 0.0007 0.2538 0.0294 602 HIS B CD2 2797 C CE1 . HIS B 101 ? 1.4156 2.0302 1.3748 0.0308 0.3008 0.0256 602 HIS B CE1 2798 N NE2 . HIS B 101 ? 1.4148 2.0393 1.4255 0.0135 0.2713 0.0178 602 HIS B NE2 2799 N N . ILE B 102 ? 1.4081 1.6111 1.0471 0.0606 0.2053 0.1134 603 ILE B N 2800 C CA . ILE B 102 ? 1.5505 1.6759 1.1284 0.0567 0.2010 0.1502 603 ILE B CA 2801 C C . ILE B 102 ? 1.5495 1.6641 1.1115 0.0235 0.2457 0.1747 603 ILE B C 2802 O O . ILE B 102 ? 1.5557 1.7145 1.1161 0.0148 0.2788 0.1677 603 ILE B O 2803 C CB . ILE B 102 ? 1.5933 1.6908 1.0962 0.0876 0.1789 0.1591 603 ILE B CB 2804 C CG1 . ILE B 102 ? 1.4429 1.5513 0.9641 0.1199 0.1346 0.1341 603 ILE B CG1 2805 C CG2 . ILE B 102 ? 1.5343 1.5590 0.9784 0.0828 0.1717 0.2037 603 ILE B CG2 2806 C CD1 . ILE B 102 ? 1.4386 1.5209 0.8850 0.1473 0.1109 0.1397 603 ILE B CD1 2807 N N . LEU B 103 ? 1.5541 1.6086 1.1071 0.0055 0.2490 0.2047 604 LEU B N 2808 C CA . LEU B 103 ? 1.6180 1.6467 1.1590 -0.0275 0.2885 0.2333 604 LEU B CA 2809 C C . LEU B 103 ? 1.6043 1.6649 1.2119 -0.0636 0.3143 0.2168 604 LEU B C 2810 O O . LEU B 103 ? 1.6535 1.6853 1.2585 -0.0946 0.3459 0.2390 604 LEU B O 2811 C CB . LEU B 103 ? 1.6835 1.7255 1.1691 -0.0296 0.3179 0.2482 604 LEU B CB 2812 C CG . LEU B 103 ? 1.7226 1.7241 1.1270 -0.0064 0.2991 0.2741 604 LEU B CG 2813 C CD1 . LEU B 103 ? 1.7981 1.8075 1.1476 -0.0182 0.3349 0.2911 604 LEU B CD1 2814 C CD2 . LEU B 103 ? 1.7345 1.6645 1.1215 -0.0052 0.2795 0.3128 604 LEU B CD2 2815 N N . GLY B 104 ? 1.5419 1.6615 1.2087 -0.0630 0.3019 0.1809 605 GLY B N 2816 C CA . GLY B 104 ? 1.5291 1.6825 1.2580 -0.1016 0.3212 0.1668 605 GLY B CA 2817 C C . GLY B 104 ? 1.6060 1.6975 1.3504 -0.1219 0.3124 0.1731 605 GLY B C 2818 O O . GLY B 104 ? 1.5139 1.5468 1.2342 -0.0992 0.2857 0.1838 605 GLY B O 2819 N N . PRO B 105 ? 1.6704 1.7719 1.4540 -0.1668 0.3366 0.1675 606 PRO B N 2820 C CA . PRO B 105 ? 1.6850 1.7172 1.4764 -0.1910 0.3359 0.1725 606 PRO B CA 2821 C C . PRO B 105 ? 1.6621 1.7020 1.4903 -0.1826 0.2984 0.1447 606 PRO B C 2822 O O . PRO B 105 ? 1.7724 1.7401 1.5936 -0.1883 0.2919 0.1510 606 PRO B O 2823 C CB . PRO B 105 ? 1.6608 1.7081 1.4778 -0.2463 0.3756 0.1722 606 PRO B CB 2824 C CG . PRO B 105 ? 1.5822 1.7345 1.4353 -0.2493 0.3808 0.1537 606 PRO B CG 2825 C CD . PRO B 105 ? 1.5671 1.7386 1.3850 -0.1997 0.3689 0.1593 606 PRO B CD 2826 N N . ASP B 106 ? 1.6194 1.7424 1.4870 -0.1686 0.2758 0.1160 607 ASP B N 2827 C CA . ASP B 106 ? 1.5731 1.7133 1.4801 -0.1624 0.2397 0.0893 607 ASP B CA 2828 C C . ASP B 106 ? 1.4584 1.5911 1.3474 -0.1075 0.1995 0.0852 607 ASP B C 2829 O O . ASP B 106 ? 1.2904 1.4467 1.2134 -0.0959 0.1669 0.0623 607 ASP B O 2830 C CB . ASP B 106 ? 1.5557 1.7981 1.5274 -0.1857 0.2393 0.0627 607 ASP B CB 2831 C CG . ASP B 106 ? 1.7043 1.9550 1.6991 -0.2471 0.2721 0.0642 607 ASP B CG 2832 O OD1 . ASP B 106 ? 1.7455 1.9231 1.7264 -0.2770 0.2793 0.0682 607 ASP B OD1 2833 O OD2 . ASP B 106 ? 1.7182 2.0466 1.7442 -0.2662 0.2923 0.0625 607 ASP B OD2 2834 N N . CYS B 107 ? 1.3330 1.4342 1.1679 -0.0761 0.2003 0.1078 608 CYS B N 2835 C CA . CYS B 107 ? 1.2965 1.3904 1.1066 -0.0270 0.1628 0.1062 608 CYS B CA 2836 C C . CYS B 107 ? 1.3288 1.3294 1.0900 -0.0127 0.1539 0.1392 608 CYS B C 2837 O O . CYS B 107 ? 1.3916 1.3531 1.1080 -0.0177 0.1776 0.1712 608 CYS B O 2838 C CB . CYS B 107 ? 1.3065 1.4488 1.0908 -0.0032 0.1691 0.1045 608 CYS B CB 2839 S SG . CYS B 107 ? 1.2754 1.4039 1.0174 0.0522 0.1256 0.1026 608 CYS B SG 2840 N N . CYS B 108 ? 1.2865 1.2544 1.0585 0.0056 0.1204 0.1344 609 CYS B N 2841 C CA . CYS B 108 ? 1.3131 1.1935 1.0499 0.0194 0.1123 0.1689 609 CYS B CA 2842 C C . CYS B 108 ? 1.4305 1.3034 1.1234 0.0633 0.0801 0.1854 609 CYS B C 2843 O O . CYS B 108 ? 1.3088 1.1534 1.0008 0.0902 0.0455 0.1898 609 CYS B O 2844 C CB . CYS B 108 ? 1.4035 1.2460 1.1740 0.0136 0.0976 0.1580 609 CYS B CB 2845 S SG . CYS B 108 ? 1.4387 1.2855 1.2537 -0.0447 0.1316 0.1353 609 CYS B SG 2846 N N . ILE B 109 ? 1.3396 1.2370 0.9928 0.0681 0.0925 0.1952 610 ILE B N 2847 C CA . ILE B 109 ? 1.3694 1.2574 0.9682 0.1013 0.0665 0.2130 610 ILE B CA 2848 C C . ILE B 109 ? 1.4274 1.2727 0.9711 0.0908 0.0914 0.2588 610 ILE B C 2849 O O . ILE B 109 ? 1.4915 1.3565 1.0263 0.0670 0.1284 0.2604 610 ILE B O 2850 C CB . ILE B 109 ? 1.3706 1.3270 0.9639 0.1180 0.0573 0.1801 610 ILE B CB 2851 C CG1 . ILE B 109 ? 1.2411 1.2372 0.8875 0.1354 0.0257 0.1413 610 ILE B CG1 2852 C CG2 . ILE B 109 ? 1.3572 1.2959 0.8780 0.1417 0.0402 0.2010 610 ILE B CG2 2853 C CD1 . ILE B 109 ? 1.2160 1.2807 0.8676 0.1523 0.0224 0.1086 610 ILE B CD1 2854 N N . GLU B 110 ? 1.5122 1.3022 1.0215 0.1080 0.0709 0.2988 611 GLU B N 2855 C CA . GLU B 110 ? 1.6939 1.4443 1.1528 0.0992 0.0905 0.3495 611 GLU B CA 2856 C C . GLU B 110 ? 1.7493 1.5124 1.1423 0.1188 0.0664 0.3633 611 GLU B C 2857 O O . GLU B 110 ? 1.7168 1.4666 1.0945 0.1449 0.0249 0.3723 611 GLU B O 2858 C CB . GLU B 110 ? 1.6268 1.3062 1.0943 0.1017 0.0893 0.3940 611 GLU B CB 2859 C CG . GLU B 110 ? 1.9903 1.6302 1.4123 0.0936 0.1094 0.4535 611 GLU B CG 2860 C CD . GLU B 110 ? 2.1664 1.7994 1.5974 0.0585 0.1623 0.4592 611 GLU B CD 2861 O OE1 . GLU B 110 ? 2.3254 1.9356 1.8029 0.0405 0.1856 0.4460 611 GLU B OE1 2862 O OE2 . GLU B 110 ? 2.2467 1.8957 1.6357 0.0470 0.1811 0.4761 611 GLU B OE2 2863 N N . PRO B 111 ? 1.7254 1.5129 1.0756 0.1057 0.0905 0.3645 612 PRO B N 2864 C CA . PRO B 111 ? 1.8867 1.6758 1.1620 0.1184 0.0701 0.3816 612 PRO B CA 2865 C C . PRO B 111 ? 1.9333 1.6828 1.1566 0.1048 0.0829 0.4419 612 PRO B C 2866 O O . PRO B 111 ? 2.3767 2.1355 1.5334 0.0988 0.0874 0.4539 612 PRO B O 2867 C CB . PRO B 111 ? 1.8581 1.7013 1.1197 0.1127 0.0920 0.3394 612 PRO B CB 2868 C CG . PRO B 111 ? 1.8820 1.7402 1.1911 0.0850 0.1378 0.3312 612 PRO B CG 2869 C CD . PRO B 111 ? 1.7747 1.6024 1.1461 0.0807 0.1330 0.3375 612 PRO B CD 2870 N N . ALA B 112 ? 2.2805 3.0648 1.7425 0.4724 0.2425 0.3184 613 ALA B N 2871 C CA . ALA B 112 ? 2.1530 2.9017 1.6665 0.4225 0.2350 0.2883 613 ALA B CA 2872 C C . ALA B 112 ? 2.1340 2.8215 1.6867 0.3962 0.2614 0.3273 613 ALA B C 2873 O O . ALA B 112 ? 2.1291 2.7756 1.7245 0.3630 0.2528 0.3178 613 ALA B O 2874 C CB . ALA B 112 ? 2.1595 2.9450 1.6623 0.4283 0.2278 0.2494 613 ALA B CB 2875 N N . ASP B 113 ? 2.1695 2.8534 1.7142 0.4162 0.2947 0.3691 614 ASP B N 2876 C CA . ASP B 113 ? 2.1567 2.7867 1.7604 0.3956 0.3208 0.4028 614 ASP B CA 2877 C C . ASP B 113 ? 2.1501 2.7528 1.7852 0.3922 0.3208 0.4253 614 ASP B C 2878 O O . ASP B 113 ? 2.1188 2.6785 1.8171 0.3653 0.3197 0.4231 614 ASP B O 2879 C CB . ASP B 113 ? 2.2096 2.8433 1.8114 0.4237 0.3649 0.4493 614 ASP B CB 2880 C CG . ASP B 113 ? 2.1863 2.7681 1.8738 0.3973 0.3905 0.4686 614 ASP B CG 2881 O OD1 . ASP B 113 ? 2.2325 2.7786 1.9817 0.3786 0.3874 0.4725 614 ASP B OD1 2882 O OD2 . ASP B 113 ? 2.1968 2.7767 1.8957 0.3977 0.4121 0.4754 614 ASP B OD2 2883 N N . TRP B 114 ? 2.1889 2.8203 1.7814 0.4230 0.3186 0.4416 615 TRP B N 2884 C CA . TRP B 114 ? 2.1911 2.7984 1.8122 0.4215 0.3195 0.4644 615 TRP B CA 2885 C C . TRP B 114 ? 2.1331 2.7162 1.7818 0.3856 0.2836 0.4242 615 TRP B C 2886 O O . TRP B 114 ? 2.1069 2.6568 1.8023 0.3745 0.2830 0.4349 615 TRP B O 2887 C CB . TRP B 114 ? 2.2824 2.9305 1.8431 0.4659 0.3220 0.4866 615 TRP B CB 2888 C CG . TRP B 114 ? 2.3371 2.9605 1.9278 0.4667 0.3279 0.5156 615 TRP B CG 2889 C CD1 . TRP B 114 ? 2.3009 2.9394 1.8649 0.4724 0.3015 0.5026 615 TRP B CD1 2890 C CD2 . TRP B 114 ? 2.3293 2.9085 1.9962 0.4607 0.3621 0.5583 615 TRP B CD2 2891 N NE1 . TRP B 114 ? 2.2351 2.8414 1.8434 0.4710 0.3169 0.5375 615 TRP B NE1 2892 C CE2 . TRP B 114 ? 2.2544 2.8245 1.9321 0.4637 0.3539 0.5699 615 TRP B CE2 2893 C CE3 . TRP B 114 ? 2.3342 2.8817 2.0741 0.4531 0.3995 0.5845 615 TRP B CE3 2894 C CZ2 . TRP B 114 ? 2.2307 2.7623 1.9921 0.4597 0.3808 0.6047 615 TRP B CZ2 2895 C CZ3 . TRP B 114 ? 2.2878 2.7975 2.1206 0.4488 0.4269 0.6166 615 TRP B CZ3 2896 C CH2 . TRP B 114 ? 2.2433 2.7458 2.0875 0.4522 0.4172 0.6256 615 TRP B CH2 2897 N N . THR B 115 ? 2.2538 2.8540 1.8802 0.3717 0.2565 0.3785 616 THR B N 2898 C CA . THR B 115 ? 2.3273 2.9019 1.9806 0.3450 0.2327 0.3481 616 THR B CA 2899 C C . THR B 115 ? 2.2164 2.7511 1.9173 0.3241 0.2374 0.3421 616 THR B C 2900 O O . THR B 115 ? 2.1653 2.6703 1.9005 0.3173 0.2282 0.3397 616 THR B O 2901 C CB . THR B 115 ? 2.4140 3.0161 2.0489 0.3393 0.2127 0.3056 616 THR B CB 2902 O OG1 . THR B 115 ? 2.5288 3.1627 2.1432 0.3472 0.2189 0.2925 616 THR B OG1 2903 C CG2 . THR B 115 ? 2.3706 3.0018 1.9855 0.3542 0.1962 0.2974 616 THR B CG2 2904 N N . LYS B 116 ? 2.1062 2.6439 1.8096 0.3183 0.2490 0.3354 617 LYS B N 2905 C CA . LYS B 116 ? 2.0359 2.5410 1.7850 0.3022 0.2508 0.3239 617 LYS B CA 2906 C C . LYS B 116 ? 2.1861 2.6651 1.9967 0.3049 0.2647 0.3474 617 LYS B C 2907 O O . LYS B 116 ? 2.1435 2.5977 2.0060 0.2963 0.2570 0.3278 617 LYS B O 2908 C CB . LYS B 116 ? 2.0102 2.5256 1.7507 0.2960 0.2622 0.3136 617 LYS B CB 2909 C CG . LYS B 116 ? 2.0526 2.5435 1.8219 0.2805 0.2537 0.2853 617 LYS B CG 2910 C CD . LYS B 116 ? 2.0443 2.5371 1.7912 0.2768 0.2362 0.2576 617 LYS B CD 2911 C CE . LYS B 116 ? 1.9908 2.4571 1.7598 0.2762 0.2283 0.2368 617 LYS B CE 2912 N NZ . LYS B 116 ? 1.9403 2.3879 1.7267 0.2895 0.2126 0.2352 617 LYS B NZ 2913 N N . ASN B 117 ? 2.3918 2.8782 2.2057 0.3211 0.2862 0.3866 618 ASN B N 2914 C CA . ASN B 117 ? 2.3953 2.8549 2.2892 0.3234 0.3022 0.4082 618 ASN B CA 2915 C C . ASN B 117 ? 2.2775 2.7232 2.1904 0.3211 0.2746 0.3920 618 ASN B C 2916 O O . ASN B 117 ? 2.2637 2.6858 2.2579 0.3175 0.2698 0.3799 618 ASN B O 2917 C CB . ASN B 117 ? 2.5328 3.0029 2.4277 0.3481 0.3439 0.4643 618 ASN B CB 2918 C CG . ASN B 117 ? 2.8759 3.3151 2.8839 0.3490 0.3744 0.4902 618 ASN B CG 2919 O OD1 . ASN B 117 ? 2.6756 3.1050 2.7194 0.3565 0.3786 0.5081 618 ASN B OD1 2920 N ND2 . ASN B 117 ? 3.5895 4.0136 3.6662 0.3409 0.3969 0.4898 618 ASN B ND2 2921 N N . ILE B 118 ? 2.1706 2.6334 2.0174 0.3257 0.2553 0.3869 619 ILE B N 2922 C CA . ILE B 118 ? 2.1637 2.6151 2.0193 0.3269 0.2307 0.3746 619 ILE B CA 2923 C C . ILE B 118 ? 2.2674 2.7117 2.1062 0.3209 0.2023 0.3336 619 ILE B C 2924 O O . ILE B 118 ? 2.0884 2.5165 1.9558 0.3270 0.1828 0.3153 619 ILE B O 2925 C CB . ILE B 118 ? 2.0317 2.5050 1.8339 0.3395 0.2302 0.3965 619 ILE B CB 2926 C CG1 . ILE B 118 ? 2.0722 2.5551 1.8816 0.3578 0.2648 0.4441 619 ILE B CG1 2927 C CG2 . ILE B 118 ? 2.0170 2.4774 1.8300 0.3412 0.2075 0.3877 619 ILE B CG2 2928 C CD1 . ILE B 118 ? 2.0801 2.5331 1.9827 0.3584 0.2849 0.4658 619 ILE B CD1 2929 N N . THR B 119 ? 2.4975 2.9554 2.2927 0.3147 0.2019 0.3192 620 THR B N 2930 C CA . THR B 119 ? 2.4543 2.9034 2.2372 0.3153 0.1861 0.2893 620 THR B CA 2931 C C . THR B 119 ? 2.4687 2.9010 2.2883 0.3165 0.1825 0.2677 620 THR B C 2932 O O . THR B 119 ? 2.5590 2.9837 2.3673 0.3284 0.1706 0.2453 620 THR B O 2933 C CB . THR B 119 ? 2.3625 2.8317 2.1049 0.3087 0.1913 0.2804 620 THR B CB 2934 O OG1 . THR B 119 ? 2.2986 2.7583 2.0325 0.3163 0.1839 0.2653 620 THR B OG1 2935 C CG2 . THR B 119 ? 2.3408 2.8148 2.0858 0.2988 0.2033 0.2714 620 THR B CG2 2936 N N . ASP B 120 ? 2.1763 3.3784 2.4798 0.0227 0.0500 -0.1696 621 ASP B N 2937 C CA . ASP B 120 ? 2.0756 3.2615 2.4262 0.0075 0.0093 -0.1453 621 ASP B CA 2938 C C . ASP B 120 ? 2.0813 3.2004 2.3903 -0.0326 -0.0069 -0.1085 621 ASP B C 2939 O O . ASP B 120 ? 2.2055 3.2645 2.5196 -0.0534 -0.0474 -0.0914 621 ASP B O 2940 C CB . ASP B 120 ? 1.9759 3.2840 2.4271 0.0273 0.0185 -0.1375 621 ASP B CB 2941 C CG . ASP B 120 ? 2.0058 3.3037 2.5109 0.0119 -0.0225 -0.1122 621 ASP B CG 2942 O OD1 . ASP B 120 ? 2.0577 3.2942 2.5681 0.0125 -0.0616 -0.1233 621 ASP B OD1 2943 O OD2 . ASP B 120 ? 1.9942 3.3447 2.5359 -0.0014 -0.0168 -0.0810 621 ASP B OD2 2944 N N . LYS B 121 ? 1.9618 3.0893 2.2303 -0.0437 0.0227 -0.0966 622 LYS B N 2945 C CA . LYS B 121 ? 1.9173 2.9801 2.1419 -0.0810 0.0101 -0.0653 622 LYS B CA 2946 C C . LYS B 121 ? 1.9973 2.9450 2.1293 -0.1013 0.0016 -0.0812 622 LYS B C 2947 O O . LYS B 121 ? 1.9955 2.8946 2.0812 -0.1293 0.0015 -0.0636 622 LYS B O 2948 C CB . LYS B 121 ? 1.8022 2.9334 2.0354 -0.0841 0.0424 -0.0431 622 LYS B CB 2949 C CG . LYS B 121 ? 1.7508 2.9721 2.0655 -0.0830 0.0404 -0.0135 622 LYS B CG 2950 C CD . LYS B 121 ? 1.7322 3.0279 2.0536 -0.0844 0.0745 0.0054 622 LYS B CD 2951 C CE . LYS B 121 ? 1.7498 2.9732 1.9995 -0.1116 0.0758 0.0208 622 LYS B CE 2952 N NZ . LYS B 121 ? 1.7664 2.9107 2.0019 -0.1451 0.0384 0.0485 622 LYS B NZ 2953 N N . ILE B 122 ? 2.0353 2.9399 2.1397 -0.0888 -0.0052 -0.1155 623 ILE B N 2954 C CA . ILE B 122 ? 2.0303 2.8168 2.0499 -0.1150 -0.0226 -0.1288 623 ILE B CA 2955 C C . ILE B 122 ? 2.0340 2.7465 2.0479 -0.1502 -0.0667 -0.1008 623 ILE B C 2956 O O . ILE B 122 ? 1.9656 2.5989 1.9177 -0.1841 -0.0757 -0.0923 623 ILE B O 2957 C CB . ILE B 122 ? 2.0373 2.7935 2.0322 -0.0961 -0.0253 -0.1693 623 ILE B CB 2958 C CG1 . ILE B 122 ? 2.0132 2.7940 2.0752 -0.0783 -0.0554 -0.1707 623 ILE B CG1 2959 C CG2 . ILE B 122 ? 2.0112 2.8307 1.9998 -0.0648 0.0203 -0.1979 623 ILE B CG2 2960 C CD1 . ILE B 122 ? 1.9493 2.6601 1.9767 -0.0746 -0.0787 -0.2013 623 ILE B CD1 2961 N N . ASP B 123 ? 2.1764 2.9165 2.2573 -0.1429 -0.0948 -0.0868 624 ASP B N 2962 C CA . ASP B 123 ? 2.3317 3.0108 2.4186 -0.1733 -0.1390 -0.0584 624 ASP B CA 2963 C C . ASP B 123 ? 2.3953 3.1285 2.5304 -0.1841 -0.1364 -0.0185 624 ASP B C 2964 O O . ASP B 123 ? 2.3813 3.1186 2.5661 -0.1921 -0.1675 0.0050 624 ASP B O 2965 C CB . ASP B 123 ? 2.3681 3.0394 2.5004 -0.1597 -0.1754 -0.0678 624 ASP B CB 2966 C CG . ASP B 123 ? 2.3221 3.1105 2.5423 -0.1169 -0.1575 -0.0800 624 ASP B CG 2967 O OD1 . ASP B 123 ? 2.3091 3.1521 2.6069 -0.1111 -0.1737 -0.0605 624 ASP B OD1 2968 O OD2 . ASP B 123 ? 2.2800 3.1077 2.4926 -0.0895 -0.1264 -0.1106 624 ASP B OD2 2969 N N . GLN B 124 ? 2.4492 3.2252 2.5714 -0.1842 -0.1005 -0.0105 625 GLN B N 2970 C CA . GLN B 124 ? 2.4375 3.2463 2.5867 -0.2019 -0.0993 0.0288 625 GLN B CA 2971 C C . GLN B 124 ? 2.4411 3.1596 2.5209 -0.2408 -0.1094 0.0438 625 GLN B C 2972 O O . GLN B 124 ? 2.4114 3.1327 2.5086 -0.2621 -0.1204 0.0789 625 GLN B O 2973 C CB . GLN B 124 ? 2.3727 3.2891 2.5559 -0.1796 -0.0565 0.0320 625 GLN B CB 2974 C CG . GLN B 124 ? 2.3490 3.3199 2.5772 -0.1934 -0.0561 0.0735 625 GLN B CG 2975 C CD . GLN B 124 ? 2.3154 3.3552 2.6310 -0.1820 -0.0721 0.0872 625 GLN B CD 2976 O OE1 . GLN B 124 ? 2.2742 3.3688 2.6341 -0.1523 -0.0658 0.0631 625 GLN B OE1 2977 N NE2 . GLN B 124 ? 2.3211 3.3596 2.6643 -0.2055 -0.0931 0.1244 625 GLN B NE2 2978 N N . ILE B 125 ? 2.4792 3.1192 2.4822 -0.2512 -0.1061 0.0165 626 ILE B N 2979 C CA . ILE B 125 ? 2.4903 3.0450 2.4257 -0.2885 -0.1137 0.0238 626 ILE B CA 2980 C C . ILE B 125 ? 2.5507 3.0008 2.4154 -0.3071 -0.1329 -0.0041 626 ILE B C 2981 O O . ILE B 125 ? 2.5616 2.9265 2.3797 -0.3447 -0.1561 0.0049 626 ILE B O 2982 C CB . ILE B 125 ? 2.3495 2.9357 2.2607 -0.2846 -0.0760 0.0196 626 ILE B CB 2983 C CG1 . ILE B 125 ? 2.1798 2.8343 2.1442 -0.2869 -0.0709 0.0596 626 ILE B CG1 2984 C CG2 . ILE B 125 ? 2.3642 2.8565 2.1941 -0.3159 -0.0779 0.0057 626 ILE B CG2 2985 C CD1 . ILE B 125 ? 2.0511 2.7398 1.9988 -0.2832 -0.0389 0.0602 626 ILE B CD1 2986 N N . ILE B 126 ? 2.5296 2.9844 2.3857 -0.2829 -0.1249 -0.0380 627 ILE B N 2987 C CA . ILE B 126 ? 2.4811 2.8358 2.2683 -0.3028 -0.1453 -0.0639 627 ILE B CA 2988 C C . ILE B 126 ? 2.5258 2.8299 2.3297 -0.3184 -0.1937 -0.0489 627 ILE B C 2989 O O . ILE B 126 ? 2.5191 2.7245 2.2599 -0.3488 -0.2192 -0.0593 627 ILE B O 2990 C CB . ILE B 126 ? 2.3246 2.6925 2.0896 -0.2743 -0.1223 -0.1062 627 ILE B CB 2991 C CG1 . ILE B 126 ? 2.2203 2.4877 1.8897 -0.3027 -0.1243 -0.1356 627 ILE B CG1 2992 C CG2 . ILE B 126 ? 2.3337 2.7225 2.1458 -0.2499 -0.1440 -0.1138 627 ILE B CG2 2993 C CD1 . ILE B 126 ? 2.1375 2.4025 1.7783 -0.2797 -0.1085 -0.1774 627 ILE B CD1 2994 N N . HIS B 127 ? 2.6100 2.9775 2.4961 -0.3004 -0.2082 -0.0257 628 HIS B N 2995 C CA . HIS B 127 ? 2.7185 3.0389 2.6257 -0.3135 -0.2569 -0.0120 628 HIS B CA 2996 C C . HIS B 127 ? 2.7984 3.1042 2.7290 -0.3417 -0.2817 0.0298 628 HIS B C 2997 O O . HIS B 127 ? 2.9652 3.1888 2.8719 -0.3715 -0.3230 0.0410 628 HIS B O 2998 C CB . HIS B 127 ? 2.6854 3.0774 2.6716 -0.2737 -0.2641 -0.0207 628 HIS B CB 2999 C CG . HIS B 127 ? 2.7839 3.1196 2.7882 -0.2845 -0.3173 -0.0134 628 HIS B CG 3000 N ND1 . HIS B 127 ? 2.8622 3.0837 2.7939 -0.3135 -0.3493 -0.0250 628 HIS B ND1 3001 C CD2 . HIS B 127 ? 2.7920 3.1685 2.8783 -0.2719 -0.3456 0.0039 628 HIS B CD2 3002 C CE1 . HIS B 127 ? 2.8855 3.0768 2.8525 -0.3178 -0.3970 -0.0136 628 HIS B CE1 3003 N NE2 . HIS B 127 ? 2.8431 3.1277 2.9061 -0.2917 -0.3958 0.0031 628 HIS B NE2 3004 N N . ASP B 128 ? 2.6316 3.0131 2.6069 -0.3347 -0.2592 0.0540 629 ASP B N 3005 C CA . ASP B 128 ? 2.5911 2.9519 2.5787 -0.3651 -0.2805 0.0934 629 ASP B CA 3006 C C . ASP B 128 ? 2.6771 2.9707 2.5878 -0.3999 -0.2707 0.0954 629 ASP B C 3007 O O . ASP B 128 ? 2.6527 2.9720 2.5722 -0.4105 -0.2576 0.1188 629 ASP B O 3008 C CB . ASP B 128 ? 2.4817 2.9518 2.5547 -0.3449 -0.2659 0.1205 629 ASP B CB 3009 C CG . ASP B 128 ? 2.4159 2.9538 2.4862 -0.3309 -0.2191 0.1181 629 ASP B CG 3010 O OD1 . ASP B 128 ? 2.3871 2.9914 2.5047 -0.3298 -0.2090 0.1471 629 ASP B OD1 3011 O OD2 . ASP B 128 ? 2.4010 2.9231 2.4204 -0.3226 -0.1939 0.0877 629 ASP B OD2 3012 N N . PHE B 129 ? 2.7818 2.9871 2.6158 -0.4186 -0.2782 0.0679 630 PHE B N 3013 C CA . PHE B 129 ? 2.7187 2.8514 2.4737 -0.4535 -0.2704 0.0598 630 PHE B CA 3014 C C . PHE B 129 ? 2.5907 2.6239 2.3076 -0.4990 -0.3134 0.0761 630 PHE B C 3015 O O . PHE B 129 ? 2.6058 2.5504 2.2498 -0.5263 -0.3261 0.0541 630 PHE B O 3016 C CB . PHE B 129 ? 2.6747 2.7809 2.3676 -0.4458 -0.2459 0.0148 630 PHE B CB 3017 C CG . PHE B 129 ? 2.5962 2.6590 2.2219 -0.4709 -0.2247 -0.0002 630 PHE B CG 3018 C CD1 . PHE B 129 ? 2.4808 2.6068 2.1227 -0.4545 -0.1886 0.0006 630 PHE B CD1 3019 C CD2 . PHE B 129 ? 2.5558 2.5153 2.1024 -0.5116 -0.2414 -0.0174 630 PHE B CD2 3020 C CE1 . PHE B 129 ? 2.4504 2.5372 2.0357 -0.4760 -0.1711 -0.0161 630 PHE B CE1 3021 C CE2 . PHE B 129 ? 2.5019 2.4253 1.9911 -0.5346 -0.2214 -0.0357 630 PHE B CE2 3022 C CZ . PHE B 129 ? 2.4839 2.4711 1.9948 -0.5155 -0.1868 -0.0357 630 PHE B CZ 3023 N N . VAL B 130 ? 2.3911 2.4409 2.1581 -0.5084 -0.3361 0.1151 631 VAL B N 3024 C CA . VAL B 130 ? 2.3765 2.3400 2.1186 -0.5493 -0.3799 0.1353 631 VAL B CA 3025 C C . VAL B 130 ? 2.3715 2.2625 2.0402 -0.5919 -0.3758 0.1327 631 VAL B C 3026 O O . VAL B 130 ? 2.3366 2.2558 2.0192 -0.5985 -0.3611 0.1518 631 VAL B O 3027 C CB . VAL B 130 ? 2.3480 2.3559 2.1683 -0.5461 -0.4030 0.1776 631 VAL B CB 3028 C CG1 . VAL B 130 ? 2.3582 2.2742 2.1528 -0.5877 -0.4509 0.1979 631 VAL B CG1 3029 C CG2 . VAL B 130 ? 2.2934 2.3830 2.1930 -0.5028 -0.4039 0.1757 631 VAL B CG2 #