data_ma-t3vr3-355 _entry.id ma-t3vr3-355 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-355 _struct.pdbx_model_details ;Predicted interaction between HLA class I histocompatibility antigen, alpha chain E (residue 1 - 358) and Beta-2-microglobulin [Cleaved into: Beta-2-microglobulin form pI 5.3] (residue 1 - 119). Model generated using AlphaFold2 with a 200 residue separation between the chains starting from a paired Multiple Sequence Alignment(pMSA). ; _struct.pdbx_structure_determination_methodology computational _struct.title 'Predicted interaction between HLA-E (1-358) and B2M (1-119)' _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/ba728c4/archive/mmcif_ma-v1.4.5.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Computed cancer interactome explains the effects of somatic mutations in cancers.' 'Protein Sci' 31 e4479 . 2022 36261849 10.1002/pro.4479 2 'Highly accurate protein structure prediction with AlphaFold.' Nature 596 583 589 2021 34265844 10.1038/s41586-021-03819-2 loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zhang, J.' 1 primary 'Pei, J.' 2 primary 'Durham, J.' 3 primary 'Bos, T.' 4 primary 'Cong, Q.' 5 2 'Jumper, J.' 6 2 'Evans, R.' 7 2 'Pritzel, A.' 8 2 'Green, T.' 9 2 'Figurnov, M.' 10 2 'Ronneberger, O.' 11 2 'Tunyasuvunakool, K.' 12 2 'Bates, R.' 13 2 'Zidek, A.' 14 2 'Potapenko, A.' 15 2 'Bridgland, A.' 16 2 'Meyer, C.' 17 2 'Kohl, S.A.A.' 18 2 'Ballard, A.J.' 19 2 'Cowie, A.' 20 2 'Romera-Paredes, B.' 21 2 'Nikolov, S.' 22 2 'Jain, R.' 23 2 'Adler, J.' 24 2 'Back, T.' 25 2 'Petersen, S.' 26 2 'Reiman, D.' 27 2 'Clancy, E.' 28 2 'Zielinski, M.' 29 2 'Steinegger, M.' 30 2 'Pacholska, M.' 31 2 'Berghammer, T.' 32 2 'Bodenstein, S.' 33 2 'Silver, D.' 34 2 'Vinyals, O.' 35 2 'Senior, A.W.' 36 2 'Kavukcuoglu, K.' 37 2 'Kohli, P.' 38 2 'Hassabis, D.' 39 loop_ _software.pdbx_ordinal _software.name _software.classification _software.description _software.version _software.type _software.location _software.citation_id 1 AlphaFold 'model building' 'Structure prediction' 2.0.0 package https://github.com/deepmind/alphafold 2 loop_ _ma_software_group.ordinal_id _ma_software_group.group_id _ma_software_group.software_id _ma_software_group.parameter_group_id 1 1 1 . loop_ _audit_author.name _audit_author.pdbx_ordinal 'Zhang, J.' 1 'Pei, J.' 2 'Durham, J.' 3 'Bos, T.' 4 'Cong, Q.' 5 loop_ _chem_comp.id _chem_comp.type _chem_comp.name _chem_comp.formula _chem_comp.formula_weight _chem_comp.ma_provenance ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core' ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core' ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core' ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core' CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 'CCD Core' GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core' GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core' GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core' HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core' ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core' MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core' PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core' PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core' SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core' THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core' TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core' TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core' VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core' loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.details 1 polymer nat 'Homo sapiens (Human) HLA-E (P13747; 1 - 358)' 46538.409 1 . 2 polymer nat 'Homo sapiens (Human) B2M (P61769; 1 - 119)' 15858.511 1 . loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.pdbx_organism_scientific _entity_src_nat.common_name _entity_src_nat.strain 1 1 9606 'Homo sapiens (Human)' . . 2 2 9606 'Homo sapiens (Human)' . . loop_ _ma_target_ref_db_details.target_entity_id _ma_target_ref_db_details.db_name _ma_target_ref_db_details.db_name_other_details _ma_target_ref_db_details.db_code _ma_target_ref_db_details.db_accession _ma_target_ref_db_details.seq_db_isoform _ma_target_ref_db_details.seq_db_align_begin _ma_target_ref_db_details.seq_db_align_end _ma_target_ref_db_details.ncbi_taxonomy_id _ma_target_ref_db_details.organism_scientific _ma_target_ref_db_details.seq_db_sequence_version_date _ma_target_ref_db_details.seq_db_sequence_checksum 1 UNP . HLAE_HUMAN P13747 . 1 358 9606 'Homo sapiens (Human)' 2018-12-05 6B3001CA9F3B7FE3 2 UNP . B2MG_HUMAN P61769 . 1 119 9606 'Homo sapiens (Human)' 1986-07-21 AFD2DBEF07DCEF27 loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can 1 polypeptide(L) no no A ;MVDGTLLLLLSEALALTQTWAGSHSLKYFHTSVSRPGRGEPRFISVGYVDDTQFVRFDNDAASPRMVPRA PWMEQEGSEYWDRETRSARDTAQIFRVNLRTLRGYYNQSEAGSHTLQWMHGCELGPDGRFLRGYEQFAYD GKDYLTLNEDLRSWTAVDTAAQISEQKSNDASEAEHQRAYLEDTCVEWLHKYLEKGKETLLHLEPPKTHV THHPISDHEATLRCWALGFYPAEITLTWQQDGEGHTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTC HVQHEGLPEPVTLRWKPASQPTIPIVGIIAGLVLLGSVVSGAVVAAVIWRKKSSGGKGGSYSKAEWSDSA QGSESHSL ; ;MVDGTLLLLLSEALALTQTWAGSHSLKYFHTSVSRPGRGEPRFISVGYVDDTQFVRFDNDAASPRMVPRA PWMEQEGSEYWDRETRSARDTAQIFRVNLRTLRGYYNQSEAGSHTLQWMHGCELGPDGRFLRGYEQFAYD GKDYLTLNEDLRSWTAVDTAAQISEQKSNDASEAEHQRAYLEDTCVEWLHKYLEKGKETLLHLEPPKTHV THHPISDHEATLRCWALGFYPAEITLTWQQDGEGHTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTC HVQHEGLPEPVTLRWKPASQPTIPIVGIIAGLVLLGSVVSGAVVAAVIWRKKSSGGKGGSYSKAEWSDSA QGSESHSL ; 2 polypeptide(L) no no B ;MSRSVALAVLALLSLSGLEAIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVE HSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM ; ;MSRSVALAVLALLSLSGLEAIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVE HSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 VAL . 1 3 ASP . 1 4 GLY . 1 5 THR . 1 6 LEU . 1 7 LEU . 1 8 LEU . 1 9 LEU . 1 10 LEU . 1 11 SER . 1 12 GLU . 1 13 ALA . 1 14 LEU . 1 15 ALA . 1 16 LEU . 1 17 THR . 1 18 GLN . 1 19 THR . 1 20 TRP . 1 21 ALA . 1 22 GLY . 1 23 SER . 1 24 HIS . 1 25 SER . 1 26 LEU . 1 27 LYS . 1 28 TYR . 1 29 PHE . 1 30 HIS . 1 31 THR . 1 32 SER . 1 33 VAL . 1 34 SER . 1 35 ARG . 1 36 PRO . 1 37 GLY . 1 38 ARG . 1 39 GLY . 1 40 GLU . 1 41 PRO . 1 42 ARG . 1 43 PHE . 1 44 ILE . 1 45 SER . 1 46 VAL . 1 47 GLY . 1 48 TYR . 1 49 VAL . 1 50 ASP . 1 51 ASP . 1 52 THR . 1 53 GLN . 1 54 PHE . 1 55 VAL . 1 56 ARG . 1 57 PHE . 1 58 ASP . 1 59 ASN . 1 60 ASP . 1 61 ALA . 1 62 ALA . 1 63 SER . 1 64 PRO . 1 65 ARG . 1 66 MET . 1 67 VAL . 1 68 PRO . 1 69 ARG . 1 70 ALA . 1 71 PRO . 1 72 TRP . 1 73 MET . 1 74 GLU . 1 75 GLN . 1 76 GLU . 1 77 GLY . 1 78 SER . 1 79 GLU . 1 80 TYR . 1 81 TRP . 1 82 ASP . 1 83 ARG . 1 84 GLU . 1 85 THR . 1 86 ARG . 1 87 SER . 1 88 ALA . 1 89 ARG . 1 90 ASP . 1 91 THR . 1 92 ALA . 1 93 GLN . 1 94 ILE . 1 95 PHE . 1 96 ARG . 1 97 VAL . 1 98 ASN . 1 99 LEU . 1 100 ARG . 1 101 THR . 1 102 LEU . 1 103 ARG . 1 104 GLY . 1 105 TYR . 1 106 TYR . 1 107 ASN . 1 108 GLN . 1 109 SER . 1 110 GLU . 1 111 ALA . 1 112 GLY . 1 113 SER . 1 114 HIS . 1 115 THR . 1 116 LEU . 1 117 GLN . 1 118 TRP . 1 119 MET . 1 120 HIS . 1 121 GLY . 1 122 CYS . 1 123 GLU . 1 124 LEU . 1 125 GLY . 1 126 PRO . 1 127 ASP . 1 128 GLY . 1 129 ARG . 1 130 PHE . 1 131 LEU . 1 132 ARG . 1 133 GLY . 1 134 TYR . 1 135 GLU . 1 136 GLN . 1 137 PHE . 1 138 ALA . 1 139 TYR . 1 140 ASP . 1 141 GLY . 1 142 LYS . 1 143 ASP . 1 144 TYR . 1 145 LEU . 1 146 THR . 1 147 LEU . 1 148 ASN . 1 149 GLU . 1 150 ASP . 1 151 LEU . 1 152 ARG . 1 153 SER . 1 154 TRP . 1 155 THR . 1 156 ALA . 1 157 VAL . 1 158 ASP . 1 159 THR . 1 160 ALA . 1 161 ALA . 1 162 GLN . 1 163 ILE . 1 164 SER . 1 165 GLU . 1 166 GLN . 1 167 LYS . 1 168 SER . 1 169 ASN . 1 170 ASP . 1 171 ALA . 1 172 SER . 1 173 GLU . 1 174 ALA . 1 175 GLU . 1 176 HIS . 1 177 GLN . 1 178 ARG . 1 179 ALA . 1 180 TYR . 1 181 LEU . 1 182 GLU . 1 183 ASP . 1 184 THR . 1 185 CYS . 1 186 VAL . 1 187 GLU . 1 188 TRP . 1 189 LEU . 1 190 HIS . 1 191 LYS . 1 192 TYR . 1 193 LEU . 1 194 GLU . 1 195 LYS . 1 196 GLY . 1 197 LYS . 1 198 GLU . 1 199 THR . 1 200 LEU . 1 201 LEU . 1 202 HIS . 1 203 LEU . 1 204 GLU . 1 205 PRO . 1 206 PRO . 1 207 LYS . 1 208 THR . 1 209 HIS . 1 210 VAL . 1 211 THR . 1 212 HIS . 1 213 HIS . 1 214 PRO . 1 215 ILE . 1 216 SER . 1 217 ASP . 1 218 HIS . 1 219 GLU . 1 220 ALA . 1 221 THR . 1 222 LEU . 1 223 ARG . 1 224 CYS . 1 225 TRP . 1 226 ALA . 1 227 LEU . 1 228 GLY . 1 229 PHE . 1 230 TYR . 1 231 PRO . 1 232 ALA . 1 233 GLU . 1 234 ILE . 1 235 THR . 1 236 LEU . 1 237 THR . 1 238 TRP . 1 239 GLN . 1 240 GLN . 1 241 ASP . 1 242 GLY . 1 243 GLU . 1 244 GLY . 1 245 HIS . 1 246 THR . 1 247 GLN . 1 248 ASP . 1 249 THR . 1 250 GLU . 1 251 LEU . 1 252 VAL . 1 253 GLU . 1 254 THR . 1 255 ARG . 1 256 PRO . 1 257 ALA . 1 258 GLY . 1 259 ASP . 1 260 GLY . 1 261 THR . 1 262 PHE . 1 263 GLN . 1 264 LYS . 1 265 TRP . 1 266 ALA . 1 267 ALA . 1 268 VAL . 1 269 VAL . 1 270 VAL . 1 271 PRO . 1 272 SER . 1 273 GLY . 1 274 GLU . 1 275 GLU . 1 276 GLN . 1 277 ARG . 1 278 TYR . 1 279 THR . 1 280 CYS . 1 281 HIS . 1 282 VAL . 1 283 GLN . 1 284 HIS . 1 285 GLU . 1 286 GLY . 1 287 LEU . 1 288 PRO . 1 289 GLU . 1 290 PRO . 1 291 VAL . 1 292 THR . 1 293 LEU . 1 294 ARG . 1 295 TRP . 1 296 LYS . 1 297 PRO . 1 298 ALA . 1 299 SER . 1 300 GLN . 1 301 PRO . 1 302 THR . 1 303 ILE . 1 304 PRO . 1 305 ILE . 1 306 VAL . 1 307 GLY . 1 308 ILE . 1 309 ILE . 1 310 ALA . 1 311 GLY . 1 312 LEU . 1 313 VAL . 1 314 LEU . 1 315 LEU . 1 316 GLY . 1 317 SER . 1 318 VAL . 1 319 VAL . 1 320 SER . 1 321 GLY . 1 322 ALA . 1 323 VAL . 1 324 VAL . 1 325 ALA . 1 326 ALA . 1 327 VAL . 1 328 ILE . 1 329 TRP . 1 330 ARG . 1 331 LYS . 1 332 LYS . 1 333 SER . 1 334 SER . 1 335 GLY . 1 336 GLY . 1 337 LYS . 1 338 GLY . 1 339 GLY . 1 340 SER . 1 341 TYR . 1 342 SER . 1 343 LYS . 1 344 ALA . 1 345 GLU . 1 346 TRP . 1 347 SER . 1 348 ASP . 1 349 SER . 1 350 ALA . 1 351 GLN . 1 352 GLY . 1 353 SER . 1 354 GLU . 1 355 SER . 1 356 HIS . 1 357 SER . 1 358 LEU . 2 1 MET . 2 2 SER . 2 3 ARG . 2 4 SER . 2 5 VAL . 2 6 ALA . 2 7 LEU . 2 8 ALA . 2 9 VAL . 2 10 LEU . 2 11 ALA . 2 12 LEU . 2 13 LEU . 2 14 SER . 2 15 LEU . 2 16 SER . 2 17 GLY . 2 18 LEU . 2 19 GLU . 2 20 ALA . 2 21 ILE . 2 22 GLN . 2 23 ARG . 2 24 THR . 2 25 PRO . 2 26 LYS . 2 27 ILE . 2 28 GLN . 2 29 VAL . 2 30 TYR . 2 31 SER . 2 32 ARG . 2 33 HIS . 2 34 PRO . 2 35 ALA . 2 36 GLU . 2 37 ASN . 2 38 GLY . 2 39 LYS . 2 40 SER . 2 41 ASN . 2 42 PHE . 2 43 LEU . 2 44 ASN . 2 45 CYS . 2 46 TYR . 2 47 VAL . 2 48 SER . 2 49 GLY . 2 50 PHE . 2 51 HIS . 2 52 PRO . 2 53 SER . 2 54 ASP . 2 55 ILE . 2 56 GLU . 2 57 VAL . 2 58 ASP . 2 59 LEU . 2 60 LEU . 2 61 LYS . 2 62 ASN . 2 63 GLY . 2 64 GLU . 2 65 ARG . 2 66 ILE . 2 67 GLU . 2 68 LYS . 2 69 VAL . 2 70 GLU . 2 71 HIS . 2 72 SER . 2 73 ASP . 2 74 LEU . 2 75 SER . 2 76 PHE . 2 77 SER . 2 78 LYS . 2 79 ASP . 2 80 TRP . 2 81 SER . 2 82 PHE . 2 83 TYR . 2 84 LEU . 2 85 LEU . 2 86 TYR . 2 87 TYR . 2 88 THR . 2 89 GLU . 2 90 PHE . 2 91 THR . 2 92 PRO . 2 93 THR . 2 94 GLU . 2 95 LYS . 2 96 ASP . 2 97 GLU . 2 98 TYR . 2 99 ALA . 2 100 CYS . 2 101 ARG . 2 102 VAL . 2 103 ASN . 2 104 HIS . 2 105 VAL . 2 106 THR . 2 107 LEU . 2 108 SER . 2 109 GLN . 2 110 PRO . 2 111 LYS . 2 112 ILE . 2 113 VAL . 2 114 LYS . 2 115 TRP . 2 116 ASP . 2 117 ARG . 2 118 ASP . 2 119 MET . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 . B 2 . 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.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 A 1 1 MET 1 1 MET MET A . A 1 2 VAL 2 2 VAL VAL A . A 1 3 ASP 3 3 ASP ASP A . A 1 4 GLY 4 4 GLY GLY A . A 1 5 THR 5 5 THR THR A . A 1 6 LEU 6 6 LEU LEU A . A 1 7 LEU 7 7 LEU LEU A . A 1 8 LEU 8 8 LEU LEU A . A 1 9 LEU 9 9 LEU LEU A . A 1 10 LEU 10 10 LEU LEU A . A 1 11 SER 11 11 SER SER A . A 1 12 GLU 12 12 GLU GLU A . A 1 13 ALA 13 13 ALA ALA A . A 1 14 LEU 14 14 LEU LEU A . A 1 15 ALA 15 15 ALA ALA A . A 1 16 LEU 16 16 LEU LEU A . A 1 17 THR 17 17 THR THR A . A 1 18 GLN 18 18 GLN GLN A . A 1 19 THR 19 19 THR THR A . A 1 20 TRP 20 20 TRP TRP A . A 1 21 ALA 21 21 ALA ALA A . A 1 22 GLY 22 22 GLY GLY A . A 1 23 SER 23 23 SER SER A . A 1 24 HIS 24 24 HIS HIS A . A 1 25 SER 25 25 SER SER A . A 1 26 LEU 26 26 LEU LEU A . A 1 27 LYS 27 27 LYS LYS A . A 1 28 TYR 28 28 TYR TYR A . A 1 29 PHE 29 29 PHE PHE A . A 1 30 HIS 30 30 HIS HIS A . A 1 31 THR 31 31 THR THR A . A 1 32 SER 32 32 SER SER A . A 1 33 VAL 33 33 VAL VAL A . A 1 34 SER 34 34 SER SER A . A 1 35 ARG 35 35 ARG ARG A . A 1 36 PRO 36 36 PRO PRO A . A 1 37 GLY 37 37 GLY GLY A . A 1 38 ARG 38 38 ARG ARG A . A 1 39 GLY 39 39 GLY GLY A . A 1 40 GLU 40 40 GLU GLU A . A 1 41 PRO 41 41 PRO PRO A . A 1 42 ARG 42 42 ARG ARG A . A 1 43 PHE 43 43 PHE PHE A . A 1 44 ILE 44 44 ILE ILE A . A 1 45 SER 45 45 SER SER A . A 1 46 VAL 46 46 VAL VAL A . A 1 47 GLY 47 47 GLY GLY A . A 1 48 TYR 48 48 TYR TYR A . A 1 49 VAL 49 49 VAL VAL A . A 1 50 ASP 50 50 ASP ASP A . A 1 51 ASP 51 51 ASP ASP A . A 1 52 THR 52 52 THR THR A . A 1 53 GLN 53 53 GLN GLN A . A 1 54 PHE 54 54 PHE PHE A . A 1 55 VAL 55 55 VAL VAL A . A 1 56 ARG 56 56 ARG ARG A . A 1 57 PHE 57 57 PHE PHE A . A 1 58 ASP 58 58 ASP ASP A . A 1 59 ASN 59 59 ASN ASN A . A 1 60 ASP 60 60 ASP ASP A . A 1 61 ALA 61 61 ALA ALA A . A 1 62 ALA 62 62 ALA ALA A . A 1 63 SER 63 63 SER SER A . A 1 64 PRO 64 64 PRO PRO A . A 1 65 ARG 65 65 ARG ARG A . A 1 66 MET 66 66 MET MET A . A 1 67 VAL 67 67 VAL VAL A . A 1 68 PRO 68 68 PRO PRO A . A 1 69 ARG 69 69 ARG ARG A . A 1 70 ALA 70 70 ALA ALA A . A 1 71 PRO 71 71 PRO PRO A . A 1 72 TRP 72 72 TRP TRP A . A 1 73 MET 73 73 MET MET A . A 1 74 GLU 74 74 GLU GLU A . A 1 75 GLN 75 75 GLN GLN A . A 1 76 GLU 76 76 GLU GLU A . A 1 77 GLY 77 77 GLY GLY A . A 1 78 SER 78 78 SER SER A . A 1 79 GLU 79 79 GLU GLU A . A 1 80 TYR 80 80 TYR TYR A . A 1 81 TRP 81 81 TRP TRP A . A 1 82 ASP 82 82 ASP ASP A . A 1 83 ARG 83 83 ARG ARG A . A 1 84 GLU 84 84 GLU GLU A . A 1 85 THR 85 85 THR THR A . A 1 86 ARG 86 86 ARG ARG A . A 1 87 SER 87 87 SER SER A . A 1 88 ALA 88 88 ALA ALA A . A 1 89 ARG 89 89 ARG ARG A . A 1 90 ASP 90 90 ASP ASP A . A 1 91 THR 91 91 THR THR A . A 1 92 ALA 92 92 ALA ALA A . A 1 93 GLN 93 93 GLN GLN A . A 1 94 ILE 94 94 ILE ILE A . A 1 95 PHE 95 95 PHE PHE A . A 1 96 ARG 96 96 ARG ARG A . A 1 97 VAL 97 97 VAL VAL A . A 1 98 ASN 98 98 ASN ASN A . A 1 99 LEU 99 99 LEU LEU A . A 1 100 ARG 100 100 ARG ARG A . A 1 101 THR 101 101 THR THR A . A 1 102 LEU 102 102 LEU LEU A . A 1 103 ARG 103 103 ARG ARG A . A 1 104 GLY 104 104 GLY GLY A . A 1 105 TYR 105 105 TYR TYR A . A 1 106 TYR 106 106 TYR TYR A . A 1 107 ASN 107 107 ASN ASN A . A 1 108 GLN 108 108 GLN GLN A . A 1 109 SER 109 109 SER SER A . A 1 110 GLU 110 110 GLU GLU A . A 1 111 ALA 111 111 ALA ALA A . A 1 112 GLY 112 112 GLY GLY A . A 1 113 SER 113 113 SER SER A . A 1 114 HIS 114 114 HIS HIS A . A 1 115 THR 115 115 THR THR A . A 1 116 LEU 116 116 LEU LEU A . A 1 117 GLN 117 117 GLN GLN A . A 1 118 TRP 118 118 TRP TRP A . A 1 119 MET 119 119 MET MET A . A 1 120 HIS 120 120 HIS HIS A . A 1 121 GLY 121 121 GLY GLY A . A 1 122 CYS 122 122 CYS CYS A . A 1 123 GLU 123 123 GLU GLU A . A 1 124 LEU 124 124 LEU LEU A . A 1 125 GLY 125 125 GLY GLY A . A 1 126 PRO 126 126 PRO PRO A . A 1 127 ASP 127 127 ASP ASP A . A 1 128 GLY 128 128 GLY GLY A . A 1 129 ARG 129 129 ARG ARG A . A 1 130 PHE 130 130 PHE PHE A . A 1 131 LEU 131 131 LEU LEU A . A 1 132 ARG 132 132 ARG ARG A . A 1 133 GLY 133 133 GLY GLY A . A 1 134 TYR 134 134 TYR TYR A . A 1 135 GLU 135 135 GLU GLU A . A 1 136 GLN 136 136 GLN GLN A . A 1 137 PHE 137 137 PHE PHE A . A 1 138 ALA 138 138 ALA ALA A . A 1 139 TYR 139 139 TYR TYR A . A 1 140 ASP 140 140 ASP ASP A . A 1 141 GLY 141 141 GLY GLY A . A 1 142 LYS 142 142 LYS LYS A . A 1 143 ASP 143 143 ASP ASP A . A 1 144 TYR 144 144 TYR TYR A . A 1 145 LEU 145 145 LEU LEU A . A 1 146 THR 146 146 THR THR A . A 1 147 LEU 147 147 LEU LEU A . A 1 148 ASN 148 148 ASN ASN A . A 1 149 GLU 149 149 GLU GLU A . A 1 150 ASP 150 150 ASP ASP A . A 1 151 LEU 151 151 LEU LEU A . A 1 152 ARG 152 152 ARG ARG A . A 1 153 SER 153 153 SER SER A . A 1 154 TRP 154 154 TRP TRP A . A 1 155 THR 155 155 THR THR A . A 1 156 ALA 156 156 ALA ALA A . A 1 157 VAL 157 157 VAL VAL A . A 1 158 ASP 158 158 ASP ASP A . A 1 159 THR 159 159 THR THR A . A 1 160 ALA 160 160 ALA ALA A . A 1 161 ALA 161 161 ALA ALA A . A 1 162 GLN 162 162 GLN GLN A . A 1 163 ILE 163 163 ILE ILE A . A 1 164 SER 164 164 SER SER A . A 1 165 GLU 165 165 GLU GLU A . A 1 166 GLN 166 166 GLN GLN A . A 1 167 LYS 167 167 LYS LYS A . A 1 168 SER 168 168 SER SER A . A 1 169 ASN 169 169 ASN ASN A . A 1 170 ASP 170 170 ASP ASP A . A 1 171 ALA 171 171 ALA ALA A . A 1 172 SER 172 172 SER SER A . A 1 173 GLU 173 173 GLU GLU A . A 1 174 ALA 174 174 ALA ALA A . A 1 175 GLU 175 175 GLU GLU A . A 1 176 HIS 176 176 HIS HIS A . A 1 177 GLN 177 177 GLN GLN A . A 1 178 ARG 178 178 ARG ARG A . A 1 179 ALA 179 179 ALA ALA A . A 1 180 TYR 180 180 TYR TYR A . A 1 181 LEU 181 181 LEU LEU A . A 1 182 GLU 182 182 GLU GLU A . A 1 183 ASP 183 183 ASP ASP A . A 1 184 THR 184 184 THR THR A . A 1 185 CYS 185 185 CYS CYS A . A 1 186 VAL 186 186 VAL VAL A . A 1 187 GLU 187 187 GLU GLU A . A 1 188 TRP 188 188 TRP TRP A . A 1 189 LEU 189 189 LEU LEU A . A 1 190 HIS 190 190 HIS HIS A . A 1 191 LYS 191 191 LYS LYS A . A 1 192 TYR 192 192 TYR TYR A . A 1 193 LEU 193 193 LEU LEU A . A 1 194 GLU 194 194 GLU GLU A . A 1 195 LYS 195 195 LYS LYS A . A 1 196 GLY 196 196 GLY GLY A . A 1 197 LYS 197 197 LYS LYS A . A 1 198 GLU 198 198 GLU GLU A . A 1 199 THR 199 199 THR THR A . A 1 200 LEU 200 200 LEU LEU A . A 1 201 LEU 201 201 LEU LEU A . A 1 202 HIS 202 202 HIS HIS A . A 1 203 LEU 203 203 LEU LEU A . A 1 204 GLU 204 204 GLU GLU A . A 1 205 PRO 205 205 PRO PRO A . A 1 206 PRO 206 206 PRO PRO A . A 1 207 LYS 207 207 LYS LYS A . A 1 208 THR 208 208 THR THR A . A 1 209 HIS 209 209 HIS HIS A . A 1 210 VAL 210 210 VAL VAL A . A 1 211 THR 211 211 THR THR A . A 1 212 HIS 212 212 HIS HIS A . A 1 213 HIS 213 213 HIS HIS A . A 1 214 PRO 214 214 PRO PRO A . A 1 215 ILE 215 215 ILE ILE A . A 1 216 SER 216 216 SER SER A . A 1 217 ASP 217 217 ASP ASP A . A 1 218 HIS 218 218 HIS HIS A . A 1 219 GLU 219 219 GLU GLU A . A 1 220 ALA 220 220 ALA ALA A . A 1 221 THR 221 221 THR THR A . A 1 222 LEU 222 222 LEU LEU A . A 1 223 ARG 223 223 ARG ARG A . A 1 224 CYS 224 224 CYS CYS A . A 1 225 TRP 225 225 TRP TRP A . A 1 226 ALA 226 226 ALA ALA A . A 1 227 LEU 227 227 LEU LEU A . A 1 228 GLY 228 228 GLY GLY A . A 1 229 PHE 229 229 PHE PHE A . A 1 230 TYR 230 230 TYR TYR A . A 1 231 PRO 231 231 PRO PRO A . A 1 232 ALA 232 232 ALA ALA A . A 1 233 GLU 233 233 GLU GLU A . A 1 234 ILE 234 234 ILE ILE A . A 1 235 THR 235 235 THR THR A . A 1 236 LEU 236 236 LEU LEU A . A 1 237 THR 237 237 THR THR A . A 1 238 TRP 238 238 TRP TRP A . A 1 239 GLN 239 239 GLN GLN A . A 1 240 GLN 240 240 GLN GLN A . A 1 241 ASP 241 241 ASP ASP A . A 1 242 GLY 242 242 GLY GLY A . A 1 243 GLU 243 243 GLU GLU A . A 1 244 GLY 244 244 GLY GLY A . A 1 245 HIS 245 245 HIS HIS A . A 1 246 THR 246 246 THR THR A . A 1 247 GLN 247 247 GLN GLN A . A 1 248 ASP 248 248 ASP ASP A . A 1 249 THR 249 249 THR THR A . A 1 250 GLU 250 250 GLU GLU A . A 1 251 LEU 251 251 LEU LEU A . A 1 252 VAL 252 252 VAL VAL A . A 1 253 GLU 253 253 GLU GLU A . A 1 254 THR 254 254 THR THR A . A 1 255 ARG 255 255 ARG ARG A . A 1 256 PRO 256 256 PRO PRO A . A 1 257 ALA 257 257 ALA ALA A . A 1 258 GLY 258 258 GLY GLY A . A 1 259 ASP 259 259 ASP ASP A . A 1 260 GLY 260 260 GLY GLY A . A 1 261 THR 261 261 THR THR A . A 1 262 PHE 262 262 PHE PHE A . A 1 263 GLN 263 263 GLN GLN A . A 1 264 LYS 264 264 LYS LYS A . A 1 265 TRP 265 265 TRP TRP A . A 1 266 ALA 266 266 ALA ALA A . A 1 267 ALA 267 267 ALA ALA A . A 1 268 VAL 268 268 VAL VAL A . A 1 269 VAL 269 269 VAL VAL A . A 1 270 VAL 270 270 VAL VAL A . A 1 271 PRO 271 271 PRO PRO A . A 1 272 SER 272 272 SER SER A . A 1 273 GLY 273 273 GLY GLY A . A 1 274 GLU 274 274 GLU GLU A . A 1 275 GLU 275 275 GLU GLU A . A 1 276 GLN 276 276 GLN GLN A . A 1 277 ARG 277 277 ARG ARG A . A 1 278 TYR 278 278 TYR TYR A . A 1 279 THR 279 279 THR THR A . A 1 280 CYS 280 280 CYS CYS A . A 1 281 HIS 281 281 HIS HIS A . A 1 282 VAL 282 282 VAL VAL A . A 1 283 GLN 283 283 GLN GLN A . A 1 284 HIS 284 284 HIS HIS A . A 1 285 GLU 285 285 GLU GLU A . A 1 286 GLY 286 286 GLY GLY A . A 1 287 LEU 287 287 LEU LEU A . A 1 288 PRO 288 288 PRO PRO A . A 1 289 GLU 289 289 GLU GLU A . A 1 290 PRO 290 290 PRO PRO A . A 1 291 VAL 291 291 VAL VAL A . A 1 292 THR 292 292 THR THR A . A 1 293 LEU 293 293 LEU LEU A . A 1 294 ARG 294 294 ARG ARG A . A 1 295 TRP 295 295 TRP TRP A . A 1 296 LYS 296 296 LYS LYS A . A 1 297 PRO 297 297 PRO PRO A . A 1 298 ALA 298 298 ALA ALA A . A 1 299 SER 299 299 SER SER A . A 1 300 GLN 300 300 GLN GLN A . A 1 301 PRO 301 301 PRO PRO A . A 1 302 THR 302 302 THR THR A . A 1 303 ILE 303 303 ILE ILE A . A 1 304 PRO 304 304 PRO PRO A . A 1 305 ILE 305 305 ILE ILE A . A 1 306 VAL 306 306 VAL VAL A . A 1 307 GLY 307 307 GLY GLY A . A 1 308 ILE 308 308 ILE ILE A . A 1 309 ILE 309 309 ILE ILE A . A 1 310 ALA 310 310 ALA ALA A . A 1 311 GLY 311 311 GLY GLY A . A 1 312 LEU 312 312 LEU LEU A . A 1 313 VAL 313 313 VAL VAL A . A 1 314 LEU 314 314 LEU LEU A . A 1 315 LEU 315 315 LEU LEU A . A 1 316 GLY 316 316 GLY GLY A . A 1 317 SER 317 317 SER SER A . A 1 318 VAL 318 318 VAL VAL A . A 1 319 VAL 319 319 VAL VAL A . A 1 320 SER 320 320 SER SER A . A 1 321 GLY 321 321 GLY GLY A . A 1 322 ALA 322 322 ALA ALA A . A 1 323 VAL 323 323 VAL VAL A . A 1 324 VAL 324 324 VAL VAL A . A 1 325 ALA 325 325 ALA ALA A . A 1 326 ALA 326 326 ALA ALA A . A 1 327 VAL 327 327 VAL VAL A . A 1 328 ILE 328 328 ILE ILE A . A 1 329 TRP 329 329 TRP TRP A . A 1 330 ARG 330 330 ARG ARG A . A 1 331 LYS 331 331 LYS LYS A . A 1 332 LYS 332 332 LYS LYS A . A 1 333 SER 333 333 SER SER A . A 1 334 SER 334 334 SER SER A . A 1 335 GLY 335 335 GLY GLY A . A 1 336 GLY 336 336 GLY GLY A . A 1 337 LYS 337 337 LYS LYS A . A 1 338 GLY 338 338 GLY GLY A . A 1 339 GLY 339 339 GLY GLY A . A 1 340 SER 340 340 SER SER A . A 1 341 TYR 341 341 TYR TYR A . A 1 342 SER 342 342 SER SER A . A 1 343 LYS 343 343 LYS LYS A . A 1 344 ALA 344 344 ALA ALA A . A 1 345 GLU 345 345 GLU GLU A . A 1 346 TRP 346 346 TRP TRP A . A 1 347 SER 347 347 SER SER A . A 1 348 ASP 348 348 ASP ASP A . A 1 349 SER 349 349 SER SER A . A 1 350 ALA 350 350 ALA ALA A . A 1 351 GLN 351 351 GLN GLN A . A 1 352 GLY 352 352 GLY GLY A . A 1 353 SER 353 353 SER SER A . A 1 354 GLU 354 354 GLU GLU A . A 1 355 SER 355 355 SER SER A . A 1 356 HIS 356 356 HIS HIS A . A 1 357 SER 357 357 SER SER A . A 1 358 LEU 358 358 LEU LEU A . B 2 1 MET 1 1 MET MET B . B 2 2 SER 2 2 SER SER B . B 2 3 ARG 3 3 ARG ARG B . B 2 4 SER 4 4 SER SER B . B 2 5 VAL 5 5 VAL VAL B . B 2 6 ALA 6 6 ALA ALA B . B 2 7 LEU 7 7 LEU LEU B . B 2 8 ALA 8 8 ALA ALA B . B 2 9 VAL 9 9 VAL VAL B . B 2 10 LEU 10 10 LEU LEU B . B 2 11 ALA 11 11 ALA ALA B . B 2 12 LEU 12 12 LEU LEU B . B 2 13 LEU 13 13 LEU LEU B . B 2 14 SER 14 14 SER SER B . B 2 15 LEU 15 15 LEU LEU B . B 2 16 SER 16 16 SER SER B . B 2 17 GLY 17 17 GLY GLY B . B 2 18 LEU 18 18 LEU LEU B . B 2 19 GLU 19 19 GLU GLU B . B 2 20 ALA 20 20 ALA ALA B . B 2 21 ILE 21 21 ILE ILE B . B 2 22 GLN 22 22 GLN GLN B . B 2 23 ARG 23 23 ARG ARG B . B 2 24 THR 24 24 THR THR B . B 2 25 PRO 25 25 PRO PRO B . B 2 26 LYS 26 26 LYS LYS B . B 2 27 ILE 27 27 ILE ILE B . B 2 28 GLN 28 28 GLN GLN B . B 2 29 VAL 29 29 VAL VAL B . B 2 30 TYR 30 30 TYR TYR B . B 2 31 SER 31 31 SER SER B . B 2 32 ARG 32 32 ARG ARG B . B 2 33 HIS 33 33 HIS HIS B . B 2 34 PRO 34 34 PRO PRO B . B 2 35 ALA 35 35 ALA ALA B . B 2 36 GLU 36 36 GLU GLU B . B 2 37 ASN 37 37 ASN ASN B . B 2 38 GLY 38 38 GLY GLY B . B 2 39 LYS 39 39 LYS LYS B . B 2 40 SER 40 40 SER SER B . B 2 41 ASN 41 41 ASN ASN B . B 2 42 PHE 42 42 PHE PHE B . B 2 43 LEU 43 43 LEU LEU B . B 2 44 ASN 44 44 ASN ASN B . B 2 45 CYS 45 45 CYS CYS B . B 2 46 TYR 46 46 TYR TYR B . B 2 47 VAL 47 47 VAL VAL B . B 2 48 SER 48 48 SER SER B . B 2 49 GLY 49 49 GLY GLY B . B 2 50 PHE 50 50 PHE PHE B . B 2 51 HIS 51 51 HIS HIS B . B 2 52 PRO 52 52 PRO PRO B . B 2 53 SER 53 53 SER SER B . B 2 54 ASP 54 54 ASP ASP B . B 2 55 ILE 55 55 ILE ILE B . B 2 56 GLU 56 56 GLU GLU B . B 2 57 VAL 57 57 VAL VAL B . B 2 58 ASP 58 58 ASP ASP B . B 2 59 LEU 59 59 LEU LEU B . B 2 60 LEU 60 60 LEU LEU B . B 2 61 LYS 61 61 LYS LYS B . B 2 62 ASN 62 62 ASN ASN B . B 2 63 GLY 63 63 GLY GLY B . B 2 64 GLU 64 64 GLU GLU B . B 2 65 ARG 65 65 ARG ARG B . B 2 66 ILE 66 66 ILE ILE B . B 2 67 GLU 67 67 GLU GLU B . B 2 68 LYS 68 68 LYS LYS B . B 2 69 VAL 69 69 VAL VAL B . B 2 70 GLU 70 70 GLU GLU B . B 2 71 HIS 71 71 HIS HIS B . B 2 72 SER 72 72 SER SER B . B 2 73 ASP 73 73 ASP ASP B . B 2 74 LEU 74 74 LEU LEU B . B 2 75 SER 75 75 SER SER B . B 2 76 PHE 76 76 PHE PHE B . B 2 77 SER 77 77 SER SER B . B 2 78 LYS 78 78 LYS LYS B . B 2 79 ASP 79 79 ASP ASP B . B 2 80 TRP 80 80 TRP TRP B . B 2 81 SER 81 81 SER SER B . B 2 82 PHE 82 82 PHE PHE B . B 2 83 TYR 83 83 TYR TYR B . B 2 84 LEU 84 84 LEU LEU B . B 2 85 LEU 85 85 LEU LEU B . B 2 86 TYR 86 86 TYR TYR B . B 2 87 TYR 87 87 TYR TYR B . B 2 88 THR 88 88 THR THR B . B 2 89 GLU 89 89 GLU GLU B . B 2 90 PHE 90 90 PHE PHE B . B 2 91 THR 91 91 THR THR B . B 2 92 PRO 92 92 PRO PRO B . B 2 93 THR 93 93 THR THR B . B 2 94 GLU 94 94 GLU GLU B . B 2 95 LYS 95 95 LYS LYS B . B 2 96 ASP 96 96 ASP ASP B . B 2 97 GLU 97 97 GLU GLU B . B 2 98 TYR 98 98 TYR TYR B . B 2 99 ALA 99 99 ALA ALA B . B 2 100 CYS 100 100 CYS CYS B . B 2 101 ARG 101 101 ARG ARG B . B 2 102 VAL 102 102 VAL VAL B . B 2 103 ASN 103 103 ASN ASN B . B 2 104 HIS 104 104 HIS HIS B . B 2 105 VAL 105 105 VAL VAL B . B 2 106 THR 106 106 THR THR B . B 2 107 LEU 107 107 LEU LEU B . B 2 108 SER 108 108 SER SER B . B 2 109 GLN 109 109 GLN GLN B . B 2 110 PRO 110 110 PRO PRO B . B 2 111 LYS 111 111 LYS LYS B . B 2 112 ILE 112 112 ILE ILE B . B 2 113 VAL 113 113 VAL VAL B . B 2 114 LYS 114 114 LYS LYS B . B 2 115 TRP 115 115 TRP TRP B . B 2 116 ASP 116 116 ASP ASP B . B 2 117 ARG 117 117 ARG ARG B . B 2 118 ASP 118 118 ASP ASP B . B 2 119 MET 119 119 MET MET B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) HLA-E (P13747; 1 - 358)' target 2 'Homo sapiens (Human) B2M (P61769; 1 - 119)' target 3 'Model 3' 'model coordinates' 4 'Paired MSA for the dimer' 'coevolution MSA' loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 1 2 3 2 1 4 2 2 5 2 4 6 3 4 7 4 3 loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 'reference database' 2 2 'reference database' loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 . B 2 . loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type _ma_protocol_step.step_name _ma_protocol_step.details _ma_protocol_step.software_group_id _ma_protocol_step.input_data_group_id _ma_protocol_step.output_data_group_id 1 1 1 'coevolution MSA' . 'Create paired MSAs for the dimers' . 1 3 2 1 2 modeling . "Model using AlphaFold ('model 3' parameters; pTM monomer version) with a 200 residue gap between the two chains, without templates and without model relaxation" 1 2 4 loop_ _ma_model_list.ordinal_id _ma_model_list.model_id _ma_model_list.model_group_id _ma_model_list.model_name _ma_model_list.model_group_name _ma_model_list.data_id _ma_model_list.model_type _ma_model_list.model_type_other_details 1 1 1 'Model 3' . 3 'Ab initio model' . 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_seq_id _atom_site.auth_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.label_asym_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.label_entity_id _atom_site.auth_asym_id _atom_site.B_iso_or_equiv _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET 1 1 ? A 18.632 -16.295 56.937 1.000 1 A 44.443 1 ATOM 2 C CA . MET 1 1 ? A 19.165 -16.965 55.755 1.000 1 A 44.443 1 ATOM 3 C C . MET 1 1 ? A 18.135 -16.986 54.631 1.000 1 A 44.443 1 ATOM 4 O O . MET 1 1 ? A 17.183 -17.768 54.671 1.000 1 A 44.443 1 ATOM 5 C CB . MET 1 1 ? A 19.599 -18.392 56.094 1.000 1 A 44.443 1 ATOM 6 C CG . MET 1 1 ? A 20.997 -18.484 56.683 1.000 1 A 44.443 1 ATOM 7 S SD . MET 1 1 ? A 21.436 -20.193 57.189 1.000 1 A 44.443 1 ATOM 8 C CE . MET 1 1 ? A 21.782 -20.928 55.566 1.000 1 A 44.443 1 ATOM 9 N N . VAL 2 2 ? A 17.561 -15.811 54.350 1.000 1 A 41.843 1 ATOM 10 C CA . VAL 2 2 ? A 16.710 -15.814 53.165 1.000 1 A 41.843 1 ATOM 11 C C . VAL 2 2 ? A 17.171 -14.730 52.194 1.000 1 A 41.843 1 ATOM 12 O O . VAL 2 2 ? A 17.004 -13.537 52.461 1.000 1 A 41.843 1 ATOM 13 C CB . VAL 2 2 ? A 15.224 -15.603 53.533 1.000 1 A 41.843 1 ATOM 14 C CG1 . VAL 2 2 ? A 14.342 -15.693 52.289 1.000 1 A 41.843 1 ATOM 15 C CG2 . VAL 2 2 ? A 14.783 -16.626 54.579 1.000 1 A 41.843 1 ATOM 16 N N . ASP 3 3 ? A 18.461 -14.808 51.768 1.000 1 A 48.540 1 ATOM 17 C CA . ASP 3 3 ? A 18.883 -13.752 50.853 1.000 1 A 48.540 1 ATOM 18 C C . ASP 3 3 ? A 19.722 -14.318 49.710 1.000 1 A 48.540 1 ATOM 19 O O . ASP 3 3 ? A 20.698 -13.698 49.283 1.000 1 A 48.540 1 ATOM 20 C CB . ASP 3 3 ? A 19.674 -12.677 51.603 1.000 1 A 48.540 1 ATOM 21 C CG . ASP 3 3 ? A 19.005 -11.314 51.564 1.000 1 A 48.540 1 ATOM 22 O OD1 . ASP 3 3 ? A 17.999 -11.149 50.841 1.000 1 A 48.540 1 ATOM 23 O OD2 . ASP 3 3 ? A 19.491 -10.397 52.261 1.000 1 A 48.540 1 ATOM 24 N N . GLY 4 4 ? A 19.203 -15.246 48.901 1.000 1 A 51.006 1 ATOM 25 C CA . GLY 4 4 ? A 19.921 -15.385 47.644 1.000 1 A 51.006 1 ATOM 26 C C . GLY 4 4 ? A 19.133 -16.135 46.587 1.000 1 A 51.006 1 ATOM 27 O O . GLY 4 4 ? A 19.331 -15.921 45.389 1.000 1 A 51.006 1 ATOM 28 N N . THR 5 5 ? A 17.932 -16.630 46.943 1.000 1 A 55.250 1 ATOM 29 C CA . THR 5 5 ? A 17.223 -17.409 45.934 1.000 1 A 55.250 1 ATOM 30 C C . THR 5 5 ? A 16.132 -16.572 45.272 1.000 1 A 55.250 1 ATOM 31 O O . THR 5 5 ? A 15.866 -16.721 44.078 1.000 1 A 55.250 1 ATOM 32 C CB . THR 5 5 ? A 16.602 -18.680 46.543 1.000 1 A 55.250 1 ATOM 33 O OG1 . THR 5 5 ? A 16.715 -18.623 47.970 1.000 1 A 55.250 1 ATOM 34 C CG2 . THR 5 5 ? A 17.309 -19.934 46.038 1.000 1 A 55.250 1 ATOM 35 N N . LEU 6 6 ? A 15.694 -15.433 45.912 1.000 1 A 53.413 1 ATOM 36 C CA . LEU 6 6 ? A 14.649 -14.613 45.308 1.000 1 A 53.413 1 ATOM 37 C C . LEU 6 6 ? A 15.245 -13.610 44.325 1.000 1 A 53.413 1 ATOM 38 O O . LEU 6 6 ? A 14.648 -13.324 43.285 1.000 1 A 53.413 1 ATOM 39 C CB . LEU 6 6 ? A 13.854 -13.876 46.388 1.000 1 A 53.413 1 ATOM 40 C CG . LEU 6 6 ? A 12.389 -13.574 46.065 1.000 1 A 53.413 1 ATOM 41 C CD1 . LEU 6 6 ? A 11.500 -14.734 46.502 1.000 1 A 53.413 1 ATOM 42 C CD2 . LEU 6 6 ? A 11.951 -12.276 46.735 1.000 1 A 53.413 1 ATOM 43 N N . LEU 7 7 ? A 16.602 -13.365 44.450 1.000 1 A 53.350 1 ATOM 44 C CA . LEU 7 7 ? A 17.225 -12.447 43.503 1.000 1 A 53.350 1 ATOM 45 C C . LEU 7 7 ? A 17.633 -13.178 42.227 1.000 1 A 53.350 1 ATOM 46 O O . LEU 7 7 ? A 17.573 -12.609 41.135 1.000 1 A 53.350 1 ATOM 47 C CB . LEU 7 7 ? A 18.448 -11.774 44.132 1.000 1 A 53.350 1 ATOM 48 C CG . LEU 7 7 ? A 18.271 -10.319 44.568 1.000 1 A 53.350 1 ATOM 49 C CD1 . LEU 7 7 ? A 18.650 -10.155 46.036 1.000 1 A 53.350 1 ATOM 50 C CD2 . LEU 7 7 ? A 19.103 -9.392 43.689 1.000 1 A 53.350 1 ATOM 51 N N . LEU 8 8 ? A 17.677 -14.535 42.275 1.000 1 A 53.980 1 ATOM 52 C CA . LEU 8 8 ? A 18.039 -15.269 41.068 1.000 1 A 53.980 1 ATOM 53 C C . LEU 8 8 ? A 16.802 -15.594 40.237 1.000 1 A 53.980 1 ATOM 54 O O . LEU 8 8 ? A 16.859 -15.598 39.006 1.000 1 A 53.980 1 ATOM 55 C CB . LEU 8 8 ? A 18.780 -16.560 41.427 1.000 1 A 53.980 1 ATOM 56 C CG . LEU 8 8 ? A 20.299 -16.451 41.573 1.000 1 A 53.980 1 ATOM 57 C CD1 . LEU 8 8 ? A 20.804 -17.446 42.613 1.000 1 A 53.980 1 ATOM 58 C CD2 . LEU 8 8 ? A 20.983 -16.681 40.229 1.000 1 A 53.980 1 ATOM 59 N N . LEU 9 9 ? A 15.603 -15.529 40.930 1.000 1 A 54.214 1 ATOM 60 C CA . LEU 9 9 ? A 14.409 -15.763 40.126 1.000 1 A 54.214 1 ATOM 61 C C . LEU 9 9 ? A 13.925 -14.469 39.480 1.000 1 A 54.214 1 ATOM 62 O O . LEU 9 9 ? A 13.433 -14.480 38.350 1.000 1 A 54.214 1 ATOM 63 C CB . LEU 9 9 ? A 13.295 -16.367 40.984 1.000 1 A 54.214 1 ATOM 64 C CG . LEU 9 9 ? A 13.457 -17.838 41.370 1.000 1 A 54.214 1 ATOM 65 C CD1 . LEU 9 9 ? A 12.498 -18.199 42.499 1.000 1 A 54.214 1 ATOM 66 C CD2 . LEU 9 9 ? A 13.229 -18.737 40.160 1.000 1 A 54.214 1 ATOM 67 N N . LEU 10 10 ? A 14.429 -13.294 40.055 1.000 1 A 50.746 1 ATOM 68 C CA . LEU 10 10 ? A 14.051 -12.046 39.401 1.000 1 A 50.746 1 ATOM 69 C C . LEU 10 10 ? A 15.048 -11.684 38.305 1.000 1 A 50.746 1 ATOM 70 O O . LEU 10 10 ? A 14.668 -11.120 37.276 1.000 1 A 50.746 1 ATOM 71 C CB . LEU 10 10 ? A 13.965 -10.909 40.424 1.000 1 A 50.746 1 ATOM 72 C CG . LEU 10 10 ? A 12.698 -10.862 41.279 1.000 1 A 50.746 1 ATOM 73 C CD1 . LEU 10 10 ? A 12.969 -10.130 42.589 1.000 1 A 50.746 1 ATOM 74 C CD2 . LEU 10 10 ? A 11.560 -10.194 40.513 1.000 1 A 50.746 1 ATOM 75 N N . SER 11 11 ? A 16.296 -12.348 38.396 1.000 1 A 49.520 1 ATOM 76 C CA . SER 11 11 ? A 17.222 -12.087 37.299 1.000 1 A 49.520 1 ATOM 77 C C . SER 11 11 ? A 16.956 -13.016 36.118 1.000 1 A 49.520 1 ATOM 78 O O . SER 11 11 ? A 17.111 -12.618 34.962 1.000 1 A 49.520 1 ATOM 79 C CB . SER 11 11 ? A 18.669 -12.249 37.768 1.000 1 A 49.520 1 ATOM 80 O OG . SER 11 11 ? A 18.774 -13.292 38.722 1.000 1 A 49.520 1 ATOM 81 N N . GLU 12 12 ? A 16.226 -14.189 36.414 1.000 1 A 44.957 1 ATOM 82 C CA . GLU 12 12 ? A 15.861 -15.058 35.299 1.000 1 A 44.957 1 ATOM 83 C C . GLU 12 12 ? A 14.563 -14.596 34.643 1.000 1 A 44.957 1 ATOM 84 O O . GLU 12 12 ? A 14.382 -14.754 33.434 1.000 1 A 44.957 1 ATOM 85 C CB . GLU 12 12 ? A 15.726 -16.508 35.770 1.000 1 A 44.957 1 ATOM 86 C CG . GLU 12 12 ? A 17.039 -17.278 35.775 1.000 1 A 44.957 1 ATOM 87 C CD . GLU 12 12 ? A 16.899 -18.700 36.295 1.000 1 A 44.957 1 ATOM 88 O OE1 . GLU 12 12 ? A 17.918 -19.422 36.369 1.000 1 A 44.957 1 ATOM 89 O OE2 . GLU 12 12 ? A 15.759 -19.095 36.629 1.000 1 A 44.957 1 ATOM 90 N N . ALA 13 13 ? A 13.743 -13.746 35.314 1.000 1 A 47.551 1 ATOM 91 C CA . ALA 13 13 ? A 12.601 -13.138 34.638 1.000 1 A 47.551 1 ATOM 92 C C . ALA 13 13 ? A 13.010 -11.860 33.910 1.000 1 A 47.551 1 ATOM 93 O O . ALA 13 13 ? A 12.461 -11.536 32.854 1.000 1 A 47.551 1 ATOM 94 C CB . ALA 13 13 ? A 11.486 -12.842 35.638 1.000 1 A 47.551 1 ATOM 95 N N . LEU 14 14 ? A 14.250 -11.331 34.215 1.000 1 A 42.885 1 ATOM 96 C CA . LEU 14 14 ? A 14.724 -10.154 33.495 1.000 1 A 42.885 1 ATOM 97 C C . LEU 14 14 ? A 15.710 -10.547 32.400 1.000 1 A 42.885 1 ATOM 98 O O . LEU 14 14 ? A 16.250 -9.683 31.706 1.000 1 A 42.885 1 ATOM 99 C CB . LEU 14 14 ? A 15.382 -9.164 34.459 1.000 1 A 42.885 1 ATOM 100 C CG . LEU 14 14 ? A 14.446 -8.179 35.162 1.000 1 A 42.885 1 ATOM 101 C CD1 . LEU 14 14 ? A 14.940 -7.897 36.577 1.000 1 A 42.885 1 ATOM 102 C CD2 . LEU 14 14 ? A 14.332 -6.886 34.362 1.000 1 A 42.885 1 ATOM 103 N N . ALA 15 15 ? A 16.049 -11.899 32.271 1.000 1 A 42.178 1 ATOM 104 C CA . ALA 15 15 ? A 16.664 -12.222 30.986 1.000 1 A 42.178 1 ATOM 105 C C . ALA 15 15 ? A 15.636 -12.172 29.859 1.000 1 A 42.178 1 ATOM 106 O O . ALA 15 15 ? A 15.367 -13.186 29.211 1.000 1 A 42.178 1 ATOM 107 C CB . ALA 15 15 ? A 17.322 -13.598 31.041 1.000 1 A 42.178 1 ATOM 108 N N . LEU 16 16 ? A 14.521 -11.301 29.941 1.000 1 A 40.845 1 ATOM 109 C CA . LEU 16 16 ? A 13.649 -10.680 28.950 1.000 1 A 40.845 1 ATOM 110 C C . LEU 16 16 ? A 14.268 -10.757 27.558 1.000 1 A 40.845 1 ATOM 111 O O . LEU 16 16 ? A 15.303 -10.138 27.299 1.000 1 A 40.845 1 ATOM 112 C CB . LEU 16 16 ? A 13.373 -9.220 29.318 1.000 1 A 40.845 1 ATOM 113 C CG . LEU 16 16 ? A 12.273 -8.977 30.352 1.000 1 A 40.845 1 ATOM 114 C CD1 . LEU 16 16 ? A 12.550 -7.695 31.130 1.000 1 A 40.845 1 ATOM 115 C CD2 . LEU 16 16 ? A 10.908 -8.914 29.675 1.000 1 A 40.845 1 ATOM 116 N N . THR 17 17 ? A 14.716 -11.919 27.037 1.000 1 A 46.389 1 ATOM 117 C CA . THR 17 17 ? A 14.798 -12.021 25.584 1.000 1 A 46.389 1 ATOM 118 C C . THR 17 17 ? A 13.828 -11.050 24.918 1.000 1 A 46.389 1 ATOM 119 O O . THR 17 17 ? A 12.684 -10.909 25.354 1.000 1 A 46.389 1 ATOM 120 C CB . THR 17 17 ? A 14.502 -13.455 25.107 1.000 1 A 46.389 1 ATOM 121 O OG1 . THR 17 17 ? A 13.238 -13.876 25.635 1.000 1 A 46.389 1 ATOM 122 C CG2 . THR 17 17 ? A 15.583 -14.424 25.573 1.000 1 A 46.389 1 ATOM 123 N N . GLN 18 18 ? A 14.047 -9.757 25.109 1.000 1 A 48.652 1 ATOM 124 C CA . GLN 18 18 ? A 13.423 -8.758 24.247 1.000 1 A 48.652 1 ATOM 125 C C . GLN 18 18 ? A 12.503 -9.414 23.221 1.000 1 A 48.652 1 ATOM 126 O O . GLN 18 18 ? A 12.971 -10.100 22.309 1.000 1 A 48.652 1 ATOM 127 C CB . GLN 18 18 ? A 14.487 -7.919 23.538 1.000 1 A 48.652 1 ATOM 128 C CG . GLN 18 18 ? A 14.821 -6.617 24.254 1.000 1 A 48.652 1 ATOM 129 C CD . GLN 18 18 ? A 15.941 -5.847 23.579 1.000 1 A 48.652 1 ATOM 130 O OE1 . GLN 18 18 ? A 16.018 -5.790 22.348 1.000 1 A 48.652 1 ATOM 131 N NE2 . GLN 18 18 ? A 16.817 -5.251 24.380 1.000 1 A 48.652 1 ATOM 132 N N . THR 19 19 ? A 11.604 -10.302 23.607 1.000 1 A 53.463 1 ATOM 133 C CA . THR 19 19 ? A 10.659 -10.934 22.693 1.000 1 A 53.463 1 ATOM 134 C C . THR 19 19 ? A 9.816 -9.884 21.974 1.000 1 A 53.463 1 ATOM 135 O O . THR 19 19 ? A 9.429 -8.877 22.570 1.000 1 A 53.463 1 ATOM 136 C CB . THR 19 19 ? A 9.734 -11.916 23.437 1.000 1 A 53.463 1 ATOM 137 O OG1 . THR 19 19 ? A 9.083 -11.228 24.512 1.000 1 A 53.463 1 ATOM 138 C CG2 . THR 19 19 ? A 10.523 -13.091 24.005 1.000 1 A 53.463 1 ATOM 139 N N . TRP 20 20 ? A 10.259 -9.248 20.916 1.000 1 A 65.229 1 ATOM 140 C CA . TRP 20 20 ? A 9.489 -8.421 19.993 1.000 1 A 65.229 1 ATOM 141 C C . TRP 20 20 ? A 8.030 -8.864 19.951 1.000 1 A 65.229 1 ATOM 142 O O . TRP 20 20 ? A 7.741 -10.060 19.864 1.000 1 A 65.229 1 ATOM 143 C CB . TRP 20 20 ? A 10.093 -8.477 18.587 1.000 1 A 65.229 1 ATOM 144 C CG . TRP 20 20 ? A 11.558 -8.163 18.540 1.000 1 A 65.229 1 ATOM 145 C CD1 . TRP 20 20 ? A 12.570 -8.861 19.139 1.000 1 A 65.229 1 ATOM 146 C CD2 . TRP 20 20 ? A 12.175 -7.066 17.861 1.000 1 A 65.229 1 ATOM 147 N NE1 . TRP 20 20 ? A 13.780 -8.263 18.872 1.000 1 A 65.229 1 ATOM 148 C CE2 . TRP 20 20 ? A 13.566 -7.161 18.090 1.000 1 A 65.229 1 ATOM 149 C CE3 . TRP 20 20 ? A 11.687 -6.011 17.078 1.000 1 A 65.229 1 ATOM 150 C CZ2 . TRP 20 20 ? A 14.474 -6.238 17.564 1.000 1 A 65.229 1 ATOM 151 C CZ3 . TRP 20 20 ? A 12.592 -5.094 16.556 1.000 1 A 65.229 1 ATOM 152 C CH2 . TRP 20 20 ? A 13.970 -5.216 16.802 1.000 1 A 65.229 1 ATOM 153 N N . ALA 21 21 ? A 7.143 -8.310 20.824 1.000 1 A 64.565 1 ATOM 154 C CA . ALA 21 21 ? A 5.713 -8.592 20.905 1.000 1 A 64.565 1 ATOM 155 C C . ALA 21 21 ? A 5.110 -8.775 19.514 1.000 1 A 64.565 1 ATOM 156 O O . ALA 21 21 ? A 5.192 -7.877 18.673 1.000 1 A 64.565 1 ATOM 157 C CB . ALA 21 21 ? A 4.991 -7.473 21.651 1.000 1 A 64.565 1 ATOM 158 N N . GLY 22 22 ? A 5.293 -9.819 18.784 1.000 1 A 81.606 1 ATOM 159 C CA . GLY 22 22 ? A 4.601 -10.138 17.545 1.000 1 A 81.606 1 ATOM 160 C C . GLY 22 22 ? A 5.541 -10.525 16.420 1.000 1 A 81.606 1 ATOM 161 O O . GLY 22 22 ? A 6.746 -10.676 16.634 1.000 1 A 81.606 1 ATOM 162 N N . SER 23 23 ? A 5.014 -10.900 15.280 1.000 1 A 92.421 1 ATOM 163 C CA . SER 23 23 ? A 5.754 -11.254 14.073 1.000 1 A 92.421 1 ATOM 164 C C . SER 23 23 ? A 6.230 -10.009 13.331 1.000 1 A 92.421 1 ATOM 165 O O . SER 23 23 ? A 5.585 -8.960 13.391 1.000 1 A 92.421 1 ATOM 166 C CB . SER 23 23 ? A 4.890 -12.110 13.146 1.000 1 A 92.421 1 ATOM 167 O OG . SER 23 23 ? A 4.513 -13.318 13.785 1.000 1 A 92.421 1 ATOM 168 N N . HIS 24 24 ? A 7.403 -10.012 12.865 1.000 1 A 95.677 1 ATOM 169 C CA . HIS 24 24 ? A 8.012 -8.929 12.101 1.000 1 A 95.677 1 ATOM 170 C C . HIS 24 24 ? A 8.524 -9.426 10.753 1.000 1 A 95.677 1 ATOM 171 O O . HIS 24 24 ? A 8.934 -10.582 10.628 1.000 1 A 95.677 1 ATOM 172 C CB . HIS 24 24 ? A 9.154 -8.290 12.893 1.000 1 A 95.677 1 ATOM 173 C CG . HIS 24 24 ? A 8.714 -7.657 14.175 1.000 1 A 95.677 1 ATOM 174 N ND1 . HIS 24 24 ? A 8.111 -6.419 14.225 1.000 1 A 95.677 1 ATOM 175 C CD2 . HIS 24 24 ? A 8.788 -8.095 15.454 1.000 1 A 95.677 1 ATOM 176 C CE1 . HIS 24 24 ? A 7.834 -6.122 15.483 1.000 1 A 95.677 1 ATOM 177 N NE2 . HIS 24 24 ? A 8.234 -7.122 16.249 1.000 1 A 95.677 1 ATOM 178 N N . SER 25 25 ? A 8.527 -8.509 9.775 1.000 1 A 97.480 1 ATOM 179 C CA . SER 25 25 ? A 8.947 -8.920 8.439 1.000 1 A 97.480 1 ATOM 180 C C . SER 25 25 ? A 9.882 -7.890 7.813 1.000 1 A 97.480 1 ATOM 181 O O . SER 25 25 ? A 9.824 -6.706 8.149 1.000 1 A 97.480 1 ATOM 182 C CB . SER 25 25 ? A 7.731 -9.132 7.536 1.000 1 A 97.480 1 ATOM 183 O OG . SER 25 25 ? A 7.037 -7.913 7.332 1.000 1 A 97.480 1 ATOM 184 N N . LEU 26 26 ? A 10.750 -8.350 7.025 1.000 1 A 98.638 1 ATOM 185 C CA . LEU 26 26 ? A 11.586 -7.585 6.106 1.000 1 A 98.638 1 ATOM 186 C C . LEU 26 26 ? A 11.327 -8.000 4.662 1.000 1 A 98.638 1 ATOM 187 O O . LEU 26 26 ? A 11.565 -9.151 4.289 1.000 1 A 98.638 1 ATOM 188 C CB . LEU 26 26 ? A 13.067 -7.774 6.445 1.000 1 A 98.638 1 ATOM 189 C CG . LEU 26 26 ? A 14.069 -7.106 5.502 1.000 1 A 98.638 1 ATOM 190 C CD1 . LEU 26 26 ? A 13.844 -5.598 5.472 1.000 1 A 98.638 1 ATOM 191 C CD2 . LEU 26 26 ? A 15.499 -7.429 5.924 1.000 1 A 98.638 1 ATOM 192 N N . LYS 27 27 ? A 10.850 -6.969 3.862 1.000 1 A 98.379 1 ATOM 193 C CA . LYS 27 27 ? A 10.494 -7.288 2.482 1.000 1 A 98.379 1 ATOM 194 C C . LYS 27 27 ? A 11.036 -6.237 1.518 1.000 1 A 98.379 1 ATOM 195 O O . LYS 27 27 ? A 10.980 -5.039 1.802 1.000 1 A 98.379 1 ATOM 196 C CB . LYS 27 27 ? A 8.977 -7.405 2.332 1.000 1 A 98.379 1 ATOM 197 C CG . LYS 27 27 ? A 8.360 -8.535 3.142 1.000 1 A 98.379 1 ATOM 198 C CD . LYS 27 27 ? A 6.841 -8.548 3.019 1.000 1 A 98.379 1 ATOM 199 C CE . LYS 27 27 ? A 6.219 -9.645 3.871 1.000 1 A 98.379 1 ATOM 200 N NZ . LYS 27 27 ? A 4.727 -9.615 3.811 1.000 1 A 98.379 1 ATOM 201 N N . TYR 28 28 ? A 11.513 -6.720 0.446 1.000 1 A 98.448 1 ATOM 202 C CA . TYR 28 28 ? A 11.948 -5.875 -0.661 1.000 1 A 98.448 1 ATOM 203 C C . TYR 28 28 ? A 11.050 -6.065 -1.878 1.000 1 A 98.448 1 ATOM 204 O O . TYR 28 28 ? A 10.615 -7.181 -2.168 1.000 1 A 98.448 1 ATOM 205 C CB . TYR 28 28 ? A 13.402 -6.182 -1.032 1.000 1 A 98.448 1 ATOM 206 C CG . TYR 28 28 ? A 14.390 -5.850 0.060 1.000 1 A 98.448 1 ATOM 207 C CD1 . TYR 28 28 ? A 14.949 -4.577 0.158 1.000 1 A 98.448 1 ATOM 208 C CD2 . TYR 28 28 ? A 14.768 -6.808 0.995 1.000 1 A 98.448 1 ATOM 209 C CE1 . TYR 28 28 ? A 15.861 -4.267 1.161 1.000 1 A 98.448 1 ATOM 210 C CE2 . TYR 28 28 ? A 15.679 -6.509 2.002 1.000 1 A 98.448 1 ATOM 211 C CZ . TYR 28 28 ? A 16.219 -5.238 2.077 1.000 1 A 98.448 1 ATOM 212 O OH . TYR 28 28 ? A 17.122 -4.937 3.073 1.000 1 A 98.448 1 ATOM 213 N N . PHE 29 29 ? A 10.781 -4.992 -2.545 1.000 1 A 98.655 1 ATOM 214 C CA . PHE 29 29 ? A 9.966 -4.964 -3.754 1.000 1 A 98.655 1 ATOM 215 C C . PHE 29 29 ? A 10.726 -4.313 -4.904 1.000 1 A 98.655 1 ATOM 216 O O . PHE 29 29 ? A 11.138 -3.155 -4.806 1.000 1 A 98.655 1 ATOM 217 C CB . PHE 29 29 ? A 8.654 -4.216 -3.501 1.000 1 A 98.655 1 ATOM 218 C CG . PHE 29 29 ? A 7.820 -4.809 -2.397 1.000 1 A 98.655 1 ATOM 219 C CD1 . PHE 29 29 ? A 6.785 -5.690 -2.685 1.000 1 A 98.655 1 ATOM 220 C CD2 . PHE 29 29 ? A 8.072 -4.485 -1.071 1.000 1 A 98.655 1 ATOM 221 C CE1 . PHE 29 29 ? A 6.012 -6.240 -1.665 1.000 1 A 98.655 1 ATOM 222 C CE2 . PHE 29 29 ? A 7.304 -5.030 -0.046 1.000 1 A 98.655 1 ATOM 223 C CZ . PHE 29 29 ? A 6.274 -5.907 -0.345 1.000 1 A 98.655 1 ATOM 224 N N . HIS 30 30 ? A 10.947 -5.046 -5.940 1.000 1 A 98.685 1 ATOM 225 C CA . HIS 30 30 ? A 11.642 -4.568 -7.129 1.000 1 A 98.685 1 ATOM 226 C C . HIS 30 30 ? A 10.715 -4.551 -8.340 1.000 1 A 98.685 1 ATOM 227 O O . HIS 30 30 ? A 10.003 -5.525 -8.596 1.000 1 A 98.685 1 ATOM 228 C CB . HIS 30 30 ? A 12.868 -5.436 -7.419 1.000 1 A 98.685 1 ATOM 229 C CG . HIS 30 30 ? A 13.737 -5.666 -6.224 1.000 1 A 98.685 1 ATOM 230 N ND1 . HIS 30 30 ? A 14.705 -4.771 -5.825 1.000 1 A 98.685 1 ATOM 231 C CD2 . HIS 30 30 ? A 13.779 -6.690 -5.339 1.000 1 A 98.685 1 ATOM 232 C CE1 . HIS 30 30 ? A 15.308 -5.236 -4.744 1.000 1 A 98.685 1 ATOM 233 N NE2 . HIS 30 30 ? A 14.765 -6.399 -4.428 1.000 1 A 98.685 1 ATOM 234 N N . THR 31 31 ? A 10.788 -3.436 -9.044 1.000 1 A 98.524 1 ATOM 235 C CA . THR 31 31 ? A 9.966 -3.291 -10.239 1.000 1 A 98.524 1 ATOM 236 C C . THR 31 31 ? A 10.795 -2.759 -11.405 1.000 1 A 98.524 1 ATOM 237 O O . THR 31 31 ? A 11.569 -1.813 -11.243 1.000 1 A 98.524 1 ATOM 238 C CB . THR 31 31 ? A 8.772 -2.352 -9.985 1.000 1 A 98.524 1 ATOM 239 O OG1 . THR 31 31 ? A 7.979 -2.876 -8.913 1.000 1 A 98.524 1 ATOM 240 C CG2 . THR 31 31 ? A 7.900 -2.221 -11.230 1.000 1 A 98.524 1 ATOM 241 N N . SER 32 32 ? A 10.673 -3.374 -12.556 1.000 1 A 98.176 1 ATOM 242 C CA . SER 32 32 ? A 11.236 -2.856 -13.798 1.000 1 A 98.176 1 ATOM 243 C C . SER 32 32 ? A 10.192 -2.827 -14.909 1.000 1 A 98.176 1 ATOM 244 O O . SER 32 32 ? A 9.445 -3.791 -15.091 1.000 1 A 98.176 1 ATOM 245 C CB . SER 32 32 ? A 12.435 -3.698 -14.236 1.000 1 A 98.176 1 ATOM 246 O OG . SER 32 32 ? A 13.112 -3.084 -15.320 1.000 1 A 98.176 1 ATOM 247 N N . VAL 33 33 ? A 10.114 -1.683 -15.589 1.000 1 A 97.118 1 ATOM 248 C CA . VAL 33 33 ? A 9.149 -1.511 -16.669 1.000 1 A 97.118 1 ATOM 249 C C . VAL 33 33 ? A 9.876 -1.134 -17.958 1.000 1 A 97.118 1 ATOM 250 O O . VAL 33 33 ? A 10.591 -0.130 -18.003 1.000 1 A 97.118 1 ATOM 251 C CB . VAL 33 33 ? A 8.092 -0.439 -16.321 1.000 1 A 97.118 1 ATOM 252 C CG1 . VAL 33 33 ? A 7.037 -0.343 -17.421 1.000 1 A 97.118 1 ATOM 253 C CG2 . VAL 33 33 ? A 7.438 -0.753 -14.976 1.000 1 A 97.118 1 ATOM 254 N N . SER 34 34 ? A 9.637 -1.989 -19.019 1.000 1 A 95.414 1 ATOM 255 C CA . SER 34 34 ? A 10.178 -1.633 -20.327 1.000 1 A 95.414 1 ATOM 256 C C . SER 34 34 ? A 9.426 -0.453 -20.933 1.000 1 A 95.414 1 ATOM 257 O O . SER 34 34 ? A 8.215 -0.317 -20.742 1.000 1 A 95.414 1 ATOM 258 C CB . SER 34 34 ? A 10.117 -2.829 -21.277 1.000 1 A 95.414 1 ATOM 259 O OG . SER 34 34 ? A 8.777 -3.241 -21.482 1.000 1 A 95.414 1 ATOM 260 N N . ARG 35 35 ? A 10.188 0.469 -21.500 1.000 1 A 92.622 1 ATOM 261 C CA . ARG 35 35 ? A 9.631 1.665 -22.123 1.000 1 A 92.622 1 ATOM 262 C C . ARG 35 35 ? A 10.069 1.779 -23.579 1.000 1 A 92.622 1 ATOM 263 O O . ARG 35 35 ? A 11.086 2.408 -23.880 1.000 1 A 92.622 1 ATOM 264 C CB . ARG 35 35 ? A 10.049 2.918 -21.351 1.000 1 A 92.622 1 ATOM 265 C CG . ARG 35 35 ? A 9.561 2.946 -19.911 1.000 1 A 92.622 1 ATOM 266 C CD . ARG 35 35 ? A 10.060 4.179 -19.170 1.000 1 A 92.622 1 ATOM 267 N NE . ARG 35 35 ? A 11.500 4.119 -18.934 1.000 1 A 92.622 1 ATOM 268 C CZ . ARG 35 35 ? A 12.218 5.093 -18.383 1.000 1 A 92.622 1 ATOM 269 N NH1 . ARG 35 35 ? A 11.642 6.226 -17.998 1.000 1 A 92.622 1 ATOM 270 N NH2 . ARG 35 35 ? A 13.523 4.934 -18.215 1.000 1 A 92.622 1 ATOM 271 N N . PRO 36 36 ? A 9.253 0.996 -24.446 1.000 1 A 86.574 1 ATOM 272 C CA . PRO 36 36 ? A 9.629 1.042 -25.861 1.000 1 A 86.574 1 ATOM 273 C C . PRO 36 36 ? A 9.778 2.468 -26.386 1.000 1 A 86.574 1 ATOM 274 O O . PRO 36 36 ? A 8.890 3.300 -26.184 1.000 1 A 86.574 1 ATOM 275 C CB . PRO 36 36 ? A 8.471 0.322 -26.557 1.000 1 A 86.574 1 ATOM 276 C CG . PRO 36 36 ? A 7.840 -0.509 -25.487 1.000 1 A 86.574 1 ATOM 277 C CD . PRO 36 36 ? A 8.026 0.187 -24.170 1.000 1 A 86.574 1 ATOM 278 N N . GLY 37 37 ? A 10.932 2.768 -26.945 1.000 1 A 87.048 1 ATOM 279 C CA . GLY 37 37 ? A 11.180 4.054 -27.578 1.000 1 A 87.048 1 ATOM 280 C C . GLY 37 37 ? A 11.721 5.097 -26.619 1.000 1 A 87.048 1 ATOM 281 O O . GLY 37 37 ? A 11.995 6.231 -27.017 1.000 1 A 87.048 1 ATOM 282 N N . ARG 38 38 ? A 11.745 4.782 -25.344 1.000 1 A 85.060 1 ATOM 283 C CA . ARG 38 38 ? A 12.108 5.797 -24.361 1.000 1 A 85.060 1 ATOM 284 C C . ARG 38 38 ? A 13.405 5.430 -23.649 1.000 1 A 85.060 1 ATOM 285 O O . ARG 38 38 ? A 13.695 5.950 -22.569 1.000 1 A 85.060 1 ATOM 286 C CB . ARG 38 38 ? A 10.984 5.982 -23.339 1.000 1 A 85.060 1 ATOM 287 C CG . ARG 38 38 ? A 9.705 6.558 -23.927 1.000 1 A 85.060 1 ATOM 288 C CD . ARG 38 38 ? A 8.671 6.851 -22.850 1.000 1 A 85.060 1 ATOM 289 N NE . ARG 38 38 ? A 7.446 7.410 -23.415 1.000 1 A 85.060 1 ATOM 290 C CZ . ARG 38 38 ? A 6.364 7.732 -22.712 1.000 1 A 85.060 1 ATOM 291 N NH1 . ARG 38 38 ? A 6.334 7.555 -21.396 1.000 1 A 85.060 1 ATOM 292 N NH2 . ARG 38 38 ? A 5.304 8.234 -23.329 1.000 1 A 85.060 1 ATOM 293 N N . GLY 39 39 ? A 14.131 4.433 -24.194 1.000 1 A 87.340 1 ATOM 294 C CA . GLY 39 39 ? A 15.422 4.121 -23.603 1.000 1 A 87.340 1 ATOM 295 C C . GLY 39 39 ? A 15.373 2.939 -22.653 1.000 1 A 87.340 1 ATOM 296 O O . GLY 39 39 ? A 14.643 1.974 -22.891 1.000 1 A 87.340 1 ATOM 297 N N . GLU 40 40 ? A 16.296 3.043 -21.608 1.000 1 A 92.324 1 ATOM 298 C CA . GLU 40 40 ? A 16.450 1.968 -20.633 1.000 1 A 92.324 1 ATOM 299 C C . GLU 40 40 ? A 15.194 1.811 -19.781 1.000 1 A 92.324 1 ATOM 300 O O . GLU 40 40 ? A 14.500 2.792 -19.502 1.000 1 A 92.324 1 ATOM 301 C CB . GLU 40 40 ? A 17.664 2.225 -19.736 1.000 1 A 92.324 1 ATOM 302 C CG . GLU 40 40 ? A 18.998 2.128 -20.464 1.000 1 A 92.324 1 ATOM 303 C CD . GLU 40 40 ? A 20.197 2.209 -19.532 1.000 1 A 92.324 1 ATOM 304 O OE1 . GLU 40 40 ? A 21.340 1.997 -19.995 1.000 1 A 92.324 1 ATOM 305 O OE2 . GLU 40 40 ? A 19.991 2.487 -18.330 1.000 1 A 92.324 1 ATOM 306 N N . PRO 41 41 ? A 14.902 0.538 -19.411 1.000 1 A 96.287 1 ATOM 307 C CA . PRO 41 41 ? A 13.757 0.340 -18.518 1.000 1 A 96.287 1 ATOM 308 C C . PRO 41 41 ? A 13.891 1.109 -17.206 1.000 1 A 96.287 1 ATOM 309 O O . PRO 41 41 ? A 15.007 1.343 -16.735 1.000 1 A 96.287 1 ATOM 310 C CB . PRO 41 41 ? A 13.763 -1.171 -18.269 1.000 1 A 96.287 1 ATOM 311 C CG . PRO 41 41 ? A 14.476 -1.750 -19.447 1.000 1 A 96.287 1 ATOM 312 C CD . PRO 41 41 ? A 15.532 -0.779 -19.891 1.000 1 A 96.287 1 ATOM 313 N N . ARG 42 42 ? A 12.748 1.575 -16.680 1.000 1 A 97.014 1 ATOM 314 C CA . ARG 42 42 ? A 12.736 2.168 -15.346 1.000 1 A 97.014 1 ATOM 315 C C . ARG 42 42 ? A 12.790 1.091 -14.268 1.000 1 A 97.014 1 ATOM 316 O O . ARG 42 42 ? A 12.041 0.114 -14.321 1.000 1 A 97.014 1 ATOM 317 C CB . ARG 42 42 ? A 11.492 3.039 -15.156 1.000 1 A 97.014 1 ATOM 318 C CG . ARG 42 42 ? A 11.453 3.774 -13.826 1.000 1 A 97.014 1 ATOM 319 C CD . ARG 42 42 ? A 10.191 4.615 -13.683 1.000 1 A 97.014 1 ATOM 320 N NE . ARG 42 42 ? A 10.177 5.356 -12.426 1.000 1 A 97.014 1 ATOM 321 C CZ . ARG 42 42 ? A 9.197 6.166 -12.034 1.000 1 A 97.014 1 ATOM 322 N NH1 . ARG 42 42 ? A 8.128 6.356 -12.799 1.000 1 A 97.014 1 ATOM 323 N NH2 . ARG 42 42 ? A 9.286 6.791 -10.870 1.000 1 A 97.014 1 ATOM 324 N N . PHE 43 43 ? A 13.669 1.243 -13.342 1.000 1 A 98.300 1 ATOM 325 C CA . PHE 43 43 ? A 13.838 0.303 -12.240 1.000 1 A 98.300 1 ATOM 326 C C . PHE 43 43 ? A 13.654 1.003 -10.899 1.000 1 A 98.300 1 ATOM 327 O O . PHE 43 43 ? A 14.261 2.046 -10.649 1.000 1 A 98.300 1 ATOM 328 C CB . PHE 43 43 ? A 15.218 -0.358 -12.303 1.000 1 A 98.300 1 ATOM 329 C CG . PHE 43 43 ? A 15.490 -1.304 -11.164 1.000 1 A 98.300 1 ATOM 330 C CD1 . PHE 43 43 ? A 16.260 -0.903 -10.078 1.000 1 A 98.300 1 ATOM 331 C CD2 . PHE 43 43 ? A 14.977 -2.594 -11.179 1.000 1 A 98.300 1 ATOM 332 C CE1 . PHE 43 43 ? A 16.513 -1.776 -9.023 1.000 1 A 98.300 1 ATOM 333 C CE2 . PHE 43 43 ? A 15.226 -3.472 -10.128 1.000 1 A 98.300 1 ATOM 334 C CZ . PHE 43 43 ? A 15.995 -3.061 -9.052 1.000 1 A 98.300 1 ATOM 335 N N . ILE 44 44 ? A 12.808 0.381 -10.066 1.000 1 A 98.318 1 ATOM 336 C CA . ILE 44 44 ? A 12.539 0.892 -8.726 1.000 1 A 98.318 1 ATOM 337 C C . ILE 44 44 ? A 12.696 -0.232 -7.705 1.000 1 A 98.318 1 ATOM 338 O O . ILE 44 44 ? A 12.246 -1.356 -7.936 1.000 1 A 98.318 1 ATOM 339 C CB . ILE 44 44 ? A 11.127 1.512 -8.630 1.000 1 A 98.318 1 ATOM 340 C CG1 . ILE 44 44 ? A 10.985 2.675 -9.618 1.000 1 A 98.318 1 ATOM 341 C CG2 . ILE 44 44 ? A 10.836 1.971 -7.198 1.000 1 A 98.318 1 ATOM 342 C CD1 . ILE 44 44 ? A 9.553 3.158 -9.804 1.000 1 A 98.318 1 ATOM 343 N N . SER 45 45 ? A 13.321 0.070 -6.577 1.000 1 A 98.579 1 ATOM 344 C CA . SER 45 45 ? A 13.457 -0.845 -5.449 1.000 1 A 98.579 1 ATOM 345 C C . SER 45 45 ? A 13.110 -0.156 -4.133 1.000 1 A 98.579 1 ATOM 346 O O . SER 45 45 ? A 13.630 0.920 -3.834 1.000 1 A 98.579 1 ATOM 347 C CB . SER 45 45 ? A 14.878 -1.405 -5.381 1.000 1 A 98.579 1 ATOM 348 O OG . SER 45 45 ? A 15.006 -2.325 -4.311 1.000 1 A 98.579 1 ATOM 349 N N . VAL 46 46 ? A 12.199 -0.769 -3.415 1.000 1 A 98.617 1 ATOM 350 C CA . VAL 46 46 ? A 11.848 -0.252 -2.096 1.000 1 A 98.617 1 ATOM 351 C C . VAL 46 46 ? A 11.890 -1.383 -1.070 1.000 1 A 98.617 1 ATOM 352 O O . VAL 46 46 ? A 11.753 -2.556 -1.424 1.000 1 A 98.617 1 ATOM 353 C CB . VAL 46 46 ? A 10.453 0.413 -2.099 1.000 1 A 98.617 1 ATOM 354 C CG1 . VAL 46 46 ? A 10.419 1.591 -3.071 1.000 1 A 98.617 1 ATOM 355 C CG2 . VAL 46 46 ? A 9.376 -0.610 -2.456 1.000 1 A 98.617 1 ATOM 356 N N . GLY 47 47 ? A 12.174 -1.060 0.227 1.000 1 A 98.392 1 ATOM 357 C CA . GLY 47 47 ? A 12.216 -2.004 1.332 1.000 1 A 98.392 1 ATOM 358 C C . GLY 47 47 ? A 11.341 -1.595 2.501 1.000 1 A 98.392 1 ATOM 359 O O . GLY 47 47 ? A 11.237 -0.408 2.820 1.000 1 A 98.392 1 ATOM 360 N N . TYR 48 48 ? A 10.754 -2.640 3.096 1.000 1 A 98.312 1 ATOM 361 C CA . TYR 48 48 ? A 9.879 -2.409 4.240 1.000 1 A 98.312 1 ATOM 362 C C . TYR 48 48 ? A 10.273 -3.295 5.416 1.000 1 A 98.312 1 ATOM 363 O O . TYR 48 48 ? A 10.608 -4.467 5.232 1.000 1 A 98.312 1 ATOM 364 C CB . TYR 48 48 ? A 8.417 -2.664 3.861 1.000 1 A 98.312 1 ATOM 365 C CG . TYR 48 48 ? A 7.844 -1.629 2.923 1.000 1 A 98.312 1 ATOM 366 C CD1 . TYR 48 48 ? A 7.080 -0.569 3.407 1.000 1 A 98.312 1 ATOM 367 C CD2 . TYR 48 48 ? A 8.065 -1.709 1.552 1.000 1 A 98.312 1 ATOM 368 C CE1 . TYR 48 48 ? A 6.548 0.385 2.547 1.000 1 A 98.312 1 ATOM 369 C CE2 . TYR 48 48 ? A 7.538 -0.759 0.683 1.000 1 A 98.312 1 ATOM 370 C CZ . TYR 48 48 ? A 6.782 0.283 1.189 1.000 1 A 98.312 1 ATOM 371 O OH . TYR 48 48 ? A 6.258 1.225 0.332 1.000 1 A 98.312 1 ATOM 372 N N . VAL 49 49 ? A 10.325 -2.713 6.594 1.000 1 A 98.047 1 ATOM 373 C CA . VAL 49 49 ? A 10.196 -3.469 7.836 1.000 1 A 98.047 1 ATOM 374 C C . VAL 49 49 ? A 8.779 -3.324 8.385 1.000 1 A 98.047 1 ATOM 375 O O . VAL 49 49 ? A 8.365 -2.228 8.771 1.000 1 A 98.047 1 ATOM 376 C CB . VAL 49 49 ? A 11.226 -3.009 8.891 1.000 1 A 98.047 1 ATOM 377 C CG1 . VAL 49 49 ? A 11.085 -3.823 10.176 1.000 1 A 98.047 1 ATOM 378 C CG2 . VAL 49 49 ? A 12.645 -3.122 8.336 1.000 1 A 98.047 1 ATOM 379 N N . ASP 50 50 ? A 8.100 -4.438 8.310 1.000 1 A 95.581 1 ATOM 380 C CA . ASP 50 50 ? A 6.673 -4.414 8.616 1.000 1 A 95.581 1 ATOM 381 C C . ASP 50 50 ? A 5.935 -3.428 7.713 1.000 1 A 95.581 1 ATOM 382 O O . ASP 50 50 ? A 5.916 -3.591 6.491 1.000 1 A 95.581 1 ATOM 383 C CB . ASP 50 50 ? A 6.444 -4.055 10.085 1.000 1 A 95.581 1 ATOM 384 C CG . ASP 50 50 ? A 6.999 -5.094 11.043 1.000 1 A 95.581 1 ATOM 385 O OD1 . ASP 50 50 ? A 7.105 -6.280 10.662 1.000 1 A 95.581 1 ATOM 386 O OD2 . ASP 50 50 ? A 7.331 -4.724 12.190 1.000 1 A 95.581 1 ATOM 387 N N . ASP 51 51 ? A 5.370 -2.307 8.205 1.000 1 A 95.191 1 ATOM 388 C CA . ASP 51 51 ? A 4.577 -1.365 7.421 1.000 1 A 95.191 1 ATOM 389 C C . ASP 51 51 ? A 5.341 -0.063 7.191 1.000 1 A 95.191 1 ATOM 390 O O . ASP 51 51 ? A 4.781 0.908 6.678 1.000 1 A 95.191 1 ATOM 391 C CB . ASP 51 51 ? A 3.244 -1.078 8.115 1.000 1 A 95.191 1 ATOM 392 C CG . ASP 51 51 ? A 2.385 -2.318 8.286 1.000 1 A 95.191 1 ATOM 393 O OD1 . ASP 51 51 ? A 2.156 -3.043 7.294 1.000 1 A 95.191 1 ATOM 394 O OD2 . ASP 51 51 ? A 1.930 -2.571 9.423 1.000 1 A 95.191 1 ATOM 395 N N . THR 52 52 ? A 6.701 -0.071 7.551 1.000 1 A 96.504 1 ATOM 396 C CA . THR 52 52 ? A 7.500 1.145 7.444 1.000 1 A 96.504 1 ATOM 397 C C . THR 52 52 ? A 8.541 1.012 6.337 1.000 1 A 96.504 1 ATOM 398 O O . THR 52 52 ? A 9.421 0.151 6.404 1.000 1 A 96.504 1 ATOM 399 C CB . THR 52 52 ? A 8.201 1.473 8.775 1.000 1 A 96.504 1 ATOM 400 O OG1 . THR 52 52 ? A 7.215 1.607 9.807 1.000 1 A 96.504 1 ATOM 401 C CG2 . THR 52 52 ? A 8.994 2.771 8.674 1.000 1 A 96.504 1 ATOM 402 N N . GLN 53 53 ? A 8.471 1.891 5.396 1.000 1 A 97.185 1 ATOM 403 C CA . GLN 53 53 ? A 9.489 1.921 4.351 1.000 1 A 97.185 1 ATOM 404 C C . GLN 53 53 ? A 10.801 2.495 4.878 1.000 1 A 97.185 1 ATOM 405 O O . GLN 53 53 ? A 10.813 3.559 5.502 1.000 1 A 97.185 1 ATOM 406 C CB . GLN 53 53 ? A 9.004 2.736 3.151 1.000 1 A 97.185 1 ATOM 407 C CG . GLN 53 53 ? A 9.980 2.751 1.983 1.000 1 A 97.185 1 ATOM 408 C CD . GLN 53 53 ? A 9.486 3.585 0.816 1.000 1 A 97.185 1 ATOM 409 O OE1 . GLN 53 53 ? A 8.555 4.385 0.957 1.000 1 A 97.185 1 ATOM 410 N NE2 . GLN 53 53 ? A 10.105 3.405 -0.346 1.000 1 A 97.185 1 ATOM 411 N N . PHE 54 54 ? A 11.868 1.801 4.543 1.000 1 A 97.878 1 ATOM 412 C CA . PHE 54 54 ? A 13.105 2.323 5.111 1.000 1 A 97.878 1 ATOM 413 C C . PHE 54 54 ? A 14.118 2.628 4.014 1.000 1 A 97.878 1 ATOM 414 O O . PHE 54 54 ? A 15.090 3.351 4.243 1.000 1 A 97.878 1 ATOM 415 C CB . PHE 54 54 ? A 13.700 1.327 6.112 1.000 1 A 97.878 1 ATOM 416 C CG . PHE 54 54 ? A 14.295 0.103 5.470 1.000 1 A 97.878 1 ATOM 417 C CD1 . PHE 54 54 ? A 13.495 -0.981 5.133 1.000 1 A 97.878 1 ATOM 418 C CD2 . PHE 54 54 ? A 15.657 0.037 5.204 1.000 1 A 97.878 1 ATOM 419 C CE1 . PHE 54 54 ? A 14.044 -2.115 4.538 1.000 1 A 97.878 1 ATOM 420 C CE2 . PHE 54 54 ? A 16.212 -1.093 4.611 1.000 1 A 97.878 1 ATOM 421 C CZ . PHE 54 54 ? A 15.404 -2.168 4.280 1.000 1 A 97.878 1 ATOM 422 N N . VAL 55 55 ? A 13.835 2.168 2.797 1.000 1 A 98.048 1 ATOM 423 C CA . VAL 55 55 ? A 14.832 2.411 1.759 1.000 1 A 98.048 1 ATOM 424 C C . VAL 55 55 ? A 14.148 2.502 0.397 1.000 1 A 98.048 1 ATOM 425 O O . VAL 55 55 ? A 13.090 1.904 0.185 1.000 1 A 98.048 1 ATOM 426 C CB . VAL 55 55 ? A 15.913 1.307 1.740 1.000 1 A 98.048 1 ATOM 427 C CG1 . VAL 55 55 ? A 15.301 -0.042 1.368 1.000 1 A 98.048 1 ATOM 428 C CG2 . VAL 55 55 ? A 17.033 1.675 0.769 1.000 1 A 98.048 1 ATOM 429 N N . ARG 56 56 ? A 14.834 3.255 -0.534 1.000 1 A 97.919 1 ATOM 430 C CA . ARG 56 56 ? A 14.319 3.370 -1.894 1.000 1 A 97.919 1 ATOM 431 C C . ARG 56 56 ? A 15.449 3.612 -2.889 1.000 1 A 97.919 1 ATOM 432 O O . ARG 56 56 ? A 16.446 4.258 -2.559 1.000 1 A 97.919 1 ATOM 433 C CB . ARG 56 56 ? A 13.289 4.498 -1.986 1.000 1 A 97.919 1 ATOM 434 C CG . ARG 56 56 ? A 12.918 4.879 -3.411 1.000 1 A 97.919 1 ATOM 435 C CD . ARG 56 56 ? A 12.009 6.100 -3.450 1.000 1 A 97.919 1 ATOM 436 N NE . ARG 56 56 ? A 11.715 6.509 -4.820 1.000 1 A 97.919 1 ATOM 437 C CZ . ARG 56 56 ? A 10.571 7.058 -5.218 1.000 1 A 97.919 1 ATOM 438 N NH1 . ARG 56 56 ? A 9.585 7.274 -4.354 1.000 1 A 97.919 1 ATOM 439 N NH2 . ARG 56 56 ? A 10.409 7.393 -6.490 1.000 1 A 97.919 1 ATOM 440 N N . PHE 57 57 ? A 15.282 3.125 -4.108 1.000 1 A 98.499 1 ATOM 441 C CA . PHE 57 57 ? A 16.121 3.367 -5.276 1.000 1 A 98.499 1 ATOM 442 C C . PHE 57 57 ? A 15.268 3.556 -6.525 1.000 1 A 98.499 1 ATOM 443 O O . PHE 57 57 ? A 14.314 2.809 -6.751 1.000 1 A 98.499 1 ATOM 444 C CB . PHE 57 57 ? A 17.104 2.210 -5.482 1.000 1 A 98.499 1 ATOM 445 C CG . PHE 57 57 ? A 17.962 2.355 -6.710 1.000 1 A 98.499 1 ATOM 446 C CD1 . PHE 57 57 ? A 17.551 1.830 -7.929 1.000 1 A 98.499 1 ATOM 447 C CD2 . PHE 57 57 ? A 19.182 3.017 -6.645 1.000 1 A 98.499 1 ATOM 448 C CE1 . PHE 57 57 ? A 18.343 1.963 -9.067 1.000 1 A 98.499 1 ATOM 449 C CE2 . PHE 57 57 ? A 19.979 3.153 -7.777 1.000 1 A 98.499 1 ATOM 450 C CZ . PHE 57 57 ? A 19.559 2.625 -8.987 1.000 1 A 98.499 1 ATOM 451 N N . ASP 58 58 ? A 15.632 4.563 -7.346 1.000 1 A 97.833 1 ATOM 452 C CA . ASP 58 58 ? A 15.015 4.859 -8.636 1.000 1 A 97.833 1 ATOM 453 C C . ASP 58 58 ? A 16.065 5.262 -9.668 1.000 1 A 97.833 1 ATOM 454 O O . ASP 58 58 ? A 16.710 6.304 -9.531 1.000 1 A 97.833 1 ATOM 455 C CB . ASP 58 58 ? A 13.970 5.967 -8.489 1.000 1 A 97.833 1 ATOM 456 C CG . ASP 58 58 ? A 13.154 6.184 -9.751 1.000 1 A 97.833 1 ATOM 457 O OD1 . ASP 58 58 ? A 13.530 5.654 -10.819 1.000 1 A 97.833 1 ATOM 458 O OD2 . ASP 58 58 ? A 12.127 6.893 -9.678 1.000 1 A 97.833 1 ATOM 459 N N . ASN 59 59 ? A 16.136 4.445 -10.705 1.000 1 A 97.015 1 ATOM 460 C CA . ASN 59 59 ? A 17.190 4.731 -11.673 1.000 1 A 97.015 1 ATOM 461 C C . ASN 59 59 ? A 16.849 5.947 -12.529 1.000 1 A 97.015 1 ATOM 462 O O . ASN 59 59 ? A 17.703 6.461 -13.253 1.000 1 A 97.015 1 ATOM 463 C CB . ASN 59 59 ? A 17.448 3.512 -12.561 1.000 1 A 97.015 1 ATOM 464 C CG . ASN 59 59 ? A 16.292 3.214 -13.495 1.000 1 A 97.015 1 ATOM 465 O OD1 . ASN 59 59 ? A 15.177 3.705 -13.299 1.000 1 A 97.015 1 ATOM 466 N ND2 . ASN 59 59 ? A 16.549 2.408 -14.519 1.000 1 A 97.015 1 ATOM 467 N N . ASP 60 60 ? A 15.689 6.474 -12.420 1.000 1 A 95.064 1 ATOM 468 C CA . ASP 60 60 ? A 15.292 7.670 -13.155 1.000 1 A 95.064 1 ATOM 469 C C . ASP 60 60 ? A 15.518 8.928 -12.320 1.000 1 A 95.064 1 ATOM 470 O O . ASP 60 60 ? A 15.337 10.046 -12.809 1.000 1 A 95.064 1 ATOM 471 C CB . ASP 60 60 ? A 13.825 7.577 -13.580 1.000 1 A 95.064 1 ATOM 472 C CG . ASP 60 60 ? A 13.633 6.843 -14.895 1.000 1 A 95.064 1 ATOM 473 O OD1 . ASP 60 60 ? A 14.629 6.354 -15.472 1.000 1 A 95.064 1 ATOM 474 O OD2 . ASP 60 60 ? A 12.477 6.754 -15.361 1.000 1 A 95.064 1 ATOM 475 N N . ALA 61 61 ? A 15.810 8.707 -11.064 1.000 1 A 95.557 1 ATOM 476 C CA . ALA 61 61 ? A 16.057 9.876 -10.224 1.000 1 A 95.557 1 ATOM 477 C C . ALA 61 61 ? A 17.243 10.683 -10.743 1.000 1 A 95.557 1 ATOM 478 O O . ALA 61 61 ? A 18.125 10.141 -11.414 1.000 1 A 95.557 1 ATOM 479 C CB . ALA 61 61 ? A 16.299 9.450 -8.778 1.000 1 A 95.557 1 ATOM 480 N N . ALA 62 62 ? A 17.286 12.027 -10.528 1.000 1 A 95.130 1 ATOM 481 C CA . ALA 62 62 ? A 18.359 12.914 -10.968 1.000 1 A 95.130 1 ATOM 482 C C . ALA 62 62 ? A 19.723 12.378 -10.543 1.000 1 A 95.130 1 ATOM 483 O O . ALA 62 62 ? A 20.679 12.407 -11.322 1.000 1 A 95.130 1 ATOM 484 C CB . ALA 62 62 ? A 18.148 14.321 -10.414 1.000 1 A 95.130 1 ATOM 485 N N . SER 63 63 ? A 19.823 11.837 -9.362 1.000 1 A 94.944 1 ATOM 486 C CA . SER 63 63 ? A 21.018 11.212 -8.806 1.000 1 A 94.944 1 ATOM 487 C C . SER 63 63 ? A 20.708 9.830 -8.241 1.000 1 A 94.944 1 ATOM 488 O O . SER 63 63 ? A 20.389 9.694 -7.058 1.000 1 A 94.944 1 ATOM 489 C CB . SER 63 63 ? A 21.625 12.094 -7.713 1.000 1 A 94.944 1 ATOM 490 O OG . SER 63 63 ? A 22.842 11.542 -7.240 1.000 1 A 94.944 1 ATOM 491 N N . PRO 64 64 ? A 20.678 8.903 -9.216 1.000 1 A 96.391 1 ATOM 492 C CA . PRO 64 64 ? A 20.254 7.557 -8.826 1.000 1 A 96.391 1 ATOM 493 C C . PRO 64 64 ? A 21.167 6.932 -7.774 1.000 1 A 96.391 1 ATOM 494 O O . PRO 64 64 ? A 22.313 6.587 -8.072 1.000 1 A 96.391 1 ATOM 495 C CB . PRO 64 64 ? A 20.317 6.773 -10.139 1.000 1 A 96.391 1 ATOM 496 C CG . PRO 64 64 ? A 20.240 7.813 -11.209 1.000 1 A 96.391 1 ATOM 497 C CD . PRO 64 64 ? A 20.915 9.059 -10.713 1.000 1 A 96.391 1 ATOM 498 N N . ARG 65 65 ? A 20.643 6.865 -6.536 1.000 1 A 97.774 1 ATOM 499 C CA . ARG 65 65 ? A 21.272 6.227 -5.384 1.000 1 A 97.774 1 ATOM 500 C C . ARG 65 65 ? A 20.225 5.638 -4.445 1.000 1 A 97.774 1 ATOM 501 O O . ARG 65 65 ? A 19.059 6.036 -4.478 1.000 1 A 97.774 1 ATOM 502 C CB . ARG 65 65 ? A 22.150 7.227 -4.629 1.000 1 A 97.774 1 ATOM 503 C CG . ARG 65 65 ? A 21.388 8.417 -4.069 1.000 1 A 97.774 1 ATOM 504 C CD . ARG 65 65 ? A 22.321 9.431 -3.422 1.000 1 A 97.774 1 ATOM 505 N NE . ARG 65 65 ? A 21.594 10.603 -2.943 1.000 1 A 97.774 1 ATOM 506 C CZ . ARG 65 65 ? A 22.136 11.601 -2.251 1.000 1 A 97.774 1 ATOM 507 N NH1 . ARG 65 65 ? A 23.428 11.588 -1.942 1.000 1 A 97.774 1 ATOM 508 N NH2 . ARG 65 65 ? A 21.382 12.620 -1.864 1.000 1 A 97.774 1 ATOM 509 N N . MET 66 66 ? A 20.736 4.582 -3.754 1.000 1 A 97.823 1 ATOM 510 C CA . MET 66 66 ? A 19.899 4.106 -2.656 1.000 1 A 97.823 1 ATOM 511 C C . MET 66 66 ? A 19.820 5.145 -1.542 1.000 1 A 97.823 1 ATOM 512 O O . MET 66 66 ? A 20.847 5.641 -1.076 1.000 1 A 97.823 1 ATOM 513 C CB . MET 66 66 ? A 20.438 2.786 -2.102 1.000 1 A 97.823 1 ATOM 514 C CG . MET 66 66 ? A 19.489 2.093 -1.138 1.000 1 A 97.823 1 ATOM 515 S SD . MET 66 66 ? A 17.969 1.482 -1.964 1.000 1 A 97.823 1 ATOM 516 C CE . MET 66 66 ? A 18.663 0.123 -2.946 1.000 1 A 97.823 1 ATOM 517 N N . VAL 67 67 ? A 18.594 5.507 -1.105 1.000 1 A 96.962 1 ATOM 518 C CA . VAL 67 67 ? A 18.445 6.562 -0.108 1.000 1 A 96.962 1 ATOM 519 C C . VAL 67 67 ? A 17.553 6.073 1.032 1.000 1 A 96.962 1 ATOM 520 O O . VAL 67 67 ? A 16.665 5.244 0.821 1.000 1 A 96.962 1 ATOM 521 C CB . VAL 67 67 ? A 17.860 7.850 -0.728 1.000 1 A 96.962 1 ATOM 522 C CG1 . VAL 67 67 ? A 18.809 8.424 -1.778 1.000 1 A 96.962 1 ATOM 523 C CG2 . VAL 67 67 ? A 16.488 7.572 -1.339 1.000 1 A 96.962 1 ATOM 524 N N . PRO 68 68 ? A 17.855 6.576 2.215 1.000 1 A 97.323 1 ATOM 525 C CA . PRO 68 68 ? A 17.026 6.216 3.368 1.000 1 A 97.323 1 ATOM 526 C C . PRO 68 68 ? A 15.642 6.860 3.324 1.000 1 A 97.323 1 ATOM 527 O O . PRO 68 68 ? A 15.503 8.005 2.887 1.000 1 A 97.323 1 ATOM 528 C CB . PRO 68 68 ? A 17.833 6.738 4.559 1.000 1 A 97.323 1 ATOM 529 C CG . PRO 68 68 ? A 18.592 7.909 4.023 1.000 1 A 97.323 1 ATOM 530 C CD . PRO 68 68 ? A 18.981 7.614 2.602 1.000 1 A 97.323 1 ATOM 531 N N . ARG 69 69 ? A 14.607 6.055 3.865 1.000 1 A 95.881 1 ATOM 532 C CA . ARG 69 69 ? A 13.249 6.587 3.933 1.000 1 A 95.881 1 ATOM 533 C C . ARG 69 69 ? A 12.739 6.604 5.369 1.000 1 A 95.881 1 ATOM 534 O O . ARG 69 69 ? A 11.582 6.948 5.619 1.000 1 A 95.881 1 ATOM 535 C CB . ARG 69 69 ? A 12.305 5.767 3.051 1.000 1 A 95.881 1 ATOM 536 C CG . ARG 69 69 ? A 12.478 6.020 1.561 1.000 1 A 95.881 1 ATOM 537 C CD . ARG 69 69 ? A 12.120 7.452 1.188 1.000 1 A 95.881 1 ATOM 538 N NE . ARG 69 69 ? A 12.201 7.670 -0.254 1.000 1 A 95.881 1 ATOM 539 C CZ . ARG 69 69 ? A 11.960 8.828 -0.860 1.000 1 A 95.881 1 ATOM 540 N NH1 . ARG 69 69 ? A 11.615 9.902 -0.159 1.000 1 A 95.881 1 ATOM 541 N NH2 . ARG 69 69 ? A 12.063 8.915 -2.178 1.000 1 A 95.881 1 ATOM 542 N N . ALA 70 70 ? A 13.638 6.269 6.264 1.000 1 A 95.445 1 ATOM 543 C CA . ALA 70 70 ? A 13.358 6.337 7.696 1.000 1 A 95.445 1 ATOM 544 C C . ALA 70 70 ? A 14.517 6.982 8.451 1.000 1 A 95.445 1 ATOM 545 O O . ALA 70 70 ? A 15.683 6.757 8.121 1.000 1 A 95.445 1 ATOM 546 C CB . ALA 70 70 ? A 13.078 4.942 8.250 1.000 1 A 95.445 1 ATOM 547 N N . PRO 71 71 ? A 14.187 7.836 9.491 1.000 1 A 95.216 1 ATOM 548 C CA . PRO 71 71 ? A 15.226 8.557 10.229 1.000 1 A 95.216 1 ATOM 549 C C . PRO 71 71 ? A 16.274 7.625 10.835 1.000 1 A 95.216 1 ATOM 550 O O . PRO 71 71 ? A 17.468 7.935 10.814 1.000 1 A 95.216 1 ATOM 551 C CB . PRO 71 71 ? A 14.442 9.282 11.326 1.000 1 A 95.216 1 ATOM 552 C CG . PRO 71 71 ? A 13.084 9.503 10.741 1.000 1 A 95.216 1 ATOM 553 C CD . PRO 71 71 ? A 12.734 8.318 9.887 1.000 1 A 95.216 1 ATOM 554 N N . TRP 72 72 ? A 15.889 6.480 11.285 1.000 1 A 95.153 1 ATOM 555 C CA . TRP 72 72 ? A 16.823 5.568 11.938 1.000 1 A 95.153 1 ATOM 556 C C . TRP 72 72 ? A 17.770 4.940 10.922 1.000 1 A 95.153 1 ATOM 557 O O . TRP 72 72 ? A 18.812 4.392 11.291 1.000 1 A 95.153 1 ATOM 558 C CB . TRP 72 72 ? A 16.065 4.473 12.694 1.000 1 A 95.153 1 ATOM 559 C CG . TRP 72 72 ? A 15.026 3.772 11.872 1.000 1 A 95.153 1 ATOM 560 C CD1 . TRP 72 72 ? A 13.687 4.042 11.832 1.000 1 A 95.153 1 ATOM 561 C CD2 . TRP 72 72 ? A 15.243 2.680 10.973 1.000 1 A 95.153 1 ATOM 562 N NE1 . TRP 72 72 ? A 13.057 3.183 10.961 1.000 1 A 95.153 1 ATOM 563 C CE2 . TRP 72 72 ? A 13.988 2.338 10.421 1.000 1 A 95.153 1 ATOM 564 C CE3 . TRP 72 72 ? A 16.377 1.957 10.579 1.000 1 A 95.153 1 ATOM 565 C CZ2 . TRP 72 72 ? A 13.837 1.303 9.495 1.000 1 A 95.153 1 ATOM 566 C CZ3 . TRP 72 72 ? A 16.224 0.928 9.658 1.000 1 A 95.153 1 ATOM 567 C CH2 . TRP 72 72 ? A 14.963 0.612 9.128 1.000 1 A 95.153 1 ATOM 568 N N . MET 73 73 ? A 17.557 5.079 9.664 1.000 1 A 96.369 1 ATOM 569 C CA . MET 73 73 ? A 18.439 4.548 8.628 1.000 1 A 96.369 1 ATOM 570 C C . MET 73 73 ? A 19.477 5.586 8.212 1.000 1 A 96.369 1 ATOM 571 O O . MET 73 73 ? A 20.508 5.241 7.633 1.000 1 A 96.369 1 ATOM 572 C CB . MET 73 73 ? A 17.630 4.100 7.410 1.000 1 A 96.369 1 ATOM 573 C CG . MET 73 73 ? A 16.946 2.754 7.589 1.000 1 A 96.369 1 ATOM 574 S SD . MET 73 73 ? A 18.102 1.450 8.163 1.000 1 A 96.369 1 ATOM 575 C CE . MET 73 73 ? A 19.217 1.359 6.735 1.000 1 A 96.369 1 ATOM 576 N N . GLU 74 74 ? A 19.192 6.845 8.615 1.000 1 A 93.623 1 ATOM 577 C CA . GLU 74 74 ? A 20.102 7.923 8.237 1.000 1 A 93.623 1 ATOM 578 C C . GLU 74 74 ? A 21.430 7.809 8.979 1.000 1 A 93.623 1 ATOM 579 O O . GLU 74 74 ? A 22.440 8.366 8.544 1.000 1 A 93.623 1 ATOM 580 C CB . GLU 74 74 ? A 19.463 9.287 8.508 1.000 1 A 93.623 1 ATOM 581 C CG . GLU 74 74 ? A 18.301 9.617 7.582 1.000 1 A 93.623 1 ATOM 582 C CD . GLU 74 74 ? A 17.623 10.936 7.917 1.000 1 A 93.623 1 ATOM 583 O OE1 . GLU 74 74 ? A 16.635 11.299 7.239 1.000 1 A 93.623 1 ATOM 584 O OE2 . GLU 74 74 ? A 18.083 11.611 8.864 1.000 1 A 93.623 1 ATOM 585 N N . GLN 75 75 ? A 21.427 6.978 9.950 1.000 1 A 92.024 1 ATOM 586 C CA . GLN 75 75 ? A 22.605 6.830 10.798 1.000 1 A 92.024 1 ATOM 587 C C . GLN 75 75 ? A 23.637 5.912 10.149 1.000 1 A 92.024 1 ATOM 588 O O . GLN 75 75 ? A 24.793 5.870 10.576 1.000 1 A 92.024 1 ATOM 589 C CB . GLN 75 75 ? A 22.212 6.289 12.173 1.000 1 A 92.024 1 ATOM 590 C CG . GLN 75 75 ? A 21.574 4.907 12.131 1.000 1 A 92.024 1 ATOM 591 C CD . GLN 75 75 ? A 21.143 4.417 13.501 1.000 1 A 92.024 1 ATOM 592 O OE1 . GLN 75 75 ? A 21.174 5.168 14.481 1.000 1 A 92.024 1 ATOM 593 N NE2 . GLN 75 75 ? A 20.739 3.154 13.580 1.000 1 A 92.024 1 ATOM 594 N N . GLU 76 76 ? A 23.236 5.195 9.095 1.000 1 A 93.915 1 ATOM 595 C CA . GLU 76 76 ? A 24.182 4.324 8.404 1.000 1 A 93.915 1 ATOM 596 C C . GLU 76 76 ? A 25.222 5.136 7.638 1.000 1 A 93.915 1 ATOM 597 O O . GLU 76 76 ? A 24.938 6.245 7.181 1.000 1 A 93.915 1 ATOM 598 C CB . GLU 76 76 ? A 23.446 3.378 7.451 1.000 1 A 93.915 1 ATOM 599 C CG . GLU 76 76 ? A 22.592 2.336 8.158 1.000 1 A 93.915 1 ATOM 600 C CD . GLU 76 76 ? A 23.405 1.351 8.982 1.000 1 A 93.915 1 ATOM 601 O OE1 . GLU 76 76 ? A 22.898 0.858 10.014 1.000 1 A 93.915 1 ATOM 602 O OE2 . GLU 76 76 ? A 24.561 1.070 8.591 1.000 1 A 93.915 1 ATOM 603 N N . GLY 77 77 ? A 26.404 4.639 7.666 1.000 1 A 94.122 1 ATOM 604 C CA . GLY 77 77 ? A 27.513 5.352 7.052 1.000 1 A 94.122 1 ATOM 605 C C . GLY 77 77 ? A 27.509 5.271 5.537 1.000 1 A 94.122 1 ATOM 606 O O . GLY 77 77 ? A 26.705 4.543 4.951 1.000 1 A 94.122 1 ATOM 607 N N . SER 78 78 ? A 28.333 6.090 4.881 1.000 1 A 95.339 1 ATOM 608 C CA . SER 78 78 ? A 28.422 6.220 3.430 1.000 1 A 95.339 1 ATOM 609 C C . SER 78 78 ? A 28.797 4.893 2.778 1.000 1 A 95.339 1 ATOM 610 O O . SER 78 78 ? A 28.355 4.594 1.667 1.000 1 A 95.339 1 ATOM 611 C CB . SER 78 78 ? A 29.443 7.292 3.049 1.000 1 A 95.339 1 ATOM 612 O OG . SER 78 78 ? A 30.734 6.948 3.523 1.000 1 A 95.339 1 ATOM 613 N N . GLU 79 79 ? A 29.613 4.056 3.415 1.000 1 A 97.096 1 ATOM 614 C CA . GLU 79 79 ? A 30.011 2.767 2.857 1.000 1 A 97.096 1 ATOM 615 C C . GLU 79 79 ? A 28.804 1.854 2.662 1.000 1 A 97.096 1 ATOM 616 O O . GLU 79 79 ? A 28.698 1.166 1.645 1.000 1 A 97.096 1 ATOM 617 C CB . GLU 79 79 ? A 31.045 2.087 3.758 1.000 1 A 97.096 1 ATOM 618 C CG . GLU 79 79 ? A 31.635 0.815 3.166 1.000 1 A 97.096 1 ATOM 619 C CD . GLU 79 79 ? A 32.640 0.137 4.082 1.000 1 A 97.096 1 ATOM 620 O OE1 . GLU 79 79 ? A 33.114 -0.973 3.748 1.000 1 A 97.096 1 ATOM 621 O OE2 . GLU 79 79 ? A 32.955 0.718 5.145 1.000 1 A 97.096 1 ATOM 622 N N . TYR 80 80 ? A 27.981 1.830 3.658 1.000 1 A 96.514 1 ATOM 623 C CA . TYR 80 80 ? A 26.739 1.070 3.577 1.000 1 A 96.514 1 ATOM 624 C C . TYR 80 80 ? A 25.916 1.498 2.367 1.000 1 A 96.514 1 ATOM 625 O O . TYR 80 80 ? A 25.478 0.658 1.578 1.000 1 A 96.514 1 ATOM 626 C CB . TYR 80 80 ? A 25.916 1.245 4.856 1.000 1 A 96.514 1 ATOM 627 C CG . TYR 80 80 ? A 24.535 0.640 4.778 1.000 1 A 96.514 1 ATOM 628 C CD1 . TYR 80 80 ? A 23.438 1.407 4.392 1.000 1 A 96.514 1 ATOM 629 C CD2 . TYR 80 80 ? A 24.324 -0.699 5.089 1.000 1 A 96.514 1 ATOM 630 C CE1 . TYR 80 80 ? A 22.164 0.855 4.320 1.000 1 A 96.514 1 ATOM 631 C CE2 . TYR 80 80 ? A 23.054 -1.262 5.021 1.000 1 A 96.514 1 ATOM 632 C CZ . TYR 80 80 ? A 21.982 -0.478 4.635 1.000 1 A 96.514 1 ATOM 633 O OH . TYR 80 80 ? A 20.723 -1.031 4.566 1.000 1 A 96.514 1 ATOM 634 N N . TRP 81 81 ? A 25.767 2.756 2.193 1.000 1 A 97.216 1 ATOM 635 C CA . TRP 81 81 ? A 24.908 3.283 1.137 1.000 1 A 97.216 1 ATOM 636 C C . TRP 81 81 ? A 25.558 3.108 -0.231 1.000 1 A 97.216 1 ATOM 637 O O . TRP 81 81 ? A 24.870 2.861 -1.225 1.000 1 A 97.216 1 ATOM 638 C CB . TRP 81 81 ? A 24.599 4.762 1.384 1.000 1 A 97.216 1 ATOM 639 C CG . TRP 81 81 ? A 23.701 5.009 2.559 1.000 1 A 97.216 1 ATOM 640 C CD1 . TRP 81 81 ? A 23.999 5.720 3.688 1.000 1 A 97.216 1 ATOM 641 C CD2 . TRP 81 81 ? A 22.360 4.540 2.723 1.000 1 A 97.216 1 ATOM 642 N NE1 . TRP 81 81 ? A 22.922 5.722 4.544 1.000 1 A 97.216 1 ATOM 643 C CE2 . TRP 81 81 ? A 21.904 5.005 3.976 1.000 1 A 97.216 1 ATOM 644 C CE3 . TRP 81 81 ? A 21.497 3.771 1.930 1.000 1 A 97.216 1 ATOM 645 C CZ2 . TRP 81 81 ? A 20.622 4.726 4.455 1.000 1 A 97.216 1 ATOM 646 C CZ3 . TRP 81 81 ? A 20.222 3.494 2.408 1.000 1 A 97.216 1 ATOM 647 C CH2 . TRP 81 81 ? A 19.798 3.972 3.660 1.000 1 A 97.216 1 ATOM 648 N N . ASP 82 82 ? A 26.854 3.186 -0.285 1.000 1 A 97.889 1 ATOM 649 C CA . ASP 82 82 ? A 27.550 2.901 -1.536 1.000 1 A 97.889 1 ATOM 650 C C . ASP 82 82 ? A 27.347 1.448 -1.959 1.000 1 A 97.889 1 ATOM 651 O O . ASP 82 82 ? A 27.109 1.165 -3.135 1.000 1 A 97.889 1 ATOM 652 C CB . ASP 82 82 ? A 29.043 3.206 -1.403 1.000 1 A 97.889 1 ATOM 653 C CG . ASP 82 82 ? A 29.342 4.694 -1.350 1.000 1 A 97.889 1 ATOM 654 O OD1 . ASP 82 82 ? A 28.467 5.506 -1.723 1.000 1 A 97.889 1 ATOM 655 O OD2 . ASP 82 82 ? A 30.463 5.059 -0.935 1.000 1 A 97.889 1 ATOM 656 N N . ARG 83 83 ? A 27.447 0.583 -0.977 1.000 1 A 97.858 1 ATOM 657 C CA . ARG 83 83 ? A 27.248 -0.836 -1.249 1.000 1 A 97.858 1 ATOM 658 C C . ARG 83 83 ? A 25.820 -1.111 -1.710 1.000 1 A 97.858 1 ATOM 659 O O . ARG 83 83 ? A 25.604 -1.848 -2.674 1.000 1 A 97.858 1 ATOM 660 C CB . ARG 83 83 ? A 27.568 -1.672 -0.008 1.000 1 A 97.858 1 ATOM 661 C CG . ARG 83 83 ? A 27.446 -3.172 -0.227 1.000 1 A 97.858 1 ATOM 662 C CD . ARG 83 83 ? A 27.835 -3.957 1.018 1.000 1 A 97.858 1 ATOM 663 N NE . ARG 83 83 ? A 26.900 -3.726 2.115 1.000 1 A 97.858 1 ATOM 664 C CZ . ARG 83 83 ? A 27.225 -3.746 3.405 1.000 1 A 97.858 1 ATOM 665 N NH1 . ARG 83 83 ? A 28.474 -3.990 3.785 1.000 1 A 97.858 1 ATOM 666 N NH2 . ARG 83 83 ? A 26.295 -3.522 4.321 1.000 1 A 97.858 1 ATOM 667 N N . GLU 84 84 ? A 24.852 -0.480 -1.037 1.000 1 A 97.670 1 ATOM 668 C CA . GLU 84 84 ? A 23.448 -0.685 -1.378 1.000 1 A 97.670 1 ATOM 669 C C . GLU 84 84 ? A 23.125 -0.111 -2.755 1.000 1 A 97.670 1 ATOM 670 O O . GLU 84 84 ? A 22.341 -0.693 -3.507 1.000 1 A 97.670 1 ATOM 671 C CB . GLU 84 84 ? A 22.539 -0.054 -0.319 1.000 1 A 97.670 1 ATOM 672 C CG . GLU 84 84 ? A 22.549 -0.787 1.014 1.000 1 A 97.670 1 ATOM 673 C CD . GLU 84 84 ? A 22.115 -2.240 0.904 1.000 1 A 97.670 1 ATOM 674 O OE1 . GLU 84 84 ? A 22.921 -3.141 1.229 1.000 1 A 97.670 1 ATOM 675 O OE2 . GLU 84 84 ? A 20.959 -2.479 0.487 1.000 1 A 97.670 1 ATOM 676 N N . THR 85 85 ? A 23.774 0.959 -3.058 1.000 1 A 98.367 1 ATOM 677 C CA . THR 85 85 ? A 23.593 1.562 -4.374 1.000 1 A 98.367 1 ATOM 678 C C . THR 85 85 ? A 24.136 0.646 -5.468 1.000 1 A 98.367 1 ATOM 679 O O . THR 85 85 ? A 23.481 0.435 -6.490 1.000 1 A 98.367 1 ATOM 680 C CB . THR 85 85 ? A 24.285 2.935 -4.460 1.000 1 A 98.367 1 ATOM 681 O OG1 . THR 85 85 ? A 23.674 3.830 -3.523 1.000 1 A 98.367 1 ATOM 682 C CG2 . THR 85 85 ? A 24.165 3.524 -5.862 1.000 1 A 98.367 1 ATOM 683 N N . ARG 86 86 ? A 25.313 0.093 -5.241 1.000 1 A 98.243 1 ATOM 684 C CA . ARG 86 86 ? A 25.889 -0.842 -6.202 1.000 1 A 98.243 1 ATOM 685 C C . ARG 86 86 ? A 24.997 -2.065 -6.379 1.000 1 A 98.243 1 ATOM 686 O O . ARG 86 86 ? A 24.787 -2.530 -7.502 1.000 1 A 98.243 1 ATOM 687 C CB . ARG 86 86 ? A 27.289 -1.273 -5.759 1.000 1 A 98.243 1 ATOM 688 C CG . ARG 86 86 ? A 28.357 -0.212 -5.971 1.000 1 A 98.243 1 ATOM 689 C CD . ARG 86 86 ? A 29.759 -0.785 -5.820 1.000 1 A 98.243 1 ATOM 690 N NE . ARG 86 86 ? A 29.978 -1.332 -4.484 1.000 1 A 98.243 1 ATOM 691 C CZ . ARG 86 86 ? A 30.604 -0.697 -3.498 1.000 1 A 98.243 1 ATOM 692 N NH1 . ARG 86 86 ? A 31.088 0.527 -3.679 1.000 1 A 98.243 1 ATOM 693 N NH2 . ARG 86 86 ? A 30.747 -1.289 -2.321 1.000 1 A 98.243 1 ATOM 694 N N . SER 87 87 ? A 24.536 -2.597 -5.308 1.000 1 A 97.841 1 ATOM 695 C CA . SER 87 87 ? A 23.647 -3.753 -5.356 1.000 1 A 97.841 1 ATOM 696 C C . SER 87 87 ? A 22.391 -3.451 -6.167 1.000 1 A 97.841 1 ATOM 697 O O . SER 87 87 ? A 21.968 -4.264 -6.991 1.000 1 A 97.841 1 ATOM 698 C CB . SER 87 87 ? A 23.258 -4.189 -3.942 1.000 1 A 97.841 1 ATOM 699 O OG . SER 87 87 ? A 22.384 -5.304 -3.982 1.000 1 A 97.841 1 ATOM 700 N N . ALA 88 88 ? A 21.794 -2.274 -5.978 1.000 1 A 98.290 1 ATOM 701 C CA . ALA 88 88 ? A 20.596 -1.875 -6.711 1.000 1 A 98.290 1 ATOM 702 C C . ALA 88 88 ? A 20.884 -1.741 -8.204 1.000 1 A 98.290 1 ATOM 703 O O . ALA 88 88 ? A 20.088 -2.181 -9.037 1.000 1 A 98.290 1 ATOM 704 C CB . ALA 88 88 ? A 20.047 -0.561 -6.158 1.000 1 A 98.290 1 ATOM 705 N N . ARG 89 89 ? A 22.040 -1.234 -8.535 1.000 1 A 98.241 1 ATOM 706 C CA . ARG 89 89 ? A 22.423 -1.076 -9.934 1.000 1 A 98.241 1 ATOM 707 C C . ARG 89 89 ? A 22.622 -2.432 -10.604 1.000 1 A 98.241 1 ATOM 708 O O . ARG 89 89 ? A 22.219 -2.628 -11.752 1.000 1 A 98.241 1 ATOM 709 C CB . ARG 89 89 ? A 23.701 -0.241 -10.051 1.000 1 A 98.241 1 ATOM 710 C CG . ARG 89 89 ? A 23.496 1.239 -9.774 1.000 1 A 98.241 1 ATOM 711 C CD . ARG 89 89 ? A 24.794 2.023 -9.911 1.000 1 A 98.241 1 ATOM 712 N NE . ARG 89 89 ? A 24.607 3.436 -9.592 1.000 1 A 98.241 1 ATOM 713 C CZ . ARG 89 89 ? A 25.591 4.323 -9.476 1.000 1 A 98.241 1 ATOM 714 N NH1 . ARG 89 89 ? A 26.856 3.960 -9.651 1.000 1 A 98.241 1 ATOM 715 N NH2 . ARG 89 89 ? A 25.308 5.584 -9.182 1.000 1 A 98.241 1 ATOM 716 N N . ASP 90 90 ? A 23.244 -3.322 -9.860 1.000 1 A 98.138 1 ATOM 717 C CA . ASP 90 90 ? A 23.440 -4.673 -10.378 1.000 1 A 98.138 1 ATOM 718 C C . ASP 90 90 ? A 22.102 -5.365 -10.626 1.000 1 A 98.138 1 ATOM 719 O O . ASP 90 90 ? A 21.917 -6.020 -11.654 1.000 1 A 98.138 1 ATOM 720 C CB . ASP 90 90 ? A 24.290 -5.500 -9.411 1.000 1 A 98.138 1 ATOM 721 C CG . ASP 90 90 ? A 25.744 -5.066 -9.379 1.000 1 A 98.138 1 ATOM 722 O OD1 . ASP 90 90 ? A 26.175 -4.308 -10.276 1.000 1 A 98.138 1 ATOM 723 O OD2 . ASP 90 90 ? A 26.468 -5.487 -8.451 1.000 1 A 98.138 1 ATOM 724 N N . THR 91 91 ? A 21.200 -5.188 -9.734 1.000 1 A 98.186 1 ATOM 725 C CA . THR 91 91 ? A 19.875 -5.778 -9.886 1.000 1 A 98.186 1 ATOM 726 C C . THR 91 91 ? A 19.141 -5.162 -11.074 1.000 1 A 98.186 1 ATOM 727 O O . THR 91 91 ? A 18.453 -5.865 -11.817 1.000 1 A 98.186 1 ATOM 728 C CB . THR 91 91 ? A 19.033 -5.597 -8.609 1.000 1 A 98.186 1 ATOM 729 O OG1 . THR 91 91 ? A 19.710 -6.214 -7.507 1.000 1 A 98.186 1 ATOM 730 C CG2 . THR 91 91 ? A 17.655 -6.231 -8.764 1.000 1 A 98.186 1 ATOM 731 N N . ALA 92 92 ? A 19.273 -3.822 -11.230 1.000 1 A 98.343 1 ATOM 732 C CA . ALA 92 92 ? A 18.668 -3.142 -12.373 1.000 1 A 98.343 1 ATOM 733 C C . ALA 92 92 ? A 19.166 -3.734 -13.689 1.000 1 A 98.343 1 ATOM 734 O O . ALA 92 92 ? A 18.387 -3.918 -14.627 1.000 1 A 98.343 1 ATOM 735 C CB . ALA 92 92 ? A 18.965 -1.645 -12.320 1.000 1 A 98.343 1 ATOM 736 N N . GLN 93 93 ? A 20.426 -4.052 -13.765 1.000 1 A 97.823 1 ATOM 737 C CA . GLN 93 93 ? A 21.002 -4.650 -14.965 1.000 1 A 97.823 1 ATOM 738 C C . GLN 93 93 ? A 20.441 -6.048 -15.206 1.000 1 A 97.823 1 ATOM 739 O O . GLN 93 93 ? A 20.136 -6.413 -16.343 1.000 1 A 97.823 1 ATOM 740 C CB . GLN 93 93 ? A 22.527 -4.707 -14.858 1.000 1 A 97.823 1 ATOM 741 C CG . GLN 93 93 ? A 23.203 -3.348 -14.979 1.000 1 A 97.823 1 ATOM 742 C CD . GLN 93 93 ? A 22.841 -2.625 -16.262 1.000 1 A 97.823 1 ATOM 743 O OE1 . GLN 93 93 ? A 22.891 -3.203 -17.352 1.000 1 A 97.823 1 ATOM 744 N NE2 . GLN 93 93 ? A 22.474 -1.353 -16.142 1.000 1 A 97.823 1 ATOM 745 N N . ILE 94 94 ? A 20.292 -6.787 -14.178 1.000 1 A 97.694 1 ATOM 746 C CA . ILE 94 94 ? A 19.722 -8.127 -14.271 1.000 1 A 97.694 1 ATOM 747 C C . ILE 94 94 ? A 18.287 -8.042 -14.787 1.000 1 A 97.694 1 ATOM 748 O O . ILE 94 94 ? A 17.890 -8.811 -15.665 1.000 1 A 97.694 1 ATOM 749 C CB . ILE 94 94 ? A 19.760 -8.853 -12.908 1.000 1 A 97.694 1 ATOM 750 C CG1 . ILE 94 94 ? A 21.204 -9.199 -12.527 1.000 1 A 97.694 1 ATOM 751 C CG2 . ILE 94 94 ? A 18.886 -10.110 -12.942 1.000 1 A 97.694 1 ATOM 752 C CD1 . ILE 94 94 ? A 21.375 -9.634 -11.078 1.000 1 A 97.694 1 ATOM 753 N N . PHE 95 95 ? A 17.503 -7.094 -14.297 1.000 1 A 98.325 1 ATOM 754 C CA . PHE 95 95 ? A 16.123 -6.912 -14.730 1.000 1 A 98.325 1 ATOM 755 C C . PHE 95 95 ? A 16.064 -6.538 -16.206 1.000 1 A 98.325 1 ATOM 756 O O . PHE 95 95 ? A 15.190 -7.010 -16.937 1.000 1 A 98.325 1 ATOM 757 C CB . PHE 95 95 ? A 15.431 -5.836 -13.887 1.000 1 A 98.325 1 ATOM 758 C CG . PHE 95 95 ? A 14.713 -6.379 -12.681 1.000 1 A 98.325 1 ATOM 759 C CD1 . PHE 95 95 ? A 13.335 -6.248 -12.558 1.000 1 A 98.325 1 ATOM 760 C CD2 . PHE 95 95 ? A 15.417 -7.020 -11.669 1.000 1 A 98.325 1 ATOM 761 C CE1 . PHE 95 95 ? A 12.668 -6.749 -11.442 1.000 1 A 98.325 1 ATOM 762 C CE2 . PHE 95 95 ? A 14.757 -7.523 -10.552 1.000 1 A 98.325 1 ATOM 763 C CZ . PHE 95 95 ? A 13.383 -7.386 -10.439 1.000 1 A 98.325 1 ATOM 764 N N . ARG 96 96 ? A 16.998 -5.743 -16.574 1.000 1 A 97.072 1 ATOM 765 C CA . ARG 96 96 ? A 17.056 -5.343 -17.976 1.000 1 A 97.072 1 ATOM 766 C C . ARG 96 96 ? A 17.233 -6.556 -18.884 1.000 1 A 97.072 1 ATOM 767 O O . ARG 96 96 ? A 16.500 -6.718 -19.861 1.000 1 A 97.072 1 ATOM 768 C CB . ARG 96 96 ? A 18.195 -4.347 -18.205 1.000 1 A 97.072 1 ATOM 769 C CG . ARG 96 96 ? A 18.289 -3.836 -19.634 1.000 1 A 97.072 1 ATOM 770 C CD . ARG 96 96 ? A 19.368 -2.772 -19.783 1.000 1 A 97.072 1 ATOM 771 N NE . ARG 96 96 ? A 20.707 -3.346 -19.688 1.000 1 A 97.072 1 ATOM 772 C CZ . ARG 96 96 ? A 21.837 -2.650 -19.770 1.000 1 A 97.072 1 ATOM 773 N NH1 . ARG 96 96 ? A 21.812 -1.335 -19.950 1.000 1 A 97.072 1 ATOM 774 N NH2 . ARG 96 96 ? A 23.002 -3.274 -19.670 1.000 1 A 97.072 1 ATOM 775 N N . VAL 97 97 ? A 18.133 -7.342 -18.582 1.000 1 A 97.040 1 ATOM 776 C CA . VAL 97 97 ? A 18.401 -8.548 -19.358 1.000 1 A 97.040 1 ATOM 777 C C . VAL 97 97 ? A 17.204 -9.493 -19.274 1.000 1 A 97.040 1 ATOM 778 O O . VAL 97 97 ? A 16.764 -10.039 -20.288 1.000 1 A 97.040 1 ATOM 779 C CB . VAL 97 97 ? A 19.680 -9.264 -18.870 1.000 1 A 97.040 1 ATOM 780 C CG1 . VAL 97 97 ? A 19.828 -10.626 -19.547 1.000 1 A 97.040 1 ATOM 781 C CG2 . VAL 97 97 ? A 20.910 -8.397 -19.132 1.000 1 A 97.040 1 ATOM 782 N N . ASN 98 98 ? A 16.627 -9.624 -18.152 1.000 1 A 97.812 1 ATOM 783 C CA . ASN 98 98 ? A 15.541 -10.576 -17.945 1.000 1 A 97.812 1 ATOM 784 C C . ASN 98 98 ? A 14.259 -10.124 -18.639 1.000 1 A 97.812 1 ATOM 785 O O . ASN 98 98 ? A 13.453 -10.953 -19.063 1.000 1 A 97.812 1 ATOM 786 C CB . ASN 98 98 ? A 15.290 -10.788 -16.451 1.000 1 A 97.812 1 ATOM 787 C CG . ASN 98 98 ? A 16.333 -11.678 -15.804 1.000 1 A 97.812 1 ATOM 788 O OD1 . ASN 98 98 ? A 17.046 -12.417 -16.488 1.000 1 A 97.812 1 ATOM 789 N ND2 . ASN 98 98 ? A 16.430 -11.614 -14.482 1.000 1 A 97.812 1 ATOM 790 N N . LEU 99 99 ? A 14.047 -8.843 -18.701 1.000 1 A 97.464 1 ATOM 791 C CA . LEU 99 99 ? A 12.897 -8.354 -19.453 1.000 1 A 97.464 1 ATOM 792 C C . LEU 99 99 ? A 12.989 -8.769 -20.918 1.000 1 A 97.464 1 ATOM 793 O O . LEU 99 99 ? A 11.992 -9.180 -21.515 1.000 1 A 97.464 1 ATOM 794 C CB . LEU 99 99 ? A 12.796 -6.830 -19.348 1.000 1 A 97.464 1 ATOM 795 C CG . LEU 99 99 ? A 12.120 -6.281 -18.090 1.000 1 A 97.464 1 ATOM 796 C CD1 . LEU 99 99 ? A 12.388 -4.785 -17.955 1.000 1 A 97.464 1 ATOM 797 C CD2 . LEU 99 99 ? A 10.622 -6.560 -18.123 1.000 1 A 97.464 1 ATOM 798 N N . ARG 100 100 ? A 14.148 -8.746 -21.510 1.000 1 A 95.711 1 ATOM 799 C CA . ARG 100 100 ? A 14.371 -9.182 -22.885 1.000 1 A 95.711 1 ATOM 800 C C . ARG 100 100 ? A 14.205 -10.693 -23.014 1.000 1 A 95.711 1 ATOM 801 O O . ARG 100 100 ? A 13.577 -11.175 -23.959 1.000 1 A 95.711 1 ATOM 802 C CB . ARG 100 100 ? A 15.764 -8.765 -23.362 1.000 1 A 95.711 1 ATOM 803 C CG . ARG 100 100 ? A 15.924 -7.266 -23.559 1.000 1 A 95.711 1 ATOM 804 C CD . ARG 100 100 ? A 17.326 -6.907 -24.032 1.000 1 A 95.711 1 ATOM 805 N NE . ARG 100 100 ? A 17.593 -5.478 -23.890 1.000 1 A 95.711 1 ATOM 806 C CZ . ARG 100 100 ? A 18.764 -4.957 -23.537 1.000 1 A 95.711 1 ATOM 807 N NH1 . ARG 100 100 ? A 19.806 -5.741 -23.282 1.000 1 A 95.711 1 ATOM 808 N NH2 . ARG 100 100 ? A 18.897 -3.642 -23.438 1.000 1 A 95.711 1 ATOM 809 N N . THR 101 101 ? A 14.749 -11.369 -22.080 1.000 1 A 97.404 1 ATOM 810 C CA . THR 101 101 ? A 14.658 -12.825 -22.065 1.000 1 A 97.404 1 ATOM 811 C C . THR 101 101 ? A 13.203 -13.275 -21.987 1.000 1 A 97.404 1 ATOM 812 O O . THR 101 101 ? A 12.766 -14.121 -22.771 1.000 1 A 97.404 1 ATOM 813 C CB . THR 101 101 ? A 15.447 -13.422 -20.885 1.000 1 A 97.404 1 ATOM 814 O OG1 . THR 101 101 ? A 16.836 -13.100 -21.035 1.000 1 A 97.404 1 ATOM 815 C CG2 . THR 101 101 ? A 15.292 -14.938 -20.831 1.000 1 A 97.404 1 ATOM 816 N N . LEU 102 102 ? A 12.457 -12.680 -21.043 1.000 1 A 97.255 1 ATOM 817 C CA . LEU 102 102 ? A 11.068 -13.078 -20.847 1.000 1 A 97.255 1 ATOM 818 C C . LEU 102 102 ? A 10.217 -12.696 -22.053 1.000 1 A 97.255 1 ATOM 819 O O . LEU 102 102 ? A 9.291 -13.423 -22.421 1.000 1 A 97.255 1 ATOM 820 C CB . LEU 102 102 ? A 10.499 -12.431 -19.581 1.000 1 A 97.255 1 ATOM 821 C CG . LEU 102 102 ? A 11.060 -12.935 -18.251 1.000 1 A 97.255 1 ATOM 822 C CD1 . LEU 102 102 ? A 10.537 -12.085 -17.098 1.000 1 A 97.255 1 ATOM 823 C CD2 . LEU 102 102 ? A 10.706 -14.404 -18.043 1.000 1 A 97.255 1 ATOM 824 N N . ARG 103 103 ? A 10.496 -11.614 -22.588 1.000 1 A 95.314 1 ATOM 825 C CA . ARG 103 103 ? A 9.817 -11.251 -23.827 1.000 1 A 95.314 1 ATOM 826 C C . ARG 103 103 ? A 9.981 -12.340 -24.882 1.000 1 A 95.314 1 ATOM 827 O O . ARG 103 103 ? A 9.036 -12.657 -25.607 1.000 1 A 95.314 1 ATOM 828 C CB . ARG 103 103 ? A 10.348 -9.920 -24.362 1.000 1 A 95.314 1 ATOM 829 C CG . ARG 103 103 ? A 9.596 -9.399 -25.576 1.000 1 A 95.314 1 ATOM 830 C CD . ARG 103 103 ? A 10.168 -8.078 -26.071 1.000 1 A 95.314 1 ATOM 831 N NE . ARG 103 103 ? A 11.502 -8.248 -26.641 1.000 1 A 95.314 1 ATOM 832 C CZ . ARG 103 103 ? A 12.504 -7.385 -26.497 1.000 1 A 95.314 1 ATOM 833 N NH1 . ARG 103 103 ? A 12.342 -6.270 -25.794 1.000 1 A 95.314 1 ATOM 834 N NH2 . ARG 103 103 ? A 13.677 -7.640 -27.058 1.000 1 A 95.314 1 ATOM 835 N N . GLY 104 104 ? A 11.167 -12.868 -25.018 1.000 1 A 95.737 1 ATOM 836 C CA . GLY 104 104 ? A 11.450 -13.955 -25.942 1.000 1 A 95.737 1 ATOM 837 C C . GLY 104 104 ? A 10.714 -15.236 -25.597 1.000 1 A 95.737 1 ATOM 838 O O . GLY 104 104 ? A 10.139 -15.883 -26.475 1.000 1 A 95.737 1 ATOM 839 N N . TYR 105 105 ? A 10.671 -15.576 -24.296 1.000 1 A 96.291 1 ATOM 840 C CA . TYR 105 105 ? A 9.992 -16.795 -23.867 1.000 1 A 96.291 1 ATOM 841 C C . TYR 105 105 ? A 8.522 -16.770 -24.267 1.000 1 A 96.291 1 ATOM 842 O O . TYR 105 105 ? A 7.958 -17.798 -24.648 1.000 1 A 96.291 1 ATOM 843 C CB . TYR 105 105 ? A 10.118 -16.975 -22.351 1.000 1 A 96.291 1 ATOM 844 C CG . TYR 105 105 ? A 11.495 -17.401 -21.903 1.000 1 A 96.291 1 ATOM 845 C CD1 . TYR 105 105 ? A 12.479 -17.737 -22.831 1.000 1 A 96.291 1 ATOM 846 C CD2 . TYR 105 105 ? A 11.816 -17.471 -20.552 1.000 1 A 96.291 1 ATOM 847 C CE1 . TYR 105 105 ? A 13.748 -18.132 -22.423 1.000 1 A 96.291 1 ATOM 848 C CE2 . TYR 105 105 ? A 13.082 -17.864 -20.132 1.000 1 A 96.291 1 ATOM 849 C CZ . TYR 105 105 ? A 14.040 -18.192 -21.074 1.000 1 A 96.291 1 ATOM 850 O OH . TYR 105 105 ? A 15.296 -18.583 -20.664 1.000 1 A 96.291 1 ATOM 851 N N . TYR 106 106 ? A 8.029 -15.546 -24.256 1.000 1 A 95.343 1 ATOM 852 C CA . TYR 106 106 ? A 6.591 -15.439 -24.475 1.000 1 A 95.343 1 ATOM 853 C C . TYR 106 106 ? A 6.290 -14.924 -25.878 1.000 1 A 95.343 1 ATOM 854 O O . TYR 106 106 ? A 5.134 -14.650 -26.210 1.000 1 A 95.343 1 ATOM 855 C CB . TYR 106 106 ? A 5.956 -14.515 -23.432 1.000 1 A 95.343 1 ATOM 856 C CG . TYR 106 106 ? A 5.830 -15.140 -22.064 1.000 1 A 95.343 1 ATOM 857 C CD1 . TYR 106 106 ? A 4.740 -15.946 -21.742 1.000 1 A 95.343 1 ATOM 858 C CD2 . TYR 106 106 ? A 6.799 -14.925 -21.090 1.000 1 A 95.343 1 ATOM 859 C CE1 . TYR 106 106 ? A 4.619 -16.522 -20.482 1.000 1 A 95.343 1 ATOM 860 C CE2 . TYR 106 106 ? A 6.688 -15.496 -19.826 1.000 1 A 95.343 1 ATOM 861 C CZ . TYR 106 106 ? A 5.597 -16.292 -19.533 1.000 1 A 95.343 1 ATOM 862 O OH . TYR 106 106 ? A 5.482 -16.861 -18.284 1.000 1 A 95.343 1 ATOM 863 N N . ASN 107 107 ? A 7.264 -14.708 -26.727 1.000 1 A 94.265 1 ATOM 864 C CA . ASN 107 107 ? A 7.113 -14.269 -28.110 1.000 1 A 94.265 1 ATOM 865 C C . ASN 107 107 ? A 6.307 -12.976 -28.204 1.000 1 A 94.265 1 ATOM 866 O O . ASN 107 107 ? A 5.357 -12.887 -28.983 1.000 1 A 94.265 1 ATOM 867 C CB . ASN 107 107 ? A 6.458 -15.365 -28.953 1.000 1 A 94.265 1 ATOM 868 C CG . ASN 107 107 ? A 7.333 -16.595 -29.095 1.000 1 A 94.265 1 ATOM 869 O OD1 . ASN 107 107 ? A 8.562 -16.495 -29.145 1.000 1 A 94.265 1 ATOM 870 N ND2 . ASN 107 107 ? A 6.707 -17.764 -29.158 1.000 1 A 94.265 1 ATOM 871 N N . GLN 108 108 ? A 6.675 -12.032 -27.375 1.000 1 A 93.500 1 ATOM 872 C CA . GLN 108 108 ? A 5.983 -10.748 -27.327 1.000 1 A 93.500 1 ATOM 873 C C . GLN 108 108 ? A 6.714 -9.697 -28.158 1.000 1 A 93.500 1 ATOM 874 O O . GLN 108 108 ? A 7.906 -9.839 -28.438 1.000 1 A 93.500 1 ATOM 875 C CB . GLN 108 108 ? A 5.841 -10.268 -25.881 1.000 1 A 93.500 1 ATOM 876 C CG . GLN 108 108 ? A 4.928 -11.140 -25.031 1.000 1 A 93.500 1 ATOM 877 C CD . GLN 108 108 ? A 4.975 -10.779 -23.558 1.000 1 A 93.500 1 ATOM 878 O OE1 . GLN 108 108 ? A 6.041 -10.474 -23.014 1.000 1 A 93.500 1 ATOM 879 N NE2 . GLN 108 108 ? A 3.820 -10.811 -22.903 1.000 1 A 93.500 1 ATOM 880 N N . SER 109 109 ? A 5.969 -8.610 -28.565 1.000 1 A 90.702 1 ATOM 881 C CA . SER 109 109 ? A 6.491 -7.564 -29.439 1.000 1 A 90.702 1 ATOM 882 C C . SER 109 109 ? A 7.400 -6.607 -28.675 1.000 1 A 90.702 1 ATOM 883 O O . SER 109 109 ? A 7.212 -6.388 -27.476 1.000 1 A 90.702 1 ATOM 884 C CB . SER 109 109 ? A 5.346 -6.785 -30.087 1.000 1 A 90.702 1 ATOM 885 O OG . SER 109 109 ? A 5.823 -5.589 -30.678 1.000 1 A 90.702 1 ATOM 886 N N . GLU 110 110 ? A 8.379 -5.996 -29.394 1.000 1 A 88.666 1 ATOM 887 C CA . GLU 110 110 ? A 9.291 -4.993 -28.852 1.000 1 A 88.666 1 ATOM 888 C C . GLU 110 110 ? A 8.570 -3.674 -28.592 1.000 1 A 88.666 1 ATOM 889 O O . GLU 110 110 ? A 9.050 -2.838 -27.824 1.000 1 A 88.666 1 ATOM 890 C CB . GLU 110 110 ? A 10.471 -4.770 -29.801 1.000 1 A 88.666 1 ATOM 891 C CG . GLU 110 110 ? A 11.465 -5.921 -29.828 1.000 1 A 88.666 1 ATOM 892 C CD . GLU 110 110 ? A 12.747 -5.589 -30.575 1.000 1 A 88.666 1 ATOM 893 O OE1 . GLU 110 110 ? A 13.686 -6.418 -30.567 1.000 1 A 88.666 1 ATOM 894 O OE2 . GLU 110 110 ? A 12.814 -4.492 -31.172 1.000 1 A 88.666 1 ATOM 895 N N . ALA 111 111 ? A 7.442 -3.543 -29.226 1.000 1 A 89.208 1 ATOM 896 C CA . ALA 111 111 ? A 6.703 -2.287 -29.132 1.000 1 A 89.208 1 ATOM 897 C C . ALA 111 111 ? A 5.880 -2.230 -27.848 1.000 1 A 89.208 1 ATOM 898 O O . ALA 111 111 ? A 5.456 -1.153 -27.422 1.000 1 A 89.208 1 ATOM 899 C CB . ALA 111 111 ? A 5.797 -2.110 -30.349 1.000 1 A 89.208 1 ATOM 900 N N . GLY 112 112 ? A 5.719 -3.404 -27.261 1.000 1 A 88.801 1 ATOM 901 C CA . GLY 112 112 ? A 4.908 -3.451 -26.056 1.000 1 A 88.801 1 ATOM 902 C C . GLY 112 112 ? A 5.693 -3.141 -24.795 1.000 1 A 88.801 1 ATOM 903 O O . GLY 112 112 ? A 6.895 -3.405 -24.726 1.000 1 A 88.801 1 ATOM 904 N N . SER 113 113 ? A 5.065 -2.509 -23.770 1.000 1 A 92.635 1 ATOM 905 C CA . SER 113 113 ? A 5.640 -2.274 -22.449 1.000 1 A 92.635 1 ATOM 906 C C . SER 113 113 ? A 5.375 -3.450 -21.514 1.000 1 A 92.635 1 ATOM 907 O O . SER 113 113 ? A 4.244 -3.930 -21.418 1.000 1 A 92.635 1 ATOM 908 C CB . SER 113 113 ? A 5.077 -0.990 -21.839 1.000 1 A 92.635 1 ATOM 909 O OG . SER 113 113 ? A 5.677 -0.725 -20.583 1.000 1 A 92.635 1 ATOM 910 N N . HIS 114 114 ? A 6.426 -3.956 -20.894 1.000 1 A 95.735 1 ATOM 911 C CA . HIS 114 114 ? A 6.312 -5.123 -20.027 1.000 1 A 95.735 1 ATOM 912 C C . HIS 114 114 ? A 6.905 -4.846 -18.649 1.000 1 A 95.735 1 ATOM 913 O O . HIS 114 114 ? A 7.828 -4.039 -18.516 1.000 1 A 95.735 1 ATOM 914 C CB . HIS 114 114 ? A 7.003 -6.331 -20.662 1.000 1 A 95.735 1 ATOM 915 C CG . HIS 114 114 ? A 6.443 -6.709 -21.996 1.000 1 A 95.735 1 ATOM 916 N ND1 . HIS 114 114 ? A 5.197 -7.277 -22.147 1.000 1 A 95.735 1 ATOM 917 C CD2 . HIS 114 114 ? A 6.962 -6.596 -23.242 1.000 1 A 95.735 1 ATOM 918 C CE1 . HIS 114 114 ? A 4.973 -7.499 -23.431 1.000 1 A 95.735 1 ATOM 919 N NE2 . HIS 114 114 ? A 6.028 -7.095 -24.117 1.000 1 A 95.735 1 ATOM 920 N N . THR 115 115 ? A 6.339 -5.523 -17.639 1.000 1 A 97.525 1 ATOM 921 C CA . THR 115 115 ? A 6.709 -5.292 -16.247 1.000 1 A 97.525 1 ATOM 922 C C . THR 115 115 ? A 7.250 -6.570 -15.612 1.000 1 A 97.525 1 ATOM 923 O O . THR 115 115 ? A 6.646 -7.637 -15.740 1.000 1 A 97.525 1 ATOM 924 C CB . THR 115 115 ? A 5.511 -4.776 -15.429 1.000 1 A 97.525 1 ATOM 925 O OG1 . THR 115 115 ? A 5.031 -3.558 -16.012 1.000 1 A 97.525 1 ATOM 926 C CG2 . THR 115 115 ? A 5.908 -4.511 -13.980 1.000 1 A 97.525 1 ATOM 927 N N . LEU 116 116 ? A 8.364 -6.493 -15.004 1.000 1 A 98.494 1 ATOM 928 C CA . LEU 116 116 ? A 8.931 -7.544 -14.166 1.000 1 A 98.494 1 ATOM 929 C C . LEU 116 116 ? A 8.971 -7.112 -12.704 1.000 1 A 98.494 1 ATOM 930 O O . LEU 116 116 ? A 9.446 -6.019 -12.388 1.000 1 A 98.494 1 ATOM 931 C CB . LEU 116 116 ? A 10.341 -7.907 -14.642 1.000 1 A 98.494 1 ATOM 932 C CG . LEU 116 116 ? A 11.050 -9.021 -13.872 1.000 1 A 98.494 1 ATOM 933 C CD1 . LEU 116 116 ? A 10.211 -10.295 -13.889 1.000 1 A 98.494 1 ATOM 934 C CD2 . LEU 116 116 ? A 12.434 -9.279 -14.457 1.000 1 A 98.494 1 ATOM 935 N N . GLN 117 117 ? A 8.413 -7.993 -11.874 1.000 1 A 98.599 1 ATOM 936 C CA . GLN 117 117 ? A 8.347 -7.707 -10.444 1.000 1 A 98.599 1 ATOM 937 C C . GLN 117 117 ? A 8.975 -8.833 -9.629 1.000 1 A 98.599 1 ATOM 938 O O . GLN 117 117 ? A 8.841 -10.008 -9.977 1.000 1 A 98.599 1 ATOM 939 C CB . GLN 117 117 ? A 6.898 -7.487 -10.006 1.000 1 A 98.599 1 ATOM 940 C CG . GLN 117 117 ? A 6.220 -6.309 -10.693 1.000 1 A 98.599 1 ATOM 941 C CD . GLN 117 117 ? A 4.719 -6.289 -10.478 1.000 1 A 98.599 1 ATOM 942 O OE1 . GLN 117 117 ? A 3.951 -6.764 -11.320 1.000 1 A 98.599 1 ATOM 943 N NE2 . GLN 117 117 ? A 4.289 -5.737 -9.348 1.000 1 A 98.599 1 ATOM 944 N N . TRP 118 118 ? A 9.738 -8.451 -8.576 1.000 1 A 98.612 1 ATOM 945 C CA . TRP 118 118 ? A 10.411 -9.373 -7.667 1.000 1 A 98.612 1 ATOM 946 C C . TRP 118 118 ? A 10.195 -8.960 -6.215 1.000 1 A 98.612 1 ATOM 947 O O . TRP 118 118 ? A 10.535 -7.841 -5.823 1.000 1 A 98.612 1 ATOM 948 C CB . TRP 118 118 ? A 11.910 -9.435 -7.975 1.000 1 A 98.612 1 ATOM 949 C CG . TRP 118 118 ? A 12.689 -10.307 -7.037 1.000 1 A 98.612 1 ATOM 950 C CD1 . TRP 118 118 ? A 12.222 -11.380 -6.330 1.000 1 A 98.612 1 ATOM 951 C CD2 . TRP 118 118 ? A 14.074 -10.176 -6.701 1.000 1 A 98.612 1 ATOM 952 N NE1 . TRP 118 118 ? A 13.234 -11.925 -5.574 1.000 1 A 98.612 1 ATOM 953 C CE2 . TRP 118 118 ? A 14.380 -11.206 -5.783 1.000 1 A 98.612 1 ATOM 954 C CE3 . TRP 118 118 ? A 15.086 -9.288 -7.087 1.000 1 A 98.612 1 ATOM 955 C CZ2 . TRP 118 118 ? A 15.659 -11.371 -5.246 1.000 1 A 98.612 1 ATOM 956 C CZ3 . TRP 118 118 ? A 16.358 -9.454 -6.551 1.000 1 A 98.612 1 ATOM 957 C CH2 . TRP 118 118 ? A 16.631 -10.489 -5.641 1.000 1 A 98.612 1 ATOM 958 N N . MET 119 119 ? A 9.558 -9.928 -5.391 1.000 1 A 98.521 1 ATOM 959 C CA . MET 119 119 ? A 9.433 -9.723 -3.950 1.000 1 A 98.521 1 ATOM 960 C C . MET 119 119 ? A 10.206 -10.789 -3.180 1.000 1 A 98.521 1 ATOM 961 O O . MET 119 119 ? A 10.087 -11.980 -3.471 1.000 1 A 98.521 1 ATOM 962 C CB . MET 119 119 ? A 7.963 -9.737 -3.529 1.000 1 A 98.521 1 ATOM 963 C CG . MET 119 119 ? A 7.746 -9.459 -2.051 1.000 1 A 98.521 1 ATOM 964 S SD . MET 119 119 ? A 7.948 -10.961 -1.016 1.000 1 A 98.521 1 ATOM 965 C CE . MET 119 119 ? A 6.442 -11.866 -1.468 1.000 1 A 98.521 1 ATOM 966 N N . HIS 120 120 ? A 11.058 -10.301 -2.301 1.000 1 A 98.397 1 ATOM 967 C CA . HIS 120 120 ? A 11.747 -11.255 -1.440 1.000 1 A 98.397 1 ATOM 968 C C . HIS 120 120 ? A 11.904 -10.707 -0.025 1.000 1 A 98.397 1 ATOM 969 O O . HIS 120 120 ? A 11.837 -9.494 0.186 1.000 1 A 98.397 1 ATOM 970 C CB . HIS 120 120 ? A 13.117 -11.609 -2.021 1.000 1 A 98.397 1 ATOM 971 C CG . HIS 120 120 ? A 14.070 -10.457 -2.055 1.000 1 A 98.397 1 ATOM 972 N ND1 . HIS 120 120 ? A 14.952 -10.190 -1.030 1.000 1 A 98.397 1 ATOM 973 C CD2 . HIS 120 120 ? A 14.280 -9.504 -2.993 1.000 1 A 98.397 1 ATOM 974 C CE1 . HIS 120 120 ? A 15.664 -9.119 -1.337 1.000 1 A 98.397 1 ATOM 975 N NE2 . HIS 120 120 ? A 15.276 -8.684 -2.524 1.000 1 A 98.397 1 ATOM 976 N N . GLY 121 121 ? A 12.058 -11.657 0.947 1.000 1 A 98.315 1 ATOM 977 C CA . GLY 121 121 ? A 12.238 -11.262 2.335 1.000 1 A 98.315 1 ATOM 978 C C . GLY 121 121 ? A 11.989 -12.394 3.314 1.000 1 A 98.315 1 ATOM 979 O O . GLY 121 121 ? A 11.914 -13.559 2.917 1.000 1 A 98.315 1 ATOM 980 N N . CYS 122 122 ? A 12.053 -11.999 4.613 1.000 1 A 98.544 1 ATOM 981 C CA . CYS 122 122 ? A 11.877 -13.000 5.659 1.000 1 A 98.544 1 ATOM 982 C C . CYS 122 122 ? A 10.935 -12.493 6.745 1.000 1 A 98.544 1 ATOM 983 O O . CYS 122 122 ? A 10.635 -11.300 6.805 1.000 1 A 98.544 1 ATOM 984 C CB . CYS 122 122 ? A 13.225 -13.375 6.275 1.000 1 A 98.544 1 ATOM 985 S SG . CYS 122 122 ? A 14.058 -11.999 7.096 1.000 1 A 98.544 1 ATOM 986 N N . GLU 123 123 ? A 10.460 -13.442 7.601 1.000 1 A 97.919 1 ATOM 987 C CA . GLU 123 123 ? A 9.583 -13.139 8.728 1.000 1 A 97.919 1 ATOM 988 C C . GLU 123 123 ? A 10.077 -13.810 10.007 1.000 1 A 97.919 1 ATOM 989 O O . GLU 123 123 ? A 10.522 -14.959 9.979 1.000 1 A 97.919 1 ATOM 990 C CB . GLU 123 123 ? A 8.148 -13.576 8.425 1.000 1 A 97.919 1 ATOM 991 C CG . GLU 123 123 ? A 7.466 -12.746 7.347 1.000 1 A 97.919 1 ATOM 992 C CD . GLU 123 123 ? A 5.990 -13.071 7.184 1.000 1 A 97.919 1 ATOM 993 O OE1 . GLU 123 123 ? A 5.371 -12.601 6.202 1.000 1 A 97.919 1 ATOM 994 O OE2 . GLU 123 123 ? A 5.448 -13.799 8.044 1.000 1 A 97.919 1 ATOM 995 N N . LEU 124 124 ? A 10.022 -13.041 11.061 1.000 1 A 97.099 1 ATOM 996 C CA . LEU 124 124 ? A 10.307 -13.565 12.393 1.000 1 A 97.099 1 ATOM 997 C C . LEU 124 124 ? A 9.015 -13.847 13.153 1.000 1 A 97.099 1 ATOM 998 O O . LEU 124 124 ? A 8.056 -13.078 13.062 1.000 1 A 97.099 1 ATOM 999 C CB . LEU 124 124 ? A 11.173 -12.581 13.183 1.000 1 A 97.099 1 ATOM 1000 C CG . LEU 124 124 ? A 12.544 -12.256 12.588 1.000 1 A 97.099 1 ATOM 1001 C CD1 . LEU 124 124 ? A 13.262 -11.220 13.447 1.000 1 A 97.099 1 ATOM 1002 C CD2 . LEU 124 124 ? A 13.383 -13.522 12.454 1.000 1 A 97.099 1 ATOM 1003 N N . GLY 125 125 ? A 8.992 -14.990 13.826 1.000 1 A 94.764 1 ATOM 1004 C CA . GLY 125 125 ? A 7.872 -15.258 14.714 1.000 1 A 94.764 1 ATOM 1005 C C . GLY 125 125 ? A 7.936 -14.469 16.009 1.000 1 A 94.764 1 ATOM 1006 O O . GLY 125 125 ? A 8.881 -13.711 16.234 1.000 1 A 94.764 1 ATOM 1007 N N . PRO 126 126 ? A 6.925 -14.629 16.833 1.000 1 A 90.213 1 ATOM 1008 C CA . PRO 126 126 ? A 6.872 -13.887 18.094 1.000 1 A 90.213 1 ATOM 1009 C C . PRO 126 126 ? A 8.068 -14.174 18.999 1.000 1 A 90.213 1 ATOM 1010 O O . PRO 126 126 ? A 8.425 -13.344 19.839 1.000 1 A 90.213 1 ATOM 1011 C CB . PRO 126 126 ? A 5.572 -14.377 18.737 1.000 1 A 90.213 1 ATOM 1012 C CG . PRO 126 126 ? A 4.751 -14.889 17.598 1.000 1 A 90.213 1 ATOM 1013 C CD . PRO 126 126 ? A 5.679 -15.411 16.539 1.000 1 A 90.213 1 ATOM 1014 N N . ASP 127 127 ? A 8.659 -15.310 18.801 1.000 1 A 89.417 1 ATOM 1015 C CA . ASP 127 127 ? A 9.795 -15.680 19.639 1.000 1 A 89.417 1 ATOM 1016 C C . ASP 127 127 ? A 11.099 -15.120 19.075 1.000 1 A 89.417 1 ATOM 1017 O O . ASP 127 127 ? A 12.173 -15.350 19.634 1.000 1 A 89.417 1 ATOM 1018 C CB . ASP 127 127 ? A 9.891 -17.201 19.774 1.000 1 A 89.417 1 ATOM 1019 C CG . ASP 127 127 ? A 10.049 -17.906 18.438 1.000 1 A 89.417 1 ATOM 1020 O OD1 . ASP 127 127 ? A 10.019 -17.232 17.385 1.000 1 A 89.417 1 ATOM 1021 O OD2 . ASP 127 127 ? A 10.202 -19.146 18.437 1.000 1 A 89.417 1 ATOM 1022 N N . GLY 128 128 ? A 10.956 -14.396 17.953 1.000 1 A 90.219 1 ATOM 1023 C CA . GLY 128 128 ? A 12.130 -13.781 17.355 1.000 1 A 90.219 1 ATOM 1024 C C . GLY 128 128 ? A 12.901 -14.721 16.448 1.000 1 A 90.219 1 ATOM 1025 O O . GLY 128 128 ? A 14.015 -14.409 16.024 1.000 1 A 90.219 1 ATOM 1026 N N . ARG 129 129 ? A 12.353 -15.895 16.206 1.000 1 A 93.531 1 ATOM 1027 C CA . ARG 129 129 ? A 12.997 -16.882 15.345 1.000 1 A 93.531 1 ATOM 1028 C C . ARG 129 129 ? A 12.394 -16.863 13.945 1.000 1 A 93.531 1 ATOM 1029 O O . ARG 129 129 ? A 11.276 -16.381 13.751 1.000 1 A 93.531 1 ATOM 1030 C CB . ARG 129 129 ? A 12.878 -18.283 15.949 1.000 1 A 93.531 1 ATOM 1031 C CG . ARG 129 129 ? A 13.592 -18.442 17.282 1.000 1 A 93.531 1 ATOM 1032 C CD . ARG 129 129 ? A 13.432 -19.848 17.843 1.000 1 A 93.531 1 ATOM 1033 N NE . ARG 129 129 ? A 14.104 -19.994 19.131 1.000 1 A 93.531 1 ATOM 1034 C CZ . ARG 129 129 ? A 14.070 -21.090 19.884 1.000 1 A 93.531 1 ATOM 1035 N NH1 . ARG 129 129 ? A 13.392 -22.162 19.490 1.000 1 A 93.531 1 ATOM 1036 N NH2 . ARG 129 129 ? A 14.718 -21.115 21.039 1.000 1 A 93.531 1 ATOM 1037 N N . PHE 130 130 ? A 13.243 -17.376 13.040 1.000 1 A 96.573 1 ATOM 1038 C CA . PHE 130 130 ? A 12.836 -17.466 11.643 1.000 1 A 96.573 1 ATOM 1039 C C . PHE 130 130 ? A 11.494 -18.176 11.515 1.000 1 A 96.573 1 ATOM 1040 O O . PHE 130 130 ? A 11.314 -19.276 12.042 1.000 1 A 96.573 1 ATOM 1041 C CB . PHE 130 130 ? A 13.899 -18.200 10.819 1.000 1 A 96.573 1 ATOM 1042 C CG . PHE 130 130 ? A 13.517 -18.402 9.378 1.000 1 A 96.573 1 ATOM 1043 C CD1 . PHE 130 130 ? A 13.088 -19.644 8.925 1.000 1 A 96.573 1 ATOM 1044 C CD2 . PHE 130 130 ? A 13.588 -17.349 8.475 1.000 1 A 96.573 1 ATOM 1045 C CE1 . PHE 130 130 ? A 12.734 -19.833 7.591 1.000 1 A 96.573 1 ATOM 1046 C CE2 . PHE 130 130 ? A 13.235 -17.531 7.140 1.000 1 A 96.573 1 ATOM 1047 C CZ . PHE 130 130 ? A 12.810 -18.774 6.700 1.000 1 A 96.573 1 ATOM 1048 N N . LEU 131 131 ? A 10.553 -17.543 10.923 1.000 1 A 96.744 1 ATOM 1049 C CA . LEU 131 131 ? A 9.230 -18.113 10.696 1.000 1 A 96.744 1 ATOM 1050 C C . LEU 131 131 ? A 9.082 -18.587 9.254 1.000 1 A 96.744 1 ATOM 1051 O O . LEU 131 131 ? A 8.800 -19.761 9.007 1.000 1 A 96.744 1 ATOM 1052 C CB . LEU 131 131 ? A 8.141 -17.088 11.023 1.000 1 A 96.744 1 ATOM 1053 C CG . LEU 131 131 ? A 6.695 -17.552 10.840 1.000 1 A 96.744 1 ATOM 1054 C CD1 . LEU 131 131 ? A 6.398 -18.733 11.757 1.000 1 A 96.744 1 ATOM 1055 C CD2 . LEU 131 131 ? A 5.727 -16.405 11.105 1.000 1 A 96.744 1 ATOM 1056 N N . ARG 132 132 ? A 9.428 -17.720 8.271 1.000 1 A 97.357 1 ATOM 1057 C CA . ARG 132 132 ? A 9.330 -18.090 6.863 1.000 1 A 97.357 1 ATOM 1058 C C . ARG 132 132 ? A 10.025 -17.061 5.977 1.000 1 A 97.357 1 ATOM 1059 O O . ARG 132 132 ? A 10.281 -15.935 6.408 1.000 1 A 97.357 1 ATOM 1060 C CB . ARG 132 132 ? A 7.865 -18.236 6.445 1.000 1 A 97.357 1 ATOM 1061 C CG . ARG 132 132 ? A 7.081 -16.934 6.482 1.000 1 A 97.357 1 ATOM 1062 C CD . ARG 132 132 ? A 5.639 -17.132 6.036 1.000 1 A 97.357 1 ATOM 1063 N NE . ARG 132 132 ? A 4.864 -15.900 6.156 1.000 1 A 97.357 1 ATOM 1064 C CZ . ARG 132 132 ? A 3.580 -15.778 5.831 1.000 1 A 97.357 1 ATOM 1065 N NH1 . ARG 132 132 ? A 2.899 -16.814 5.357 1.000 1 A 97.357 1 ATOM 1066 N NH2 . ARG 132 132 ? A 2.972 -14.610 5.981 1.000 1 A 97.357 1 ATOM 1067 N N . GLY 133 133 ? A 10.388 -17.463 4.774 1.000 1 A 97.880 1 ATOM 1068 C CA . GLY 133 133 ? A 11.011 -16.638 3.751 1.000 1 A 97.880 1 ATOM 1069 C C . GLY 133 133 ? A 10.218 -16.588 2.459 1.000 1 A 97.880 1 ATOM 1070 O O . GLY 133 133 ? A 9.387 -17.462 2.201 1.000 1 A 97.880 1 ATOM 1071 N N . TYR 134 134 ? A 10.488 -15.465 1.673 1.000 1 A 96.526 1 ATOM 1072 C CA . TYR 134 134 ? A 9.780 -15.248 0.417 1.000 1 A 96.526 1 ATOM 1073 C C . TYR 134 134 ? A 10.756 -14.956 -0.717 1.000 1 A 96.526 1 ATOM 1074 O O . TYR 134 134 ? A 11.718 -14.207 -0.538 1.000 1 A 96.526 1 ATOM 1075 C CB . TYR 134 134 ? A 8.781 -14.095 0.555 1.000 1 A 96.526 1 ATOM 1076 C CG . TYR 134 134 ? A 7.879 -14.214 1.759 1.000 1 A 96.526 1 ATOM 1077 C CD1 . TYR 134 134 ? A 6.685 -14.929 1.692 1.000 1 A 96.526 1 ATOM 1078 C CD2 . TYR 134 134 ? A 8.218 -13.611 2.966 1.000 1 A 96.526 1 ATOM 1079 C CE1 . TYR 134 134 ? A 5.850 -15.040 2.799 1.000 1 A 96.526 1 ATOM 1080 C CE2 . TYR 134 134 ? A 7.390 -13.715 4.079 1.000 1 A 96.526 1 ATOM 1081 C CZ . TYR 134 134 ? A 6.211 -14.431 3.986 1.000 1 A 96.526 1 ATOM 1082 O OH . TYR 134 134 ? A 5.388 -14.537 5.085 1.000 1 A 96.526 1 ATOM 1083 N N . GLU 135 135 ? A 10.513 -15.652 -1.871 1.000 1 A 97.923 1 ATOM 1084 C CA . GLU 135 135 ? A 11.107 -15.320 -3.163 1.000 1 A 97.923 1 ATOM 1085 C C . GLU 135 135 ? A 10.121 -15.563 -4.302 1.000 1 A 97.923 1 ATOM 1086 O O . GLU 135 135 ? A 9.860 -16.711 -4.669 1.000 1 A 97.923 1 ATOM 1087 C CB . GLU 135 135 ? A 12.386 -16.130 -3.391 1.000 1 A 97.923 1 ATOM 1088 C CG . GLU 135 135 ? A 13.094 -15.805 -4.698 1.000 1 A 97.923 1 ATOM 1089 C CD . GLU 135 135 ? A 13.926 -14.534 -4.629 1.000 1 A 97.923 1 ATOM 1090 O OE1 . GLU 135 135 ? A 14.140 -13.891 -5.682 1.000 1 A 97.923 1 ATOM 1091 O OE2 . GLU 135 135 ? A 14.368 -14.179 -3.514 1.000 1 A 97.923 1 ATOM 1092 N N . GLN 136 136 ? A 9.622 -14.392 -4.795 1.000 1 A 98.230 1 ATOM 1093 C CA . GLN 136 136 ? A 8.556 -14.517 -5.783 1.000 1 A 98.230 1 ATOM 1094 C C . GLN 136 136 ? A 8.755 -13.535 -6.935 1.000 1 A 98.230 1 ATOM 1095 O O . GLN 136 136 ? A 9.104 -12.374 -6.714 1.000 1 A 98.230 1 ATOM 1096 C CB . GLN 136 136 ? A 7.191 -14.292 -5.131 1.000 1 A 98.230 1 ATOM 1097 C CG . GLN 136 136 ? A 6.897 -15.239 -3.976 1.000 1 A 98.230 1 ATOM 1098 C CD . GLN 136 136 ? A 5.605 -14.902 -3.255 1.000 1 A 98.230 1 ATOM 1099 O OE1 . GLN 136 136 ? A 4.801 -14.098 -3.736 1.000 1 A 98.230 1 ATOM 1100 N NE2 . GLN 136 136 ? A 5.397 -15.514 -2.094 1.000 1 A 98.230 1 ATOM 1101 N N . PHE 137 137 ? A 8.472 -14.034 -8.149 1.000 1 A 98.444 1 ATOM 1102 C CA . PHE 137 137 ? A 8.599 -13.225 -9.355 1.000 1 A 98.444 1 ATOM 1103 C C . PHE 137 137 ? A 7.268 -13.143 -10.094 1.000 1 A 98.444 1 ATOM 1104 O O . PHE 137 137 ? A 6.517 -14.119 -10.141 1.000 1 A 98.444 1 ATOM 1105 C CB . PHE 137 137 ? A 9.677 -13.801 -10.279 1.000 1 A 98.444 1 ATOM 1106 C CG . PHE 137 137 ? A 11.051 -13.824 -9.667 1.000 1 A 98.444 1 ATOM 1107 C CD1 . PHE 137 137 ? A 11.935 -12.771 -9.869 1.000 1 A 98.444 1 ATOM 1108 C CD2 . PHE 137 137 ? A 11.460 -14.899 -8.888 1.000 1 A 98.444 1 ATOM 1109 C CE1 . PHE 137 137 ? A 13.208 -12.790 -9.303 1.000 1 A 98.444 1 ATOM 1110 C CE2 . PHE 137 137 ? A 12.730 -14.925 -8.320 1.000 1 A 98.444 1 ATOM 1111 C CZ . PHE 137 137 ? A 13.603 -13.870 -8.529 1.000 1 A 98.444 1 ATOM 1112 N N . ALA 138 138 ? A 6.985 -11.930 -10.593 1.000 1 A 98.355 1 ATOM 1113 C CA . ALA 138 138 ? A 5.843 -11.728 -11.482 1.000 1 A 98.355 1 ATOM 1114 C C . ALA 138 138 ? A 6.279 -11.089 -12.797 1.000 1 A 98.355 1 ATOM 1115 O O . ALA 138 138 ? A 7.273 -10.360 -12.841 1.000 1 A 98.355 1 ATOM 1116 C CB . ALA 138 138 ? A 4.784 -10.866 -10.800 1.000 1 A 98.355 1 ATOM 1117 N N . TYR 139 139 ? A 5.604 -11.461 -13.882 1.000 1 A 98.067 1 ATOM 1118 C CA . TYR 139 139 ? A 5.797 -10.876 -15.204 1.000 1 A 98.067 1 ATOM 1119 C C . TYR 139 139 ? A 4.467 -10.431 -15.802 1.000 1 A 98.067 1 ATOM 1120 O O . TYR 139 139 ? A 3.536 -11.229 -15.924 1.000 1 A 98.067 1 ATOM 1121 C CB . TYR 139 139 ? A 6.482 -11.876 -16.140 1.000 1 A 98.067 1 ATOM 1122 C CG . TYR 139 139 ? A 6.786 -11.315 -17.509 1.000 1 A 98.067 1 ATOM 1123 C CD1 . TYR 139 139 ? A 6.199 -11.856 -18.650 1.000 1 A 98.067 1 ATOM 1124 C CD2 . TYR 139 139 ? A 7.661 -10.246 -17.663 1.000 1 A 98.067 1 ATOM 1125 C CE1 . TYR 139 139 ? A 6.477 -11.344 -19.913 1.000 1 A 98.067 1 ATOM 1126 C CE2 . TYR 139 139 ? A 7.947 -9.726 -18.921 1.000 1 A 98.067 1 ATOM 1127 C CZ . TYR 139 139 ? A 7.351 -10.281 -20.038 1.000 1 A 98.067 1 ATOM 1128 O OH . TYR 139 139 ? A 7.631 -9.771 -21.286 1.000 1 A 98.067 1 ATOM 1129 N N . ASP 140 140 ? A 4.362 -9.133 -16.056 1.000 1 A 96.804 1 ATOM 1130 C CA . ASP 140 140 ? A 3.179 -8.498 -16.629 1.000 1 A 96.804 1 ATOM 1131 C C . ASP 140 140 ? A 1.958 -8.705 -15.736 1.000 1 A 96.804 1 ATOM 1132 O O . ASP 140 140 ? A 0.855 -8.949 -16.231 1.000 1 A 96.804 1 ATOM 1133 C CB . ASP 140 140 ? A 2.904 -9.043 -18.032 1.000 1 A 96.804 1 ATOM 1134 C CG . ASP 140 140 ? A 3.817 -8.447 -19.089 1.000 1 A 96.804 1 ATOM 1135 O OD1 . ASP 140 140 ? A 4.491 -7.432 -18.811 1.000 1 A 96.804 1 ATOM 1136 O OD2 . ASP 140 140 ? A 3.859 -8.995 -20.212 1.000 1 A 96.804 1 ATOM 1137 N N . GLY 141 141 ? A 2.201 -8.675 -14.414 1.000 1 A 96.053 1 ATOM 1138 C CA . GLY 141 141 ? A 1.123 -8.670 -13.437 1.000 1 A 96.053 1 ATOM 1139 C C . GLY 141 141 ? A 0.683 -10.062 -13.026 1.000 1 A 96.053 1 ATOM 1140 O O . GLY 141 141 ? A -0.238 -10.215 -12.221 1.000 1 A 96.053 1 ATOM 1141 N N . LYS 142 142 ? A 1.378 -11.104 -13.596 1.000 1 A 95.726 1 ATOM 1142 C CA . LYS 142 142 ? A 1.021 -12.487 -13.293 1.000 1 A 95.726 1 ATOM 1143 C C . LYS 142 142 ? A 2.167 -13.209 -12.591 1.000 1 A 95.726 1 ATOM 1144 O O . LYS 142 142 ? A 3.337 -12.882 -12.803 1.000 1 A 95.726 1 ATOM 1145 C CB . LYS 142 142 ? A 0.635 -13.233 -14.571 1.000 1 A 95.726 1 ATOM 1146 C CG . LYS 142 142 ? A -0.610 -12.688 -15.254 1.000 1 A 95.726 1 ATOM 1147 C CD . LYS 142 142 ? A -0.940 -13.468 -16.520 1.000 1 A 95.726 1 ATOM 1148 C CE . LYS 142 142 ? A -2.168 -12.904 -17.221 1.000 1 A 95.726 1 ATOM 1149 N NZ . LYS 142 142 ? A -2.484 -13.653 -18.474 1.000 1 A 95.726 1 ATOM 1150 N N . ASP 143 143 ? A 1.742 -14.131 -11.700 1.000 1 A 97.333 1 ATOM 1151 C CA . ASP 143 143 ? A 2.779 -14.973 -11.112 1.000 1 A 97.333 1 ATOM 1152 C C . ASP 143 143 ? A 3.672 -15.579 -12.191 1.000 1 A 97.333 1 ATOM 1153 O O . ASP 143 143 ? A 3.189 -15.978 -13.253 1.000 1 A 97.333 1 ATOM 1154 C CB . ASP 143 143 ? A 2.153 -16.082 -10.263 1.000 1 A 97.333 1 ATOM 1155 C CG . ASP 143 143 ? A 1.495 -15.560 -8.998 1.000 1 A 97.333 1 ATOM 1156 O OD1 . ASP 143 143 ? A 1.952 -14.533 -8.451 1.000 1 A 97.333 1 ATOM 1157 O OD2 . ASP 143 143 ? A 0.513 -16.184 -8.540 1.000 1 A 97.333 1 ATOM 1158 N N . TYR 144 144 ? A 4.993 -15.684 -11.971 1.000 1 A 97.813 1 ATOM 1159 C CA . TYR 144 144 ? A 5.942 -16.236 -12.931 1.000 1 A 97.813 1 ATOM 1160 C C . TYR 144 144 ? A 6.720 -17.397 -12.323 1.000 1 A 97.813 1 ATOM 1161 O O . TYR 144 144 ? A 6.633 -18.529 -12.803 1.000 1 A 97.813 1 ATOM 1162 C CB . TYR 144 144 ? A 6.913 -15.152 -13.411 1.000 1 A 97.813 1 ATOM 1163 C CG . TYR 144 144 ? A 8.012 -15.674 -14.303 1.000 1 A 97.813 1 ATOM 1164 C CD1 . TYR 144 144 ? A 9.341 -15.662 -13.885 1.000 1 A 97.813 1 ATOM 1165 C CD2 . TYR 144 144 ? A 7.726 -16.180 -15.567 1.000 1 A 97.813 1 ATOM 1166 C CE1 . TYR 144 144 ? A 10.358 -16.140 -14.704 1.000 1 A 97.813 1 ATOM 1167 C CE2 . TYR 144 144 ? A 8.734 -16.661 -16.395 1.000 1 A 97.813 1 ATOM 1168 C CZ . TYR 144 144 ? A 10.045 -16.637 -15.956 1.000 1 A 97.813 1 ATOM 1169 O OH . TYR 144 144 ? A 11.048 -17.112 -16.771 1.000 1 A 97.813 1 ATOM 1170 N N . LEU 145 145 ? A 7.437 -17.229 -11.230 1.000 1 A 98.312 1 ATOM 1171 C CA . LEU 145 145 ? A 8.295 -18.187 -10.541 1.000 1 A 98.312 1 ATOM 1172 C C . LEU 145 145 ? A 8.300 -17.930 -9.038 1.000 1 A 98.312 1 ATOM 1173 O O . LEU 145 145 ? A 8.482 -16.792 -8.599 1.000 1 A 98.312 1 ATOM 1174 C CB . LEU 145 145 ? A 9.723 -18.117 -11.088 1.000 1 A 98.312 1 ATOM 1175 C CG . LEU 145 145 ? A 10.670 -19.238 -10.655 1.000 1 A 98.312 1 ATOM 1176 C CD1 . LEU 145 145 ? A 10.233 -20.566 -11.265 1.000 1 A 98.312 1 ATOM 1177 C CD2 . LEU 145 145 ? A 12.105 -18.908 -11.052 1.000 1 A 98.312 1 ATOM 1178 N N . THR 146 146 ? A 8.134 -19.001 -8.285 1.000 1 A 98.287 1 ATOM 1179 C CA . THR 146 146 ? A 8.057 -18.865 -6.835 1.000 1 A 98.287 1 ATOM 1180 C C . THR 146 146 ? A 8.913 -19.924 -6.146 1.000 1 A 98.287 1 ATOM 1181 O O . THR 146 146 ? A 8.842 -21.106 -6.488 1.000 1 A 98.287 1 ATOM 1182 C CB . THR 146 146 ? A 6.603 -18.976 -6.341 1.000 1 A 98.287 1 ATOM 1183 O OG1 . THR 146 146 ? A 5.813 -17.955 -6.964 1.000 1 A 98.287 1 ATOM 1184 C CG2 . THR 146 146 ? A 6.522 -18.811 -4.826 1.000 1 A 98.287 1 ATOM 1185 N N . LEU 147 147 ? A 9.735 -19.455 -5.203 1.000 1 A 98.257 1 ATOM 1186 C CA . LEU 147 147 ? A 10.393 -20.395 -4.303 1.000 1 A 98.257 1 ATOM 1187 C C . LEU 147 147 ? A 9.414 -20.924 -3.259 1.000 1 A 98.257 1 ATOM 1188 O O . LEU 147 147 ? A 8.842 -20.149 -2.490 1.000 1 A 98.257 1 ATOM 1189 C CB . LEU 147 147 ? A 11.585 -19.730 -3.610 1.000 1 A 98.257 1 ATOM 1190 C CG . LEU 147 147 ? A 12.418 -20.622 -2.689 1.000 1 A 98.257 1 ATOM 1191 C CD1 . LEU 147 147 ? A 13.043 -21.765 -3.481 1.000 1 A 98.257 1 ATOM 1192 C CD2 . LEU 147 147 ? A 13.494 -19.804 -1.982 1.000 1 A 98.257 1 ATOM 1193 N N . ASN 148 148 ? A 9.254 -22.214 -3.251 1.000 1 A 97.240 1 ATOM 1194 C CA . ASN 148 148 ? A 8.232 -22.831 -2.411 1.000 1 A 97.240 1 ATOM 1195 C C . ASN 148 148 ? A 8.522 -22.618 -0.928 1.000 1 A 97.240 1 ATOM 1196 O O . ASN 148 148 ? A 9.649 -22.289 -0.552 1.000 1 A 97.240 1 ATOM 1197 C CB . ASN 148 148 ? A 8.113 -24.325 -2.719 1.000 1 A 97.240 1 ATOM 1198 C CG . ASN 148 148 ? A 7.583 -24.593 -4.114 1.000 1 A 97.240 1 ATOM 1199 O OD1 . ASN 148 148 ? A 6.812 -23.800 -4.661 1.000 1 A 97.240 1 ATOM 1200 N ND2 . ASN 148 148 ? A 7.993 -25.711 -4.700 1.000 1 A 97.240 1 ATOM 1201 N N . GLU 149 149 ? A 7.559 -22.822 -0.079 1.000 1 A 94.905 1 ATOM 1202 C CA . GLU 149 149 ? A 7.620 -22.569 1.357 1.000 1 A 94.905 1 ATOM 1203 C C . GLU 149 149 ? A 8.716 -23.400 2.018 1.000 1 A 94.905 1 ATOM 1204 O O . GLU 149 149 ? A 9.309 -22.976 3.013 1.000 1 A 94.905 1 ATOM 1205 C CB . GLU 149 149 ? A 6.269 -22.864 2.013 1.000 1 A 94.905 1 ATOM 1206 C CG . GLU 149 149 ? A 5.195 -21.833 1.699 1.000 1 A 94.905 1 ATOM 1207 C CD . GLU 149 149 ? A 3.880 -22.098 2.415 1.000 1 A 94.905 1 ATOM 1208 O OE1 . GLU 149 149 ? A 2.940 -21.282 2.281 1.000 1 A 94.905 1 ATOM 1209 O OE2 . GLU 149 149 ? A 3.790 -23.130 3.117 1.000 1 A 94.905 1 ATOM 1210 N N . ASP 150 150 ? A 8.990 -24.514 1.435 1.000 1 A 95.535 1 ATOM 1211 C CA . ASP 150 150 ? A 10.028 -25.375 1.994 1.000 1 A 95.535 1 ATOM 1212 C C . ASP 150 150 ? A 11.420 -24.827 1.687 1.000 1 A 95.535 1 ATOM 1213 O O . ASP 150 150 ? A 12.419 -25.335 2.200 1.000 1 A 95.535 1 ATOM 1214 C CB . ASP 150 150 ? A 9.892 -26.800 1.454 1.000 1 A 95.535 1 ATOM 1215 C CG . ASP 150 150 ? A 10.074 -26.884 -0.051 1.000 1 A 95.535 1 ATOM 1216 O OD1 . ASP 150 150 ? A 10.445 -25.867 -0.678 1.000 1 A 95.535 1 ATOM 1217 O OD2 . ASP 150 150 ? A 9.843 -27.975 -0.616 1.000 1 A 95.535 1 ATOM 1218 N N . LEU 151 151 ? A 11.496 -23.814 0.762 1.000 1 A 97.020 1 ATOM 1219 C CA . LEU 151 151 ? A 12.701 -23.097 0.356 1.000 1 A 97.020 1 ATOM 1220 C C . LEU 151 151 ? A 13.667 -24.027 -0.370 1.000 1 A 97.020 1 ATOM 1221 O O . LEU 151 151 ? A 14.885 -23.842 -0.298 1.000 1 A 97.020 1 ATOM 1222 C CB . LEU 151 151 ? A 13.389 -22.475 1.573 1.000 1 A 97.020 1 ATOM 1223 C CG . LEU 151 151 ? A 12.562 -21.476 2.384 1.000 1 A 97.020 1 ATOM 1224 C CD1 . LEU 151 151 ? A 13.411 -20.858 3.490 1.000 1 A 97.020 1 ATOM 1225 C CD2 . LEU 151 151 ? A 11.989 -20.394 1.475 1.000 1 A 97.020 1 ATOM 1226 N N . ARG 152 152 ? A 13.136 -25.087 -0.984 1.000 1 A 95.793 1 ATOM 1227 C CA . ARG 152 152 ? A 14.006 -26.087 -1.595 1.000 1 A 95.793 1 ATOM 1228 C C . ARG 152 152 ? A 13.687 -26.258 -3.076 1.000 1 A 95.793 1 ATOM 1229 O O . ARG 152 152 ? A 14.508 -26.774 -3.837 1.000 1 A 95.793 1 ATOM 1230 C CB . ARG 152 152 ? A 13.874 -27.429 -0.872 1.000 1 A 95.793 1 ATOM 1231 C CG . ARG 152 152 ? A 14.387 -27.411 0.559 1.000 1 A 95.793 1 ATOM 1232 C CD . ARG 152 152 ? A 14.245 -28.771 1.227 1.000 1 A 95.793 1 ATOM 1233 N NE . ARG 152 152 ? A 14.700 -28.742 2.614 1.000 1 A 95.793 1 ATOM 1234 C CZ . ARG 152 152 ? A 15.947 -28.980 3.008 1.000 1 A 95.793 1 ATOM 1235 N NH1 . ARG 152 152 ? A 16.894 -29.273 2.123 1.000 1 A 95.793 1 ATOM 1236 N NH2 . ARG 152 152 ? A 16.252 -28.927 4.296 1.000 1 A 95.793 1 ATOM 1237 N N . SER 153 153 ? A 12.563 -25.844 -3.398 1.000 1 A 95.569 1 ATOM 1238 C CA . SER 153 153 ? A 12.172 -26.054 -4.788 1.000 1 A 95.569 1 ATOM 1239 C C . SER 153 153 ? A 11.398 -24.858 -5.332 1.000 1 A 95.569 1 ATOM 1240 O O . SER 153 153 ? A 10.868 -24.053 -4.563 1.000 1 A 95.569 1 ATOM 1241 C CB . SER 153 153 ? A 11.328 -27.322 -4.923 1.000 1 A 95.569 1 ATOM 1242 O OG . SER 153 153 ? A 10.146 -27.224 -4.148 1.000 1 A 95.569 1 ATOM 1243 N N . TRP 154 154 ? A 11.324 -24.846 -6.681 1.000 1 A 98.008 1 ATOM 1244 C CA . TRP 154 154 ? A 10.663 -23.757 -7.394 1.000 1 A 98.008 1 ATOM 1245 C C . TRP 154 154 ? A 9.368 -24.238 -8.041 1.000 1 A 98.008 1 ATOM 1246 O O . TRP 154 154 ? A 9.259 -25.400 -8.438 1.000 1 A 98.008 1 ATOM 1247 C CB . TRP 154 154 ? A 11.592 -23.168 -8.458 1.000 1 A 98.008 1 ATOM 1248 C CG . TRP 154 154 ? A 12.807 -22.491 -7.899 1.000 1 A 98.008 1 ATOM 1249 C CD1 . TRP 154 154 ? A 14.021 -23.062 -7.635 1.000 1 A 98.008 1 ATOM 1250 C CD2 . TRP 154 154 ? A 12.923 -21.113 -7.529 1.000 1 A 98.008 1 ATOM 1251 N NE1 . TRP 154 154 ? A 14.886 -22.122 -7.124 1.000 1 A 98.008 1 ATOM 1252 C CE2 . TRP 154 154 ? A 14.237 -20.919 -7.049 1.000 1 A 98.008 1 ATOM 1253 C CE3 . TRP 154 154 ? A 12.043 -20.024 -7.557 1.000 1 A 98.008 1 ATOM 1254 C CZ2 . TRP 154 154 ? A 14.692 -19.676 -6.600 1.000 1 A 98.008 1 ATOM 1255 C CZ3 . TRP 154 154 ? A 12.498 -18.788 -7.110 1.000 1 A 98.008 1 ATOM 1256 C CH2 . TRP 154 154 ? A 13.811 -18.627 -6.639 1.000 1 A 98.008 1 ATOM 1257 N N . THR 155 155 ? A 8.435 -23.362 -8.059 1.000 1 A 97.735 1 ATOM 1258 C CA . THR 155 155 ? A 7.202 -23.611 -8.799 1.000 1 A 97.735 1 ATOM 1259 C C . THR 155 155 ? A 7.046 -22.611 -9.941 1.000 1 A 97.735 1 ATOM 1260 O O . THR 155 155 ? A 7.070 -21.399 -9.720 1.000 1 A 97.735 1 ATOM 1261 C CB . THR 155 155 ? A 5.972 -23.536 -7.875 1.000 1 A 97.735 1 ATOM 1262 O OG1 . THR 155 155 ? A 6.071 -24.555 -6.873 1.000 1 A 97.735 1 ATOM 1263 C CG2 . THR 155 155 ? A 4.681 -23.737 -8.662 1.000 1 A 97.735 1 ATOM 1264 N N . ALA 156 156 ? A 6.992 -23.100 -11.154 1.000 1 A 98.286 1 ATOM 1265 C CA . ALA 156 156 ? A 6.733 -22.297 -12.346 1.000 1 A 98.286 1 ATOM 1266 C C . ALA 156 156 ? A 5.244 -22.278 -12.682 1.000 1 A 98.286 1 ATOM 1267 O O . ALA 156 156 ? A 4.573 -23.310 -12.612 1.000 1 A 98.286 1 ATOM 1268 C CB . ALA 156 156 ? A 7.535 -22.830 -13.531 1.000 1 A 98.286 1 ATOM 1269 N N . VAL 157 157 ? A 4.773 -21.153 -13.109 1.000 1 A 96.360 1 ATOM 1270 C CA . VAL 157 157 ? A 3.332 -21.015 -13.290 1.000 1 A 96.360 1 ATOM 1271 C C . VAL 157 157 ? A 2.923 -21.593 -14.644 1.000 1 A 96.360 1 ATOM 1272 O O . VAL 157 157 ? A 1.808 -22.096 -14.799 1.000 1 A 96.360 1 ATOM 1273 C CB . VAL 157 157 ? A 2.886 -19.539 -13.184 1.000 1 A 96.360 1 ATOM 1274 C CG1 . VAL 157 157 ? A 3.315 -18.755 -14.423 1.000 1 A 96.360 1 ATOM 1275 C CG2 . VAL 157 157 ? A 1.373 -19.453 -12.991 1.000 1 A 96.360 1 ATOM 1276 N N . ASP 158 158 ? A 3.740 -21.453 -15.692 1.000 1 A 95.670 1 ATOM 1277 C CA . ASP 158 158 ? A 3.394 -21.922 -17.030 1.000 1 A 95.670 1 ATOM 1278 C C . ASP 158 158 ? A 4.621 -22.470 -17.755 1.000 1 A 95.670 1 ATOM 1279 O O . ASP 158 158 ? A 5.693 -22.600 -17.161 1.000 1 A 95.670 1 ATOM 1280 C CB . ASP 158 158 ? A 2.760 -20.794 -17.847 1.000 1 A 95.670 1 ATOM 1281 C CG . ASP 158 158 ? A 3.654 -19.571 -17.963 1.000 1 A 95.670 1 ATOM 1282 O OD1 . ASP 158 158 ? A 4.888 -19.727 -18.083 1.000 1 A 95.670 1 ATOM 1283 O OD2 . ASP 158 158 ? A 3.119 -18.442 -17.930 1.000 1 A 95.670 1 ATOM 1284 N N . THR 159 159 ? A 4.441 -22.920 -18.981 1.000 1 A 95.726 1 ATOM 1285 C CA . THR 159 159 ? A 5.478 -23.616 -19.736 1.000 1 A 95.726 1 ATOM 1286 C C . THR 159 159 ? A 6.684 -22.708 -19.962 1.000 1 A 95.726 1 ATOM 1287 O O . THR 159 159 ? A 7.829 -23.150 -19.849 1.000 1 A 95.726 1 ATOM 1288 C CB . THR 159 159 ? A 4.944 -24.112 -21.092 1.000 1 A 95.726 1 ATOM 1289 O OG1 . THR 159 159 ? A 3.957 -25.126 -20.869 1.000 1 A 95.726 1 ATOM 1290 C CG2 . THR 159 159 ? A 6.066 -24.691 -21.947 1.000 1 A 95.726 1 ATOM 1291 N N . ALA 160 160 ? A 6.447 -21.488 -20.293 1.000 1 A 95.522 1 ATOM 1292 C CA . ALA 160 160 ? A 7.545 -20.546 -20.491 1.000 1 A 95.522 1 ATOM 1293 C C . ALA 160 160 ? A 8.348 -20.361 -19.206 1.000 1 A 95.522 1 ATOM 1294 O O . ALA 160 160 ? A 9.579 -20.291 -19.241 1.000 1 A 95.522 1 ATOM 1295 C CB . ALA 160 160 ? A 7.011 -19.201 -20.979 1.000 1 A 95.522 1 ATOM 1296 N N . ALA 161 161 ? A 7.720 -20.288 -18.076 1.000 1 A 97.804 1 ATOM 1297 C CA . ALA 161 161 ? A 8.368 -20.114 -16.779 1.000 1 A 97.804 1 ATOM 1298 C C . ALA 161 161 ? A 9.162 -21.358 -16.391 1.000 1 A 97.804 1 ATOM 1299 O O . ALA 161 161 ? A 10.091 -21.282 -15.583 1.000 1 A 97.804 1 ATOM 1300 C CB . ALA 161 161 ? A 7.331 -19.793 -15.705 1.000 1 A 97.804 1 ATOM 1301 N N . GLN 162 162 ? A 8.857 -22.541 -16.943 1.000 1 A 98.334 1 ATOM 1302 C CA . GLN 162 162 ? A 9.563 -23.784 -16.651 1.000 1 A 98.334 1 ATOM 1303 C C . GLN 162 162 ? A 11.022 -23.704 -17.090 1.000 1 A 98.334 1 ATOM 1304 O O . GLN 162 162 ? A 11.890 -24.348 -16.496 1.000 1 A 98.334 1 ATOM 1305 C CB . GLN 162 162 ? A 8.873 -24.966 -17.335 1.000 1 A 98.334 1 ATOM 1306 C CG . GLN 162 162 ? A 7.570 -25.387 -16.669 1.000 1 A 98.334 1 ATOM 1307 C CD . GLN 162 162 ? A 6.863 -26.502 -17.416 1.000 1 A 98.334 1 ATOM 1308 O OE1 . GLN 162 162 ? A 7.213 -26.824 -18.556 1.000 1 A 98.334 1 ATOM 1309 N NE2 . GLN 162 162 ? A 5.861 -27.099 -16.780 1.000 1 A 98.334 1 ATOM 1310 N N . ILE 163 163 ? A 11.241 -22.938 -18.113 1.000 1 A 97.878 1 ATOM 1311 C CA . ILE 163 163 ? A 12.614 -22.725 -18.557 1.000 1 A 97.878 1 ATOM 1312 C C . ILE 163 163 ? A 13.431 -22.104 -17.426 1.000 1 A 97.878 1 ATOM 1313 O O . ILE 163 163 ? A 14.539 -22.559 -17.131 1.000 1 A 97.878 1 ATOM 1314 C CB . ILE 163 163 ? A 12.669 -21.828 -19.814 1.000 1 A 97.878 1 ATOM 1315 C CG1 . ILE 163 163 ? A 11.913 -22.486 -20.973 1.000 1 A 97.878 1 ATOM 1316 C CG2 . ILE 163 163 ? A 14.121 -21.533 -20.203 1.000 1 A 97.878 1 ATOM 1317 C CD1 . ILE 163 163 ? A 11.692 -21.569 -22.168 1.000 1 A 97.878 1 ATOM 1318 N N . SER 164 164 ? A 12.882 -21.089 -16.823 1.000 1 A 97.745 1 ATOM 1319 C CA . SER 164 164 ? A 13.546 -20.415 -15.712 1.000 1 A 97.745 1 ATOM 1320 C C . SER 164 164 ? A 13.680 -21.338 -14.505 1.000 1 A 97.745 1 ATOM 1321 O O . SER 164 164 ? A 14.698 -21.316 -13.810 1.000 1 A 97.745 1 ATOM 1322 C CB . SER 164 164 ? A 12.778 -19.152 -15.316 1.000 1 A 97.745 1 ATOM 1323 O OG . SER 164 164 ? A 12.783 -18.208 -16.373 1.000 1 A 97.745 1 ATOM 1324 N N . GLU 165 165 ? A 12.668 -22.058 -14.241 1.000 1 A 98.168 1 ATOM 1325 C CA . GLU 165 165 ? A 12.730 -23.033 -13.157 1.000 1 A 98.168 1 ATOM 1326 C C . GLU 165 165 ? A 13.894 -24.000 -13.350 1.000 1 A 98.168 1 ATOM 1327 O O . GLU 165 165 ? A 14.675 -24.233 -12.425 1.000 1 A 98.168 1 ATOM 1328 C CB . GLU 165 165 ? A 11.414 -23.809 -13.055 1.000 1 A 98.168 1 ATOM 1329 C CG . GLU 165 165 ? A 11.392 -24.840 -11.936 1.000 1 A 98.168 1 ATOM 1330 C CD . GLU 165 165 ? A 10.197 -25.776 -12.006 1.000 1 A 98.168 1 ATOM 1331 O OE1 . GLU 165 165 ? A 9.655 -26.149 -10.941 1.000 1 A 98.168 1 ATOM 1332 O OE2 . GLU 165 165 ? A 9.799 -26.141 -13.135 1.000 1 A 98.168 1 ATOM 1333 N N . GLN 166 166 ? A 14.021 -24.557 -14.534 1.000 1 A 97.798 1 ATOM 1334 C CA . GLN 166 166 ? A 15.106 -25.484 -14.838 1.000 1 A 97.798 1 ATOM 1335 C C . GLN 166 166 ? A 16.466 -24.821 -14.644 1.000 1 A 97.798 1 ATOM 1336 O O . GLN 166 166 ? A 17.368 -25.408 -14.042 1.000 1 A 97.798 1 ATOM 1337 C CB . GLN 166 166 ? A 14.978 -26.011 -16.268 1.000 1 A 97.798 1 ATOM 1338 C CG . GLN 166 166 ? A 16.004 -27.078 -16.625 1.000 1 A 97.798 1 ATOM 1339 C CD . GLN 166 166 ? A 15.801 -27.646 -18.017 1.000 1 A 97.798 1 ATOM 1340 O OE1 . GLN 166 166 ? A 14.934 -27.189 -18.768 1.000 1 A 97.798 1 ATOM 1341 N NE2 . GLN 166 166 ? A 16.598 -28.649 -18.370 1.000 1 A 97.798 1 ATOM 1342 N N . LYS 167 167 ? A 16.586 -23.628 -15.118 1.000 1 A 96.826 1 ATOM 1343 C CA . LYS 167 167 ? A 17.833 -22.885 -14.960 1.000 1 A 96.826 1 ATOM 1344 C C . LYS 167 167 ? A 18.157 -22.661 -13.486 1.000 1 A 96.826 1 ATOM 1345 O O . LYS 167 167 ? A 19.311 -22.795 -13.072 1.000 1 A 96.826 1 ATOM 1346 C CB . LYS 167 167 ? A 17.752 -21.542 -15.689 1.000 1 A 96.826 1 ATOM 1347 C CG . LYS 167 167 ? A 17.798 -21.657 -17.205 1.000 1 A 96.826 1 ATOM 1348 C CD . LYS 167 167 ? A 17.804 -20.286 -17.870 1.000 1 A 96.826 1 ATOM 1349 C CE . LYS 167 167 ? A 17.934 -20.398 -19.383 1.000 1 A 96.826 1 ATOM 1350 N NZ . LYS 167 167 ? A 17.981 -19.055 -20.035 1.000 1 A 96.826 1 ATOM 1351 N N . SER 168 168 ? A 17.179 -22.273 -12.750 1.000 1 A 96.855 1 ATOM 1352 C CA . SER 168 168 ? A 17.357 -22.046 -11.320 1.000 1 A 96.855 1 ATOM 1353 C C . SER 168 168 ? A 17.805 -23.319 -10.609 1.000 1 A 96.855 1 ATOM 1354 O O . SER 168 168 ? A 18.696 -23.280 -9.758 1.000 1 A 96.855 1 ATOM 1355 C CB . SER 168 168 ? A 16.060 -21.532 -10.693 1.000 1 A 96.855 1 ATOM 1356 O OG . SER 168 168 ? A 15.766 -20.222 -11.147 1.000 1 A 96.855 1 ATOM 1357 N N . ASN 169 169 ? A 17.149 -24.447 -10.996 1.000 1 A 96.249 1 ATOM 1358 C CA . ASN 169 169 ? A 17.508 -25.727 -10.395 1.000 1 A 96.249 1 ATOM 1359 C C . ASN 169 169 ? A 18.940 -26.126 -10.740 1.000 1 A 96.249 1 ATOM 1360 O O . ASN 169 169 ? A 19.689 -26.579 -9.873 1.000 1 A 96.249 1 ATOM 1361 C CB . ASN 169 169 ? A 16.532 -26.820 -10.835 1.000 1 A 96.249 1 ATOM 1362 C CG . ASN 169 169 ? A 15.178 -26.697 -10.165 1.000 1 A 96.249 1 ATOM 1363 O OD1 . ASN 169 169 ? A 15.055 -26.109 -9.088 1.000 1 A 96.249 1 ATOM 1364 N ND2 . ASN 169 169 ? A 14.150 -27.251 -10.799 1.000 1 A 96.249 1 ATOM 1365 N N . ASP 170 170 ? A 19.298 -25.949 -11.991 1.000 1 A 96.006 1 ATOM 1366 C CA . ASP 170 170 ? A 20.637 -26.296 -12.458 1.000 1 A 96.006 1 ATOM 1367 C C . ASP 170 170 ? A 21.700 -25.460 -11.750 1.000 1 A 96.006 1 ATOM 1368 O O . ASP 170 170 ? A 22.798 -25.947 -11.474 1.000 1 A 96.006 1 ATOM 1369 C CB . ASP 170 170 ? A 20.742 -26.108 -13.973 1.000 1 A 96.006 1 ATOM 1370 C CG . ASP 170 170 ? A 19.953 -27.143 -14.756 1.000 1 A 96.006 1 ATOM 1371 O OD1 . ASP 170 170 ? A 19.505 -28.147 -14.160 1.000 1 A 96.006 1 ATOM 1372 O OD2 . ASP 170 170 ? A 19.780 -26.955 -15.979 1.000 1 A 96.006 1 ATOM 1373 N N . ALA 171 171 ? A 21.320 -24.267 -11.382 1.000 1 A 95.517 1 ATOM 1374 C CA . ALA 171 171 ? A 22.263 -23.352 -10.746 1.000 1 A 95.517 1 ATOM 1375 C C . ALA 171 171 ? A 22.187 -23.456 -9.225 1.000 1 A 95.517 1 ATOM 1376 O O . ALA 171 171 ? A 22.820 -22.675 -8.511 1.000 1 A 95.517 1 ATOM 1377 C CB . ALA 171 171 ? A 21.995 -21.917 -11.192 1.000 1 A 95.517 1 ATOM 1378 N N . SER 172 172 ? A 21.417 -24.321 -8.679 1.000 1 A 95.212 1 ATOM 1379 C CA . SER 172 172 ? A 21.228 -24.500 -7.243 1.000 1 A 95.212 1 ATOM 1380 C C . SER 172 172 ? A 20.848 -23.186 -6.569 1.000 1 A 95.212 1 ATOM 1381 O O . SER 172 172 ? A 21.409 -22.830 -5.530 1.000 1 A 95.212 1 ATOM 1382 C CB . SER 172 172 ? A 22.497 -25.063 -6.601 1.000 1 A 95.212 1 ATOM 1383 O OG . SER 172 172 ? A 22.809 -26.337 -7.139 1.000 1 A 95.212 1 ATOM 1384 N N . GLU 173 173 ? A 20.016 -22.434 -7.223 1.000 1 A 96.010 1 ATOM 1385 C CA . GLU 173 173 ? A 19.593 -21.121 -6.744 1.000 1 A 96.010 1 ATOM 1386 C C . GLU 173 173 ? A 18.789 -21.238 -5.452 1.000 1 A 96.010 1 ATOM 1387 O O . GLU 173 173 ? A 18.852 -20.355 -4.594 1.000 1 A 96.010 1 ATOM 1388 C CB . GLU 173 173 ? A 18.768 -20.399 -7.813 1.000 1 A 96.010 1 ATOM 1389 C CG . GLU 173 173 ? A 18.454 -18.949 -7.471 1.000 1 A 96.010 1 ATOM 1390 C CD . GLU 173 173 ? A 19.694 -18.076 -7.361 1.000 1 A 96.010 1 ATOM 1391 O OE1 . GLU 173 173 ? A 19.623 -16.997 -6.730 1.000 1 A 96.010 1 ATOM 1392 O OE2 . GLU 173 173 ? A 20.745 -18.474 -7.911 1.000 1 A 96.010 1 ATOM 1393 N N . ALA 174 174 ? A 18.038 -22.338 -5.278 1.000 1 A 97.432 1 ATOM 1394 C CA . ALA 174 174 ? A 17.244 -22.510 -4.064 1.000 1 A 97.432 1 ATOM 1395 C C . ALA 174 174 ? A 18.131 -22.502 -2.823 1.000 1 A 97.432 1 ATOM 1396 O O . ALA 174 174 ? A 17.805 -21.860 -1.822 1.000 1 A 97.432 1 ATOM 1397 C CB . ALA 174 174 ? A 16.440 -23.806 -4.132 1.000 1 A 97.432 1 ATOM 1398 N N . GLU 175 175 ? A 19.255 -23.207 -2.865 1.000 1 A 96.755 1 ATOM 1399 C CA . GLU 175 175 ? A 20.185 -23.259 -1.741 1.000 1 A 96.755 1 ATOM 1400 C C . GLU 175 175 ? A 20.748 -21.876 -1.426 1.000 1 A 96.755 1 ATOM 1401 O O . GLU 175 175 ? A 20.830 -21.484 -0.260 1.000 1 A 96.755 1 ATOM 1402 C CB . GLU 175 175 ? A 21.326 -24.237 -2.032 1.000 1 A 96.755 1 ATOM 1403 C CG . GLU 175 175 ? A 22.280 -24.434 -0.862 1.000 1 A 96.755 1 ATOM 1404 C CD . GLU 175 175 ? A 23.382 -25.442 -1.151 1.000 1 A 96.755 1 ATOM 1405 O OE1 . GLU 175 175 ? A 24.212 -25.707 -0.251 1.000 1 A 96.755 1 ATOM 1406 O OE2 . GLU 175 175 ? A 23.417 -25.968 -2.285 1.000 1 A 96.755 1 ATOM 1407 N N . HIS 176 176 ? A 21.117 -21.148 -2.462 1.000 1 A 96.122 1 ATOM 1408 C CA . HIS 176 176 ? A 21.627 -19.791 -2.298 1.000 1 A 96.122 1 ATOM 1409 C C . HIS 176 176 ? A 20.585 -18.886 -1.649 1.000 1 A 96.122 1 ATOM 1410 O O . HIS 176 176 ? A 20.897 -18.147 -0.712 1.000 1 A 96.122 1 ATOM 1411 C CB . HIS 176 176 ? A 22.056 -19.213 -3.648 1.000 1 A 96.122 1 ATOM 1412 C CG . HIS 176 176 ? A 22.536 -17.799 -3.570 1.000 1 A 96.122 1 ATOM 1413 N ND1 . HIS 176 176 ? A 23.796 -17.464 -3.123 1.000 1 A 96.122 1 ATOM 1414 C CD2 . HIS 176 176 ? A 21.923 -16.634 -3.886 1.000 1 A 96.122 1 ATOM 1415 C CE1 . HIS 176 176 ? A 23.937 -16.150 -3.167 1.000 1 A 96.122 1 ATOM 1416 N NE2 . HIS 176 176 ? A 22.815 -15.622 -3.626 1.000 1 A 96.122 1 ATOM 1417 N N . GLN 177 177 ? A 19.369 -18.980 -2.081 1.000 1 A 97.359 1 ATOM 1418 C CA . GLN 177 177 ? A 18.298 -18.145 -1.547 1.000 1 A 97.359 1 ATOM 1419 C C . GLN 177 177 ? A 17.954 -18.541 -0.114 1.000 1 A 97.359 1 ATOM 1420 O O . GLN 177 177 ? A 17.686 -17.680 0.726 1.000 1 A 97.359 1 ATOM 1421 C CB . GLN 177 177 ? A 17.052 -18.239 -2.430 1.000 1 A 97.359 1 ATOM 1422 C CG . GLN 177 177 ? A 17.234 -17.635 -3.816 1.000 1 A 97.359 1 ATOM 1423 C CD . GLN 177 177 ? A 17.715 -16.197 -3.772 1.000 1 A 97.359 1 ATOM 1424 O OE1 . GLN 177 177 ? A 17.297 -15.416 -2.911 1.000 1 A 97.359 1 ATOM 1425 N NE2 . GLN 177 177 ? A 18.595 -15.837 -4.699 1.000 1 A 97.359 1 ATOM 1426 N N . ARG 178 178 ? A 17.967 -19.788 0.136 1.000 1 A 97.751 1 ATOM 1427 C CA . ARG 178 178 ? A 17.716 -20.269 1.490 1.000 1 A 97.751 1 ATOM 1428 C C . ARG 178 178 ? A 18.733 -19.698 2.472 1.000 1 A 97.751 1 ATOM 1429 O O . ARG 178 178 ? A 18.371 -19.266 3.569 1.000 1 A 97.751 1 ATOM 1430 C CB . ARG 178 178 ? A 17.749 -21.798 1.532 1.000 1 A 97.751 1 ATOM 1431 C CG . ARG 178 178 ? A 17.409 -22.385 2.893 1.000 1 A 97.751 1 ATOM 1432 C CD . ARG 178 178 ? A 17.392 -23.907 2.863 1.000 1 A 97.751 1 ATOM 1433 N NE . ARG 178 178 ? A 18.161 -24.476 3.966 1.000 1 A 97.751 1 ATOM 1434 C CZ . ARG 178 178 ? A 18.327 -25.778 4.182 1.000 1 A 97.751 1 ATOM 1435 N NH1 . ARG 178 178 ? A 17.780 -26.675 3.370 1.000 1 A 97.751 1 ATOM 1436 N NH2 . ARG 178 178 ? A 19.047 -26.187 5.217 1.000 1 A 97.751 1 ATOM 1437 N N . ALA 179 179 ? A 20.014 -19.753 2.106 1.000 1 A 97.433 1 ATOM 1438 C CA . ALA 179 179 ? A 21.060 -19.191 2.957 1.000 1 A 97.433 1 ATOM 1439 C C . ALA 179 179 ? A 20.805 -17.713 3.236 1.000 1 A 97.433 1 ATOM 1440 O O . ALA 179 179 ? A 20.924 -17.260 4.377 1.000 1 A 97.433 1 ATOM 1441 C CB . ALA 179 179 ? A 22.430 -19.380 2.311 1.000 1 A 97.433 1 ATOM 1442 N N . TYR 180 180 ? A 20.452 -16.951 2.256 1.000 1 A 97.685 1 ATOM 1443 C CA . TYR 180 180 ? A 20.159 -15.534 2.445 1.000 1 A 97.685 1 ATOM 1444 C C . TYR 180 180 ? A 18.957 -15.343 3.362 1.000 1 A 97.685 1 ATOM 1445 O O . TYR 180 180 ? A 19.017 -14.572 4.322 1.000 1 A 97.685 1 ATOM 1446 C CB . TYR 180 180 ? A 19.901 -14.854 1.098 1.000 1 A 97.685 1 ATOM 1447 C CG . TYR 180 180 ? A 19.314 -13.469 1.220 1.000 1 A 97.685 1 ATOM 1448 C CD1 . TYR 180 180 ? A 17.946 -13.255 1.067 1.000 1 A 97.685 1 ATOM 1449 C CD2 . TYR 180 180 ? A 20.125 -12.371 1.487 1.000 1 A 97.685 1 ATOM 1450 C CE1 . TYR 180 180 ? A 17.400 -11.980 1.176 1.000 1 A 97.685 1 ATOM 1451 C CE2 . TYR 180 180 ? A 19.590 -11.092 1.599 1.000 1 A 97.685 1 ATOM 1452 C CZ . TYR 180 180 ? A 18.229 -10.907 1.443 1.000 1 A 97.685 1 ATOM 1453 O OH . TYR 180 180 ? A 17.695 -9.642 1.552 1.000 1 A 97.685 1 ATOM 1454 N N . LEU 181 181 ? A 17.841 -16.049 3.097 1.000 1 A 98.463 1 ATOM 1455 C CA . LEU 181 181 ? A 16.562 -15.823 3.761 1.000 1 A 98.463 1 ATOM 1456 C C . LEU 181 181 ? A 16.619 -16.271 5.218 1.000 1 A 98.463 1 ATOM 1457 O O . LEU 181 181 ? A 16.099 -15.588 6.103 1.000 1 A 98.463 1 ATOM 1458 C CB . LEU 181 181 ? A 15.440 -16.566 3.031 1.000 1 A 98.463 1 ATOM 1459 C CG . LEU 181 181 ? A 15.083 -16.052 1.635 1.000 1 A 98.463 1 ATOM 1460 C CD1 . LEU 181 181 ? A 14.192 -17.057 0.912 1.000 1 A 98.463 1 ATOM 1461 C CD2 . LEU 181 181 ? A 14.401 -14.691 1.724 1.000 1 A 98.463 1 ATOM 1462 N N . GLU 182 182 ? A 17.314 -17.413 5.503 1.000 1 A 97.898 1 ATOM 1463 C CA . GLU 182 182 ? A 17.353 -17.970 6.851 1.000 1 A 97.898 1 ATOM 1464 C C . GLU 182 182 ? A 18.443 -17.308 7.690 1.000 1 A 97.898 1 ATOM 1465 O O . GLU 182 182 ? A 18.397 -17.350 8.921 1.000 1 A 97.898 1 ATOM 1466 C CB . GLU 182 182 ? A 17.574 -19.484 6.802 1.000 1 A 97.898 1 ATOM 1467 C CG . GLU 182 182 ? A 16.368 -20.265 6.301 1.000 1 A 97.898 1 ATOM 1468 C CD . GLU 182 182 ? A 16.597 -21.768 6.270 1.000 1 A 97.898 1 ATOM 1469 O OE1 . GLU 182 182 ? A 15.630 -22.525 6.027 1.000 1 A 97.898 1 ATOM 1470 O OE2 . GLU 182 182 ? A 17.753 -22.192 6.492 1.000 1 A 97.898 1 ATOM 1471 N N . ASP 183 183 ? A 19.418 -16.676 7.032 1.000 1 A 97.272 1 ATOM 1472 C CA . ASP 183 183 ? A 20.543 -16.140 7.792 1.000 1 A 97.272 1 ATOM 1473 C C . ASP 183 183 ? A 20.653 -14.627 7.617 1.000 1 A 97.272 1 ATOM 1474 O O . ASP 183 183 ? A 20.309 -13.865 8.523 1.000 1 A 97.272 1 ATOM 1475 C CB . ASP 183 183 ? A 21.849 -16.815 7.367 1.000 1 A 97.272 1 ATOM 1476 C CG . ASP 183 183 ? A 21.898 -18.290 7.726 1.000 1 A 97.272 1 ATOM 1477 O OD1 . ASP 183 183 ? A 21.175 -18.717 8.652 1.000 1 A 97.272 1 ATOM 1478 O OD2 . ASP 183 183 ? A 22.670 -19.031 7.080 1.000 1 A 97.272 1 ATOM 1479 N N . THR 184 184 ? A 21.058 -14.148 6.487 1.000 1 A 97.553 1 ATOM 1480 C CA . THR 184 184 ? A 21.350 -12.738 6.251 1.000 1 A 97.553 1 ATOM 1481 C C . THR 184 184 ? A 20.102 -11.885 6.458 1.000 1 A 97.553 1 ATOM 1482 O O . THR 184 184 ? A 20.152 -10.858 7.139 1.000 1 A 97.553 1 ATOM 1483 C CB . THR 184 184 ? A 21.900 -12.512 4.830 1.000 1 A 97.553 1 ATOM 1484 O OG1 . THR 184 184 ? A 23.090 -13.291 4.655 1.000 1 A 97.553 1 ATOM 1485 C CG2 . THR 184 184 ? A 22.229 -11.042 4.595 1.000 1 A 97.553 1 ATOM 1486 N N . CYS 185 185 ? A 19.047 -12.298 5.888 1.000 1 A 98.295 1 ATOM 1487 C CA . CYS 185 185 ? A 17.801 -11.552 6.021 1.000 1 A 98.295 1 ATOM 1488 C C . CYS 185 185 ? A 17.402 -11.413 7.485 1.000 1 A 98.295 1 ATOM 1489 O O . CYS 185 185 ? A 17.091 -10.313 7.947 1.000 1 A 98.295 1 ATOM 1490 C CB . CYS 185 185 ? A 16.680 -12.238 5.241 1.000 1 A 98.295 1 ATOM 1491 S SG . CYS 185 185 ? A 15.101 -11.363 5.312 1.000 1 A 98.295 1 ATOM 1492 N N . VAL 186 186 ? A 17.449 -12.543 8.226 1.000 1 A 98.003 1 ATOM 1493 C CA . VAL 186 186 ? A 17.080 -12.571 9.637 1.000 1 A 98.003 1 ATOM 1494 C C . VAL 186 186 ? A 18.011 -11.658 10.433 1.000 1 A 98.003 1 ATOM 1495 O O . VAL 186 186 ? A 17.557 -10.884 11.279 1.000 1 A 98.003 1 ATOM 1496 C CB . VAL 186 186 ? A 17.125 -14.006 10.207 1.000 1 A 98.003 1 ATOM 1497 C CG1 . VAL 186 186 ? A 16.982 -13.988 11.728 1.000 1 A 98.003 1 ATOM 1498 C CG2 . VAL 186 186 ? A 16.032 -14.865 9.575 1.000 1 A 98.003 1 ATOM 1499 N N . GLU 187 187 ? A 19.291 -11.716 10.128 1.000 1 A 97.562 1 ATOM 1500 C CA . GLU 187 187 ? A 20.272 -10.862 10.790 1.000 1 A 97.562 1 ATOM 1501 C C . GLU 187 187 ? A 19.947 -9.385 10.584 1.000 1 A 97.562 1 ATOM 1502 O O . GLU 187 187 ? A 19.952 -8.604 11.537 1.000 1 A 97.562 1 ATOM 1503 C CB . GLU 187 187 ? A 21.682 -11.166 10.280 1.000 1 A 97.562 1 ATOM 1504 C CG . GLU 187 187 ? A 22.767 -10.316 10.925 1.000 1 A 97.562 1 ATOM 1505 C CD . GLU 187 187 ? A 24.154 -10.588 10.367 1.000 1 A 97.562 1 ATOM 1506 O OE1 . GLU 187 187 ? A 25.072 -9.766 10.592 1.000 1 A 97.562 1 ATOM 1507 O OE2 . GLU 187 187 ? A 24.326 -11.631 9.697 1.000 1 A 97.562 1 ATOM 1508 N N . TRP 188 188 ? A 19.637 -9.043 9.398 1.000 1 A 97.224 1 ATOM 1509 C CA . TRP 188 188 ? A 19.352 -7.641 9.113 1.000 1 A 97.224 1 ATOM 1510 C C . TRP 188 188 ? A 18.014 -7.224 9.714 1.000 1 A 97.224 1 ATOM 1511 O O . TRP 188 188 ? A 17.853 -6.085 10.158 1.000 1 A 97.224 1 ATOM 1512 C CB . TRP 188 188 ? A 19.348 -7.388 7.603 1.000 1 A 97.224 1 ATOM 1513 C CG . TRP 188 188 ? A 20.703 -7.101 7.029 1.000 1 A 97.224 1 ATOM 1514 C CD1 . TRP 188 188 ? A 21.504 -7.966 6.337 1.000 1 A 97.224 1 ATOM 1515 C CD2 . TRP 188 188 ? A 21.417 -5.864 7.104 1.000 1 A 97.224 1 ATOM 1516 N NE1 . TRP 188 188 ? A 22.675 -7.339 5.975 1.000 1 A 97.224 1 ATOM 1517 C CE2 . TRP 188 188 ? A 22.646 -6.050 6.434 1.000 1 A 97.224 1 ATOM 1518 C CE3 . TRP 188 188 ? A 21.136 -4.614 7.672 1.000 1 A 97.224 1 ATOM 1519 C CZ2 . TRP 188 188 ? A 23.595 -5.031 6.317 1.000 1 A 97.224 1 ATOM 1520 C CZ3 . TRP 188 188 ? A 22.082 -3.602 7.555 1.000 1 A 97.224 1 ATOM 1521 C CH2 . TRP 188 188 ? A 23.295 -3.818 6.882 1.000 1 A 97.224 1 ATOM 1522 N N . LEU 189 189 ? A 17.063 -8.116 9.659 1.000 1 A 97.971 1 ATOM 1523 C CA . LEU 189 189 ? A 15.797 -7.788 10.305 1.000 1 A 97.971 1 ATOM 1524 C C . LEU 189 189 ? A 16.001 -7.503 11.789 1.000 1 A 97.971 1 ATOM 1525 O O . LEU 189 189 ? A 15.461 -6.528 12.318 1.000 1 A 97.971 1 ATOM 1526 C CB . LEU 189 189 ? A 14.793 -8.931 10.127 1.000 1 A 97.971 1 ATOM 1527 C CG . LEU 189 189 ? A 13.409 -8.719 10.741 1.000 1 A 97.971 1 ATOM 1528 C CD1 . LEU 189 189 ? A 12.860 -7.350 10.353 1.000 1 A 97.971 1 ATOM 1529 C CD2 . LEU 189 189 ? A 12.455 -9.827 10.306 1.000 1 A 97.971 1 ATOM 1530 N N . HIS 190 190 ? A 16.785 -8.282 12.510 1.000 1 A 96.687 1 ATOM 1531 C CA . HIS 190 190 ? A 17.112 -8.013 13.905 1.000 1 A 96.687 1 ATOM 1532 C C . HIS 190 190 ? A 17.802 -6.661 14.058 1.000 1 A 96.687 1 ATOM 1533 O O . HIS 190 190 ? A 17.454 -5.879 14.947 1.000 1 A 96.687 1 ATOM 1534 C CB . HIS 190 190 ? A 18.001 -9.122 14.470 1.000 1 A 96.687 1 ATOM 1535 C CG . HIS 190 190 ? A 17.251 -10.364 14.835 1.000 1 A 96.687 1 ATOM 1536 N ND1 . HIS 190 190 ? A 17.760 -11.628 14.630 1.000 1 A 96.687 1 ATOM 1537 C CD2 . HIS 190 190 ? A 16.030 -10.533 15.395 1.000 1 A 96.687 1 ATOM 1538 C CE1 . HIS 190 190 ? A 16.881 -12.523 15.049 1.000 1 A 96.687 1 ATOM 1539 N NE2 . HIS 190 190 ? A 15.823 -11.885 15.518 1.000 1 A 96.687 1 ATOM 1540 N N . LYS 191 191 ? A 18.704 -6.426 13.227 1.000 1 A 95.827 1 ATOM 1541 C CA . LYS 191 191 ? A 19.446 -5.169 13.271 1.000 1 A 95.827 1 ATOM 1542 C C . LYS 191 191 ? A 18.515 -3.974 13.085 1.000 1 A 95.827 1 ATOM 1543 O O . LYS 191 191 ? A 18.592 -2.999 13.835 1.000 1 A 95.827 1 ATOM 1544 C CB . LYS 191 191 ? A 20.539 -5.153 12.201 1.000 1 A 95.827 1 ATOM 1545 C CG . LYS 191 191 ? A 21.419 -3.912 12.233 1.000 1 A 95.827 1 ATOM 1546 C CD . LYS 191 191 ? A 22.529 -3.986 11.193 1.000 1 A 95.827 1 ATOM 1547 C CE . LYS 191 191 ? A 23.385 -2.727 11.196 1.000 1 A 95.827 1 ATOM 1548 N NZ . LYS 191 191 ? A 24.511 -2.820 10.219 1.000 1 A 95.827 1 ATOM 1549 N N . TYR 192 192 ? A 17.656 -4.064 12.093 1.000 1 A 96.705 1 ATOM 1550 C CA . TYR 192 192 ? A 16.745 -2.959 11.815 1.000 1 A 96.705 1 ATOM 1551 C C . TYR 192 192 ? A 15.774 -2.750 12.971 1.000 1 A 96.705 1 ATOM 1552 O O . TYR 192 192 ? A 15.466 -1.612 13.333 1.000 1 A 96.705 1 ATOM 1553 C CB . TYR 192 192 ? A 15.968 -3.216 10.520 1.000 1 A 96.705 1 ATOM 1554 C CG . TYR 192 192 ? A 16.820 -3.147 9.277 1.000 1 A 96.705 1 ATOM 1555 C CD1 . TYR 192 192 ? A 17.995 -2.398 9.255 1.000 1 A 96.705 1 ATOM 1556 C CD2 . TYR 192 192 ? A 16.453 -3.828 8.121 1.000 1 A 96.705 1 ATOM 1557 C CE1 . TYR 192 192 ? A 18.783 -2.330 8.110 1.000 1 A 96.705 1 ATOM 1558 C CE2 . TYR 192 192 ? A 17.233 -3.767 6.971 1.000 1 A 96.705 1 ATOM 1559 C CZ . TYR 192 192 ? A 18.394 -3.017 6.976 1.000 1 A 96.705 1 ATOM 1560 O OH . TYR 192 192 ? A 19.170 -2.952 5.840 1.000 1 A 96.705 1 ATOM 1561 N N . LEU 193 193 ? A 15.304 -3.856 13.555 1.000 1 A 95.640 1 ATOM 1562 C CA . LEU 193 193 ? A 14.402 -3.745 14.696 1.000 1 A 95.640 1 ATOM 1563 C C . LEU 193 193 ? A 15.096 -3.067 15.873 1.000 1 A 95.640 1 ATOM 1564 O O . LEU 193 193 ? A 14.482 -2.268 16.584 1.000 1 A 95.640 1 ATOM 1565 C CB . LEU 193 193 ? A 13.896 -5.128 15.116 1.000 1 A 95.640 1 ATOM 1566 C CG . LEU 193 193 ? A 12.890 -5.796 14.176 1.000 1 A 95.640 1 ATOM 1567 C CD1 . LEU 193 193 ? A 12.631 -7.234 14.613 1.000 1 A 95.640 1 ATOM 1568 C CD2 . LEU 193 193 ? A 11.589 -5.002 14.134 1.000 1 A 95.640 1 ATOM 1569 N N . GLU 194 194 ? A 16.297 -3.371 16.021 1.000 1 A 94.480 1 ATOM 1570 C CA . GLU 194 194 ? A 17.069 -2.750 17.092 1.000 1 A 94.480 1 ATOM 1571 C C . GLU 194 194 ? A 17.332 -1.275 16.799 1.000 1 A 94.480 1 ATOM 1572 O O . GLU 194 194 ? A 17.133 -0.420 17.664 1.000 1 A 94.480 1 ATOM 1573 C CB . GLU 194 194 ? A 18.394 -3.489 17.299 1.000 1 A 94.480 1 ATOM 1574 C CG . GLU 194 194 ? A 19.210 -2.971 18.474 1.000 1 A 94.480 1 ATOM 1575 C CD . GLU 194 194 ? A 18.478 -3.070 19.803 1.000 1 A 94.480 1 ATOM 1576 O OE1 . GLU 194 194 ? A 18.778 -2.273 20.721 1.000 1 A 94.480 1 ATOM 1577 O OE2 . GLU 194 194 ? A 17.599 -3.951 19.927 1.000 1 A 94.480 1 ATOM 1578 N N . LYS 195 195 ? A 17.684 -0.976 15.670 1.000 1 A 94.694 1 ATOM 1579 C CA . LYS 195 195 ? A 17.987 0.397 15.275 1.000 1 A 94.694 1 ATOM 1580 C C . LYS 195 195 ? A 16.734 1.268 15.308 1.000 1 A 94.694 1 ATOM 1581 O O . LYS 195 195 ? A 16.796 2.439 15.687 1.000 1 A 94.694 1 ATOM 1582 C CB . LYS 195 195 ? A 18.611 0.429 13.879 1.000 1 A 94.694 1 ATOM 1583 C CG . LYS 195 195 ? A 20.069 -0.006 13.843 1.000 1 A 94.694 1 ATOM 1584 C CD . LYS 195 195 ? A 20.665 0.152 12.450 1.000 1 A 94.694 1 ATOM 1585 C CE . LYS 195 195 ? A 22.037 -0.499 12.351 1.000 1 A 94.694 1 ATOM 1586 N NZ . LYS 195 195 ? A 23.088 0.316 13.032 1.000 1 A 94.694 1 ATOM 1587 N N . GLY 196 196 ? A 15.651 0.669 14.805 1.000 1 A 94.626 1 ATOM 1588 C CA . GLY 196 196 ? A 14.401 1.402 14.677 1.000 1 A 94.626 1 ATOM 1589 C C . GLY 196 196 ? A 13.406 1.080 15.776 1.000 1 A 94.626 1 ATOM 1590 O O . GLY 196 196 ? A 12.196 1.216 15.584 1.000 1 A 94.626 1 ATOM 1591 N N . LYS 197 197 ? A 13.818 0.627 16.917 1.000 1 A 93.796 1 ATOM 1592 C CA . LYS 197 197 ? A 12.985 0.089 17.989 1.000 1 A 93.796 1 ATOM 1593 C C . LYS 197 197 ? A 11.906 1.087 18.400 1.000 1 A 93.796 1 ATOM 1594 O O . LYS 197 197 ? A 10.753 0.708 18.617 1.000 1 A 93.796 1 ATOM 1595 C CB . LYS 197 197 ? A 13.843 -0.283 19.200 1.000 1 A 93.796 1 ATOM 1596 C CG . LYS 197 197 ? A 13.174 -1.262 20.154 1.000 1 A 93.796 1 ATOM 1597 C CD . LYS 197 197 ? A 14.085 -1.613 21.323 1.000 1 A 93.796 1 ATOM 1598 C CE . LYS 197 197 ? A 13.397 -2.548 22.309 1.000 1 A 93.796 1 ATOM 1599 N NZ . LYS 197 197 ? A 14.265 -2.848 23.486 1.000 1 A 93.796 1 ATOM 1600 N N . GLU 198 198 ? A 12.238 2.352 18.419 1.000 1 A 92.295 1 ATOM 1601 C CA . GLU 198 198 ? A 11.288 3.364 18.871 1.000 1 A 92.295 1 ATOM 1602 C C . GLU 198 198 ? A 10.145 3.531 17.874 1.000 1 A 92.295 1 ATOM 1603 O O . GLU 198 198 ? A 8.983 3.653 18.269 1.000 1 A 92.295 1 ATOM 1604 C CB . GLU 198 198 ? A 11.994 4.704 19.092 1.000 1 A 92.295 1 ATOM 1605 C CG . GLU 198 198 ? A 12.952 4.707 20.274 1.000 1 A 92.295 1 ATOM 1606 C CD . GLU 198 198 ? A 13.681 6.029 20.452 1.000 1 A 92.295 1 ATOM 1607 O OE1 . GLU 198 198 ? A 14.422 6.184 21.450 1.000 1 A 92.295 1 ATOM 1608 O OE2 . GLU 198 198 ? A 13.509 6.918 19.589 1.000 1 A 92.295 1 ATOM 1609 N N . THR 199 199 ? A 10.530 3.445 16.627 1.000 1 A 92.259 1 ATOM 1610 C CA . THR 199 199 ? A 9.558 3.657 15.560 1.000 1 A 92.259 1 ATOM 1611 C C . THR 199 199 ? A 8.841 2.355 15.214 1.000 1 A 92.259 1 ATOM 1612 O O . THR 199 199 ? A 7.614 2.326 15.104 1.000 1 A 92.259 1 ATOM 1613 C CB . THR 199 199 ? A 10.231 4.226 14.297 1.000 1 A 92.259 1 ATOM 1614 O OG1 . THR 199 199 ? A 10.859 5.474 14.618 1.000 1 A 92.259 1 ATOM 1615 C CG2 . THR 199 199 ? A 9.212 4.455 13.186 1.000 1 A 92.259 1 ATOM 1616 N N . LEU 200 200 ? A 9.502 1.262 15.080 1.000 1 A 93.457 1 ATOM 1617 C CA . LEU 200 200 ? A 8.991 0.016 14.521 1.000 1 A 93.457 1 ATOM 1618 C C . LEU 200 200 ? A 8.200 -0.765 15.565 1.000 1 A 93.457 1 ATOM 1619 O O . LEU 200 200 ? A 7.270 -1.499 15.224 1.000 1 A 93.457 1 ATOM 1620 C CB . LEU 200 200 ? A 10.141 -0.843 13.988 1.000 1 A 93.457 1 ATOM 1621 C CG . LEU 200 200 ? A 10.895 -0.292 12.777 1.000 1 A 93.457 1 ATOM 1622 C CD1 . LEU 200 200 ? A 12.162 -1.103 12.526 1.000 1 A 93.457 1 ATOM 1623 C CD2 . LEU 200 200 ? A 10.000 -0.293 11.543 1.000 1 A 93.457 1 ATOM 1624 N N . LEU 201 201 ? A 8.529 -0.574 16.785 1.000 1 A 90.855 1 ATOM 1625 C CA . LEU 201 201 ? A 7.874 -1.355 17.829 1.000 1 A 90.855 1 ATOM 1626 C C . LEU 201 201 ? A 6.804 -0.530 18.535 1.000 1 A 90.855 1 ATOM 1627 O O . LEU 201 201 ? A 6.171 -1.005 19.480 1.000 1 A 90.855 1 ATOM 1628 C CB . LEU 201 201 ? A 8.902 -1.859 18.846 1.000 1 A 90.855 1 ATOM 1629 C CG . LEU 201 201 ? A 10.009 -2.762 18.301 1.000 1 A 90.855 1 ATOM 1630 C CD1 . LEU 201 201 ? A 10.883 -3.275 19.440 1.000 1 A 90.855 1 ATOM 1631 C CD2 . LEU 201 201 ? A 9.412 -3.924 17.513 1.000 1 A 90.855 1 ATOM 1632 N N . HIS 202 202 ? A 6.686 0.677 18.017 1.000 1 A 92.080 1 ATOM 1633 C CA . HIS 202 202 ? A 5.654 1.549 18.569 1.000 1 A 92.080 1 ATOM 1634 C C . HIS 202 202 ? A 4.262 1.090 18.146 1.000 1 A 92.080 1 ATOM 1635 O O . HIS 202 202 ? A 4.071 0.633 17.017 1.000 1 A 92.080 1 ATOM 1636 C CB . HIS 202 202 ? A 5.885 2.996 18.131 1.000 1 A 92.080 1 ATOM 1637 C CG . HIS 202 202 ? A 4.769 3.920 18.502 1.000 1 A 92.080 1 ATOM 1638 N ND1 . HIS 202 202 ? A 4.513 4.293 19.804 1.000 1 A 92.080 1 ATOM 1639 C CD2 . HIS 202 202 ? A 3.845 4.549 17.739 1.000 1 A 92.080 1 ATOM 1640 C CE1 . HIS 202 202 ? A 3.475 5.112 19.825 1.000 1 A 92.080 1 ATOM 1641 N NE2 . HIS 202 202 ? A 3.051 5.284 18.585 1.000 1 A 92.080 1 ATOM 1642 N N . LEU 203 203 ? A 3.373 1.099 19.146 1.000 1 A 94.024 1 ATOM 1643 C CA . LEU 203 203 ? A 1.969 0.795 18.894 1.000 1 A 94.024 1 ATOM 1644 C C . LEU 203 203 ? A 1.103 2.037 19.072 1.000 1 A 94.024 1 ATOM 1645 O O . LEU 203 203 ? A 1.252 2.768 20.055 1.000 1 A 94.024 1 ATOM 1646 C CB . LEU 203 203 ? A 1.485 -0.317 19.828 1.000 1 A 94.024 1 ATOM 1647 C CG . LEU 203 203 ? A 2.237 -1.647 19.746 1.000 1 A 94.024 1 ATOM 1648 C CD1 . LEU 203 203 ? A 1.720 -2.614 20.805 1.000 1 A 94.024 1 ATOM 1649 C CD2 . LEU 203 203 ? A 2.106 -2.251 18.352 1.000 1 A 94.024 1 ATOM 1650 N N . GLU 204 204 ? A 0.328 2.305 18.034 1.000 1 A 95.907 1 ATOM 1651 C CA . GLU 204 204 ? A -0.643 3.389 18.145 1.000 1 A 95.907 1 ATOM 1652 C C . GLU 204 204 ? A -2.072 2.861 18.063 1.000 1 A 95.907 1 ATOM 1653 O O . GLU 204 204 ? A -2.500 2.373 17.015 1.000 1 A 95.907 1 ATOM 1654 C CB . GLU 204 204 ? A -0.407 4.437 17.054 1.000 1 A 95.907 1 ATOM 1655 C CG . GLU 204 204 ? A 0.874 5.238 17.237 1.000 1 A 95.907 1 ATOM 1656 C CD . GLU 204 204 ? A 0.745 6.686 16.790 1.000 1 A 95.907 1 ATOM 1657 O OE1 . GLU 204 204 ? A 1.775 7.393 16.720 1.000 1 A 95.907 1 ATOM 1658 O OE2 . GLU 204 204 ? A -0.396 7.116 16.510 1.000 1 A 95.907 1 ATOM 1659 N N . PRO 205 205 ? A -2.775 2.917 19.193 1.000 1 A 97.468 1 ATOM 1660 C CA . PRO 205 205 ? A -4.162 2.449 19.146 1.000 1 A 97.468 1 ATOM 1661 C C . PRO 205 205 ? A -5.053 3.331 18.274 1.000 1 A 97.468 1 ATOM 1662 O O . PRO 205 205 ? A -4.801 4.532 18.145 1.000 1 A 97.468 1 ATOM 1663 C CB . PRO 205 205 ? A -4.603 2.504 20.610 1.000 1 A 97.468 1 ATOM 1664 C CG . PRO 205 205 ? A -3.760 3.576 21.223 1.000 1 A 97.468 1 ATOM 1665 C CD . PRO 205 205 ? A -2.422 3.577 20.542 1.000 1 A 97.468 1 ATOM 1666 N N . PRO 206 206 ? A -6.032 2.749 17.684 1.000 1 A 97.822 1 ATOM 1667 C CA . PRO 206 206 ? A -6.922 3.546 16.836 1.000 1 A 97.822 1 ATOM 1668 C C . PRO 206 206 ? A -7.835 4.467 17.641 1.000 1 A 97.822 1 ATOM 1669 O O . PRO 206 206 ? A -8.266 4.109 18.740 1.000 1 A 97.822 1 ATOM 1670 C CB . PRO 206 206 ? A -7.736 2.488 16.087 1.000 1 A 97.822 1 ATOM 1671 C CG . PRO 206 206 ? A -7.793 1.320 17.019 1.000 1 A 97.822 1 ATOM 1672 C CD . PRO 206 206 ? A -6.487 1.233 17.755 1.000 1 A 97.822 1 ATOM 1673 N N . LYS 207 207 ? A -8.086 5.692 17.139 1.000 1 A 97.466 1 ATOM 1674 C CA . LYS 207 207 ? A -9.226 6.502 17.561 1.000 1 A 97.466 1 ATOM 1675 C C . LYS 207 207 ? A -10.509 6.046 16.873 1.000 1 A 97.466 1 ATOM 1676 O O . LYS 207 207 ? A -10.630 6.139 15.649 1.000 1 A 97.466 1 ATOM 1677 C CB . LYS 207 207 ? A -8.971 7.981 17.268 1.000 1 A 97.466 1 ATOM 1678 C CG . LYS 207 207 ? A -7.796 8.571 18.035 1.000 1 A 97.466 1 ATOM 1679 C CD . LYS 207 207 ? A -7.560 10.029 17.661 1.000 1 A 97.466 1 ATOM 1680 C CE . LYS 207 207 ? A -6.321 10.589 18.346 1.000 1 A 97.466 1 ATOM 1681 N NZ . LYS 207 207 ? A -6.056 12.002 17.943 1.000 1 A 97.466 1 ATOM 1682 N N . THR 208 208 ? A -11.392 5.509 17.707 1.000 1 A 97.128 1 ATOM 1683 C CA . THR 208 208 ? A -12.554 4.845 17.127 1.000 1 A 97.128 1 ATOM 1684 C C . THR 208 208 ? A -13.836 5.595 17.477 1.000 1 A 97.128 1 ATOM 1685 O O . THR 208 208 ? A -13.929 6.216 18.538 1.000 1 A 97.128 1 ATOM 1686 C CB . THR 208 208 ? A -12.662 3.386 17.609 1.000 1 A 97.128 1 ATOM 1687 O OG1 . THR 208 208 ? A -12.672 3.362 19.042 1.000 1 A 97.128 1 ATOM 1688 C CG2 . THR 208 208 ? A -11.488 2.552 17.106 1.000 1 A 97.128 1 ATOM 1689 N N . HIS 209 209 ? A -14.752 5.622 16.610 1.000 1 A 95.918 1 ATOM 1690 C CA . HIS 209 209 ? A -16.089 6.156 16.840 1.000 1 A 95.918 1 ATOM 1691 C C . HIS 209 209 ? A -17.067 5.671 15.775 1.000 1 A 95.918 1 ATOM 1692 O O . HIS 209 209 ? A -16.654 5.119 14.752 1.000 1 A 95.918 1 ATOM 1693 C CB . HIS 209 209 ? A -16.059 7.685 16.868 1.000 1 A 95.918 1 ATOM 1694 C CG . HIS 209 209 ? A -15.624 8.300 15.576 1.000 1 A 95.918 1 ATOM 1695 N ND1 . HIS 209 209 ? A -14.301 8.378 15.197 1.000 1 A 95.918 1 ATOM 1696 C CD2 . HIS 209 209 ? A -16.339 8.863 14.574 1.000 1 A 95.918 1 ATOM 1697 C CE1 . HIS 209 209 ? A -14.222 8.966 14.015 1.000 1 A 95.918 1 ATOM 1698 N NE2 . HIS 209 209 ? A -15.445 9.270 13.615 1.000 1 A 95.918 1 ATOM 1699 N N . VAL 210 210 ? A -18.361 5.790 16.082 1.000 1 A 96.010 1 ATOM 1700 C CA . VAL 210 210 ? A -19.424 5.430 15.149 1.000 1 A 96.010 1 ATOM 1701 C C . VAL 210 210 ? A -20.214 6.677 14.760 1.000 1 A 96.010 1 ATOM 1702 O O . VAL 210 210 ? A -20.609 7.464 15.623 1.000 1 A 96.010 1 ATOM 1703 C CB . VAL 210 210 ? A -20.369 4.365 15.750 1.000 1 A 96.010 1 ATOM 1704 C CG1 . VAL 210 210 ? A -21.508 4.047 14.782 1.000 1 A 96.010 1 ATOM 1705 C CG2 . VAL 210 210 ? A -19.591 3.098 16.099 1.000 1 A 96.010 1 ATOM 1706 N N . THR 211 211 ? A -20.353 6.828 13.439 1.000 1 A 94.183 1 ATOM 1707 C CA . THR 211 211 ? A -21.163 7.938 12.952 1.000 1 A 94.183 1 ATOM 1708 C C . THR 211 211 ? A -22.478 7.432 12.367 1.000 1 A 94.183 1 ATOM 1709 O O . THR 211 211 ? A -22.564 6.287 11.918 1.000 1 A 94.183 1 ATOM 1710 C CB . THR 211 211 ? A -20.407 8.758 11.890 1.000 1 A 94.183 1 ATOM 1711 O OG1 . THR 211 211 ? A -20.003 7.891 10.824 1.000 1 A 94.183 1 ATOM 1712 C CG2 . THR 211 211 ? A -19.171 9.423 12.486 1.000 1 A 94.183 1 ATOM 1713 N N . HIS 212 212 ? A -23.501 8.336 12.480 1.000 1 A 93.851 1 ATOM 1714 C CA . HIS 212 212 ? A -24.863 8.059 12.037 1.000 1 A 93.851 1 ATOM 1715 C C . HIS 212 212 ? A -25.238 8.923 10.837 1.000 1 A 93.851 1 ATOM 1716 O O . HIS 212 212 ? A -25.087 10.146 10.876 1.000 1 A 93.851 1 ATOM 1717 C CB . HIS 212 212 ? A -25.855 8.286 13.179 1.000 1 A 93.851 1 ATOM 1718 C CG . HIS 212 212 ? A -27.283 8.088 12.781 1.000 1 A 93.851 1 ATOM 1719 N ND1 . HIS 212 212 ? A -28.141 9.139 12.539 1.000 1 A 93.851 1 ATOM 1720 C CD2 . HIS 212 212 ? A -28.002 6.958 12.581 1.000 1 A 93.851 1 ATOM 1721 C CE1 . HIS 212 212 ? A -29.329 8.662 12.208 1.000 1 A 93.851 1 ATOM 1722 N NE2 . HIS 212 212 ? A -29.271 7.341 12.225 1.000 1 A 93.851 1 ATOM 1723 N N . HIS 213 213 ? A -25.632 8.228 9.734 1.000 1 A 92.979 1 ATOM 1724 C CA . HIS 213 213 ? A -25.998 8.928 8.508 1.000 1 A 92.979 1 ATOM 1725 C C . HIS 213 213 ? A -27.379 8.503 8.022 1.000 1 A 92.979 1 ATOM 1726 O O . HIS 213 213 ? A -27.529 7.440 7.416 1.000 1 A 92.979 1 ATOM 1727 C CB . HIS 213 213 ? A -24.956 8.675 7.416 1.000 1 A 92.979 1 ATOM 1728 C CG . HIS 213 213 ? A -23.562 9.035 7.821 1.000 1 A 92.979 1 ATOM 1729 N ND1 . HIS 213 213 ? A -23.038 10.296 7.641 1.000 1 A 92.979 1 ATOM 1730 C CD2 . HIS 213 213 ? A -22.587 8.297 8.401 1.000 1 A 92.979 1 ATOM 1731 C CE1 . HIS 213 213 ? A -21.795 10.318 8.093 1.000 1 A 92.979 1 ATOM 1732 N NE2 . HIS 213 213 ? A -21.497 9.118 8.560 1.000 1 A 92.979 1 ATOM 1733 N N . PRO 214 214 ? A -28.393 9.428 8.315 1.000 1 A 92.712 1 ATOM 1734 C CA . PRO 214 214 ? A -29.751 9.102 7.874 1.000 1 A 92.712 1 ATOM 1735 C C . PRO 214 214 ? A -29.873 9.021 6.354 1.000 1 A 92.712 1 ATOM 1736 O O . PRO 214 214 ? A -29.348 9.880 5.642 1.000 1 A 92.712 1 ATOM 1737 C CB . PRO 214 214 ? A -30.589 10.257 8.428 1.000 1 A 92.712 1 ATOM 1738 C CG . PRO 214 214 ? A -29.747 10.855 9.509 1.000 1 A 92.712 1 ATOM 1739 C CD . PRO 214 214 ? A -28.302 10.645 9.160 1.000 1 A 92.712 1 ATOM 1740 N N . ILE 215 215 ? A -30.452 7.955 5.812 1.000 1 A 91.783 1 ATOM 1741 C CA . ILE 215 215 ? A -30.710 7.785 4.386 1.000 1 A 91.783 1 ATOM 1742 C C . ILE 215 215 ? A -32.161 8.144 4.079 1.000 1 A 91.783 1 ATOM 1743 O O . ILE 215 215 ? A -32.437 8.886 3.132 1.000 1 A 91.783 1 ATOM 1744 C CB . ILE 215 215 ? A -30.405 6.342 3.925 1.000 1 A 91.783 1 ATOM 1745 C CG1 . ILE 215 215 ? A -28.934 5.997 4.187 1.000 1 A 91.783 1 ATOM 1746 C CG2 . ILE 215 215 ? A -30.753 6.164 2.444 1.000 1 A 91.783 1 ATOM 1747 C CD1 . ILE 215 215 ? A -28.596 4.528 3.978 1.000 1 A 91.783 1 ATOM 1748 N N . SER 216 216 ? A -33.170 7.597 4.862 1.000 1 A 93.249 1 ATOM 1749 C CA . SER 216 216 ? A -34.611 7.821 4.834 1.000 1 A 93.249 1 ATOM 1750 C C . SER 216 216 ? A -35.216 7.702 6.229 1.000 1 A 93.249 1 ATOM 1751 O O . SER 216 216 ? A -34.493 7.528 7.212 1.000 1 A 93.249 1 ATOM 1752 C CB . SER 216 216 ? A -35.291 6.830 3.889 1.000 1 A 93.249 1 ATOM 1753 O OG . SER 216 216 ? A -35.299 5.527 4.448 1.000 1 A 93.249 1 ATOM 1754 N N . ASP 217 217 ? A -36.495 7.814 6.230 1.000 1 A 91.527 1 ATOM 1755 C CA . ASP 217 217 ? A -37.199 7.667 7.500 1.000 1 A 91.527 1 ATOM 1756 C C . ASP 217 217 ? A -37.085 6.238 8.028 1.000 1 A 91.527 1 ATOM 1757 O O . ASP 217 217 ? A -37.274 5.995 9.222 1.000 1 A 91.527 1 ATOM 1758 C CB . ASP 217 217 ? A -38.671 8.056 7.346 1.000 1 A 91.527 1 ATOM 1759 C CG . ASP 217 217 ? A -38.872 9.546 7.138 1.000 1 A 91.527 1 ATOM 1760 O OD1 . ASP 217 217 ? A -37.973 10.339 7.493 1.000 1 A 91.527 1 ATOM 1761 O OD2 . ASP 217 217 ? A -39.940 9.932 6.616 1.000 1 A 91.527 1 ATOM 1762 N N . HIS 218 218 ? A -36.660 5.318 7.243 1.000 1 A 94.898 1 ATOM 1763 C CA . HIS 218 218 ? A -36.680 3.906 7.609 1.000 1 A 94.898 1 ATOM 1764 C C . HIS 218 218 ? A -35.269 3.331 7.662 1.000 1 A 94.898 1 ATOM 1765 O O . HIS 218 218 ? A -35.056 2.245 8.208 1.000 1 A 94.898 1 ATOM 1766 C CB . HIS 218 218 ? A -37.536 3.108 6.624 1.000 1 A 94.898 1 ATOM 1767 C CG . HIS 218 218 ? A -38.942 3.605 6.512 1.000 1 A 94.898 1 ATOM 1768 N ND1 . HIS 218 218 ? A -39.834 3.557 7.562 1.000 1 A 94.898 1 ATOM 1769 C CD2 . HIS 218 218 ? A -39.608 4.162 5.473 1.000 1 A 94.898 1 ATOM 1770 C CE1 . HIS 218 218 ? A -40.991 4.065 7.171 1.000 1 A 94.898 1 ATOM 1771 N NE2 . HIS 218 218 ? A -40.881 4.439 5.908 1.000 1 A 94.898 1 ATOM 1772 N N . GLU 219 219 ? A -34.306 4.069 7.124 1.000 1 A 95.316 1 ATOM 1773 C CA . GLU 219 219 ? A -32.960 3.509 7.056 1.000 1 A 95.316 1 ATOM 1774 C C . GLU 219 219 ? A -31.910 4.550 7.433 1.000 1 A 95.316 1 ATOM 1775 O O . GLU 219 219 ? A -32.121 5.750 7.244 1.000 1 A 95.316 1 ATOM 1776 C CB . GLU 219 219 ? A -32.676 2.959 5.656 1.000 1 A 95.316 1 ATOM 1777 C CG . GLU 219 219 ? A -33.492 1.724 5.302 1.000 1 A 95.316 1 ATOM 1778 C CD . GLU 219 219 ? A -33.166 1.163 3.928 1.000 1 A 95.316 1 ATOM 1779 O OE1 . GLU 219 219 ? A -33.371 -0.052 3.704 1.000 1 A 95.316 1 ATOM 1780 O OE2 . GLU 219 219 ? A -32.701 1.944 3.067 1.000 1 A 95.316 1 ATOM 1781 N N . ALA 220 220 ? A -30.920 3.990 7.993 1.000 1 A 94.498 1 ATOM 1782 C CA . ALA 220 220 ? A -29.742 4.798 8.299 1.000 1 A 94.498 1 ATOM 1783 C C . ALA 220 220 ? A -28.459 4.000 8.086 1.000 1 A 94.498 1 ATOM 1784 O O . ALA 220 220 ? A -28.480 2.767 8.087 1.000 1 A 94.498 1 ATOM 1785 C CB . ALA 220 220 ? A -29.810 5.317 9.733 1.000 1 A 94.498 1 ATOM 1786 N N . THR 221 221 ? A -27.375 4.716 7.779 1.000 1 A 95.009 1 ATOM 1787 C CA . THR 221 221 ? A -26.057 4.099 7.680 1.000 1 A 95.009 1 ATOM 1788 C C . THR 221 221 ? A -25.224 4.399 8.923 1.000 1 A 95.009 1 ATOM 1789 O O . THR 221 221 ? A -25.076 5.559 9.312 1.000 1 A 95.009 1 ATOM 1790 C CB . THR 221 221 ? A -25.306 4.585 6.426 1.000 1 A 95.009 1 ATOM 1791 O OG1 . THR 221 221 ? A -26.064 4.242 5.259 1.000 1 A 95.009 1 ATOM 1792 C CG2 . THR 221 221 ? A -23.926 3.944 6.328 1.000 1 A 95.009 1 ATOM 1793 N N . LEU 222 222 ? A -24.763 3.323 9.592 1.000 1 A 95.712 1 ATOM 1794 C CA . LEU 222 222 ? A -23.779 3.440 10.663 1.000 1 A 95.712 1 ATOM 1795 C C . LEU 222 222 ? A -22.372 3.172 10.140 1.000 1 A 95.712 1 ATOM 1796 O O . LEU 222 222 ? A -22.147 2.193 9.425 1.000 1 A 95.712 1 ATOM 1797 C CB . LEU 222 222 ? A -24.107 2.468 11.800 1.000 1 A 95.712 1 ATOM 1798 C CG . LEU 222 222 ? A -25.465 2.652 12.479 1.000 1 A 95.712 1 ATOM 1799 C CD1 . LEU 222 222 ? A -25.656 1.608 13.574 1.000 1 A 95.712 1 ATOM 1800 C CD2 . LEU 222 222 ? A -25.592 4.061 13.048 1.000 1 A 95.712 1 ATOM 1801 N N . ARG 223 223 ? A -21.504 4.012 10.570 1.000 1 A 95.600 1 ATOM 1802 C CA . ARG 223 223 ? A -20.122 3.869 10.125 1.000 1 A 95.600 1 ATOM 1803 C C . ARG 223 223 ? A -19.168 3.804 11.313 1.000 1 A 95.600 1 ATOM 1804 O O . ARG 223 223 ? A -19.135 4.718 12.140 1.000 1 A 95.600 1 ATOM 1805 C CB . ARG 223 223 ? A -19.731 5.025 9.202 1.000 1 A 95.600 1 ATOM 1806 C CG . ARG 223 223 ? A -18.405 4.822 8.487 1.000 1 A 95.600 1 ATOM 1807 C CD . ARG 223 223 ? A -18.134 5.927 7.476 1.000 1 A 95.600 1 ATOM 1808 N NE . ARG 223 223 ? A -19.025 5.833 6.323 1.000 1 A 95.600 1 ATOM 1809 C CZ . ARG 223 223 ? A -19.290 6.833 5.486 1.000 1 A 95.600 1 ATOM 1810 N NH1 . ARG 223 223 ? A -18.734 8.027 5.659 1.000 1 A 95.600 1 ATOM 1811 N NH2 . ARG 223 223 ? A -20.116 6.638 4.469 1.000 1 A 95.600 1 ATOM 1812 N N . CYS 224 224 ? A -18.395 2.781 11.276 1.000 1 A 96.701 1 ATOM 1813 C CA . CYS 224 224 ? A -17.377 2.560 12.297 1.000 1 A 96.701 1 ATOM 1814 C C . CYS 224 224 ? A -16.006 3.010 11.807 1.000 1 A 96.701 1 ATOM 1815 O O . CYS 224 224 ? A -15.456 2.430 10.869 1.000 1 A 96.701 1 ATOM 1816 C CB . CYS 224 224 ? A -17.328 1.086 12.695 1.000 1 A 96.701 1 ATOM 1817 S SG . CYS 224 224 ? A -16.138 0.724 14.005 1.000 1 A 96.701 1 ATOM 1818 N N . TRP 225 225 ? A -15.463 3.977 12.596 1.000 1 A 96.427 1 ATOM 1819 C CA . TRP 225 225 ? A -14.195 4.578 12.194 1.000 1 A 96.427 1 ATOM 1820 C C . TRP 225 225 ? A -13.054 4.085 13.077 1.000 1 A 96.427 1 ATOM 1821 O O . TRP 225 225 ? A -13.218 3.941 14.291 1.000 1 A 96.427 1 ATOM 1822 C CB . TRP 225 225 ? A -14.282 6.106 12.254 1.000 1 A 96.427 1 ATOM 1823 C CG . TRP 225 225 ? A -15.181 6.706 11.215 1.000 1 A 96.427 1 ATOM 1824 C CD1 . TRP 225 225 ? A -16.528 6.919 11.315 1.000 1 A 96.427 1 ATOM 1825 C CD2 . TRP 225 225 ? A -14.797 7.167 9.917 1.000 1 A 96.427 1 ATOM 1826 N NE1 . TRP 225 225 ? A -17.004 7.486 10.156 1.000 1 A 96.427 1 ATOM 1827 C CE2 . TRP 225 225 ? A -15.963 7.648 9.282 1.000 1 A 96.427 1 ATOM 1828 C CE3 . TRP 225 225 ? A -13.578 7.221 9.227 1.000 1 A 96.427 1 ATOM 1829 C CZ2 . TRP 225 225 ? A -15.946 8.177 7.989 1.000 1 A 96.427 1 ATOM 1830 C CZ3 . TRP 225 225 ? A -13.563 7.748 7.941 1.000 1 A 96.427 1 ATOM 1831 C CH2 . TRP 225 225 ? A -14.741 8.218 7.337 1.000 1 A 96.427 1 ATOM 1832 N N . ALA 226 226 ? A -11.932 3.874 12.454 1.000 1 A 97.681 1 ATOM 1833 C CA . ALA 226 226 ? A -10.637 3.666 13.098 1.000 1 A 97.681 1 ATOM 1834 C C . ALA 226 226 ? A -9.554 4.516 12.440 1.000 1 A 97.681 1 ATOM 1835 O O . ALA 226 226 ? A -9.209 4.300 11.276 1.000 1 A 97.681 1 ATOM 1836 C CB . ALA 226 226 ? A -10.251 2.190 13.053 1.000 1 A 97.681 1 ATOM 1837 N N . LEU 227 227 ? A -9.037 5.439 13.261 1.000 1 A 96.976 1 ATOM 1838 C CA . LEU 227 227 ? A -8.130 6.426 12.686 1.000 1 A 96.976 1 ATOM 1839 C C . LEU 227 227 ? A -6.799 6.438 13.429 1.000 1 A 96.976 1 ATOM 1840 O O . LEU 227 227 ? A -6.755 6.196 14.637 1.000 1 A 96.976 1 ATOM 1841 C CB . LEU 227 227 ? A -8.762 7.820 12.723 1.000 1 A 96.976 1 ATOM 1842 C CG . LEU 227 227 ? A -10.158 7.948 12.113 1.000 1 A 96.976 1 ATOM 1843 C CD1 . LEU 227 227 ? A -10.737 9.330 12.399 1.000 1 A 96.976 1 ATOM 1844 C CD2 . LEU 227 227 ? A -10.113 7.681 10.613 1.000 1 A 96.976 1 ATOM 1845 N N . GLY 228 228 ? A -5.710 6.677 12.735 1.000 1 A 97.108 1 ATOM 1846 C CA . GLY 228 228 ? A -4.409 7.004 13.297 1.000 1 A 97.108 1 ATOM 1847 C C . GLY 228 228 ? A -3.762 5.839 14.021 1.000 1 A 97.108 1 ATOM 1848 O O . GLY 228 228 ? A -3.108 6.026 15.049 1.000 1 A 97.108 1 ATOM 1849 N N . PHE 229 229 ? A -3.941 4.630 13.499 1.000 1 A 97.598 1 ATOM 1850 C CA . PHE 229 229 ? A -3.412 3.478 14.219 1.000 1 A 97.598 1 ATOM 1851 C C . PHE 229 229 ? A -2.190 2.910 13.509 1.000 1 A 97.598 1 ATOM 1852 O O . PHE 229 229 ? A -2.015 3.112 12.306 1.000 1 A 97.598 1 ATOM 1853 C CB . PHE 229 229 ? A -4.485 2.394 14.365 1.000 1 A 97.598 1 ATOM 1854 C CG . PHE 229 229 ? A -5.050 1.919 13.053 1.000 1 A 97.598 1 ATOM 1855 C CD1 . PHE 229 229 ? A -6.165 2.535 12.497 1.000 1 A 97.598 1 ATOM 1856 C CD2 . PHE 229 229 ? A -4.466 0.857 12.376 1.000 1 A 97.598 1 ATOM 1857 C CE1 . PHE 229 229 ? A -6.690 2.098 11.283 1.000 1 A 97.598 1 ATOM 1858 C CE2 . PHE 229 229 ? A -4.985 0.414 11.163 1.000 1 A 97.598 1 ATOM 1859 C CZ . PHE 229 229 ? A -6.098 1.035 10.619 1.000 1 A 97.598 1 ATOM 1860 N N . TYR 230 230 ? A -1.343 2.275 14.139 1.000 1 A 96.385 1 ATOM 1861 C CA . TYR 230 230 ? A -0.175 1.497 13.742 1.000 1 A 96.385 1 ATOM 1862 C C . TYR 230 230 ? A 0.067 0.345 14.710 1.000 1 A 96.385 1 ATOM 1863 O O . TYR 230 230 ? A 0.009 0.526 15.928 1.000 1 A 96.385 1 ATOM 1864 C CB . TYR 230 230 ? A 1.067 2.390 13.673 1.000 1 A 96.385 1 ATOM 1865 C CG . TYR 230 230 ? A 2.302 1.675 13.180 1.000 1 A 96.385 1 ATOM 1866 C CD1 . TYR 230 230 ? A 3.169 1.047 14.071 1.000 1 A 96.385 1 ATOM 1867 C CD2 . TYR 230 230 ? A 2.604 1.626 11.823 1.000 1 A 96.385 1 ATOM 1868 C CE1 . TYR 230 230 ? A 4.309 0.388 13.622 1.000 1 A 96.385 1 ATOM 1869 C CE2 . TYR 230 230 ? A 3.741 0.970 11.363 1.000 1 A 96.385 1 ATOM 1870 C CZ . TYR 230 230 ? A 4.586 0.355 12.268 1.000 1 A 96.385 1 ATOM 1871 O OH . TYR 230 230 ? A 5.713 -0.296 11.818 1.000 1 A 96.385 1 ATOM 1872 N N . PRO 231 231 ? A 0.474 -0.855 13.955 1.000 1 A 94.871 1 ATOM 1873 C CA . PRO 231 231 ? A 0.641 -1.246 12.553 1.000 1 A 94.871 1 ATOM 1874 C C . PRO 231 231 ? A -0.686 -1.324 11.801 1.000 1 A 94.871 1 ATOM 1875 O O . PRO 231 231 ? A -1.749 -1.119 12.393 1.000 1 A 94.871 1 ATOM 1876 C CB . PRO 231 231 ? A 1.297 -2.626 12.647 1.000 1 A 94.871 1 ATOM 1877 C CG . PRO 231 231 ? A 0.778 -3.210 13.921 1.000 1 A 94.871 1 ATOM 1878 C CD . PRO 231 231 ? A 0.567 -2.095 14.906 1.000 1 A 94.871 1 ATOM 1879 N N . ALA 232 232 ? A -0.602 -1.594 10.456 1.000 1 A 95.919 1 ATOM 1880 C CA . ALA 232 232 ? A -1.699 -1.461 9.500 1.000 1 A 95.919 1 ATOM 1881 C C . ALA 232 232 ? A -2.766 -2.526 9.738 1.000 1 A 95.919 1 ATOM 1882 O O . ALA 232 232 ? A -3.944 -2.310 9.445 1.000 1 A 95.919 1 ATOM 1883 C CB . ALA 232 232 ? A -1.172 -1.549 8.070 1.000 1 A 95.919 1 ATOM 1884 N N . GLU 233 233 ? A -2.394 -3.687 10.367 1.000 1 A 95.162 1 ATOM 1885 C CA . GLU 233 233 ? A -3.343 -4.784 10.530 1.000 1 A 95.162 1 ATOM 1886 C C . GLU 233 233 ? A -4.381 -4.461 11.602 1.000 1 A 95.162 1 ATOM 1887 O O . GLU 233 233 ? A -4.031 -4.226 12.760 1.000 1 A 95.162 1 ATOM 1888 C CB . GLU 233 233 ? A -2.611 -6.082 10.880 1.000 1 A 95.162 1 ATOM 1889 C CG . GLU 233 233 ? A -3.522 -7.298 10.966 1.000 1 A 95.162 1 ATOM 1890 C CD . GLU 233 233 ? A -4.064 -7.739 9.615 1.000 1 A 95.162 1 ATOM 1891 O OE1 . GLU 233 233 ? A -5.137 -8.382 9.572 1.000 1 A 95.162 1 ATOM 1892 O OE2 . GLU 233 233 ? A -3.408 -7.439 8.592 1.000 1 A 95.162 1 ATOM 1893 N N . ILE 234 234 ? A -5.668 -4.444 11.291 1.000 1 A 96.291 1 ATOM 1894 C CA . ILE 234 234 ? A -6.789 -4.132 12.171 1.000 1 A 96.291 1 ATOM 1895 C C . ILE 234 234 ? A -8.036 -4.877 11.701 1.000 1 A 96.291 1 ATOM 1896 O O . ILE 234 234 ? A -8.174 -5.181 10.513 1.000 1 A 96.291 1 ATOM 1897 C CB . ILE 234 234 ? A -7.061 -2.612 12.223 1.000 1 A 96.291 1 ATOM 1898 C CG1 . ILE 234 234 ? A -8.111 -2.294 13.294 1.000 1 A 96.291 1 ATOM 1899 C CG2 . ILE 234 234 ? A -7.502 -2.095 10.851 1.000 1 A 96.291 1 ATOM 1900 C CD1 . ILE 234 234 ? A -8.269 -0.808 13.584 1.000 1 A 96.291 1 ATOM 1901 N N . THR 235 235 ? A -8.868 -5.220 12.606 1.000 1 A 95.733 1 ATOM 1902 C CA . THR 235 235 ? A -10.120 -5.893 12.275 1.000 1 A 95.733 1 ATOM 1903 C C . THR 235 235 ? A -11.315 -5.092 12.783 1.000 1 A 95.733 1 ATOM 1904 O O . THR 235 235 ? A -11.397 -4.775 13.972 1.000 1 A 95.733 1 ATOM 1905 C CB . THR 235 235 ? A -10.163 -7.314 12.866 1.000 1 A 95.733 1 ATOM 1906 O OG1 . THR 235 235 ? A -9.048 -8.066 12.369 1.000 1 A 95.733 1 ATOM 1907 C CG2 . THR 235 235 ? A -11.454 -8.030 12.483 1.000 1 A 95.733 1 ATOM 1908 N N . LEU 236 236 ? A -12.283 -4.743 11.835 1.000 1 A 96.411 1 ATOM 1909 C CA . LEU 236 236 ? A -13.558 -4.100 12.137 1.000 1 A 96.411 1 ATOM 1910 C C . LEU 236 236 ? A -14.726 -5.009 11.767 1.000 1 A 96.411 1 ATOM 1911 O O . LEU 236 236 ? A -14.900 -5.357 10.597 1.000 1 A 96.411 1 ATOM 1912 C CB . LEU 236 236 ? A -13.677 -2.768 11.393 1.000 1 A 96.411 1 ATOM 1913 C CG . LEU 236 236 ? A -12.894 -1.592 11.980 1.000 1 A 96.411 1 ATOM 1914 C CD1 . LEU 236 236 ? A -11.405 -1.917 12.026 1.000 1 A 96.411 1 ATOM 1915 C CD2 . LEU 236 236 ? A -13.145 -0.325 11.169 1.000 1 A 96.411 1 ATOM 1916 N N . THR 237 237 ? A -15.542 -5.347 12.819 1.000 1 A 95.366 1 ATOM 1917 C CA . THR 237 237 ? A -16.667 -6.240 12.566 1.000 1 A 95.366 1 ATOM 1918 C C . THR 237 237 ? A -17.958 -5.661 13.139 1.000 1 A 95.366 1 ATOM 1919 O O . THR 237 237 ? A -17.997 -5.247 14.299 1.000 1 A 95.366 1 ATOM 1920 C CB . THR 237 237 ? A -16.418 -7.637 13.166 1.000 1 A 95.366 1 ATOM 1921 O OG1 . THR 237 237 ? A -15.118 -8.094 12.771 1.000 1 A 95.366 1 ATOM 1922 C CG2 . THR 237 237 ? A -17.464 -8.637 12.685 1.000 1 A 95.366 1 ATOM 1923 N N . TRP 238 238 ? A -18.998 -5.645 12.312 1.000 1 A 96.072 1 ATOM 1924 C CA . TRP 238 238 ? A -20.323 -5.260 12.786 1.000 1 A 96.072 1 ATOM 1925 C C . TRP 238 238 ? A -21.074 -6.464 13.344 1.000 1 A 96.072 1 ATOM 1926 O O . TRP 238 238 ? A -21.019 -7.556 12.774 1.000 1 A 96.072 1 ATOM 1927 C CB . TRP 238 238 ? A -21.132 -4.617 11.656 1.000 1 A 96.072 1 ATOM 1928 C CG . TRP 238 238 ? A -20.802 -3.174 11.415 1.000 1 A 96.072 1 ATOM 1929 C CD1 . TRP 238 238 ? A -20.046 -2.661 10.398 1.000 1 A 96.072 1 ATOM 1930 C CD2 . TRP 238 238 ? A -21.215 -2.059 12.211 1.000 1 A 96.072 1 ATOM 1931 N NE1 . TRP 238 238 ? A -19.964 -1.293 10.514 1.000 1 A 96.072 1 ATOM 1932 C CE2 . TRP 238 238 ? A -20.672 -0.898 11.617 1.000 1 A 96.072 1 ATOM 1933 C CE3 . TRP 238 238 ? A -21.992 -1.928 13.369 1.000 1 A 96.072 1 ATOM 1934 C CZ2 . TRP 238 238 ? A -20.883 0.379 12.143 1.000 1 A 96.072 1 ATOM 1935 C CZ3 . TRP 238 238 ? A -22.201 -0.657 13.892 1.000 1 A 96.072 1 ATOM 1936 C CH2 . TRP 238 238 ? A -21.647 0.478 13.277 1.000 1 A 96.072 1 ATOM 1937 N N . GLN 239 239 ? A -21.733 -6.230 14.462 1.000 1 A 95.203 1 ATOM 1938 C CA . GLN 239 239 ? A -22.575 -7.247 15.082 1.000 1 A 95.203 1 ATOM 1939 C C . GLN 239 239 ? A -23.975 -6.707 15.360 1.000 1 A 95.203 1 ATOM 1940 O O . GLN 239 239 ? A -24.134 -5.548 15.750 1.000 1 A 95.203 1 ATOM 1941 C CB . GLN 239 239 ? A -21.941 -7.753 16.379 1.000 1 A 95.203 1 ATOM 1942 C CG . GLN 239 239 ? A -20.619 -8.481 16.173 1.000 1 A 95.203 1 ATOM 1943 C CD . GLN 239 239 ? A -20.041 -9.024 17.467 1.000 1 A 95.203 1 ATOM 1944 O OE1 . GLN 239 239 ? A -20.348 -8.528 18.556 1.000 1 A 95.203 1 ATOM 1945 N NE2 . GLN 239 239 ? A -19.199 -10.046 17.357 1.000 1 A 95.203 1 ATOM 1946 N N . GLN 240 240 ? A -24.925 -7.538 15.053 1.000 1 A 94.341 1 ATOM 1947 C CA . GLN 240 240 ? A -26.313 -7.299 15.433 1.000 1 A 94.341 1 ATOM 1948 C C . GLN 240 240 ? A -26.735 -8.215 16.579 1.000 1 A 94.341 1 ATOM 1949 O O . GLN 240 240 ? A -26.773 -9.437 16.422 1.000 1 A 94.341 1 ATOM 1950 C CB . GLN 240 240 ? A -27.241 -7.498 14.234 1.000 1 A 94.341 1 ATOM 1951 C CG . GLN 240 240 ? A -28.705 -7.205 14.533 1.000 1 A 94.341 1 ATOM 1952 C CD . GLN 240 240 ? A -29.614 -7.489 13.352 1.000 1 A 94.341 1 ATOM 1953 O OE1 . GLN 240 240 ? A -29.158 -7.935 12.294 1.000 1 A 94.341 1 ATOM 1954 N NE2 . GLN 240 240 ? A -30.906 -7.233 13.524 1.000 1 A 94.341 1 ATOM 1955 N N . ASP 241 241 ? A -26.958 -7.663 17.727 1.000 1 A 91.675 1 ATOM 1956 C CA . ASP 241 241 ? A -27.353 -8.439 18.899 1.000 1 A 91.675 1 ATOM 1957 C C . ASP 241 241 ? A -26.335 -9.538 19.198 1.000 1 A 91.675 1 ATOM 1958 O O . ASP 241 241 ? A -26.710 -10.676 19.488 1.000 1 A 91.675 1 ATOM 1959 C CB . ASP 241 241 ? A -28.741 -9.049 18.696 1.000 1 A 91.675 1 ATOM 1960 C CG . ASP 241 241 ? A -29.840 -8.004 18.602 1.000 1 A 91.675 1 ATOM 1961 O OD1 . ASP 241 241 ? A -29.822 -7.028 19.382 1.000 1 A 91.675 1 ATOM 1962 O OD2 . ASP 241 241 ? A -30.733 -8.160 17.741 1.000 1 A 91.675 1 ATOM 1963 N N . GLY 242 242 ? A -25.094 -9.242 18.895 1.000 1 A 88.096 1 ATOM 1964 C CA . GLY 242 242 ? A -24.020 -10.155 19.252 1.000 1 A 88.096 1 ATOM 1965 C C . GLY 242 242 ? A -23.644 -11.102 18.129 1.000 1 A 88.096 1 ATOM 1966 O O . GLY 242 242 ? A -22.668 -11.847 18.239 1.000 1 A 88.096 1 ATOM 1967 N N . GLU 243 243 ? A -24.397 -11.135 17.068 1.000 1 A 90.610 1 ATOM 1968 C CA . GLU 243 243 ? A -24.112 -12.015 15.939 1.000 1 A 90.610 1 ATOM 1969 C C . GLU 243 243 ? A -23.429 -11.256 14.805 1.000 1 A 90.610 1 ATOM 1970 O O . GLU 243 243 ? A -23.834 -10.143 14.464 1.000 1 A 90.610 1 ATOM 1971 C CB . GLU 243 243 ? A -25.399 -12.673 15.432 1.000 1 A 90.610 1 ATOM 1972 C CG . GLU 243 243 ? A -26.032 -13.634 16.428 1.000 1 A 90.610 1 ATOM 1973 C CD . GLU 243 243 ? A -27.253 -14.352 15.875 1.000 1 A 90.610 1 ATOM 1974 O OE1 . GLU 243 243 ? A -27.826 -15.209 16.586 1.000 1 A 90.610 1 ATOM 1975 O OE2 . GLU 243 243 ? A -27.638 -14.056 14.722 1.000 1 A 90.610 1 ATOM 1976 N N . GLY 244 244 ? A -22.322 -11.825 14.321 1.000 1 A 84.747 1 ATOM 1977 C CA . GLY 244 244 ? A -21.589 -11.224 13.218 1.000 1 A 84.747 1 ATOM 1978 C C . GLY 244 244 ? A -22.466 -10.907 12.021 1.000 1 A 84.747 1 ATOM 1979 O O . GLY 244 244 ? A -23.383 -11.666 11.698 1.000 1 A 84.747 1 ATOM 1980 N N . HIS 245 245 ? A -22.386 -9.621 11.685 1.000 1 A 80.347 1 ATOM 1981 C CA . HIS 245 245 ? A -23.059 -9.144 10.482 1.000 1 A 80.347 1 ATOM 1982 C C . HIS 245 245 ? A -22.054 -8.802 9.388 1.000 1 A 80.347 1 ATOM 1983 O O . HIS 245 245 ? A -21.335 -7.805 9.488 1.000 1 A 80.347 1 ATOM 1984 C CB . HIS 245 245 ? A -23.923 -7.923 10.801 1.000 1 A 80.347 1 ATOM 1985 C CG . HIS 245 245 ? A -24.907 -7.587 9.725 1.000 1 A 80.347 1 ATOM 1986 N ND1 . HIS 245 245 ? A -26.131 -8.211 9.615 1.000 1 A 80.347 1 ATOM 1987 C CD2 . HIS 245 245 ? A -24.847 -6.689 8.714 1.000 1 A 80.347 1 ATOM 1988 C CE1 . HIS 245 245 ? A -26.782 -7.710 8.579 1.000 1 A 80.347 1 ATOM 1989 N NE2 . HIS 245 245 ? A -26.025 -6.785 8.015 1.000 1 A 80.347 1 ATOM 1990 N N . THR 246 246 ? A -21.969 -9.661 8.347 1.000 1 A 75.534 1 ATOM 1991 C CA . THR 246 246 ? A -21.027 -9.408 7.262 1.000 1 A 75.534 1 ATOM 1992 C C . THR 246 246 ? A -21.763 -8.980 5.996 1.000 1 A 75.534 1 ATOM 1993 O O . THR 246 246 ? A -21.195 -8.294 5.144 1.000 1 A 75.534 1 ATOM 1994 C CB . THR 246 246 ? A -20.170 -10.653 6.965 1.000 1 A 75.534 1 ATOM 1995 O OG1 . THR 246 246 ? A -21.032 -11.765 6.694 1.000 1 A 75.534 1 ATOM 1996 C CG2 . THR 246 246 ? A -19.271 -10.997 8.148 1.000 1 A 75.534 1 ATOM 1997 N N . GLN 247 247 ? A -23.137 -9.303 6.025 1.000 1 A 74.200 1 ATOM 1998 C CA . GLN 247 247 ? A -23.920 -9.007 4.830 1.000 1 A 74.200 1 ATOM 1999 C C . GLN 247 247 ? A -24.272 -7.524 4.757 1.000 1 A 74.200 1 ATOM 2000 O O . GLN 247 247 ? A -24.639 -6.917 5.766 1.000 1 A 74.200 1 ATOM 2001 C CB . GLN 247 247 ? A -25.194 -9.852 4.799 1.000 1 A 74.200 1 ATOM 2002 C CG . GLN 247 247 ? A -25.844 -9.935 3.425 1.000 1 A 74.200 1 ATOM 2003 C CD . GLN 247 247 ? A -27.013 -10.901 3.386 1.000 1 A 74.200 1 ATOM 2004 O OE1 . GLN 247 247 ? A -27.328 -11.556 4.384 1.000 1 A 74.200 1 ATOM 2005 N NE2 . GLN 247 247 ? A -27.664 -10.998 2.231 1.000 1 A 74.200 1 ATOM 2006 N N . ASP 248 248 ? A -23.946 -6.799 3.712 1.000 1 A 77.146 1 ATOM 2007 C CA . ASP 248 248 ? A -24.327 -5.414 3.452 1.000 1 A 77.146 1 ATOM 2008 C C . ASP 248 248 ? A -23.368 -4.443 4.136 1.000 1 A 77.146 1 ATOM 2009 O O . ASP 248 248 ? A -23.742 -3.311 4.450 1.000 1 A 77.146 1 ATOM 2010 C CB . ASP 248 248 ? A -25.761 -5.155 3.919 1.000 1 A 77.146 1 ATOM 2011 C CG . ASP 248 248 ? A -26.789 -5.974 3.159 1.000 1 A 77.146 1 ATOM 2012 O OD1 . ASP 248 248 ? A -26.650 -6.140 1.928 1.000 1 A 77.146 1 ATOM 2013 O OD2 . ASP 248 248 ? A -27.750 -6.457 3.798 1.000 1 A 77.146 1 ATOM 2014 N N . THR 249 249 ? A -22.303 -5.107 4.614 1.000 1 A 85.018 1 ATOM 2015 C CA . THR 249 249 ? A -21.266 -4.268 5.205 1.000 1 A 85.018 1 ATOM 2016 C C . THR 249 249 ? A -20.303 -3.764 4.134 1.000 1 A 85.018 1 ATOM 2017 O O . THR 249 249 ? A -19.823 -4.543 3.308 1.000 1 A 85.018 1 ATOM 2018 C CB . THR 249 249 ? A -20.481 -5.029 6.289 1.000 1 A 85.018 1 ATOM 2019 O OG1 . THR 249 249 ? A -21.394 -5.501 7.288 1.000 1 A 85.018 1 ATOM 2020 C CG2 . THR 249 249 ? A -19.443 -4.129 6.950 1.000 1 A 85.018 1 ATOM 2021 N N . GLU 250 250 ? A -20.304 -2.435 4.077 1.000 1 A 89.206 1 ATOM 2022 C CA . GLU 250 250 ? A -19.271 -1.809 3.257 1.000 1 A 89.206 1 ATOM 2023 C C . GLU 250 250 ? A -17.973 -1.636 4.041 1.000 1 A 89.206 1 ATOM 2024 O O . GLU 250 250 ? A -17.978 -1.088 5.146 1.000 1 A 89.206 1 ATOM 2025 C CB . GLU 250 250 ? A -19.750 -0.455 2.727 1.000 1 A 89.206 1 ATOM 2026 C CG . GLU 250 250 ? A -18.783 0.203 1.755 1.000 1 A 89.206 1 ATOM 2027 C CD . GLU 250 250 ? A -19.234 1.581 1.299 1.000 1 A 89.206 1 ATOM 2028 O OE1 . GLU 250 250 ? A -18.475 2.258 0.569 1.000 1 A 89.206 1 ATOM 2029 O OE2 . GLU 250 250 ? A -20.356 1.987 1.676 1.000 1 A 89.206 1 ATOM 2030 N N . LEU 251 251 ? A -16.893 -2.121 3.366 1.000 1 A 86.456 1 ATOM 2031 C CA . LEU 251 251 ? A -15.585 -2.038 4.007 1.000 1 A 86.456 1 ATOM 2032 C C . LEU 251 251 ? A -14.601 -1.264 3.137 1.000 1 A 86.456 1 ATOM 2033 O O . LEU 251 251 ? A -14.446 -1.564 1.951 1.000 1 A 86.456 1 ATOM 2034 C CB . LEU 251 251 ? A -15.039 -3.439 4.294 1.000 1 A 86.456 1 ATOM 2035 C CG . LEU 251 251 ? A -13.684 -3.507 5.001 1.000 1 A 86.456 1 ATOM 2036 C CD1 . LEU 251 251 ? A -13.817 -3.046 6.448 1.000 1 A 86.456 1 ATOM 2037 C CD2 . LEU 251 251 ? A -13.116 -4.921 4.934 1.000 1 A 86.456 1 ATOM 2038 N N . VAL 252 252 ? A -14.140 -0.302 3.776 1.000 1 A 90.599 1 ATOM 2039 C CA . VAL 252 252 ? A -13.042 0.396 3.114 1.000 1 A 90.599 1 ATOM 2040 C C . VAL 252 252 ? A -11.709 -0.218 3.538 1.000 1 A 90.599 1 ATOM 2041 O O . VAL 252 252 ? A -11.479 -0.459 4.725 1.000 1 A 90.599 1 ATOM 2042 C CB . VAL 252 252 ? A -13.057 1.908 3.431 1.000 1 A 90.599 1 ATOM 2043 C CG1 . VAL 252 252 ? A -11.819 2.593 2.855 1.000 1 A 90.599 1 ATOM 2044 C CG2 . VAL 252 252 ? A -14.331 2.554 2.888 1.000 1 A 90.599 1 ATOM 2045 N N . GLU 253 253 ? A -10.862 -0.502 2.507 1.000 1 A 91.367 1 ATOM 2046 C CA . GLU 253 253 ? A -9.562 -1.108 2.781 1.000 1 A 91.367 1 ATOM 2047 C C . GLU 253 253 ? A -8.711 -0.209 3.673 1.000 1 A 91.367 1 ATOM 2048 O O . GLU 253 253 ? A -8.927 1.004 3.727 1.000 1 A 91.367 1 ATOM 2049 C CB . GLU 253 253 ? A -8.822 -1.406 1.475 1.000 1 A 91.367 1 ATOM 2050 C CG . GLU 253 253 ? A -9.500 -2.459 0.610 1.000 1 A 91.367 1 ATOM 2051 C CD . GLU 253 253 ? A -8.775 -2.716 -0.702 1.000 1 A 91.367 1 ATOM 2052 O OE1 . GLU 253 253 ? A -9.176 -3.639 -1.446 1.000 1 A 91.367 1 ATOM 2053 O OE2 . GLU 253 253 ? A -7.796 -1.990 -0.986 1.000 1 A 91.367 1 ATOM 2054 N N . THR 254 254 ? A -7.843 -0.833 4.442 1.000 1 A 95.447 1 ATOM 2055 C CA . THR 254 254 ? A -6.874 -0.067 5.219 1.000 1 A 95.447 1 ATOM 2056 C C . THR 254 254 ? A -6.047 0.838 4.311 1.000 1 A 95.447 1 ATOM 2057 O O . THR 254 254 ? A -5.478 0.378 3.319 1.000 1 A 95.447 1 ATOM 2058 C CB . THR 254 254 ? A -5.938 -0.996 6.014 1.000 1 A 95.447 1 ATOM 2059 O OG1 . THR 254 254 ? A -6.722 -1.840 6.866 1.000 1 A 95.447 1 ATOM 2060 C CG2 . THR 254 254 ? A -4.964 -0.193 6.871 1.000 1 A 95.447 1 ATOM 2061 N N . ARG 255 255 ? A -6.006 2.038 4.691 1.000 1 A 95.227 1 ATOM 2062 C CA . ARG 255 255 ? A -5.318 3.019 3.858 1.000 1 A 95.227 1 ATOM 2063 C C . ARG 255 255 ? A -4.384 3.888 4.694 1.000 1 A 95.227 1 ATOM 2064 O O . ARG 255 255 ? A -4.597 4.059 5.896 1.000 1 A 95.227 1 ATOM 2065 C CB . ARG 255 255 ? A -6.327 3.898 3.116 1.000 1 A 95.227 1 ATOM 2066 C CG . ARG 255 255 ? A -7.301 4.625 4.031 1.000 1 A 95.227 1 ATOM 2067 C CD . ARG 255 255 ? A -8.430 5.279 3.247 1.000 1 A 95.227 1 ATOM 2068 N NE . ARG 255 255 ? A -9.383 5.946 4.130 1.000 1 A 95.227 1 ATOM 2069 C CZ . ARG 255 255 ? A -10.573 6.405 3.752 1.000 1 A 95.227 1 ATOM 2070 N NH1 . ARG 255 255 ? A -10.980 6.278 2.494 1.000 1 A 95.227 1 ATOM 2071 N NH2 . ARG 255 255 ? A -11.361 6.996 4.638 1.000 1 A 95.227 1 ATOM 2072 N N . PRO 256 256 ? A -3.304 4.392 4.079 1.000 1 A 96.783 1 ATOM 2073 C CA . PRO 256 256 ? A -2.357 5.247 4.798 1.000 1 A 96.783 1 ATOM 2074 C C . PRO 256 256 ? A -2.900 6.654 5.043 1.000 1 A 96.783 1 ATOM 2075 O O . PRO 256 256 ? A -3.606 7.203 4.194 1.000 1 A 96.783 1 ATOM 2076 C CB . PRO 256 256 ? A -1.141 5.286 3.868 1.000 1 A 96.783 1 ATOM 2077 C CG . PRO 256 256 ? A -1.696 5.044 2.502 1.000 1 A 96.783 1 ATOM 2078 C CD . PRO 256 256 ? A -2.886 4.135 2.625 1.000 1 A 96.783 1 ATOM 2079 N N . ALA 257 257 ? A -2.565 7.189 6.187 1.000 1 A 95.487 1 ATOM 2080 C CA . ALA 257 257 ? A -2.971 8.547 6.541 1.000 1 A 95.487 1 ATOM 2081 C C . ALA 257 257 ? A -1.953 9.570 6.046 1.000 1 A 95.487 1 ATOM 2082 O O . ALA 257 257 ? A -2.225 10.773 6.040 1.000 1 A 95.487 1 ATOM 2083 C CB . ALA 257 257 ? A -3.155 8.671 8.051 1.000 1 A 95.487 1 ATOM 2084 N N . GLY 258 258 ? A -0.714 9.118 5.630 1.000 1 A 91.573 1 ATOM 2085 C CA . GLY 258 258 ? A 0.318 10.014 5.131 1.000 1 A 91.573 1 ATOM 2086 C C . GLY 258 258 ? A 1.351 10.377 6.180 1.000 1 A 91.573 1 ATOM 2087 O O . GLY 258 258 ? A 2.335 11.058 5.880 1.000 1 A 91.573 1 ATOM 2088 N N . ASP 259 259 ? A 1.162 9.962 7.378 1.000 1 A 92.784 1 ATOM 2089 C CA . ASP 259 259 ? A 2.085 10.298 8.458 1.000 1 A 92.784 1 ATOM 2090 C C . ASP 259 259 ? A 2.676 9.039 9.087 1.000 1 A 92.784 1 ATOM 2091 O O . ASP 259 259 ? A 3.174 9.078 10.214 1.000 1 A 92.784 1 ATOM 2092 C CB . ASP 259 259 ? A 1.379 11.138 9.524 1.000 1 A 92.784 1 ATOM 2093 C CG . ASP 259 259 ? A 0.230 10.404 10.193 1.000 1 A 92.784 1 ATOM 2094 O OD1 . ASP 259 259 ? A -0.120 9.288 9.752 1.000 1 A 92.784 1 ATOM 2095 O OD2 . ASP 259 259 ? A -0.332 10.948 11.168 1.000 1 A 92.784 1 ATOM 2096 N N . GLY 260 260 ? A 2.509 7.921 8.427 1.000 1 A 92.846 1 ATOM 2097 C CA . GLY 260 260 ? A 3.039 6.666 8.935 1.000 1 A 92.846 1 ATOM 2098 C C . GLY 260 260 ? A 2.005 5.833 9.668 1.000 1 A 92.846 1 ATOM 2099 O O . GLY 260 260 ? A 2.282 4.701 10.069 1.000 1 A 92.846 1 ATOM 2100 N N . THR 261 261 ? A 0.789 6.397 9.864 1.000 1 A 96.501 1 ATOM 2101 C CA . THR 261 261 ? A -0.315 5.676 10.488 1.000 1 A 96.501 1 ATOM 2102 C C . THR 261 261 ? A -1.371 5.301 9.452 1.000 1 A 96.501 1 ATOM 2103 O O . THR 261 261 ? A -1.231 5.625 8.271 1.000 1 A 96.501 1 ATOM 2104 C CB . THR 261 261 ? A -0.965 6.510 11.608 1.000 1 A 96.501 1 ATOM 2105 O OG1 . THR 261 261 ? A -1.581 7.670 11.035 1.000 1 A 96.501 1 ATOM 2106 C CG2 . THR 261 261 ? A 0.072 6.955 12.635 1.000 1 A 96.501 1 ATOM 2107 N N . PHE 262 262 ? A -2.389 4.611 9.877 1.000 1 A 97.616 1 ATOM 2108 C CA . PHE 262 262 ? A -3.383 4.074 8.954 1.000 1 A 97.616 1 ATOM 2109 C C . PHE 262 262 ? A -4.792 4.440 9.403 1.000 1 A 97.616 1 ATOM 2110 O O . PHE 262 262 ? A -5.001 4.835 10.553 1.000 1 A 97.616 1 ATOM 2111 C CB . PHE 262 262 ? A -3.246 2.552 8.841 1.000 1 A 97.616 1 ATOM 2112 C CG . PHE 262 262 ? A -1.917 2.101 8.299 1.000 1 A 97.616 1 ATOM 2113 C CD1 . PHE 262 262 ? A -1.730 1.930 6.933 1.000 1 A 97.616 1 ATOM 2114 C CD2 . PHE 262 262 ? A -0.854 1.847 9.156 1.000 1 A 97.616 1 ATOM 2115 C CE1 . PHE 262 262 ? A -0.500 1.512 6.428 1.000 1 A 97.616 1 ATOM 2116 C CE2 . PHE 262 262 ? A 0.377 1.429 8.659 1.000 1 A 97.616 1 ATOM 2117 C CZ . PHE 262 262 ? A 0.552 1.262 7.295 1.000 1 A 97.616 1 ATOM 2118 N N . GLN 263 263 ? A -5.713 4.370 8.518 1.000 1 A 97.020 1 ATOM 2119 C CA . GLN 263 263 ? A -7.126 4.527 8.846 1.000 1 A 97.020 1 ATOM 2120 C C . GLN 263 263 ? A -7.980 3.505 8.101 1.000 1 A 97.020 1 ATOM 2121 O O . GLN 263 263 ? A -7.569 2.983 7.062 1.000 1 A 97.020 1 ATOM 2122 C CB . GLN 263 263 ? A -7.599 5.944 8.519 1.000 1 A 97.020 1 ATOM 2123 C CG . GLN 263 263 ? A -7.491 6.303 7.043 1.000 1 A 97.020 1 ATOM 2124 C CD . GLN 263 263 ? A -8.013 7.695 6.738 1.000 1 A 97.020 1 ATOM 2125 O OE1 . GLN 263 263 ? A -8.688 8.315 7.565 1.000 1 A 97.020 1 ATOM 2126 N NE2 . GLN 263 263 ? A -7.704 8.196 5.546 1.000 1 A 97.020 1 ATOM 2127 N N . LYS 264 264 ? A -9.083 3.151 8.646 1.000 1 A 96.773 1 ATOM 2128 C CA . LYS 264 264 ? A -10.024 2.170 8.113 1.000 1 A 96.773 1 ATOM 2129 C C . LYS 264 264 ? A -11.439 2.434 8.619 1.000 1 A 96.773 1 ATOM 2130 O O . LYS 264 264 ? A -11.622 3.004 9.697 1.000 1 A 96.773 1 ATOM 2131 C CB . LYS 264 264 ? A -9.590 0.752 8.486 1.000 1 A 96.773 1 ATOM 2132 C CG . LYS 264 264 ? A -10.377 -0.343 7.780 1.000 1 A 96.773 1 ATOM 2133 C CD . LYS 264 264 ? A -9.797 -1.722 8.066 1.000 1 A 96.773 1 ATOM 2134 C CE . LYS 264 264 ? A -10.512 -2.806 7.271 1.000 1 A 96.773 1 ATOM 2135 N NZ . LYS 264 264 ? A -9.807 -4.119 7.366 1.000 1 A 96.773 1 ATOM 2136 N N . TRP 265 265 ? A -12.472 2.084 7.789 1.000 1 A 95.622 1 ATOM 2137 C CA . TRP 265 265 ? A -13.830 2.154 8.319 1.000 1 A 95.622 1 ATOM 2138 C C . TRP 265 265 ? A -14.714 1.078 7.698 1.000 1 A 95.622 1 ATOM 2139 O O . TRP 265 265 ? A -14.372 0.509 6.658 1.000 1 A 95.622 1 ATOM 2140 C CB . TRP 265 265 ? A -14.435 3.538 8.066 1.000 1 A 95.622 1 ATOM 2141 C CG . TRP 265 265 ? A -14.465 3.935 6.621 1.000 1 A 95.622 1 ATOM 2142 C CD1 . TRP 265 265 ? A -13.577 4.745 5.970 1.000 1 A 95.622 1 ATOM 2143 C CD2 . TRP 265 265 ? A -15.438 3.542 5.648 1.000 1 A 95.622 1 ATOM 2144 N NE1 . TRP 265 265 ? A -13.938 4.879 4.649 1.000 1 A 95.622 1 ATOM 2145 C CE2 . TRP 265 265 ? A -15.076 4.151 4.426 1.000 1 A 95.622 1 ATOM 2146 C CE3 . TRP 265 265 ? A -16.581 2.732 5.690 1.000 1 A 95.622 1 ATOM 2147 C CZ2 . TRP 265 265 ? A -15.818 3.975 3.255 1.000 1 A 95.622 1 ATOM 2148 C CZ3 . TRP 265 265 ? A -17.318 2.558 4.524 1.000 1 A 95.622 1 ATOM 2149 C CH2 . TRP 265 265 ? A -16.931 3.178 3.324 1.000 1 A 95.622 1 ATOM 2150 N N . ALA 266 266 ? A -15.721 0.757 8.405 1.000 1 A 95.823 1 ATOM 2151 C CA . ALA 266 266 ? A -16.754 -0.183 7.977 1.000 1 A 95.823 1 ATOM 2152 C C . ALA 266 266 ? A -18.148 0.384 8.228 1.000 1 A 95.823 1 ATOM 2153 O O . ALA 266 266 ? A -18.402 0.983 9.276 1.000 1 A 95.823 1 ATOM 2154 C CB . ALA 266 266 ? A -16.588 -1.519 8.696 1.000 1 A 95.823 1 ATOM 2155 N N . ALA 267 267 ? A -19.026 0.196 7.176 1.000 1 A 95.289 1 ATOM 2156 C CA . ALA 267 267 ? A -20.366 0.768 7.282 1.000 1 A 95.289 1 ATOM 2157 C C . ALA 267 267 ? A -21.436 -0.302 7.082 1.000 1 A 95.289 1 ATOM 2158 O O . ALA 267 267 ? A -21.215 -1.284 6.370 1.000 1 A 95.289 1 ATOM 2159 C CB . ALA 267 267 ? A -20.546 1.893 6.266 1.000 1 A 95.289 1 ATOM 2160 N N . VAL 268 268 ? A -22.613 -0.077 7.757 1.000 1 A 95.234 1 ATOM 2161 C CA . VAL 268 268 ? A -23.748 -0.984 7.625 1.000 1 A 95.234 1 ATOM 2162 C C . VAL 268 268 ? A -25.045 -0.182 7.549 1.000 1 A 95.234 1 ATOM 2163 O O . VAL 268 268 ? A -25.211 0.812 8.260 1.000 1 A 95.234 1 ATOM 2164 C CB . VAL 268 268 ? A -23.811 -1.988 8.798 1.000 1 A 95.234 1 ATOM 2165 C CG1 . VAL 268 268 ? A -24.068 -1.262 10.117 1.000 1 A 95.234 1 ATOM 2166 C CG2 . VAL 268 268 ? A -24.891 -3.038 8.544 1.000 1 A 95.234 1 ATOM 2167 N N . VAL 269 269 ? A -25.878 -0.550 6.617 1.000 1 A 94.732 1 ATOM 2168 C CA . VAL 269 269 ? A -27.213 0.035 6.535 1.000 1 A 94.732 1 ATOM 2169 C C . VAL 269 269 ? A -28.142 -0.654 7.532 1.000 1 A 94.732 1 ATOM 2170 O O . VAL 269 269 ? A -28.250 -1.883 7.542 1.000 1 A 94.732 1 ATOM 2171 C CB . VAL 269 269 ? A -27.791 -0.070 5.106 1.000 1 A 94.732 1 ATOM 2172 C CG1 . VAL 269 269 ? A -29.205 0.506 5.053 1.000 1 A 94.732 1 ATOM 2173 C CG2 . VAL 269 269 ? A -26.882 0.645 4.109 1.000 1 A 94.732 1 ATOM 2174 N N . VAL 270 270 ? A -28.802 0.177 8.346 1.000 1 A 94.138 1 ATOM 2175 C CA . VAL 270 270 ? A -29.631 -0.381 9.410 1.000 1 A 94.138 1 ATOM 2176 C C . VAL 270 270 ? A -31.016 0.261 9.378 1.000 1 A 94.138 1 ATOM 2177 O O . VAL 270 270 ? A -31.176 1.382 8.889 1.000 1 A 94.138 1 ATOM 2178 C CB . VAL 270 270 ? A -28.982 -0.181 10.798 1.000 1 A 94.138 1 ATOM 2179 C CG1 . VAL 270 270 ? A -27.591 -0.811 10.841 1.000 1 A 94.138 1 ATOM 2180 C CG2 . VAL 270 270 ? A -28.910 1.305 11.144 1.000 1 A 94.138 1 ATOM 2181 N N . PRO 271 271 ? A -32.059 -0.479 9.913 1.000 1 A 94.561 1 ATOM 2182 C CA . PRO 271 271 ? A -33.378 0.141 10.061 1.000 1 A 94.561 1 ATOM 2183 C C . PRO 271 271 ? A -33.386 1.275 11.085 1.000 1 A 94.561 1 ATOM 2184 O O . PRO 271 271 ? A -32.806 1.140 12.165 1.000 1 A 94.561 1 ATOM 2185 C CB . PRO 271 271 ? A -34.263 -1.019 10.525 1.000 1 A 94.561 1 ATOM 2186 C CG . PRO 271 271 ? A -33.493 -2.251 10.173 1.000 1 A 94.561 1 ATOM 2187 C CD . PRO 271 271 ? A -32.027 -1.932 10.237 1.000 1 A 94.561 1 ATOM 2188 N N . SER 272 272 ? A -34.030 2.359 10.627 1.000 1 A 92.495 1 ATOM 2189 C CA . SER 272 272 ? A -34.137 3.480 11.555 1.000 1 A 92.495 1 ATOM 2190 C C . SER 272 272 ? A -34.852 3.068 12.838 1.000 1 A 92.495 1 ATOM 2191 O O . SER 272 272 ? A -35.845 2.339 12.795 1.000 1 A 92.495 1 ATOM 2192 C CB . SER 272 272 ? A -34.877 4.648 10.903 1.000 1 A 92.495 1 ATOM 2193 O OG . SER 272 272 ? A -34.110 5.203 9.848 1.000 1 A 92.495 1 ATOM 2194 N N . GLY 273 273 ? A -34.301 3.344 14.000 1.000 1 A 90.598 1 ATOM 2195 C CA . GLY 273 273 ? A -34.865 2.982 15.291 1.000 1 A 90.598 1 ATOM 2196 C C . GLY 273 273 ? A -34.237 1.737 15.889 1.000 1 A 90.598 1 ATOM 2197 O O . GLY 273 273 ? A -34.445 1.434 17.065 1.000 1 A 90.598 1 ATOM 2198 N N . GLU 274 274 ? A -33.587 1.025 15.071 1.000 1 A 93.254 1 ATOM 2199 C CA . GLU 274 274 ? A -32.958 -0.205 15.545 1.000 1 A 93.254 1 ATOM 2200 C C . GLU 274 274 ? A -31.440 -0.063 15.598 1.000 1 A 93.254 1 ATOM 2201 O O . GLU 274 274 ? A -30.719 -1.062 15.635 1.000 1 A 93.254 1 ATOM 2202 C CB . GLU 274 274 ? A -33.345 -1.386 14.651 1.000 1 A 93.254 1 ATOM 2203 C CG . GLU 274 274 ? A -34.834 -1.703 14.662 1.000 1 A 93.254 1 ATOM 2204 C CD . GLU 274 274 ? A -35.185 -2.956 13.875 1.000 1 A 93.254 1 ATOM 2205 O OE1 . GLU 274 274 ? A -36.380 -3.161 13.563 1.000 1 A 93.254 1 ATOM 2206 O OE2 . GLU 274 274 ? A -34.259 -3.739 13.570 1.000 1 A 93.254 1 ATOM 2207 N N . GLU 275 275 ? A -30.938 1.112 15.508 1.000 1 A 93.468 1 ATOM 2208 C CA . GLU 275 275 ? A -29.504 1.371 15.430 1.000 1 A 93.468 1 ATOM 2209 C C . GLU 275 275 ? A -28.780 0.840 16.665 1.000 1 A 93.468 1 ATOM 2210 O O . GLU 275 275 ? A -27.637 0.387 16.574 1.000 1 A 93.468 1 ATOM 2211 C CB . GLU 275 275 ? A -29.235 2.869 15.267 1.000 1 A 93.468 1 ATOM 2212 C CG . GLU 275 275 ? A -29.782 3.454 13.973 1.000 1 A 93.468 1 ATOM 2213 C CD . GLU 275 275 ? A -31.213 3.952 14.098 1.000 1 A 93.468 1 ATOM 2214 O OE1 . GLU 275 275 ? A -31.656 4.748 13.239 1.000 1 A 93.468 1 ATOM 2215 O OE2 . GLU 275 275 ? A -31.897 3.544 15.063 1.000 1 A 93.468 1 ATOM 2216 N N . GLN 276 276 ? A -29.462 0.789 17.700 1.000 1 A 92.931 1 ATOM 2217 C CA . GLN 276 276 ? A -28.866 0.431 18.983 1.000 1 A 92.931 1 ATOM 2218 C C . GLN 276 276 ? A -28.570 -1.064 19.054 1.000 1 A 92.931 1 ATOM 2219 O O . GLN 276 276 ? A -27.848 -1.518 19.944 1.000 1 A 92.931 1 ATOM 2220 C CB . GLN 276 276 ? A -29.785 0.840 20.134 1.000 1 A 92.931 1 ATOM 2221 C CG . GLN 276 276 ? A -29.946 2.347 20.288 1.000 1 A 92.931 1 ATOM 2222 C CD . GLN 276 276 ? A -28.629 3.055 20.544 1.000 1 A 92.931 1 ATOM 2223 O OE1 . GLN 276 276 ? A -27.827 2.620 21.376 1.000 1 A 92.931 1 ATOM 2224 N NE2 . GLN 276 276 ? A -28.398 4.152 19.832 1.000 1 A 92.931 1 ATOM 2225 N N . ARG 277 277 ? A -29.066 -1.820 18.196 1.000 1 A 94.269 1 ATOM 2226 C CA . ARG 277 277 ? A -28.874 -3.266 18.151 1.000 1 A 94.269 1 ATOM 2227 C C . ARG 277 277 ? A -27.548 -3.621 17.487 1.000 1 A 94.269 1 ATOM 2228 O O . ARG 277 277 ? A -27.117 -4.776 17.528 1.000 1 A 94.269 1 ATOM 2229 C CB . ARG 277 277 ? A -30.030 -3.939 17.408 1.000 1 A 94.269 1 ATOM 2230 C CG . ARG 277 277 ? A -31.368 -3.826 18.119 1.000 1 A 94.269 1 ATOM 2231 C CD . ARG 277 277 ? A -32.500 -4.414 17.288 1.000 1 A 94.269 1 ATOM 2232 N NE . ARG 277 277 ? A -32.318 -5.845 17.064 1.000 1 A 94.269 1 ATOM 2233 C CZ . ARG 277 277 ? A -33.124 -6.605 16.328 1.000 1 A 94.269 1 ATOM 2234 N NH1 . ARG 277 277 ? A -34.188 -6.084 15.728 1.000 1 A 94.269 1 ATOM 2235 N NH2 . ARG 277 277 ? A -32.865 -7.898 16.191 1.000 1 A 94.269 1 ATOM 2236 N N . TYR 278 278 ? A -26.957 -2.630 16.858 1.000 1 A 95.372 1 ATOM 2237 C CA . TYR 278 278 ? A -25.735 -2.863 16.098 1.000 1 A 95.372 1 ATOM 2238 C C . TYR 278 278 ? A -24.517 -2.342 16.850 1.000 1 A 95.372 1 ATOM 2239 O O . TYR 278 278 ? A -24.536 -1.229 17.381 1.000 1 A 95.372 1 ATOM 2240 C CB . TYR 278 278 ? A -25.823 -2.197 14.721 1.000 1 A 95.372 1 ATOM 2241 C CG . TYR 278 278 ? A -26.864 -2.809 13.816 1.000 1 A 95.372 1 ATOM 2242 C CD1 . TYR 278 278 ? A -26.504 -3.711 12.817 1.000 1 A 95.372 1 ATOM 2243 C CD2 . TYR 278 278 ? A -28.209 -2.486 13.957 1.000 1 A 95.372 1 ATOM 2244 C CE1 . TYR 278 278 ? A -27.460 -4.276 11.980 1.000 1 A 95.372 1 ATOM 2245 C CE2 . TYR 278 278 ? A -29.174 -3.044 13.125 1.000 1 A 95.372 1 ATOM 2246 C CZ . TYR 278 278 ? A -28.791 -3.937 12.141 1.000 1 A 95.372 1 ATOM 2247 O OH . TYR 278 278 ? A -29.741 -4.493 11.315 1.000 1 A 95.372 1 ATOM 2248 N N . THR 279 279 ? A -23.515 -3.172 16.929 1.000 1 A 96.789 1 ATOM 2249 C CA . THR 279 279 ? A -22.255 -2.790 17.559 1.000 1 A 96.789 1 ATOM 2250 C C . THR 279 279 ? A -21.079 -3.070 16.628 1.000 1 A 96.789 1 ATOM 2251 O O . THR 279 279 ? A -21.135 -3.987 15.806 1.000 1 A 96.789 1 ATOM 2252 C CB . THR 279 279 ? A -22.048 -3.534 18.891 1.000 1 A 96.789 1 ATOM 2253 O OG1 . THR 279 279 ? A -22.087 -4.947 18.654 1.000 1 A 96.789 1 ATOM 2254 C CG2 . THR 279 279 ? A -23.134 -3.169 19.899 1.000 1 A 96.789 1 ATOM 2255 N N . CYS 280 280 ? A -20.084 -2.259 16.722 1.000 1 A 96.953 1 ATOM 2256 C CA . CYS 280 280 ? A -18.849 -2.416 15.961 1.000 1 A 96.953 1 ATOM 2257 C C . CYS 280 280 ? A -17.714 -2.897 16.857 1.000 1 A 96.953 1 ATOM 2258 O O . CYS 280 280 ? A -17.387 -2.249 17.853 1.000 1 A 96.953 1 ATOM 2259 C CB . CYS 280 280 ? A -18.460 -1.099 15.292 1.000 1 A 96.953 1 ATOM 2260 S SG . CYS 280 280 ? A -16.924 -1.189 14.345 1.000 1 A 96.953 1 ATOM 2261 N N . HIS 281 281 ? A -17.132 -4.011 16.504 1.000 1 A 96.737 1 ATOM 2262 C CA . HIS 281 281 ? A -16.012 -4.592 17.235 1.000 1 A 96.737 1 ATOM 2263 C C . HIS 281 281 ? A -14.686 -4.281 16.548 1.000 1 A 96.737 1 ATOM 2264 O O . HIS 281 281 ? A -14.504 -4.594 15.370 1.000 1 A 96.737 1 ATOM 2265 C CB . HIS 281 281 ? A -16.189 -6.105 17.374 1.000 1 A 96.737 1 ATOM 2266 C CG . HIS 281 281 ? A -17.287 -6.496 18.311 1.000 1 A 96.737 1 ATOM 2267 N ND1 . HIS 281 281 ? A -17.048 -7.099 19.527 1.000 1 A 96.737 1 ATOM 2268 C CD2 . HIS 281 281 ? A -18.631 -6.368 18.209 1.000 1 A 96.737 1 ATOM 2269 C CE1 . HIS 281 281 ? A -18.201 -7.325 20.134 1.000 1 A 96.737 1 ATOM 2270 N NE2 . HIS 281 281 ? A -19.177 -6.891 19.356 1.000 1 A 96.737 1 ATOM 2271 N N . VAL 282 282 ? A -13.811 -3.690 17.330 1.000 1 A 97.728 1 ATOM 2272 C CA . VAL 282 282 ? A -12.513 -3.279 16.805 1.000 1 A 97.728 1 ATOM 2273 C C . VAL 282 282 ? A -11.400 -4.034 17.528 1.000 1 A 97.728 1 ATOM 2274 O O . VAL 282 282 ? A -11.303 -3.983 18.756 1.000 1 A 97.728 1 ATOM 2275 C CB . VAL 282 282 ? A -12.302 -1.754 16.946 1.000 1 A 97.728 1 ATOM 2276 C CG1 . VAL 282 282 ? A -10.980 -1.331 16.307 1.000 1 A 97.728 1 ATOM 2277 C CG2 . VAL 282 282 ? A -13.469 -0.994 16.319 1.000 1 A 97.728 1 ATOM 2278 N N . GLN 283 283 ? A -10.595 -4.698 16.736 1.000 1 A 97.324 1 ATOM 2279 C CA . GLN 283 283 ? A -9.427 -5.410 17.242 1.000 1 A 97.324 1 ATOM 2280 C C . GLN 283 283 ? A -8.144 -4.891 16.599 1.000 1 A 97.324 1 ATOM 2281 O O . GLN 283 283 ? A -8.057 -4.783 15.374 1.000 1 A 97.324 1 ATOM 2282 C CB . GLN 283 283 ? A -9.566 -6.914 16.996 1.000 1 A 97.324 1 ATOM 2283 C CG . GLN 283 283 ? A -8.477 -7.748 17.655 1.000 1 A 97.324 1 ATOM 2284 C CD . GLN 283 283 ? A -8.720 -9.240 17.523 1.000 1 A 97.324 1 ATOM 2285 O OE1 . GLN 283 283 ? A -9.807 -9.673 17.129 1.000 1 A 97.324 1 ATOM 2286 N NE2 . GLN 283 283 ? A -7.709 -10.037 17.853 1.000 1 A 97.324 1 ATOM 2287 N N . HIS 284 284 ? A -7.243 -4.548 17.482 1.000 1 A 96.443 1 ATOM 2288 C CA . HIS 284 284 ? A -5.954 -4.028 17.039 1.000 1 A 96.443 1 ATOM 2289 C C . HIS 284 284 ? A -4.877 -4.254 18.095 1.000 1 A 96.443 1 ATOM 2290 O O . HIS 284 284 ? A -5.148 -4.156 19.295 1.000 1 A 96.443 1 ATOM 2291 C CB . HIS 284 284 ? A -6.062 -2.539 16.709 1.000 1 A 96.443 1 ATOM 2292 C CG . HIS 284 284 ? A -4.798 -1.952 16.164 1.000 1 A 96.443 1 ATOM 2293 N ND1 . HIS 284 284 ? A -3.925 -1.217 16.937 1.000 1 A 96.443 1 ATOM 2294 C CD2 . HIS 284 284 ? A -4.261 -1.995 14.922 1.000 1 A 96.443 1 ATOM 2295 C CE1 . HIS 284 284 ? A -2.903 -0.832 16.191 1.000 1 A 96.443 1 ATOM 2296 N NE2 . HIS 284 284 ? A -3.083 -1.292 14.965 1.000 1 A 96.443 1 ATOM 2297 N N . GLU 285 285 ? A -3.704 -4.559 17.714 1.000 1 A 93.479 1 ATOM 2298 C CA . GLU 285 285 ? A -2.615 -4.891 18.628 1.000 1 A 93.479 1 ATOM 2299 C C . GLU 285 285 ? A -2.268 -3.706 19.525 1.000 1 A 93.479 1 ATOM 2300 O O . GLU 285 285 ? A -1.660 -3.880 20.584 1.000 1 A 93.479 1 ATOM 2301 C CB . GLU 285 285 ? A -1.377 -5.341 17.849 1.000 1 A 93.479 1 ATOM 2302 C CG . GLU 285 285 ? A -0.272 -5.911 18.726 1.000 1 A 93.479 1 ATOM 2303 C CD . GLU 285 285 ? A 0.944 -6.369 17.936 1.000 1 A 93.479 1 ATOM 2304 O OE1 . GLU 285 285 ? A 1.954 -6.771 18.557 1.000 1 A 93.479 1 ATOM 2305 O OE2 . GLU 285 285 ? A 0.887 -6.324 16.687 1.000 1 A 93.479 1 ATOM 2306 N N . GLY 286 286 ? A -2.600 -2.508 18.994 1.000 1 A 93.493 1 ATOM 2307 C CA . GLY 286 286 ? A -2.353 -1.319 19.795 1.000 1 A 93.493 1 ATOM 2308 C C . GLY 286 286 ? A -3.347 -1.147 20.928 1.000 1 A 93.493 1 ATOM 2309 O O . GLY 286 286 ? A -3.109 -0.372 21.857 1.000 1 A 93.493 1 ATOM 2310 N N . LEU 287 287 ? A -4.445 -1.919 20.917 1.000 1 A 96.295 1 ATOM 2311 C CA . LEU 287 287 ? A -5.459 -1.889 21.965 1.000 1 A 96.295 1 ATOM 2312 C C . LEU 287 287 ? A -5.175 -2.945 23.027 1.000 1 A 96.295 1 ATOM 2313 O O . LEU 287 287 ? A -4.833 -4.084 22.700 1.000 1 A 96.295 1 ATOM 2314 C CB . LEU 287 287 ? A -6.852 -2.110 21.369 1.000 1 A 96.295 1 ATOM 2315 C CG . LEU 287 287 ? A -7.382 -1.004 20.454 1.000 1 A 96.295 1 ATOM 2316 C CD1 . LEU 287 287 ? A -8.584 -1.503 19.660 1.000 1 A 96.295 1 ATOM 2317 C CD2 . LEU 287 287 ? A -7.748 0.233 21.268 1.000 1 A 96.295 1 ATOM 2318 N N . PRO 288 288 ? A -5.284 -2.586 24.307 1.000 1 A 94.329 1 ATOM 2319 C CA . PRO 288 288 ? A -5.091 -3.595 25.352 1.000 1 A 94.329 1 ATOM 2320 C C . PRO 288 288 ? A -6.101 -4.737 25.262 1.000 1 A 94.329 1 ATOM 2321 O O . PRO 288 288 ? A -5.766 -5.886 25.563 1.000 1 A 94.329 1 ATOM 2322 C CB . PRO 288 288 ? A -5.279 -2.801 26.647 1.000 1 A 94.329 1 ATOM 2323 C CG . PRO 288 288 ? A -6.015 -1.567 26.236 1.000 1 A 94.329 1 ATOM 2324 C CD . PRO 288 288 ? A -5.638 -1.237 24.820 1.000 1 A 94.329 1 ATOM 2325 N N . GLU 289 289 ? A -7.363 -4.383 24.936 1.000 1 A 96.107 1 ATOM 2326 C CA . GLU 289 289 ? A -8.454 -5.316 24.670 1.000 1 A 96.107 1 ATOM 2327 C C . GLU 289 289 ? A -9.308 -4.846 23.496 1.000 1 A 96.107 1 ATOM 2328 O O . GLU 289 289 ? A -9.308 -3.661 23.157 1.000 1 A 96.107 1 ATOM 2329 C CB . GLU 289 289 ? A -9.325 -5.495 25.916 1.000 1 A 96.107 1 ATOM 2330 C CG . GLU 289 289 ? A -9.924 -4.198 26.439 1.000 1 A 96.107 1 ATOM 2331 C CD . GLU 289 289 ? A -10.677 -4.370 27.749 1.000 1 A 96.107 1 ATOM 2332 O OE1 . GLU 289 289 ? A -11.231 -3.373 28.266 1.000 1 A 96.107 1 ATOM 2333 O OE2 . GLU 289 289 ? A -10.711 -5.510 28.263 1.000 1 A 96.107 1 ATOM 2334 N N . PRO 290 290 ? A -9.897 -5.777 22.892 1.000 1 A 96.918 1 ATOM 2335 C CA . PRO 290 290 ? A -10.822 -5.366 21.833 1.000 1 A 96.918 1 ATOM 2336 C C . PRO 290 290 ? A -11.873 -4.372 22.321 1.000 1 A 96.918 1 ATOM 2337 O O . PRO 290 290 ? A -12.273 -4.414 23.487 1.000 1 A 96.918 1 ATOM 2338 C CB . PRO 290 290 ? A -11.473 -6.682 21.401 1.000 1 A 96.918 1 ATOM 2339 C CG . PRO 290 290 ? A -10.487 -7.739 21.783 1.000 1 A 96.918 1 ATOM 2340 C CD . PRO 290 290 ? A -9.786 -7.306 23.038 1.000 1 A 96.918 1 ATOM 2341 N N . VAL 291 291 ? A -12.269 -3.407 21.458 1.000 1 A 97.047 1 ATOM 2342 C CA . VAL 291 291 ? A -13.240 -2.371 21.794 1.000 1 A 97.047 1 ATOM 2343 C C . VAL 291 291 ? A -14.546 -2.624 21.046 1.000 1 A 97.047 1 ATOM 2344 O O . VAL 291 291 ? A -14.535 -3.083 19.901 1.000 1 A 97.047 1 ATOM 2345 C CB . VAL 291 291 ? A -12.701 -0.961 21.464 1.000 1 A 97.047 1 ATOM 2346 C CG1 . VAL 291 291 ? A -13.778 0.097 21.697 1.000 1 A 97.047 1 ATOM 2347 C CG2 . VAL 291 291 ? A -11.459 -0.656 22.298 1.000 1 A 97.047 1 ATOM 2348 N N . THR 292 292 ? A -15.627 -2.465 21.754 1.000 1 A 97.199 1 ATOM 2349 C CA . THR 292 292 ? A -16.961 -2.530 21.167 1.000 1 A 97.199 1 ATOM 2350 C C . THR 292 292 ? A -17.638 -1.163 21.209 1.000 1 A 97.199 1 ATOM 2351 O O . THR 292 292 ? A -17.783 -0.569 22.279 1.000 1 A 97.199 1 ATOM 2352 C CB . THR 292 292 ? A -17.841 -3.564 21.893 1.000 1 A 97.199 1 ATOM 2353 O OG1 . THR 292 292 ? A -17.228 -4.856 21.798 1.000 1 A 97.199 1 ATOM 2354 C CG2 . THR 292 292 ? A -19.235 -3.630 21.278 1.000 1 A 97.199 1 ATOM 2355 N N . LEU 293 293 ? A -17.963 -0.714 19.956 1.000 1 A 96.581 1 ATOM 2356 C CA . LEU 293 293 ? A -18.541 0.619 19.835 1.000 1 A 96.581 1 ATOM 2357 C C . LEU 293 293 ? A -20.026 0.539 19.495 1.000 1 A 96.581 1 ATOM 2358 O O . LEU 293 293 ? A -20.452 -0.360 18.767 1.000 1 A 96.581 1 ATOM 2359 C CB . LEU 293 293 ? A -17.803 1.428 18.765 1.000 1 A 96.581 1 ATOM 2360 C CG . LEU 293 293 ? A -16.292 1.573 18.946 1.000 1 A 96.581 1 ATOM 2361 C CD1 . LEU 293 293 ? A -15.658 2.143 17.682 1.000 1 A 96.581 1 ATOM 2362 C CD2 . LEU 293 293 ? A -15.979 2.453 20.151 1.000 1 A 96.581 1 ATOM 2363 N N . ARG 294 294 ? A -20.690 1.434 20.081 1.000 1 A 95.010 1 ATOM 2364 C CA . ARG 294 294 ? A -22.113 1.595 19.799 1.000 1 A 95.010 1 ATOM 2365 C C . ARG 294 294 ? A -22.453 3.055 19.517 1.000 1 A 95.010 1 ATOM 2366 O O . ARG 294 294 ? A -21.895 3.960 20.142 1.000 1 A 95.010 1 ATOM 2367 C CB . ARG 294 294 ? A -22.955 1.077 20.967 1.000 1 A 95.010 1 ATOM 2368 C CG . ARG 294 294 ? A -24.446 1.029 20.677 1.000 1 A 95.010 1 ATOM 2369 C CD . ARG 294 294 ? A -25.221 0.383 21.817 1.000 1 A 95.010 1 ATOM 2370 N NE . ARG 294 294 ? A -24.849 -1.018 21.997 1.000 1 A 95.010 1 ATOM 2371 C CZ . ARG 294 294 ? A -24.780 -1.639 23.170 1.000 1 A 95.010 1 ATOM 2372 N NH1 . ARG 294 294 ? A -25.057 -0.993 24.297 1.000 1 A 95.010 1 ATOM 2373 N NH2 . ARG 294 294 ? A -24.431 -2.917 23.219 1.000 1 A 95.010 1 ATOM 2374 N N . TRP 295 295 ? A -23.329 3.229 18.508 1.000 1 A 93.895 1 ATOM 2375 C CA . TRP 295 295 ? A -23.755 4.596 18.223 1.000 1 A 93.895 1 ATOM 2376 C C . TRP 295 295 ? A -24.669 5.122 19.325 1.000 1 A 93.895 1 ATOM 2377 O O . TRP 295 295 ? A -25.617 4.445 19.729 1.000 1 A 93.895 1 ATOM 2378 C CB . TRP 295 295 ? A -24.472 4.665 16.872 1.000 1 A 93.895 1 ATOM 2379 C CG . TRP 295 295 ? A -25.135 5.982 16.601 1.000 1 A 93.895 1 ATOM 2380 C CD1 . TRP 295 295 ? A -24.524 7.157 16.259 1.000 1 A 93.895 1 ATOM 2381 C CD2 . TRP 295 295 ? A -26.537 6.260 16.655 1.000 1 A 93.895 1 ATOM 2382 N NE1 . TRP 295 295 ? A -25.463 8.149 16.096 1.000 1 A 93.895 1 ATOM 2383 C CE2 . TRP 295 295 ? A -26.705 7.625 16.333 1.000 1 A 93.895 1 ATOM 2384 C CE3 . TRP 295 295 ? A -27.669 5.487 16.944 1.000 1 A 93.895 1 ATOM 2385 C CZ2 . TRP 295 295 ? A -27.963 8.233 16.292 1.000 1 A 93.895 1 ATOM 2386 C CZ3 . TRP 295 295 ? A -28.919 6.093 16.903 1.000 1 A 93.895 1 ATOM 2387 C CH2 . TRP 295 295 ? A -29.053 7.454 16.579 1.000 1 A 93.895 1 ATOM 2388 N N . LYS 296 296 ? A -24.416 6.346 19.831 1.000 1 A 87.846 1 ATOM 2389 C CA . LYS 296 296 ? A -25.280 7.008 20.804 1.000 1 A 87.846 1 ATOM 2390 C C . LYS 296 296 ? A -25.787 8.344 20.269 1.000 1 A 87.846 1 ATOM 2391 O O . LYS 296 296 ? A -25.005 9.156 19.768 1.000 1 A 87.846 1 ATOM 2392 C CB . LYS 296 296 ? A -24.537 7.220 22.124 1.000 1 A 87.846 1 ATOM 2393 C CG . LYS 296 296 ? A -24.229 5.933 22.875 1.000 1 A 87.846 1 ATOM 2394 C CD . LYS 296 296 ? A -23.532 6.211 24.200 1.000 1 A 87.846 1 ATOM 2395 C CE . LYS 296 296 ? A -23.212 4.923 24.946 1.000 1 A 87.846 1 ATOM 2396 N NZ . LYS 296 296 ? A -22.470 5.187 26.215 1.000 1 A 87.846 1 ATOM 2397 N N . PRO 297 297 ? A -27.068 8.524 20.252 1.000 1 A 82.626 1 ATOM 2398 C CA . PRO 297 297 ? A -27.597 9.816 19.808 1.000 1 A 82.626 1 ATOM 2399 C C . PRO 297 297 ? A -27.108 10.980 20.666 1.000 1 A 82.626 1 ATOM 2400 O O . PRO 297 297 ? A -26.845 10.805 21.859 1.000 1 A 82.626 1 ATOM 2401 C CB . PRO 297 297 ? A -29.112 9.641 19.937 1.000 1 A 82.626 1 ATOM 2402 C CG . PRO 297 297 ? A -29.285 8.397 20.747 1.000 1 A 82.626 1 ATOM 2403 C CD . PRO 297 297 ? A -27.966 7.682 20.812 1.000 1 A 82.626 1 ATOM 2404 N N . ALA 298 298 ? A -26.563 12.079 20.010 1.000 1 A 73.710 1 ATOM 2405 C CA . ALA 298 298 ? A -26.185 13.293 20.728 1.000 1 A 73.710 1 ATOM 2406 C C . ALA 298 298 ? A -27.278 13.716 21.705 1.000 1 A 73.710 1 ATOM 2407 O O . ALA 298 298 ? A -28.468 13.597 21.404 1.000 1 A 73.710 1 ATOM 2408 C CB . ALA 298 298 ? A -25.889 14.423 19.744 1.000 1 A 73.710 1 ATOM 2409 N N . SER 299 299 ? A -27.056 13.508 23.051 1.000 1 A 63.829 1 ATOM 2410 C CA . SER 299 299 ? A -27.968 13.989 24.084 1.000 1 A 63.829 1 ATOM 2411 C C . SER 299 299 ? A -28.482 15.388 23.760 1.000 1 A 63.829 1 ATOM 2412 O O . SER 299 299 ? A -27.726 16.239 23.289 1.000 1 A 63.829 1 ATOM 2413 C CB . SER 299 299 ? A -27.278 13.994 25.448 1.000 1 A 63.829 1 ATOM 2414 O OG . SER 299 299 ? A -25.879 14.163 25.304 1.000 1 A 63.829 1 ATOM 2415 N N . GLN 300 300 ? A -29.498 15.596 23.004 1.000 1 A 52.902 1 ATOM 2416 C CA . GLN 300 300 ? A -30.154 16.898 22.945 1.000 1 A 52.902 1 ATOM 2417 C C . GLN 300 300 ? A -29.880 17.709 24.208 1.000 1 A 52.902 1 ATOM 2418 O O . GLN 300 300 ? A -29.898 17.169 25.316 1.000 1 A 52.902 1 ATOM 2419 C CB . GLN 300 300 ? A -31.661 16.732 22.744 1.000 1 A 52.902 1 ATOM 2420 C CG . GLN 300 300 ? A -32.089 16.719 21.283 1.000 1 A 52.902 1 ATOM 2421 C CD . GLN 300 300 ? A -33.589 16.574 21.112 1.000 1 A 52.902 1 ATOM 2422 O OE1 . GLN 300 300 ? A -34.284 16.078 22.005 1.000 1 A 52.902 1 ATOM 2423 N NE2 . GLN 300 300 ? A -34.100 17.005 19.963 1.000 1 A 52.902 1 ATOM 2424 N N . PRO 301 301 ? A -28.973 18.782 24.155 1.000 1 A 51.731 1 ATOM 2425 C CA . PRO 301 301 ? A -28.952 19.652 25.334 1.000 1 A 51.731 1 ATOM 2426 C C . PRO 301 301 ? A -30.288 19.677 26.072 1.000 1 A 51.731 1 ATOM 2427 O O . PRO 301 301 ? A -31.347 19.664 25.440 1.000 1 A 51.731 1 ATOM 2428 C CB . PRO 301 301 ? A -28.624 21.028 24.750 1.000 1 A 51.731 1 ATOM 2429 C CG . PRO 301 301 ? A -28.701 20.844 23.269 1.000 1 A 51.731 1 ATOM 2430 C CD . PRO 301 301 ? A -28.963 19.393 22.982 1.000 1 A 51.731 1 ATOM 2431 N N . THR 302 302 ? A -30.584 18.680 26.913 1.000 1 A 49.032 1 ATOM 2432 C CA . THR 302 302 ? A -31.696 18.925 27.826 1.000 1 A 49.032 1 ATOM 2433 C C . THR 302 302 ? A -31.969 20.420 27.957 1.000 1 A 49.032 1 ATOM 2434 O O . THR 302 302 ? A -31.048 21.207 28.186 1.000 1 A 49.032 1 ATOM 2435 C CB . THR 302 302 ? A -31.418 18.327 29.217 1.000 1 A 49.032 1 ATOM 2436 O OG1 . THR 302 302 ? A -30.052 17.898 29.282 1.000 1 A 49.032 1 ATOM 2437 C CG2 . THR 302 302 ? A -32.327 17.135 29.496 1.000 1 A 49.032 1 ATOM 2438 N N . ILE 303 303 ? A -32.217 21.203 26.852 1.000 1 A 53.871 1 ATOM 2439 C CA . ILE 303 303 ? A -32.826 22.427 27.361 1.000 1 A 53.871 1 ATOM 2440 C C . ILE 303 303 ? A -33.451 22.162 28.729 1.000 1 A 53.871 1 ATOM 2441 O O . ILE 303 303 ? A -34.223 21.215 28.892 1.000 1 A 53.871 1 ATOM 2442 C CB . ILE 303 303 ? A -33.888 22.978 26.383 1.000 1 A 53.871 1 ATOM 2443 C CG1 . ILE 303 303 ? A -33.279 23.182 24.992 1.000 1 A 53.871 1 ATOM 2444 C CG2 . ILE 303 303 ? A -34.486 24.283 26.916 1.000 1 A 53.871 1 ATOM 2445 C CD1 . ILE 303 303 ? A -34.294 23.554 23.920 1.000 1 A 53.871 1 ATOM 2446 N N . PRO 304 304 ? A -32.734 22.334 29.932 1.000 1 A 48.162 1 ATOM 2447 C CA . PRO 304 304 ? A -33.426 22.069 31.196 1.000 1 A 48.162 1 ATOM 2448 C C . PRO 304 304 ? A -34.905 22.448 31.149 1.000 1 A 48.162 1 ATOM 2449 O O . PRO 304 304 ? A -35.240 23.617 30.941 1.000 1 A 48.162 1 ATOM 2450 C CB . PRO 304 304 ? A -32.671 22.940 32.202 1.000 1 A 48.162 1 ATOM 2451 C CG . PRO 304 304 ? A -32.051 24.024 31.379 1.000 1 A 48.162 1 ATOM 2452 C CD . PRO 304 304 ? A -32.397 23.785 29.938 1.000 1 A 48.162 1 ATOM 2453 N N . ILE 305 305 ? A -35.762 21.927 30.297 1.000 1 A 53.711 1 ATOM 2454 C CA . ILE 305 305 ? A -37.187 22.129 30.532 1.000 1 A 53.711 1 ATOM 2455 C C . ILE 305 305 ? A -37.473 22.096 32.032 1.000 1 A 53.711 1 ATOM 2456 O O . ILE 305 305 ? A -38.326 22.838 32.524 1.000 1 A 53.711 1 ATOM 2457 C CB . ILE 305 305 ? A -38.037 21.065 29.802 1.000 1 A 53.711 1 ATOM 2458 C CG1 . ILE 305 305 ? A -37.826 21.161 28.286 1.000 1 A 53.711 1 ATOM 2459 C CG2 . ILE 305 305 ? A -39.518 21.218 30.159 1.000 1 A 53.711 1 ATOM 2460 C CD1 . ILE 305 305 ? A -38.488 20.040 27.496 1.000 1 A 53.711 1 ATOM 2461 N N . VAL 306 306 ? A -36.489 21.568 32.872 1.000 1 A 51.557 1 ATOM 2462 C CA . VAL 306 306 ? A -36.818 21.578 34.293 1.000 1 A 51.557 1 ATOM 2463 C C . VAL 306 306 ? A -36.513 22.952 34.886 1.000 1 A 51.557 1 ATOM 2464 O O . VAL 306 306 ? A -37.256 23.447 35.736 1.000 1 A 51.557 1 ATOM 2465 C CB . VAL 306 306 ? A -36.047 20.482 35.062 1.000 1 A 51.557 1 ATOM 2466 C CG1 . VAL 306 306 ? A -36.426 20.492 36.542 1.000 1 A 51.557 1 ATOM 2467 C CG2 . VAL 306 306 ? A -36.316 19.110 34.448 1.000 1 A 51.557 1 ATOM 2468 N N . GLY 307 307 ? A -35.515 23.752 34.214 1.000 1 A 50.900 1 ATOM 2469 C CA . GLY 307 307 ? A -35.289 25.101 34.706 1.000 1 A 50.900 1 ATOM 2470 C C . GLY 307 307 ? A -36.315 26.099 34.204 1.000 1 A 50.900 1 ATOM 2471 O O . GLY 307 307 ? A -36.704 27.016 34.931 1.000 1 A 50.900 1 ATOM 2472 N N . ILE 308 308 ? A -36.963 25.818 32.988 1.000 1 A 57.374 1 ATOM 2473 C CA . ILE 308 308 ? A -38.025 26.688 32.494 1.000 1 A 57.374 1 ATOM 2474 C C . ILE 308 308 ? A -39.331 26.373 33.221 1.000 1 A 57.374 1 ATOM 2475 O O . ILE 308 308 ? A -40.062 27.283 33.618 1.000 1 A 57.374 1 ATOM 2476 C CB . ILE 308 308 ? A -38.212 26.540 30.967 1.000 1 A 57.374 1 ATOM 2477 C CG1 . ILE 308 308 ? A -36.960 27.024 30.227 1.000 1 A 57.374 1 ATOM 2478 C CG2 . ILE 308 308 ? A -39.455 27.304 30.499 1.000 1 A 57.374 1 ATOM 2479 C CD1 . ILE 308 308 ? A -37.006 26.798 28.722 1.000 1 A 57.374 1 ATOM 2480 N N . ILE 309 309 ? A -39.576 24.981 33.560 1.000 1 A 58.253 1 ATOM 2481 C CA . ILE 309 309 ? A -40.782 24.666 34.318 1.000 1 A 58.253 1 ATOM 2482 C C . ILE 309 309 ? A -40.611 25.110 35.769 1.000 1 A 58.253 1 ATOM 2483 O O . ILE 309 309 ? A -41.533 25.672 36.365 1.000 1 A 58.253 1 ATOM 2484 C CB . ILE 309 309 ? A -41.110 23.157 34.255 1.000 1 A 58.253 1 ATOM 2485 C CG1 . ILE 309 309 ? A -41.449 22.744 32.818 1.000 1 A 58.253 1 ATOM 2486 C CG2 . ILE 309 309 ? A -42.258 22.814 35.209 1.000 1 A 58.253 1 ATOM 2487 C CD1 . ILE 309 309 ? A -41.701 21.252 32.646 1.000 1 A 58.253 1 ATOM 2488 N N . ALA 310 310 ? A -39.336 24.935 36.364 1.000 1 A 57.807 1 ATOM 2489 C CA . ALA 310 310 ? A -39.084 25.437 37.712 1.000 1 A 57.807 1 ATOM 2490 C C . ALA 310 310 ? A -39.051 26.963 37.733 1.000 1 A 57.807 1 ATOM 2491 O O . ALA 310 310 ? A -39.549 27.588 38.672 1.000 1 A 57.807 1 ATOM 2492 C CB . ALA 310 310 ? A -37.772 24.873 38.254 1.000 1 A 57.807 1 ATOM 2493 N N . GLY 311 311 ? A -38.531 27.578 36.604 1.000 1 A 56.227 1 ATOM 2494 C CA . GLY 311 311 ? A -38.551 29.029 36.500 1.000 1 A 56.227 1 ATOM 2495 C C . GLY 311 311 ? A -39.936 29.589 36.233 1.000 1 A 56.227 1 ATOM 2496 O O . GLY 311 311 ? A -40.313 30.618 36.796 1.000 1 A 56.227 1 ATOM 2497 N N . LEU 312 312 ? A -40.799 28.779 35.433 1.000 1 A 64.232 1 ATOM 2498 C CA . LEU 312 312 ? A -42.167 29.214 35.174 1.000 1 A 64.232 1 ATOM 2499 C C . LEU 312 312 ? A -43.067 28.917 36.368 1.000 1 A 64.232 1 ATOM 2500 O O . LEU 312 312 ? A -43.961 29.704 36.688 1.000 1 A 64.232 1 ATOM 2501 C CB . LEU 312 312 ? A -42.719 28.529 33.921 1.000 1 A 64.232 1 ATOM 2502 C CG . LEU 312 312 ? A -42.234 29.078 32.578 1.000 1 A 64.232 1 ATOM 2503 C CD1 . LEU 312 312 ? A -42.552 28.094 31.457 1.000 1 A 64.232 1 ATOM 2504 C CD2 . LEU 312 312 ? A -42.864 30.438 32.298 1.000 1 A 64.232 1 ATOM 2505 N N . VAL 313 313 ? A -42.776 27.773 37.088 1.000 1 A 64.791 1 ATOM 2506 C CA . VAL 313 313 ? A -43.534 27.489 38.302 1.000 1 A 64.791 1 ATOM 2507 C C . VAL 313 313 ? A -43.129 28.464 39.405 1.000 1 A 64.791 1 ATOM 2508 O O . VAL 313 313 ? A -43.981 28.966 40.142 1.000 1 A 64.791 1 ATOM 2509 C CB . VAL 313 313 ? A -43.323 26.033 38.775 1.000 1 A 64.791 1 ATOM 2510 C CG1 . VAL 313 313 ? A -43.983 25.805 40.134 1.000 1 A 64.791 1 ATOM 2511 C CG2 . VAL 313 313 ? A -43.870 25.051 37.740 1.000 1 A 64.791 1 ATOM 2512 N N . LEU 314 314 ? A -41.811 28.850 39.377 1.000 1 A 58.470 1 ATOM 2513 C CA . LEU 314 314 ? A -41.368 29.839 40.354 1.000 1 A 58.470 1 ATOM 2514 C C . LEU 314 314 ? A -41.805 31.241 39.944 1.000 1 A 58.470 1 ATOM 2515 O O . LEU 314 314 ? A -42.210 32.041 40.791 1.000 1 A 58.470 1 ATOM 2516 C CB . LEU 314 314 ? A -39.845 29.792 40.511 1.000 1 A 58.470 1 ATOM 2517 C CG . LEU 314 314 ? A -39.287 28.650 41.362 1.000 1 A 58.470 1 ATOM 2518 C CD1 . LEU 314 314 ? A -37.800 28.458 41.081 1.000 1 A 58.470 1 ATOM 2519 C CD2 . LEU 314 314 ? A -39.525 28.922 42.844 1.000 1 A 58.470 1 ATOM 2520 N N . LEU 315 315 ? A -41.900 31.456 38.595 1.000 1 A 57.952 1 ATOM 2521 C CA . LEU 315 315 ? A -42.410 32.743 38.135 1.000 1 A 57.952 1 ATOM 2522 C C . LEU 315 315 ? A -43.934 32.771 38.178 1.000 1 A 57.952 1 ATOM 2523 O O . LEU 315 315 ? A -44.532 33.804 38.485 1.000 1 A 57.952 1 ATOM 2524 C CB . LEU 315 315 ? A -41.922 33.037 36.714 1.000 1 A 57.952 1 ATOM 2525 C CG . LEU 315 315 ? A -40.501 33.590 36.586 1.000 1 A 57.952 1 ATOM 2526 C CD1 . LEU 315 315 ? A -39.953 33.324 35.188 1.000 1 A 57.952 1 ATOM 2527 C CD2 . LEU 315 315 ? A -40.478 35.082 36.900 1.000 1 A 57.952 1 ATOM 2528 N N . GLY 316 316 ? A -44.553 31.525 37.904 1.000 1 A 55.155 1 ATOM 2529 C CA . GLY 316 316 ? A -45.999 31.486 38.057 1.000 1 A 55.155 1 ATOM 2530 C C . GLY 316 316 ? A -46.447 31.537 39.505 1.000 1 A 55.155 1 ATOM 2531 O O . GLY 316 316 ? A -47.486 32.122 39.818 1.000 1 A 55.155 1 ATOM 2532 N N . SER 317 317 ? A -45.594 31.052 40.482 1.000 1 A 55.485 1 ATOM 2533 C CA . SER 317 317 ? A -45.942 31.179 41.893 1.000 1 A 55.485 1 ATOM 2534 C C . SER 317 317 ? A -45.540 32.544 42.441 1.000 1 A 55.485 1 ATOM 2535 O O . SER 317 317 ? A -46.218 33.094 43.311 1.000 1 A 55.485 1 ATOM 2536 C CB . SER 317 317 ? A -45.274 30.074 42.712 1.000 1 A 55.485 1 ATOM 2537 O OG . SER 317 317 ? A -43.863 30.193 42.660 1.000 1 A 55.485 1 ATOM 2538 N N . VAL 318 318 ? A -44.505 33.196 41.840 1.000 1 A 55.845 1 ATOM 2539 C CA . VAL 318 318 ? A -44.120 34.536 42.271 1.000 1 A 55.845 1 ATOM 2540 C C . VAL 318 318 ? A -45.064 35.567 41.656 1.000 1 A 55.845 1 ATOM 2541 O O . VAL 318 318 ? A -45.446 36.538 42.314 1.000 1 A 55.845 1 ATOM 2542 C CB . VAL 318 318 ? A -42.658 34.858 41.889 1.000 1 A 55.845 1 ATOM 2543 C CG1 . VAL 318 318 ? A -42.304 36.294 42.270 1.000 1 A 55.845 1 ATOM 2544 C CG2 . VAL 318 318 ? A -41.703 33.872 42.559 1.000 1 A 55.845 1 ATOM 2545 N N . VAL 319 319 ? A -45.680 35.191 40.440 1.000 1 A 52.954 1 ATOM 2546 C CA . VAL 319 319 ? A -46.614 36.142 39.846 1.000 1 A 52.954 1 ATOM 2547 C C . VAL 319 319 ? A -47.991 35.982 40.485 1.000 1 A 52.954 1 ATOM 2548 O O . VAL 319 319 ? A -48.692 36.969 40.721 1.000 1 A 52.954 1 ATOM 2549 C CB . VAL 319 319 ? A -46.712 35.961 38.315 1.000 1 A 52.954 1 ATOM 2550 C CG1 . VAL 319 319 ? A -47.739 36.924 37.722 1.000 1 A 52.954 1 ATOM 2551 C CG2 . VAL 319 319 ? A -45.345 36.165 37.665 1.000 1 A 52.954 1 ATOM 2552 N N . SER 320 320 ? A -48.261 34.777 41.091 1.000 1 A 50.939 1 ATOM 2553 C CA . SER 320 320 ? A -49.512 34.730 41.839 1.000 1 A 50.939 1 ATOM 2554 C C . SER 320 320 ? A -49.312 35.184 43.281 1.000 1 A 50.939 1 ATOM 2555 O O . SER 320 320 ? A -50.167 35.869 43.846 1.000 1 A 50.939 1 ATOM 2556 C CB . SER 320 320 ? A -50.098 33.317 41.817 1.000 1 A 50.939 1 ATOM 2557 O OG . SER 320 320 ? A -49.078 32.354 41.615 1.000 1 A 50.939 1 ATOM 2558 N N . GLY 321 321 ? A -48.024 35.083 43.768 1.000 1 A 49.772 1 ATOM 2559 C CA . GLY 321 321 ? A -47.772 35.591 45.107 1.000 1 A 49.772 1 ATOM 2560 C C . GLY 321 321 ? A -47.342 37.046 45.123 1.000 1 A 49.772 1 ATOM 2561 O O . GLY 321 321 ? A -47.704 37.795 46.032 1.000 1 A 49.772 1 ATOM 2562 N N . ALA 322 322 ? A -46.722 37.588 44.042 1.000 1 A 49.301 1 ATOM 2563 C CA . ALA 322 322 ? A -46.250 38.963 43.904 1.000 1 A 49.301 1 ATOM 2564 C C . ALA 322 322 ? A -47.344 39.864 43.338 1.000 1 A 49.301 1 ATOM 2565 O O . ALA 322 322 ? A -47.453 41.033 43.717 1.000 1 A 49.301 1 ATOM 2566 C CB . ALA 322 322 ? A -45.011 39.013 43.013 1.000 1 A 49.301 1 ATOM 2567 N N . VAL 323 323 ? A -48.358 39.230 42.603 1.000 1 A 51.430 1 ATOM 2568 C CA . VAL 323 323 ? A -49.491 40.052 42.190 1.000 1 A 51.430 1 ATOM 2569 C C . VAL 323 323 ? A -50.454 40.231 43.361 1.000 1 A 51.430 1 ATOM 2570 O O . VAL 323 323 ? A -50.991 41.321 43.570 1.000 1 A 51.430 1 ATOM 2571 C CB . VAL 323 323 ? A -50.229 39.435 40.981 1.000 1 A 51.430 1 ATOM 2572 C CG1 . VAL 323 323 ? A -51.417 40.305 40.573 1.000 1 A 51.430 1 ATOM 2573 C CG2 . VAL 323 323 ? A -49.270 39.251 39.807 1.000 1 A 51.430 1 ATOM 2574 N N . VAL 324 324 ? A -50.354 39.294 44.330 1.000 1 A 51.540 1 ATOM 2575 C CA . VAL 324 324 ? A -51.179 39.508 45.514 1.000 1 A 51.540 1 ATOM 2576 C C . VAL 324 324 ? A -50.420 40.366 46.524 1.000 1 A 51.540 1 ATOM 2577 O O . VAL 324 324 ? A -50.996 41.266 47.140 1.000 1 A 51.540 1 ATOM 2578 C CB . VAL 324 324 ? A -51.602 38.170 46.161 1.000 1 A 51.540 1 ATOM 2579 C CG1 . VAL 324 324 ? A -52.372 38.417 47.457 1.000 1 A 51.540 1 ATOM 2580 C CG2 . VAL 324 324 ? A -52.441 37.348 45.185 1.000 1 A 51.540 1 ATOM 2581 N N . ALA 325 325 ? A -49.046 40.337 46.454 1.000 1 A 50.033 1 ATOM 2582 C CA . ALA 325 325 ? A -48.288 41.148 47.403 1.000 1 A 50.033 1 ATOM 2583 C C . ALA 325 325 ? A -47.949 42.513 46.809 1.000 1 A 50.033 1 ATOM 2584 O O . ALA 325 325 ? A -47.957 43.523 47.516 1.000 1 A 50.033 1 ATOM 2585 C CB . ALA 325 325 ? A -47.013 40.423 47.825 1.000 1 A 50.033 1 ATOM 2586 N N . ALA 326 326 ? A -47.881 42.676 45.393 1.000 1 A 49.435 1 ATOM 2587 C CA . ALA 326 326 ? A -47.612 43.911 44.660 1.000 1 A 49.435 1 ATOM 2588 C C . ALA 326 326 ? A -48.885 44.733 44.484 1.000 1 A 49.435 1 ATOM 2589 O O . ALA 326 326 ? A -48.845 45.965 44.510 1.000 1 A 49.435 1 ATOM 2590 C CB . ALA 326 326 ? A -46.992 43.598 43.301 1.000 1 A 49.435 1 ATOM 2591 N N . VAL 327 327 ? A -50.076 44.040 44.648 1.000 1 A 51.302 1 ATOM 2592 C CA . VAL 327 327 ? A -51.304 44.829 44.654 1.000 1 A 51.302 1 ATOM 2593 C C . VAL 327 327 ? A -51.591 45.326 46.069 1.000 1 A 51.302 1 ATOM 2594 O O . VAL 327 327 ? A -52.038 46.460 46.256 1.000 1 A 51.302 1 ATOM 2595 C CB . VAL 327 327 ? A -52.504 44.016 44.121 1.000 1 A 51.302 1 ATOM 2596 C CG1 . VAL 327 327 ? A -53.801 44.810 44.265 1.000 1 A 51.302 1 ATOM 2597 C CG2 . VAL 327 327 ? A -52.275 43.621 42.663 1.000 1 A 51.302 1 ATOM 2598 N N . ILE 328 328 ? A -50.817 44.748 47.074 1.000 1 A 49.706 1 ATOM 2599 C CA . ILE 328 328 ? A -51.025 45.248 48.428 1.000 1 A 49.706 1 ATOM 2600 C C . ILE 328 328 ? A -49.897 46.207 48.803 1.000 1 A 49.706 1 ATOM 2601 O O . ILE 328 328 ? A -50.129 47.215 49.476 1.000 1 A 49.706 1 ATOM 2602 C CB . ILE 328 328 ? A -51.106 44.092 49.451 1.000 1 A 49.706 1 ATOM 2603 C CG1 . ILE 328 328 ? A -52.359 43.245 49.200 1.000 1 A 49.706 1 ATOM 2604 C CG2 . ILE 328 328 ? A -51.091 44.636 50.882 1.000 1 A 49.706 1 ATOM 2605 C CD1 . ILE 328 328 ? A -52.459 42.010 50.085 1.000 1 A 49.706 1 ATOM 2606 N N . TRP 329 329 ? A -48.823 46.309 47.988 1.000 1 A 42.541 1 ATOM 2607 C CA . TRP 329 329 ? A -47.690 47.109 48.443 1.000 1 A 42.541 1 ATOM 2608 C C . TRP 329 329 ? A -47.482 48.320 47.541 1.000 1 A 42.541 1 ATOM 2609 O O . TRP 329 329 ? A -46.889 49.318 47.958 1.000 1 A 42.541 1 ATOM 2610 C CB . TRP 329 329 ? A -46.415 46.262 48.484 1.000 1 A 42.541 1 ATOM 2611 C CG . TRP 329 329 ? A -45.506 46.586 49.631 1.000 1 A 42.541 1 ATOM 2612 C CD1 . TRP 329 329 ? A -45.848 46.690 50.951 1.000 1 A 42.541 1 ATOM 2613 C CD2 . TRP 329 329 ? A -44.102 46.854 49.558 1.000 1 A 42.541 1 ATOM 2614 N NE1 . TRP 329 329 ? A -44.740 47.006 51.703 1.000 1 A 42.541 1 ATOM 2615 C CE2 . TRP 329 329 ? A -43.657 47.112 50.873 1.000 1 A 42.541 1 ATOM 2616 C CE3 . TRP 329 329 ? A -43.176 46.901 48.507 1.000 1 A 42.541 1 ATOM 2617 C CZ2 . TRP 329 329 ? A -42.324 47.413 51.165 1.000 1 A 42.541 1 ATOM 2618 C CZ3 . TRP 329 329 ? A -41.851 47.200 48.800 1.000 1 A 42.541 1 ATOM 2619 C CH2 . TRP 329 329 ? A -41.439 47.452 50.119 1.000 1 A 42.541 1 ATOM 2620 N N . ARG 330 330 ? A -48.163 48.387 46.336 1.000 1 A 39.407 1 ATOM 2621 C CA . ARG 330 330 ? A -48.001 49.557 45.478 1.000 1 A 39.407 1 ATOM 2622 C C . ARG 330 330 ? A -48.968 50.667 45.877 1.000 1 A 39.407 1 ATOM 2623 O O . ARG 330 330 ? A -48.775 51.827 45.510 1.000 1 A 39.407 1 ATOM 2624 C CB . ARG 330 330 ? A -48.210 49.181 44.010 1.000 1 A 39.407 1 ATOM 2625 C CG . ARG 330 330 ? A -47.061 49.585 43.100 1.000 1 A 39.407 1 ATOM 2626 C CD . ARG 330 330 ? A -47.330 49.208 41.650 1.000 1 A 39.407 1 ATOM 2627 N NE . ARG 330 330 ? A -46.186 49.509 40.794 1.000 1 A 39.407 1 ATOM 2628 C CZ . ARG 330 330 ? A -46.138 49.278 39.485 1.000 1 A 39.407 1 ATOM 2629 N NH1 . ARG 330 330 ? A -47.173 48.738 38.853 1.000 1 A 39.407 1 ATOM 2630 N NH2 . ARG 330 330 ? A -45.046 49.591 38.802 1.000 1 A 39.407 1 ATOM 2631 N N . LYS 331 331 ? A -49.681 50.444 46.997 1.000 1 A 41.840 1 ATOM 2632 C CA . LYS 331 331 ? A -50.357 51.553 47.665 1.000 1 A 41.840 1 ATOM 2633 C C . LYS 331 331 ? A -49.537 52.064 48.846 1.000 1 A 41.840 1 ATOM 2634 O O . LYS 331 331 ? A -49.541 53.262 49.139 1.000 1 A 41.840 1 ATOM 2635 C CB . LYS 331 331 ? A -51.748 51.128 48.138 1.000 1 A 41.840 1 ATOM 2636 C CG . LYS 331 331 ? A -52.651 52.289 48.525 1.000 1 A 41.840 1 ATOM 2637 C CD . LYS 331 331 ? A -54.093 51.836 48.718 1.000 1 A 41.840 1 ATOM 2638 C CE . LYS 331 331 ? A -54.976 52.974 49.212 1.000 1 A 41.840 1 ATOM 2639 N NZ . LYS 331 331 ? A -56.401 52.547 49.353 1.000 1 A 41.840 1 ATOM 2640 N N . LYS 332 332 ? A -48.191 51.869 48.878 1.000 1 A 40.728 1 ATOM 2641 C CA . LYS 332 332 ? A -47.596 52.620 49.980 1.000 1 A 40.728 1 ATOM 2642 C C . LYS 332 332 ? A -46.080 52.709 49.828 1.000 1 A 40.728 1 ATOM 2643 O O . LYS 332 332 ? A -45.410 51.694 49.627 1.000 1 A 40.728 1 ATOM 2644 C CB . LYS 332 332 ? A -47.952 51.977 51.321 1.000 1 A 40.728 1 ATOM 2645 C CG . LYS 332 332 ? A -48.502 52.954 52.349 1.000 1 A 40.728 1 ATOM 2646 C CD . LYS 332 332 ? A -49.098 52.227 53.548 1.000 1 A 40.728 1 ATOM 2647 C CE . LYS 332 332 ? A -49.716 53.201 54.543 1.000 1 A 40.728 1 ATOM 2648 N NZ . LYS 332 332 ? A -50.273 52.495 55.735 1.000 1 A 40.728 1 ATOM 2649 N N . SER 333 333 ? A -45.474 53.299 48.753 1.000 1 A 34.530 1 ATOM 2650 C CA . SER 333 333 ? A -44.264 54.061 49.041 1.000 1 A 34.530 1 ATOM 2651 C C . SER 333 333 ? A -43.461 54.324 47.771 1.000 1 A 34.530 1 ATOM 2652 O O . SER 333 333 ? A -43.064 53.387 47.076 1.000 1 A 34.530 1 ATOM 2653 C CB . SER 333 333 ? A -43.394 53.323 50.059 1.000 1 A 34.530 1 ATOM 2654 O OG . SER 333 333 ? A -43.150 51.991 49.641 1.000 1 A 34.530 1 ATOM 2655 N N . SER 334 334 ? A -43.783 55.193 46.957 1.000 1 A 37.859 1 ATOM 2656 C CA . SER 334 334 ? A -43.169 56.437 46.504 1.000 1 A 37.859 1 ATOM 2657 C C . SER 334 334 ? A -41.887 56.734 47.275 1.000 1 A 37.859 1 ATOM 2658 O O . SER 334 334 ? A -41.870 56.680 48.506 1.000 1 A 37.859 1 ATOM 2659 C CB . SER 334 334 ? A -44.147 57.604 46.655 1.000 1 A 37.859 1 ATOM 2660 O OG . SER 334 334 ? A -44.308 57.951 48.020 1.000 1 A 37.859 1 ATOM 2661 N N . GLY 335 335 ? A -40.672 56.322 46.848 1.000 1 A 33.238 1 ATOM 2662 C CA . GLY 335 335 ? A -39.474 57.124 47.038 1.000 1 A 33.238 1 ATOM 2663 C C . GLY 335 335 ? A -38.194 56.315 46.949 1.000 1 A 33.238 1 ATOM 2664 O O . GLY 335 335 ? A -38.075 55.261 47.577 1.000 1 A 33.238 1 ATOM 2665 N N . GLY 336 336 ? A -37.354 56.388 45.840 1.000 1 A 33.105 1 ATOM 2666 C CA . GLY 336 336 ? A -35.990 56.888 45.767 1.000 1 A 33.105 1 ATOM 2667 C C . GLY 336 336 ? A -34.989 55.832 45.341 1.000 1 A 33.105 1 ATOM 2668 O O . GLY 336 336 ? A -35.067 54.682 45.777 1.000 1 A 33.105 1 ATOM 2669 N N . LYS 337 337 ? A -34.177 56.019 44.202 1.000 1 A 30.625 1 ATOM 2670 C CA . LYS 337 337 ? A -32.833 56.368 43.751 1.000 1 A 30.625 1 ATOM 2671 C C . LYS 337 337 ? A -31.890 55.172 43.855 1.000 1 A 30.625 1 ATOM 2672 O O . LYS 337 337 ? A -31.821 54.519 44.898 1.000 1 A 30.625 1 ATOM 2673 C CB . LYS 337 337 ? A -32.282 57.542 44.562 1.000 1 A 30.625 1 ATOM 2674 C CG . LYS 337 337 ? A -31.763 58.692 43.711 1.000 1 A 30.625 1 ATOM 2675 C CD . LYS 337 337 ? A -31.405 59.901 44.565 1.000 1 A 30.625 1 ATOM 2676 C CE . LYS 337 337 ? A -30.967 61.082 43.709 1.000 1 A 30.625 1 ATOM 2677 N NZ . LYS 337 337 ? A -30.713 62.300 44.534 1.000 1 A 30.625 1 ATOM 2678 N N . GLY 338 338 ? A -31.220 54.682 42.697 1.000 1 A 27.596 1 ATOM 2679 C CA . GLY 338 338 ? A -29.803 54.564 42.396 1.000 1 A 27.596 1 ATOM 2680 C C . GLY 338 338 ? A -29.452 53.281 41.667 1.000 1 A 27.596 1 ATOM 2681 O O . GLY 338 338 ? A -29.885 52.197 42.064 1.000 1 A 27.596 1 ATOM 2682 N N . GLY 339 339 ? A -28.987 53.305 40.382 1.000 1 A 31.845 1 ATOM 2683 C CA . GLY 339 339 ? A -27.651 52.987 39.904 1.000 1 A 31.845 1 ATOM 2684 C C . GLY 339 339 ? A -27.651 52.256 38.574 1.000 1 A 31.845 1 ATOM 2685 O O . GLY 339 339 ? A -28.468 51.359 38.353 1.000 1 A 31.845 1 ATOM 2686 N N . SER 340 340 ? A -27.201 52.874 37.478 1.000 1 A 27.714 1 ATOM 2687 C CA . SER 340 340 ? A -26.094 52.978 36.533 1.000 1 A 27.714 1 ATOM 2688 C C . SER 340 340 ? A -25.681 51.606 36.012 1.000 1 A 27.714 1 ATOM 2689 O O . SER 340 340 ? A -25.583 50.648 36.781 1.000 1 A 27.714 1 ATOM 2690 C CB . SER 340 340 ? A -24.895 53.667 37.186 1.000 1 A 27.714 1 ATOM 2691 O OG . SER 340 340 ? A -23.680 53.204 36.621 1.000 1 A 27.714 1 ATOM 2692 N N . TYR 341 341 ? A -25.719 51.477 34.680 1.000 1 A 28.708 1 ATOM 2693 C CA . TYR 341 341 ? A -24.754 51.227 33.614 1.000 1 A 28.708 1 ATOM 2694 C C . TYR 341 341 ? A -25.448 50.709 32.361 1.000 1 A 28.708 1 ATOM 2695 O O . TYR 341 341 ? A -26.270 49.792 32.432 1.000 1 A 28.708 1 ATOM 2696 C CB . TYR 341 341 ? A -23.692 50.224 34.075 1.000 1 A 28.708 1 ATOM 2697 C CG . TYR 341 341 ? A -22.340 50.437 33.439 1.000 1 A 28.708 1 ATOM 2698 C CD1 . TYR 341 341 ? A -21.923 49.652 32.366 1.000 1 A 28.708 1 ATOM 2699 C CD2 . TYR 341 341 ? A -21.477 51.420 33.909 1.000 1 A 28.708 1 ATOM 2700 C CE1 . TYR 341 341 ? A -20.677 49.843 31.777 1.000 1 A 28.708 1 ATOM 2701 C CE2 . TYR 341 341 ? A -20.229 51.620 33.328 1.000 1 A 28.708 1 ATOM 2702 C CZ . TYR 341 341 ? A -19.839 50.828 32.264 1.000 1 A 28.708 1 ATOM 2703 O OH . TYR 341 341 ? A -18.604 51.021 31.686 1.000 1 A 28.708 1 ATOM 2704 N N . SER 342 342 ? A -25.555 51.455 31.239 1.000 1 A 30.183 1 ATOM 2705 C CA . SER 342 342 ? A -25.481 51.538 29.784 1.000 1 A 30.183 1 ATOM 2706 C C . SER 342 342 ? A -24.044 51.391 29.295 1.000 1 A 30.183 1 ATOM 2707 O O . SER 342 342 ? A -23.121 51.959 29.883 1.000 1 A 30.183 1 ATOM 2708 C CB . SER 342 342 ? A -26.062 52.865 29.293 1.000 1 A 30.183 1 ATOM 2709 O OG . SER 342 342 ? A -26.501 53.656 30.383 1.000 1 A 30.183 1 ATOM 2710 N N . LYS 343 343 ? A -23.829 50.412 28.394 1.000 1 A 30.291 1 ATOM 2711 C CA . LYS 343 343 ? A -23.070 50.443 27.147 1.000 1 A 30.291 1 ATOM 2712 C C . LYS 343 343 ? A -22.800 49.032 26.633 1.000 1 A 30.291 1 ATOM 2713 O O . LYS 343 343 ? A -22.405 48.151 27.400 1.000 1 A 30.291 1 ATOM 2714 C CB . LYS 343 343 ? A -21.750 51.192 27.341 1.000 1 A 30.291 1 ATOM 2715 C CG . LYS 343 343 ? A -21.150 51.732 26.051 1.000 1 A 30.291 1 ATOM 2716 C CD . LYS 343 343 ? A -19.908 52.570 26.321 1.000 1 A 30.291 1 ATOM 2717 C CE . LYS 343 343 ? A -19.360 53.188 25.041 1.000 1 A 30.291 1 ATOM 2718 N NZ . LYS 343 343 ? A -18.177 54.059 25.308 1.000 1 A 30.291 1 ATOM 2719 N N . ALA 344 344 ? A -22.968 48.721 25.265 1.000 1 A 30.776 1 ATOM 2720 C CA . ALA 344 344 ? A -22.252 48.719 23.992 1.000 1 A 30.776 1 ATOM 2721 C C . ALA 344 344 ? A -22.773 47.617 23.073 1.000 1 A 30.776 1 ATOM 2722 O O . ALA 344 344 ? A -22.942 46.472 23.499 1.000 1 A 30.776 1 ATOM 2723 C CB . ALA 344 344 ? A -20.753 48.549 24.224 1.000 1 A 30.776 1 ATOM 2724 N N . GLU 345 345 ? A -23.315 47.899 21.952 1.000 1 A 30.068 1 ATOM 2725 C CA . GLU 345 345 ? A -23.088 48.056 20.518 1.000 1 A 30.068 1 ATOM 2726 C C . GLU 345 345 ? A -22.329 46.862 19.946 1.000 1 A 30.068 1 ATOM 2727 O O . GLU 345 345 ? A -21.222 46.552 20.391 1.000 1 A 30.068 1 ATOM 2728 C CB . GLU 345 345 ? A -22.322 49.351 20.234 1.000 1 A 30.068 1 ATOM 2729 C CG . GLU 345 345 ? A -23.006 50.261 19.225 1.000 1 A 30.068 1 ATOM 2730 C CD . GLU 345 345 ? A -22.200 51.508 18.898 1.000 1 A 30.068 1 ATOM 2731 O OE1 . GLU 345 345 ? A -22.624 52.291 18.018 1.000 1 A 30.068 1 ATOM 2732 O OE2 . GLU 345 345 ? A -21.135 51.702 19.526 1.000 1 A 30.068 1 ATOM 2733 N N . TRP 346 346 ? A -22.925 45.959 19.211 1.000 1 A 31.801 1 ATOM 2734 C CA . TRP 346 346 ? A -22.559 45.490 17.879 1.000 1 A 31.801 1 ATOM 2735 C C . TRP 346 346 ? A -23.772 45.473 16.955 1.000 1 A 31.801 1 ATOM 2736 O O . TRP 346 346 ? A -24.798 44.871 17.279 1.000 1 A 31.801 1 ATOM 2737 C CB . TRP 346 346 ? A -21.937 44.093 17.952 1.000 1 A 31.801 1 ATOM 2738 C CG . TRP 346 346 ? A -20.682 43.942 17.146 1.000 1 A 31.801 1 ATOM 2739 C CD1 . TRP 346 346 ? A -19.855 44.941 16.713 1.000 1 A 31.801 1 ATOM 2740 C CD2 . TRP 346 346 ? A -20.114 42.717 16.672 1.000 1 A 31.801 1 ATOM 2741 N NE1 . TRP 346 346 ? A -18.806 44.410 15.998 1.000 1 A 31.801 1 ATOM 2742 C CE2 . TRP 346 346 ? A -18.941 43.049 15.959 1.000 1 A 31.801 1 ATOM 2743 C CE3 . TRP 346 346 ? A -20.483 41.369 16.783 1.000 1 A 31.801 1 ATOM 2744 C CZ2 . TRP 346 346 ? A -18.133 42.080 15.358 1.000 1 A 31.801 1 ATOM 2745 C CZ3 . TRP 346 346 ? A -19.678 40.407 16.184 1.000 1 A 31.801 1 ATOM 2746 C CH2 . TRP 346 346 ? A -18.517 40.770 15.481 1.000 1 A 31.801 1 ATOM 2747 N N . SER 347 347 ? A -24.060 46.580 16.200 1.000 1 A 30.976 1 ATOM 2748 C CA . SER 347 347 ? A -24.260 47.186 14.888 1.000 1 A 30.976 1 ATOM 2749 C C . SER 347 347 ? A -23.812 46.248 13.772 1.000 1 A 30.976 1 ATOM 2750 O O . SER 347 347 ? A -22.793 45.565 13.900 1.000 1 A 30.976 1 ATOM 2751 C CB . SER 347 347 ? A -23.501 48.510 14.788 1.000 1 A 30.976 1 ATOM 2752 O OG . SER 347 347 ? A -22.101 48.291 14.816 1.000 1 A 30.976 1 ATOM 2753 N N . ASP 348 348 ? A -24.701 45.886 12.884 1.000 1 A 31.882 1 ATOM 2754 C CA . ASP 348 348 ? A -24.922 46.310 11.504 1.000 1 A 31.882 1 ATOM 2755 C C . ASP 348 348 ? A -25.005 45.108 10.567 1.000 1 A 31.882 1 ATOM 2756 O O . ASP 348 348 ? A -24.150 44.221 10.609 1.000 1 A 31.882 1 ATOM 2757 C CB . ASP 348 348 ? A -23.808 47.256 11.049 1.000 1 A 31.882 1 ATOM 2758 C CG . ASP 348 348 ? A -24.229 48.715 11.058 1.000 1 A 31.882 1 ATOM 2759 O OD1 . ASP 348 348 ? A -25.421 49.005 11.298 1.000 1 A 31.882 1 ATOM 2760 O OD2 . ASP 348 348 ? A -23.361 49.582 10.819 1.000 1 A 31.882 1 ATOM 2761 N N . SER 349 349 ? A -26.158 44.760 10.043 1.000 1 A 33.692 1 ATOM 2762 C CA . SER 349 349 ? A -26.766 45.064 8.752 1.000 1 A 33.692 1 ATOM 2763 C C . SER 349 349 ? A -26.265 44.116 7.667 1.000 1 A 33.692 1 ATOM 2764 O O . SER 349 349 ? A -25.057 43.927 7.510 1.000 1 A 33.692 1 ATOM 2765 C CB . SER 349 349 ? A -26.474 46.511 8.350 1.000 1 A 33.692 1 ATOM 2766 O OG . SER 349 349 ? A -26.264 47.318 9.495 1.000 1 A 33.692 1 ATOM 2767 N N . ALA 350 350 ? A -27.070 43.142 7.256 1.000 1 A 34.436 1 ATOM 2768 C CA . ALA 350 350 ? A -27.369 43.102 5.827 1.000 1 A 34.436 1 ATOM 2769 C C . ALA 350 350 ? A -28.502 42.124 5.530 1.000 1 A 34.436 1 ATOM 2770 O O . ALA 350 350 ? A -28.471 40.975 5.978 1.000 1 A 34.436 1 ATOM 2771 C CB . ALA 350 350 ? A -26.121 42.723 5.033 1.000 1 A 34.436 1 ATOM 2772 N N . GLN 351 351 ? A -29.762 42.457 5.650 1.000 1 A 31.996 1 ATOM 2773 C CA . GLN 351 351 ? A -30.771 42.750 4.639 1.000 1 A 31.996 1 ATOM 2774 C C . GLN 351 351 ? A -30.307 42.309 3.254 1.000 1 A 31.996 1 ATOM 2775 O O . GLN 351 351 ? A -29.205 42.654 2.824 1.000 1 A 31.996 1 ATOM 2776 C CB . GLN 351 351 ? A -31.105 44.243 4.629 1.000 1 A 31.996 1 ATOM 2777 C CG . GLN 351 351 ? A -32.568 44.548 4.925 1.000 1 A 31.996 1 ATOM 2778 C CD . GLN 351 351 ? A -32.834 46.031 5.105 1.000 1 A 31.996 1 ATOM 2779 O OE1 . GLN 351 351 ? A -31.943 46.791 5.497 1.000 1 A 31.996 1 ATOM 2780 N NE2 . GLN 351 351 ? A -34.061 46.452 4.821 1.000 1 A 31.996 1 ATOM 2781 N N . GLY 352 352 ? A -30.799 41.207 2.739 1.000 1 A 28.852 1 ATOM 2782 C CA . GLY 352 352 ? A -31.369 41.297 1.404 1.000 1 A 28.852 1 ATOM 2783 C C . GLY 352 352 ? A -31.404 39.965 0.679 1.000 1 A 28.852 1 ATOM 2784 O O . GLY 352 352 ? A -30.463 39.175 0.776 1.000 1 A 28.852 1 ATOM 2785 N N . SER 353 353 ? A -32.570 39.392 0.513 1.000 1 A 33.339 1 ATOM 2786 C CA . SER 353 353 ? A -33.276 39.295 -0.760 1.000 1 A 33.339 1 ATOM 2787 C C . SER 353 353 ? A -33.635 37.849 -1.084 1.000 1 A 33.339 1 ATOM 2788 O O . SER 353 353 ? A -32.792 36.956 -0.981 1.000 1 A 33.339 1 ATOM 2789 C CB . SER 353 353 ? A -32.430 39.885 -1.889 1.000 1 A 33.339 1 ATOM 2790 O OG . SER 353 353 ? A -31.065 39.950 -1.513 1.000 1 A 33.339 1 ATOM 2791 N N . GLU 354 354 ? A -34.832 37.446 -0.821 1.000 1 A 30.114 1 ATOM 2792 C CA . GLU 354 354 ? A -35.911 37.195 -1.773 1.000 1 A 30.114 1 ATOM 2793 C C . GLU 354 354 ? A -35.383 37.144 -3.204 1.000 1 A 30.114 1 ATOM 2794 O O . GLU 354 354 ? A -34.595 37.999 -3.611 1.000 1 A 30.114 1 ATOM 2795 C CB . GLU 354 354 ? A -36.996 38.268 -1.650 1.000 1 A 30.114 1 ATOM 2796 C CG . GLU 354 354 ? A -38.015 37.989 -0.555 1.000 1 A 30.114 1 ATOM 2797 C CD . GLU 354 354 ? A -39.146 39.005 -0.515 1.000 1 A 30.114 1 ATOM 2798 O OE1 . GLU 354 354 ? A -40.078 38.843 0.305 1.000 1 A 30.114 1 ATOM 2799 O OE2 . GLU 354 354 ? A -39.100 39.969 -1.311 1.000 1 A 30.114 1 ATOM 2800 N N . SER 355 355 ? A -35.476 35.992 -3.891 1.000 1 A 35.070 1 ATOM 2801 C CA . SER 355 355 ? A -35.941 35.830 -5.265 1.000 1 A 35.070 1 ATOM 2802 C C . SER 355 355 ? A -35.919 34.364 -5.686 1.000 1 A 35.070 1 ATOM 2803 O O . SER 355 355 ? A -34.967 33.640 -5.388 1.000 1 A 35.070 1 ATOM 2804 C CB . SER 355 355 ? A -35.081 36.656 -6.223 1.000 1 A 35.070 1 ATOM 2805 O OG . SER 355 355 ? A -33.739 36.201 -6.215 1.000 1 A 35.070 1 ATOM 2806 N N . HIS 356 356 ? A -37.092 33.704 -5.878 1.000 1 A 25.171 1 ATOM 2807 C CA . HIS 356 356 ? A -37.875 33.339 -7.054 1.000 1 A 25.171 1 ATOM 2808 C C . HIS 356 356 ? A -36.971 33.034 -8.244 1.000 1 A 25.171 1 ATOM 2809 O O . HIS 356 356 ? A -36.014 33.765 -8.506 1.000 1 A 25.171 1 ATOM 2810 C CB . HIS 356 356 ? A -38.855 34.458 -7.412 1.000 1 A 25.171 1 ATOM 2811 C CG . HIS 356 356 ? A -40.149 34.383 -6.666 1.000 1 A 25.171 1 ATOM 2812 N ND1 . HIS 356 356 ? A -41.126 33.457 -6.961 1.000 1 A 25.171 1 ATOM 2813 C CD2 . HIS 356 356 ? A -40.624 35.120 -5.634 1.000 1 A 25.171 1 ATOM 2814 C CE1 . HIS 356 356 ? A -42.149 33.629 -6.141 1.000 1 A 25.171 1 ATOM 2815 N NE2 . HIS 356 356 ? A -41.870 34.631 -5.326 1.000 1 A 25.171 1 ATOM 2816 N N . SER 357 357 ? A -37.051 31.813 -8.849 1.000 1 A 27.436 1 ATOM 2817 C CA . SER 357 357 ? A -37.343 31.362 -10.206 1.000 1 A 27.436 1 ATOM 2818 C C . SER 357 357 ? A -36.425 30.216 -10.617 1.000 1 A 27.436 1 ATOM 2819 O O . SER 357 357 ? A -35.226 30.241 -10.332 1.000 1 A 27.436 1 ATOM 2820 C CB . SER 357 357 ? A -37.204 32.518 -11.197 1.000 1 A 27.436 1 ATOM 2821 O OG . SER 357 357 ? A -36.026 33.263 -10.940 1.000 1 A 27.436 1 ATOM 2822 N N . LEU 358 358 ? A -36.898 28.931 -10.760 1.000 1 A 38.970 1 ATOM 2823 C CA . LEU 358 358 ? A -36.943 27.693 -11.531 1.000 1 A 38.970 1 ATOM 2824 C C . LEU 358 358 ? A -36.297 26.548 -10.759 1.000 1 A 38.970 1 ATOM 2825 O O . LEU 358 358 ? A -35.177 26.683 -10.260 1.000 1 A 38.970 1 ATOM 2826 C CB . LEU 358 358 ? A -36.241 27.875 -12.879 1.000 1 A 38.970 1 ATOM 2827 C CG . LEU 358 358 ? A -37.048 28.575 -13.974 1.000 1 A 38.970 1 ATOM 2828 C CD1 . LEU 358 358 ? A -36.116 29.324 -14.922 1.000 1 A 38.970 1 ATOM 2829 C CD2 . LEU 358 358 ? A -37.899 27.567 -14.739 1.000 1 A 38.970 1 ATOM 2830 N N . MET 1 1 ? B -14.168 -30.940 -43.938 1.000 2 B 54.801 1 ATOM 2831 C CA . MET 1 1 ? B -13.169 -29.875 -43.936 1.000 2 B 54.801 1 ATOM 2832 C C . MET 1 1 ? B -13.553 -28.770 -42.958 1.000 2 B 54.801 1 ATOM 2833 O O . MET 1 1 ? B -12.843 -27.771 -42.835 1.000 2 B 54.801 1 ATOM 2834 C CB . MET 1 1 ? B -12.999 -29.295 -45.341 1.000 2 B 54.801 1 ATOM 2835 C CG . MET 1 1 ? B -12.268 -30.219 -46.302 1.000 2 B 54.801 1 ATOM 2836 S SD . MET 1 1 ? B -11.919 -29.420 -47.917 1.000 2 B 54.801 1 ATOM 2837 C CE . MET 1 1 ? B -10.588 -28.286 -47.432 1.000 2 B 54.801 1 ATOM 2838 N N . SER 2 2 ? B -14.368 -29.085 -41.865 1.000 2 B 64.530 1 ATOM 2839 C CA . SER 2 2 ? B -14.922 -28.007 -41.051 1.000 2 B 64.530 1 ATOM 2840 C C . SER 2 2 ? B -14.573 -28.190 -39.578 1.000 2 B 64.530 1 ATOM 2841 O O . SER 2 2 ? B -14.426 -27.211 -38.843 1.000 2 B 64.530 1 ATOM 2842 C CB . SER 2 2 ? B -16.441 -27.937 -41.218 1.000 2 B 64.530 1 ATOM 2843 O OG . SER 2 2 ? B -17.090 -28.017 -39.961 1.000 2 B 64.530 1 ATOM 2844 N N . ARG 3 3 ? B -14.007 -29.339 -39.228 1.000 2 B 59.750 1 ATOM 2845 C CA . ARG 3 3 ? B -13.674 -29.558 -37.824 1.000 2 B 59.750 1 ATOM 2846 C C . ARG 3 3 ? B -12.218 -29.201 -37.544 1.000 2 B 59.750 1 ATOM 2847 O O . ARG 3 3 ? B -11.899 -28.664 -36.482 1.000 2 B 59.750 1 ATOM 2848 C CB . ARG 3 3 ? B -13.943 -31.011 -37.429 1.000 2 B 59.750 1 ATOM 2849 C CG . ARG 3 3 ? B -15.372 -31.274 -36.982 1.000 2 B 59.750 1 ATOM 2850 C CD . ARG 3 3 ? B -15.560 -32.707 -36.505 1.000 2 B 59.750 1 ATOM 2851 N NE . ARG 3 3 ? B -16.915 -32.939 -36.013 1.000 2 B 59.750 1 ATOM 2852 C CZ . ARG 3 3 ? B -17.353 -34.090 -35.510 1.000 2 B 59.750 1 ATOM 2853 N NH1 . ARG 3 3 ? B -16.546 -35.142 -35.423 1.000 2 B 59.750 1 ATOM 2854 N NH2 . ARG 3 3 ? B -18.606 -34.191 -35.092 1.000 2 B 59.750 1 ATOM 2855 N N . SER 4 4 ? B -11.384 -29.234 -38.624 1.000 2 B 67.133 1 ATOM 2856 C CA . SER 4 4 ? B -9.965 -28.936 -38.462 1.000 2 B 67.133 1 ATOM 2857 C C . SER 4 4 ? B -9.710 -27.432 -38.482 1.000 2 B 67.133 1 ATOM 2858 O O . SER 4 4 ? B -8.870 -26.930 -37.733 1.000 2 B 67.133 1 ATOM 2859 C CB . SER 4 4 ? B -9.145 -29.614 -39.560 1.000 2 B 67.133 1 ATOM 2860 O OG . SER 4 4 ? B -9.653 -30.908 -39.840 1.000 2 B 67.133 1 ATOM 2861 N N . VAL 5 5 ? B -10.540 -26.607 -39.165 1.000 2 B 70.441 1 ATOM 2862 C CA . VAL 5 5 ? B -10.411 -25.156 -39.243 1.000 2 B 70.441 1 ATOM 2863 C C . VAL 5 5 ? B -10.932 -24.521 -37.956 1.000 2 B 70.441 1 ATOM 2864 O O . VAL 5 5 ? B -10.338 -23.571 -37.441 1.000 2 B 70.441 1 ATOM 2865 C CB . VAL 5 5 ? B -11.166 -24.584 -40.464 1.000 2 B 70.441 1 ATOM 2866 C CG1 . VAL 5 5 ? B -11.111 -23.057 -40.465 1.000 2 B 70.441 1 ATOM 2867 C CG2 . VAL 5 5 ? B -10.585 -25.144 -41.761 1.000 2 B 70.441 1 ATOM 2868 N N . ALA 6 6 ? B -11.954 -25.143 -37.331 1.000 2 B 70.383 1 ATOM 2869 C CA . ALA 6 6 ? B -12.536 -24.639 -36.090 1.000 2 B 70.383 1 ATOM 2870 C C . ALA 6 6 ? B -11.595 -24.867 -34.910 1.000 2 B 70.383 1 ATOM 2871 O O . ALA 6 6 ? B -11.443 -23.995 -34.052 1.000 2 B 70.383 1 ATOM 2872 C CB . ALA 6 6 ? B -13.885 -25.303 -35.826 1.000 2 B 70.383 1 ATOM 2873 N N . LEU 7 7 ? B -10.863 -26.051 -34.958 1.000 2 B 69.727 1 ATOM 2874 C CA . LEU 7 7 ? B -9.890 -26.345 -33.912 1.000 2 B 69.727 1 ATOM 2875 C C . LEU 7 7 ? B -8.649 -25.473 -34.062 1.000 2 B 69.727 1 ATOM 2876 O O . LEU 7 7 ? B -8.080 -25.018 -33.067 1.000 2 B 69.727 1 ATOM 2877 C CB . LEU 7 7 ? B -9.497 -27.824 -33.947 1.000 2 B 69.727 1 ATOM 2878 C CG . LEU 7 7 ? B -10.422 -28.790 -33.204 1.000 2 B 69.727 1 ATOM 2879 C CD1 . LEU 7 7 ? B -10.343 -30.181 -33.824 1.000 2 B 69.727 1 ATOM 2880 C CD2 . LEU 7 7 ? B -10.066 -28.839 -31.722 1.000 2 B 69.727 1 ATOM 2881 N N . ALA 8 8 ? B -8.337 -25.136 -35.329 1.000 2 B 68.968 1 ATOM 2882 C CA . ALA 8 8 ? B -7.204 -24.257 -35.609 1.000 2 B 68.968 1 ATOM 2883 C C . ALA 8 8 ? B -7.518 -22.816 -35.217 1.000 2 B 68.968 1 ATOM 2884 O O . ALA 8 8 ? B -6.673 -22.123 -34.647 1.000 2 B 68.968 1 ATOM 2885 C CB . ALA 8 8 ? B -6.825 -24.333 -37.086 1.000 2 B 68.968 1 ATOM 2886 N N . VAL 9 9 ? B -8.754 -22.392 -35.424 1.000 2 B 67.420 1 ATOM 2887 C CA . VAL 9 9 ? B -9.184 -21.047 -35.057 1.000 2 B 67.420 1 ATOM 2888 C C . VAL 9 9 ? B -9.293 -20.937 -33.538 1.000 2 B 67.420 1 ATOM 2889 O O . VAL 9 9 ? B -8.875 -19.937 -32.950 1.000 2 B 67.420 1 ATOM 2890 C CB . VAL 9 9 ? B -10.533 -20.683 -35.716 1.000 2 B 67.420 1 ATOM 2891 C CG1 . VAL 9 9 ? B -11.053 -19.350 -35.180 1.000 2 B 67.420 1 ATOM 2892 C CG2 . VAL 9 9 ? B -10.387 -20.631 -37.236 1.000 2 B 67.420 1 ATOM 2893 N N . LEU 10 10 ? B -9.805 -22.015 -32.834 1.000 2 B 63.118 1 ATOM 2894 C CA . LEU 10 10 ? B -9.897 -22.033 -31.379 1.000 2 B 63.118 1 ATOM 2895 C C . LEU 10 10 ? B -8.511 -22.100 -30.746 1.000 2 B 63.118 1 ATOM 2896 O O . LEU 10 10 ? B -8.252 -21.440 -29.737 1.000 2 B 63.118 1 ATOM 2897 C CB . LEU 10 10 ? B -10.742 -23.221 -30.910 1.000 2 B 63.118 1 ATOM 2898 C CG . LEU 10 10 ? B -11.915 -22.895 -29.983 1.000 2 B 63.118 1 ATOM 2899 C CD1 . LEU 10 10 ? B -13.236 -23.022 -30.735 1.000 2 B 63.118 1 ATOM 2900 C CD2 . LEU 10 10 ? B -11.900 -23.806 -28.761 1.000 2 B 63.118 1 ATOM 2901 N N . ALA 11 11 ? B -7.572 -22.852 -31.370 1.000 2 B 61.783 1 ATOM 2902 C CA . ALA 11 11 ? B -6.177 -22.881 -30.940 1.000 2 B 61.783 1 ATOM 2903 C C . ALA 11 11 ? B -5.493 -21.543 -31.208 1.000 2 B 61.783 1 ATOM 2904 O O . ALA 11 11 ? B -4.722 -21.056 -30.377 1.000 2 B 61.783 1 ATOM 2905 C CB . ALA 11 11 ? B -5.426 -24.009 -31.644 1.000 2 B 61.783 1 ATOM 2906 N N . LEU 12 12 ? B -5.875 -20.885 -32.365 1.000 2 B 56.934 1 ATOM 2907 C CA . LEU 12 12 ? B -5.306 -19.582 -32.689 1.000 2 B 56.934 1 ATOM 2908 C C . LEU 12 12 ? B -5.908 -18.492 -31.808 1.000 2 B 56.934 1 ATOM 2909 O O . LEU 12 12 ? B -5.216 -17.547 -31.423 1.000 2 B 56.934 1 ATOM 2910 C CB . LEU 12 12 ? B -5.538 -19.247 -34.165 1.000 2 B 56.934 1 ATOM 2911 C CG . LEU 12 12 ? B -4.505 -19.791 -35.153 1.000 2 B 56.934 1 ATOM 2912 C CD1 . LEU 12 12 ? B -5.173 -20.141 -36.479 1.000 2 B 56.934 1 ATOM 2913 C CD2 . LEU 12 12 ? B -3.383 -18.780 -35.364 1.000 2 B 56.934 1 ATOM 2914 N N . LEU 13 13 ? B -7.208 -18.712 -31.368 1.000 2 B 52.550 1 ATOM 2915 C CA . LEU 13 13 ? B -7.853 -17.738 -30.493 1.000 2 B 52.550 1 ATOM 2916 C C . LEU 13 13 ? B -7.405 -17.925 -29.048 1.000 2 B 52.550 1 ATOM 2917 O O . LEU 13 13 ? B -7.377 -16.966 -28.273 1.000 2 B 52.550 1 ATOM 2918 C CB . LEU 13 13 ? B -9.377 -17.860 -30.587 1.000 2 B 52.550 1 ATOM 2919 C CG . LEU 13 13 ? B -10.023 -17.312 -31.860 1.000 2 B 52.550 1 ATOM 2920 C CD1 . LEU 13 13 ? B -11.440 -17.856 -32.012 1.000 2 B 52.550 1 ATOM 2921 C CD2 . LEU 13 13 ? B -10.029 -15.788 -31.843 1.000 2 B 52.550 1 ATOM 2922 N N . SER 14 14 ? B -6.905 -19.188 -28.680 1.000 2 B 50.803 1 ATOM 2923 C CA . SER 14 14 ? B -6.307 -19.381 -27.363 1.000 2 B 50.803 1 ATOM 2924 C C . SER 14 14 ? B -4.873 -18.864 -27.325 1.000 2 B 50.803 1 ATOM 2925 O O . SER 14 14 ? B -4.289 -18.714 -26.250 1.000 2 B 50.803 1 ATOM 2926 C CB . SER 14 14 ? B -6.335 -20.859 -26.972 1.000 2 B 50.803 1 ATOM 2927 O OG . SER 14 14 ? B -5.838 -21.667 -28.025 1.000 2 B 50.803 1 ATOM 2928 N N . LEU 15 15 ? B -4.282 -18.527 -28.615 1.000 2 B 47.661 1 ATOM 2929 C CA . LEU 15 15 ? B -3.009 -17.824 -28.727 1.000 2 B 47.661 1 ATOM 2930 C C . LEU 15 15 ? B -3.183 -16.335 -28.451 1.000 2 B 47.661 1 ATOM 2931 O O . LEU 15 15 ? B -2.304 -15.532 -28.773 1.000 2 B 47.661 1 ATOM 2932 C CB . LEU 15 15 ? B -2.403 -18.030 -30.118 1.000 2 B 47.661 1 ATOM 2933 C CG . LEU 15 15 ? B -1.329 -19.112 -30.236 1.000 2 B 47.661 1 ATOM 2934 C CD1 . LEU 15 15 ? B -1.875 -20.321 -30.989 1.000 2 B 47.661 1 ATOM 2935 C CD2 . LEU 15 15 ? B -0.088 -18.561 -30.929 1.000 2 B 47.661 1 ATOM 2936 N N . SER 16 16 ? B -4.461 -15.870 -28.037 1.000 2 B 48.079 1 ATOM 2937 C CA . SER 16 16 ? B -4.643 -14.481 -27.629 1.000 2 B 48.079 1 ATOM 2938 C C . SER 16 16 ? B -3.570 -14.052 -26.635 1.000 2 B 48.079 1 ATOM 2939 O O . SER 16 16 ? B -3.290 -14.766 -25.669 1.000 2 B 48.079 1 ATOM 2940 C CB . SER 16 16 ? B -6.029 -14.280 -27.015 1.000 2 B 48.079 1 ATOM 2941 O OG . SER 16 16 ? B -6.528 -15.497 -26.489 1.000 2 B 48.079 1 ATOM 2942 N N . GLY 17 17 ? B -2.313 -14.038 -27.012 1.000 2 B 51.086 1 ATOM 2943 C CA . GLY 17 17 ? B -1.289 -13.066 -26.665 1.000 2 B 51.086 1 ATOM 2944 C C . GLY 17 17 ? B -1.301 -12.685 -25.197 1.000 2 B 51.086 1 ATOM 2945 O O . GLY 17 17 ? B -2.365 -12.455 -24.618 1.000 2 B 51.086 1 ATOM 2946 N N . LEU 18 18 ? B -0.886 -13.571 -24.246 1.000 2 B 58.745 1 ATOM 2947 C CA . LEU 18 18 ? B -0.607 -13.278 -22.845 1.000 2 B 58.745 1 ATOM 2948 C C . LEU 18 18 ? B -0.301 -11.796 -22.649 1.000 2 B 58.745 1 ATOM 2949 O O . LEU 18 18 ? B 0.815 -11.347 -22.922 1.000 2 B 58.745 1 ATOM 2950 C CB . LEU 18 18 ? B 0.566 -14.124 -22.343 1.000 2 B 58.745 1 ATOM 2951 C CG . LEU 18 18 ? B 0.223 -15.238 -21.353 1.000 2 B 58.745 1 ATOM 2952 C CD1 . LEU 18 18 ? B 0.243 -16.593 -22.053 1.000 2 B 58.745 1 ATOM 2953 C CD2 . LEU 18 18 ? B 1.192 -15.225 -20.176 1.000 2 B 58.745 1 ATOM 2954 N N . GLU 19 19 ? B -1.175 -11.006 -23.140 1.000 2 B 74.360 1 ATOM 2955 C CA . GLU 19 19 ? B -1.048 -9.571 -22.899 1.000 2 B 74.360 1 ATOM 2956 C C . GLU 19 19 ? B -0.953 -9.269 -21.406 1.000 2 B 74.360 1 ATOM 2957 O O . GLU 19 19 ? B -1.398 -10.065 -20.577 1.000 2 B 74.360 1 ATOM 2958 C CB . GLU 19 19 ? B -2.230 -8.817 -23.514 1.000 2 B 74.360 1 ATOM 2959 C CG . GLU 19 19 ? B -2.156 -8.687 -25.028 1.000 2 B 74.360 1 ATOM 2960 C CD . GLU 19 19 ? B -3.334 -7.934 -25.625 1.000 2 B 74.360 1 ATOM 2961 O OE1 . GLU 19 19 ? B -3.381 -7.762 -26.864 1.000 2 B 74.360 1 ATOM 2962 O OE2 . GLU 19 19 ? B -4.217 -7.511 -24.846 1.000 2 B 74.360 1 ATOM 2963 N N . ALA 20 20 ? B -0.063 -8.312 -21.069 1.000 2 B 85.013 1 ATOM 2964 C CA . ALA 20 20 ? B 0.077 -7.808 -19.705 1.000 2 B 85.013 1 ATOM 2965 C C . ALA 20 20 ? B -1.288 -7.597 -19.056 1.000 2 B 85.013 1 ATOM 2966 O O . ALA 20 20 ? B -2.215 -7.094 -19.695 1.000 2 B 85.013 1 ATOM 2967 C CB . ALA 20 20 ? B 0.874 -6.506 -19.697 1.000 2 B 85.013 1 ATOM 2968 N N . ILE 21 21 ? B -1.499 -8.158 -17.778 1.000 2 B 91.285 1 ATOM 2969 C CA . ILE 21 21 ? B -2.727 -7.951 -17.019 1.000 2 B 91.285 1 ATOM 2970 C C . ILE 21 21 ? B -2.947 -6.458 -16.790 1.000 2 B 91.285 1 ATOM 2971 O O . ILE 21 21 ? B -2.020 -5.738 -16.411 1.000 2 B 91.285 1 ATOM 2972 C CB . ILE 21 21 ? B -2.690 -8.701 -15.669 1.000 2 B 91.285 1 ATOM 2973 C CG1 . ILE 21 21 ? B -2.649 -10.216 -15.900 1.000 2 B 91.285 1 ATOM 2974 C CG2 . ILE 21 21 ? B -3.891 -8.312 -14.802 1.000 2 B 91.285 1 ATOM 2975 C CD1 . ILE 21 21 ? B -2.501 -11.034 -14.625 1.000 2 B 91.285 1 ATOM 2976 N N . GLN 22 22 ? B -4.129 -6.093 -17.153 1.000 2 B 95.107 1 ATOM 2977 C CA . GLN 22 22 ? B -4.520 -4.720 -16.851 1.000 2 B 95.107 1 ATOM 2978 C C . GLN 22 22 ? B -5.575 -4.678 -15.750 1.000 2 B 95.107 1 ATOM 2979 O O . GLN 22 22 ? B -6.563 -5.414 -15.801 1.000 2 B 95.107 1 ATOM 2980 C CB . GLN 22 22 ? B -5.043 -4.021 -18.107 1.000 2 B 95.107 1 ATOM 2981 C CG . GLN 22 22 ? B -4.001 -3.872 -19.207 1.000 2 B 95.107 1 ATOM 2982 C CD . GLN 22 22 ? B -4.529 -3.126 -20.418 1.000 2 B 95.107 1 ATOM 2983 O OE1 . GLN 22 22 ? B -5.725 -2.833 -20.511 1.000 2 B 95.107 1 ATOM 2984 N NE2 . GLN 22 22 ? B -3.640 -2.813 -21.356 1.000 2 B 95.107 1 ATOM 2985 N N . ARG 23 23 ? B -5.257 -3.888 -14.774 1.000 2 B 97.524 1 ATOM 2986 C CA . ARG 23 23 ? B -6.193 -3.709 -13.669 1.000 2 B 97.524 1 ATOM 2987 C C . ARG 23 23 ? B -6.549 -2.237 -13.486 1.000 2 B 97.524 1 ATOM 2988 O O . ARG 23 23 ? B -5.668 -1.375 -13.484 1.000 2 B 97.524 1 ATOM 2989 C CB . ARG 23 23 ? B -5.607 -4.271 -12.371 1.000 2 B 97.524 1 ATOM 2990 C CG . ARG 23 23 ? B -5.339 -5.766 -12.414 1.000 2 B 97.524 1 ATOM 2991 C CD . ARG 23 23 ? B -4.828 -6.286 -11.077 1.000 2 B 97.524 1 ATOM 2992 N NE . ARG 23 23 ? B -4.669 -7.738 -11.089 1.000 2 B 97.524 1 ATOM 2993 C CZ . ARG 23 23 ? B -4.351 -8.474 -10.027 1.000 2 B 97.524 1 ATOM 2994 N NH1 . ARG 23 23 ? B -4.151 -7.906 -8.843 1.000 2 B 97.524 1 ATOM 2995 N NH2 . ARG 23 23 ? B -4.233 -9.788 -10.149 1.000 2 B 97.524 1 ATOM 2996 N N . THR 24 24 ? B -7.835 -2.044 -13.377 1.000 2 B 98.006 1 ATOM 2997 C CA . THR 24 24 ? B -8.337 -0.686 -13.203 1.000 2 B 98.006 1 ATOM 2998 C C . THR 24 24 ? B -8.090 -0.197 -11.778 1.000 2 B 98.006 1 ATOM 2999 O O . THR 24 24 ? B -8.334 -0.926 -10.815 1.000 2 B 98.006 1 ATOM 3000 C CB . THR 24 24 ? B -9.840 -0.600 -13.524 1.000 2 B 98.006 1 ATOM 3001 O OG1 . THR 24 24 ? B -10.055 -0.999 -14.884 1.000 2 B 98.006 1 ATOM 3002 C CG2 . THR 24 24 ? B -10.363 0.820 -13.335 1.000 2 B 98.006 1 ATOM 3003 N N . PRO 25 25 ? B -7.579 1.029 -11.613 1.000 2 B 98.081 1 ATOM 3004 C CA . PRO 25 25 ? B -7.268 1.567 -10.286 1.000 2 B 98.081 1 ATOM 3005 C C . PRO 25 25 ? B -8.512 1.757 -9.421 1.000 2 B 98.081 1 ATOM 3006 O O . PRO 25 25 ? B -9.583 2.087 -9.936 1.000 2 B 98.081 1 ATOM 3007 C CB . PRO 25 25 ? B -6.608 2.912 -10.597 1.000 2 B 98.081 1 ATOM 3008 C CG . PRO 25 25 ? B -7.139 3.297 -11.940 1.000 2 B 98.081 1 ATOM 3009 C CD . PRO 25 25 ? B -7.384 2.046 -12.732 1.000 2 B 98.081 1 ATOM 3010 N N . LYS 26 26 ? B -8.340 1.463 -8.153 1.000 2 B 97.455 1 ATOM 3011 C CA . LYS 26 26 ? B -9.260 1.897 -7.106 1.000 2 B 97.455 1 ATOM 3012 C C . LYS 26 26 ? B -8.805 3.215 -6.486 1.000 2 B 97.455 1 ATOM 3013 O O . LYS 26 26 ? B -7.653 3.345 -6.067 1.000 2 B 97.455 1 ATOM 3014 C CB . LYS 26 26 ? B -9.385 0.824 -6.023 1.000 2 B 97.455 1 ATOM 3015 C CG . LYS 26 26 ? B -9.892 -0.516 -6.535 1.000 2 B 97.455 1 ATOM 3016 C CD . LYS 26 26 ? B -9.862 -1.579 -5.445 1.000 2 B 97.455 1 ATOM 3017 C CE . LYS 26 26 ? B -10.244 -2.950 -5.988 1.000 2 B 97.455 1 ATOM 3018 N NZ . LYS 26 26 ? B -10.127 -4.012 -4.944 1.000 2 B 97.455 1 ATOM 3019 N N . ILE 27 27 ? B -9.772 4.186 -6.455 1.000 2 B 97.420 1 ATOM 3020 C CA . ILE 27 27 ? B -9.390 5.535 -6.053 1.000 2 B 97.420 1 ATOM 3021 C C . ILE 27 27 ? B -10.132 5.923 -4.776 1.000 2 B 97.420 1 ATOM 3022 O O . ILE 27 27 ? B -11.358 5.810 -4.705 1.000 2 B 97.420 1 ATOM 3023 C CB . ILE 27 27 ? B -9.677 6.561 -7.172 1.000 2 B 97.420 1 ATOM 3024 C CG1 . ILE 27 27 ? B -8.968 6.151 -8.468 1.000 2 B 97.420 1 ATOM 3025 C CG2 . ILE 27 27 ? B -9.254 7.967 -6.737 1.000 2 B 97.420 1 ATOM 3026 C CD1 . ILE 27 27 ? B -9.587 6.742 -9.726 1.000 2 B 97.420 1 ATOM 3027 N N . GLN 28 28 ? B -9.392 6.299 -3.834 1.000 2 B 96.438 1 ATOM 3028 C CA . GLN 28 28 ? B -9.966 6.809 -2.594 1.000 2 B 96.438 1 ATOM 3029 C C . GLN 28 28 ? B -9.428 8.200 -2.269 1.000 2 B 96.438 1 ATOM 3030 O O . GLN 28 28 ? B -8.213 8.407 -2.229 1.000 2 B 96.438 1 ATOM 3031 C CB . GLN 28 28 ? B -9.680 5.852 -1.436 1.000 2 B 96.438 1 ATOM 3032 C CG . GLN 28 28 ? B -10.277 4.464 -1.623 1.000 2 B 96.438 1 ATOM 3033 C CD . GLN 28 28 ? B -9.931 3.518 -0.488 1.000 2 B 96.438 1 ATOM 3034 O OE1 . GLN 28 28 ? B -10.369 3.707 0.651 1.000 2 B 96.438 1 ATOM 3035 N NE2 . GLN 28 28 ? B -9.140 2.493 -0.791 1.000 2 B 96.438 1 ATOM 3036 N N . VAL 29 29 ? B -10.400 9.169 -2.026 1.000 2 B 97.283 1 ATOM 3037 C CA . VAL 29 29 ? B -10.051 10.525 -1.613 1.000 2 B 97.283 1 ATOM 3038 C C . VAL 29 29 ? B -10.580 10.789 -0.206 1.000 2 B 97.283 1 ATOM 3039 O O . VAL 29 29 ? B -11.787 10.708 0.036 1.000 2 B 97.283 1 ATOM 3040 C CB . VAL 29 29 ? B -10.606 11.578 -2.598 1.000 2 B 97.283 1 ATOM 3041 C CG1 . VAL 29 29 ? B -10.043 12.963 -2.282 1.000 2 B 97.283 1 ATOM 3042 C CG2 . VAL 29 29 ? B -10.285 11.183 -4.038 1.000 2 B 97.283 1 ATOM 3043 N N . TYR 30 30 ? B -9.628 11.118 0.672 1.000 2 B 96.129 1 ATOM 3044 C CA . TYR 30 30 ? B -10.029 11.260 2.067 1.000 2 B 96.129 1 ATOM 3045 C C . TYR 30 30 ? B -9.087 12.198 2.813 1.000 2 B 96.129 1 ATOM 3046 O O . TYR 30 30 ? B -8.031 12.569 2.294 1.000 2 B 96.129 1 ATOM 3047 C CB . TYR 30 30 ? B -10.060 9.894 2.760 1.000 2 B 96.129 1 ATOM 3048 C CG . TYR 30 30 ? B -8.744 9.157 2.709 1.000 2 B 96.129 1 ATOM 3049 C CD1 . TYR 30 30 ? B -8.374 8.429 1.581 1.000 2 B 96.129 1 ATOM 3050 C CD2 . TYR 30 30 ? B -7.869 9.187 3.789 1.000 2 B 96.129 1 ATOM 3051 C CE1 . TYR 30 30 ? B -7.163 7.747 1.531 1.000 2 B 96.129 1 ATOM 3052 C CE2 . TYR 30 30 ? B -6.655 8.509 3.750 1.000 2 B 96.129 1 ATOM 3053 C CZ . TYR 30 30 ? B -6.311 7.793 2.618 1.000 2 B 96.129 1 ATOM 3054 O OH . TYR 30 30 ? B -5.111 7.119 2.574 1.000 2 B 96.129 1 ATOM 3055 N N . SER 31 31 ? B -9.615 12.658 3.989 1.000 2 B 95.948 1 ATOM 3056 C CA . SER 31 31 ? B -8.782 13.480 4.861 1.000 2 B 95.948 1 ATOM 3057 C C . SER 31 31 ? B -8.189 12.655 5.997 1.000 2 B 95.948 1 ATOM 3058 O O . SER 31 31 ? B -8.734 11.612 6.364 1.000 2 B 95.948 1 ATOM 3059 C CB . SER 31 31 ? B -9.591 14.644 5.434 1.000 2 B 95.948 1 ATOM 3060 O OG . SER 31 31 ? B -10.648 14.169 6.250 1.000 2 B 95.948 1 ATOM 3061 N N . ARG 32 32 ? B -7.087 13.139 6.508 1.000 2 B 94.660 1 ATOM 3062 C CA . ARG 32 32 ? B -6.395 12.450 7.592 1.000 2 B 94.660 1 ATOM 3063 C C . ARG 32 32 ? B -7.236 12.446 8.864 1.000 2 B 94.660 1 ATOM 3064 O O . ARG 32 32 ? B -7.380 11.410 9.516 1.000 2 B 94.660 1 ATOM 3065 C CB . ARG 32 32 ? B -5.037 13.102 7.864 1.000 2 B 94.660 1 ATOM 3066 C CG . ARG 32 32 ? B -4.230 12.413 8.953 1.000 2 B 94.660 1 ATOM 3067 C CD . ARG 32 32 ? B -2.850 13.036 9.111 1.000 2 B 94.660 1 ATOM 3068 N NE . ARG 32 32 ? B -2.039 12.861 7.910 1.000 2 B 94.660 1 ATOM 3069 C CZ . ARG 32 32 ? B -0.856 13.433 7.705 1.000 2 B 94.660 1 ATOM 3070 N NH1 . ARG 32 32 ? B -0.320 14.231 8.621 1.000 2 B 94.660 1 ATOM 3071 N NH2 . ARG 32 32 ? B -0.203 13.206 6.574 1.000 2 B 94.660 1 ATOM 3072 N N . HIS 33 33 ? B -7.758 13.602 9.161 1.000 2 B 92.112 1 ATOM 3073 C CA . HIS 33 33 ? B -8.640 13.811 10.304 1.000 2 B 92.112 1 ATOM 3074 C C . HIS 33 33 ? B -10.032 14.242 9.854 1.000 2 B 92.112 1 ATOM 3075 O O . HIS 33 33 ? B -10.207 14.714 8.728 1.000 2 B 92.112 1 ATOM 3076 C CB . HIS 33 33 ? B -8.048 14.853 11.254 1.000 2 B 92.112 1 ATOM 3077 C CG . HIS 33 33 ? B -6.636 14.567 11.654 1.000 2 B 92.112 1 ATOM 3078 N ND1 . HIS 33 33 ? B -6.284 13.469 12.409 1.000 2 B 92.112 1 ATOM 3079 C CD2 . HIS 33 33 ? B -5.487 15.237 11.400 1.000 2 B 92.112 1 ATOM 3080 C CE1 . HIS 33 33 ? B -4.976 13.477 12.604 1.000 2 B 92.112 1 ATOM 3081 N NE2 . HIS 33 33 ? B -4.469 14.539 12.002 1.000 2 B 92.112 1 ATOM 3082 N N . PRO 34 34 ? B -11.002 13.965 10.780 1.000 2 B 91.822 1 ATOM 3083 C CA . PRO 34 34 ? B -12.310 14.523 10.428 1.000 2 B 91.822 1 ATOM 3084 C C . PRO 34 34 ? B -12.237 15.998 10.039 1.000 2 B 91.822 1 ATOM 3085 O O . PRO 34 34 ? B -11.587 16.790 10.726 1.000 2 B 91.822 1 ATOM 3086 C CB . PRO 34 34 ? B -13.130 14.335 11.707 1.000 2 B 91.822 1 ATOM 3087 C CG . PRO 34 34 ? B -12.511 13.157 12.388 1.000 2 B 91.822 1 ATOM 3088 C CD . PRO 34 34 ? B -11.029 13.193 12.150 1.000 2 B 91.822 1 ATOM 3089 N N . ALA 35 35 ? B -12.814 16.315 8.912 1.000 2 B 92.043 1 ATOM 3090 C CA . ALA 35 35 ? B -12.721 17.648 8.321 1.000 2 B 92.043 1 ATOM 3091 C C . ALA 35 35 ? B -13.556 18.655 9.106 1.000 2 B 92.043 1 ATOM 3092 O O . ALA 35 35 ? B -14.724 18.402 9.409 1.000 2 B 92.043 1 ATOM 3093 C CB . ALA 35 35 ? B -13.168 17.614 6.861 1.000 2 B 92.043 1 ATOM 3094 N N . GLU 36 36 ? B -12.918 19.790 9.559 1.000 2 B 92.887 1 ATOM 3095 C CA . GLU 36 36 ? B -13.561 20.966 10.138 1.000 2 B 92.887 1 ATOM 3096 C C . GLU 36 36 ? B -13.194 22.231 9.368 1.000 2 B 92.887 1 ATOM 3097 O O . GLU 36 36 ? B -12.017 22.487 9.107 1.000 2 B 92.887 1 ATOM 3098 C CB . GLU 36 36 ? B -13.177 21.118 11.612 1.000 2 B 92.887 1 ATOM 3099 C CG . GLU 36 36 ? B -13.627 19.958 12.488 1.000 2 B 92.887 1 ATOM 3100 C CD . GLU 36 36 ? B -13.174 20.087 13.934 1.000 2 B 92.887 1 ATOM 3101 O OE1 . GLU 36 36 ? B -12.801 19.061 14.547 1.000 2 B 92.887 1 ATOM 3102 O OE2 . GLU 36 36 ? B -13.194 21.223 14.458 1.000 2 B 92.887 1 ATOM 3103 N N . ASN 37 37 ? B -14.233 22.971 9.086 1.000 2 B 93.328 1 ATOM 3104 C CA . ASN 37 37 ? B -13.981 24.212 8.361 1.000 2 B 93.328 1 ATOM 3105 C C . ASN 37 37 ? B -13.012 25.116 9.118 1.000 2 B 93.328 1 ATOM 3106 O O . ASN 37 37 ? B -13.176 25.339 10.319 1.000 2 B 93.328 1 ATOM 3107 C CB . ASN 37 37 ? B -15.292 24.950 8.087 1.000 2 B 93.328 1 ATOM 3108 C CG . ASN 37 37 ? B -16.154 24.246 7.057 1.000 2 B 93.328 1 ATOM 3109 O OD1 . ASN 37 37 ? B -15.651 23.493 6.219 1.000 2 B 93.328 1 ATOM 3110 N ND2 . ASN 37 37 ? B -17.459 24.485 7.112 1.000 2 B 93.328 1 ATOM 3111 N N . GLY 38 38 ? B -11.931 25.528 8.353 1.000 2 B 94.181 1 ATOM 3112 C CA . GLY 38 38 ? B -11.007 26.497 8.922 1.000 2 B 94.181 1 ATOM 3113 C C . GLY 38 38 ? B -9.852 25.855 9.667 1.000 2 B 94.181 1 ATOM 3114 O O . GLY 38 38 ? B -8.905 26.538 10.061 1.000 2 B 94.181 1 ATOM 3115 N N . LYS 39 39 ? B -9.956 24.514 9.833 1.000 2 B 96.020 1 ATOM 3116 C CA . LYS 39 39 ? B -8.888 23.809 10.537 1.000 2 B 96.020 1 ATOM 3117 C C . LYS 39 39 ? B -8.003 23.038 9.562 1.000 2 B 96.020 1 ATOM 3118 O O . LYS 39 39 ? B -8.503 22.313 8.700 1.000 2 B 96.020 1 ATOM 3119 C CB . LYS 39 39 ? B -9.472 22.855 11.580 1.000 2 B 96.020 1 ATOM 3120 C CG . LYS 39 39 ? B -8.439 22.271 12.532 1.000 2 B 96.020 1 ATOM 3121 C CD . LYS 39 39 ? B -9.093 21.427 13.618 1.000 2 B 96.020 1 ATOM 3122 C CE . LYS 39 39 ? B -8.058 20.812 14.549 1.000 2 B 96.020 1 ATOM 3123 N NZ . LYS 39 39 ? B -8.695 19.986 15.619 1.000 2 B 96.020 1 ATOM 3124 N N . SER 40 40 ? B -6.684 23.224 9.669 1.000 2 B 96.429 1 ATOM 3125 C CA . SER 40 40 ? B -5.718 22.552 8.806 1.000 2 B 96.429 1 ATOM 3126 C C . SER 40 40 ? B -5.882 21.037 8.869 1.000 2 B 96.429 1 ATOM 3127 O O . SER 40 40 ? B -6.153 20.480 9.935 1.000 2 B 96.429 1 ATOM 3128 C CB . SER 40 40 ? B -4.291 22.936 9.198 1.000 2 B 96.429 1 ATOM 3129 O OG . SER 40 40 ? B -3.350 22.323 8.333 1.000 2 B 96.429 1 ATOM 3130 N N . ASN 41 41 ? B -5.673 20.455 7.677 1.000 2 B 95.978 1 ATOM 3131 C CA . ASN 41 41 ? B -5.769 19.007 7.523 1.000 2 B 95.978 1 ATOM 3132 C C . ASN 41 41 ? B -4.921 18.509 6.356 1.000 2 B 95.978 1 ATOM 3133 O O . ASN 41 41 ? B -4.109 19.258 5.810 1.000 2 B 95.978 1 ATOM 3134 C CB . ASN 41 41 ? B -7.228 18.583 7.338 1.000 2 B 95.978 1 ATOM 3135 C CG . ASN 41 41 ? B -7.514 17.208 7.911 1.000 2 B 95.978 1 ATOM 3136 O OD1 . ASN 41 41 ? B -6.620 16.363 8.004 1.000 2 B 95.978 1 ATOM 3137 N ND2 . ASN 41 41 ? B -8.762 16.976 8.301 1.000 2 B 95.978 1 ATOM 3138 N N . PHE 42 42 ? B -5.011 17.170 6.036 1.000 2 B 96.793 1 ATOM 3139 C CA . PHE 42 42 ? B -4.326 16.598 4.883 1.000 2 B 96.793 1 ATOM 3140 C C . PHE 42 42 ? B -5.315 15.897 3.959 1.000 2 B 96.793 1 ATOM 3141 O O . PHE 42 42 ? B -6.140 15.102 4.413 1.000 2 B 96.793 1 ATOM 3142 C CB . PHE 42 42 ? B -3.241 15.615 5.334 1.000 2 B 96.793 1 ATOM 3143 C CG . PHE 42 42 ? B -1.997 16.281 5.855 1.000 2 B 96.793 1 ATOM 3144 C CD1 . PHE 42 42 ? B -0.898 16.477 5.027 1.000 2 B 96.793 1 ATOM 3145 C CD2 . PHE 42 42 ? B -1.926 16.711 7.174 1.000 2 B 96.793 1 ATOM 3146 C CE1 . PHE 42 42 ? B 0.255 17.093 5.507 1.000 2 B 96.793 1 ATOM 3147 C CE2 . PHE 42 42 ? B -0.776 17.328 7.660 1.000 2 B 96.793 1 ATOM 3148 C CZ . PHE 42 42 ? B 0.313 17.517 6.826 1.000 2 B 96.793 1 ATOM 3149 N N . LEU 43 43 ? B -5.207 16.229 2.718 1.000 2 B 97.301 1 ATOM 3150 C CA . LEU 43 43 ? B -5.981 15.570 1.672 1.000 2 B 97.301 1 ATOM 3151 C C . LEU 43 43 ? B -5.188 14.428 1.046 1.000 2 B 97.301 1 ATOM 3152 O O . LEU 43 43 ? B -4.049 14.621 0.613 1.000 2 B 97.301 1 ATOM 3153 C CB . LEU 43 43 ? B -6.388 16.576 0.592 1.000 2 B 97.301 1 ATOM 3154 C CG . LEU 43 43 ? B -7.272 16.041 -0.535 1.000 2 B 97.301 1 ATOM 3155 C CD1 . LEU 43 43 ? B -8.656 15.689 -0.001 1.000 2 B 97.301 1 ATOM 3156 C CD2 . LEU 43 43 ? B -7.372 17.059 -1.666 1.000 2 B 97.301 1 ATOM 3157 N N . ASN 44 44 ? B -5.832 13.278 1.044 1.000 2 B 97.574 1 ATOM 3158 C CA . ASN 44 44 ? B -5.176 12.085 0.520 1.000 2 B 97.574 1 ATOM 3159 C C . ASN 44 44 ? B -5.892 11.548 -0.716 1.000 2 B 97.574 1 ATOM 3160 O O . ASN 44 44 ? B -7.124 11.519 -0.761 1.000 2 B 97.574 1 ATOM 3161 C CB . ASN 44 44 ? B -5.091 11.001 1.597 1.000 2 B 97.574 1 ATOM 3162 C CG . ASN 44 44 ? B -4.253 11.424 2.787 1.000 2 B 97.574 1 ATOM 3163 O OD1 . ASN 44 44 ? B -3.038 11.605 2.673 1.000 2 B 97.574 1 ATOM 3164 N ND2 . ASN 44 44 ? B -4.896 11.587 3.937 1.000 2 B 97.574 1 ATOM 3165 N N . CYS 45 45 ? B -5.129 11.168 -1.699 1.000 2 B 97.943 1 ATOM 3166 C CA . CYS 45 45 ? B -5.569 10.382 -2.847 1.000 2 B 97.943 1 ATOM 3167 C C . CYS 45 45 ? B -4.797 9.071 -2.938 1.000 2 B 97.943 1 ATOM 3168 O O . CYS 45 45 ? B -3.624 9.062 -3.313 1.000 2 B 97.943 1 ATOM 3169 C CB . CYS 45 45 ? B -5.395 11.178 -4.140 1.000 2 B 97.943 1 ATOM 3170 S SG . CYS 45 45 ? B -5.959 10.302 -5.615 1.000 2 B 97.943 1 ATOM 3171 N N . TYR 46 46 ? B -5.547 8.002 -2.530 1.000 2 B 97.800 1 ATOM 3172 C CA . TYR 46 46 ? B -4.944 6.674 -2.536 1.000 2 B 97.800 1 ATOM 3173 C C . TYR 46 46 ? B -5.398 5.873 -3.750 1.000 2 B 97.800 1 ATOM 3174 O O . TYR 46 46 ? B -6.590 5.603 -3.912 1.000 2 B 97.800 1 ATOM 3175 C CB . TYR 46 46 ? B -5.295 5.918 -1.251 1.000 2 B 97.800 1 ATOM 3176 C CG . TYR 46 46 ? B -4.599 4.585 -1.121 1.000 2 B 97.800 1 ATOM 3177 C CD1 . TYR 46 46 ? B -5.302 3.444 -0.741 1.000 2 B 97.800 1 ATOM 3178 C CD2 . TYR 46 46 ? B -3.237 4.464 -1.376 1.000 2 B 97.800 1 ATOM 3179 C CE1 . TYR 46 46 ? B -4.664 2.214 -0.618 1.000 2 B 97.800 1 ATOM 3180 C CE2 . TYR 46 46 ? B -2.589 3.239 -1.256 1.000 2 B 97.800 1 ATOM 3181 C CZ . TYR 46 46 ? B -3.310 2.122 -0.878 1.000 2 B 97.800 1 ATOM 3182 O OH . TYR 46 46 ? B -2.673 0.906 -0.757 1.000 2 B 97.800 1 ATOM 3183 N N . VAL 47 47 ? B -4.478 5.566 -4.601 1.000 2 B 98.160 1 ATOM 3184 C CA . VAL 47 47 ? B -4.732 4.797 -5.816 1.000 2 B 98.160 1 ATOM 3185 C C . VAL 47 47 ? B -4.104 3.411 -5.691 1.000 2 B 98.160 1 ATOM 3186 O O . VAL 47 47 ? B -2.888 3.286 -5.529 1.000 2 B 98.160 1 ATOM 3187 C CB . VAL 47 47 ? B -4.186 5.519 -7.068 1.000 2 B 98.160 1 ATOM 3188 C CG1 . VAL 47 47 ? B -4.610 4.787 -8.341 1.000 2 B 98.160 1 ATOM 3189 C CG2 . VAL 47 47 ? B -4.663 6.970 -7.098 1.000 2 B 98.160 1 ATOM 3190 N N . SER 48 48 ? B -4.953 2.402 -5.793 1.000 2 B 97.891 1 ATOM 3191 C CA . SER 48 48 ? B -4.455 1.049 -5.564 1.000 2 B 97.891 1 ATOM 3192 C C . SER 48 48 ? B -5.070 0.060 -6.548 1.000 2 B 97.891 1 ATOM 3193 O O . SER 48 48 ? B -5.980 0.410 -7.303 1.000 2 B 97.891 1 ATOM 3194 C CB . SER 48 48 ? B -4.749 0.605 -4.131 1.000 2 B 97.891 1 ATOM 3195 O OG . SER 48 48 ? B -6.146 0.559 -3.895 1.000 2 B 97.891 1 ATOM 3196 N N . GLY 49 49 ? B -4.441 -1.124 -6.630 1.000 2 B 97.574 1 ATOM 3197 C CA . GLY 49 49 ? B -5.004 -2.251 -7.355 1.000 2 B 97.574 1 ATOM 3198 C C . GLY 49 49 ? B -4.875 -2.117 -8.860 1.000 2 B 97.574 1 ATOM 3199 O O . GLY 49 49 ? B -5.678 -2.677 -9.610 1.000 2 B 97.574 1 ATOM 3200 N N . PHE 50 50 ? B -3.906 -1.288 -9.261 1.000 2 B 98.141 1 ATOM 3201 C CA . PHE 50 50 ? B -3.841 -1.053 -10.699 1.000 2 B 98.141 1 ATOM 3202 C C . PHE 50 50 ? B -2.601 -1.705 -11.298 1.000 2 B 98.141 1 ATOM 3203 O O . PHE 50 50 ? B -1.631 -1.978 -10.587 1.000 2 B 98.141 1 ATOM 3204 C CB . PHE 50 50 ? B -3.842 0.449 -11.000 1.000 2 B 98.141 1 ATOM 3205 C CG . PHE 50 50 ? B -2.674 1.189 -10.406 1.000 2 B 98.141 1 ATOM 3206 C CD1 . PHE 50 50 ? B -2.736 1.689 -9.111 1.000 2 B 98.141 1 ATOM 3207 C CD2 . PHE 50 50 ? B -1.513 1.384 -11.142 1.000 2 B 98.141 1 ATOM 3208 C CE1 . PHE 50 50 ? B -1.657 2.374 -8.558 1.000 2 B 98.141 1 ATOM 3209 C CE2 . PHE 50 50 ? B -0.430 2.067 -10.597 1.000 2 B 98.141 1 ATOM 3210 C CZ . PHE 50 50 ? B -0.504 2.562 -9.305 1.000 2 B 98.141 1 ATOM 3211 N N . HIS 51 51 ? B -2.652 -1.995 -12.533 1.000 2 B 97.958 1 ATOM 3212 C CA . HIS 51 51 ? B -1.618 -2.517 -13.419 1.000 2 B 97.958 1 ATOM 3213 C C . HIS 51 51 ? B -1.932 -2.203 -14.878 1.000 2 B 97.958 1 ATOM 3214 O O . HIS 51 51 ? B -3.059 -2.413 -15.333 1.000 2 B 97.958 1 ATOM 3215 C CB . HIS 51 51 ? B -1.461 -4.027 -13.228 1.000 2 B 97.958 1 ATOM 3216 C CG . HIS 51 51 ? B -0.190 -4.575 -13.796 1.000 2 B 97.958 1 ATOM 3217 N ND1 . HIS 51 51 ? B 0.029 -4.692 -15.151 1.000 2 B 97.958 1 ATOM 3218 C CD2 . HIS 51 51 ? B 0.929 -5.034 -13.189 1.000 2 B 97.958 1 ATOM 3219 C CE1 . HIS 51 51 ? B 1.233 -5.203 -15.353 1.000 2 B 97.958 1 ATOM 3220 N NE2 . HIS 51 51 ? B 1.799 -5.419 -14.179 1.000 2 B 97.958 1 ATOM 3221 N N . PRO 52 52 ? B -0.803 -1.739 -15.619 1.000 2 B 95.549 1 ATOM 3222 C CA . PRO 52 52 ? B 0.605 -1.482 -15.308 1.000 2 B 95.549 1 ATOM 3223 C C . PRO 52 52 ? B 0.799 -0.251 -14.424 1.000 2 B 95.549 1 ATOM 3224 O O . PRO 52 52 ? B -0.177 0.407 -14.054 1.000 2 B 95.549 1 ATOM 3225 C CB . PRO 52 52 ? B 1.237 -1.270 -16.685 1.000 2 B 95.549 1 ATOM 3226 C CG . PRO 52 52 ? B 0.156 -0.653 -17.512 1.000 2 B 95.549 1 ATOM 3227 C CD . PRO 52 52 ? B -1.164 -1.211 -17.063 1.000 2 B 95.549 1 ATOM 3228 N N . SER 53 53 ? B 2.053 0.060 -14.061 1.000 2 B 95.969 1 ATOM 3229 C CA . SER 53 53 ? B 2.402 1.059 -13.057 1.000 2 B 95.969 1 ATOM 3230 C C . SER 53 53 ? B 2.274 2.473 -13.615 1.000 2 B 95.969 1 ATOM 3231 O O . SER 53 53 ? B 2.164 3.438 -12.856 1.000 2 B 95.969 1 ATOM 3232 C CB . SER 53 53 ? B 3.825 0.831 -12.545 1.000 2 B 95.969 1 ATOM 3233 O OG . SER 53 53 ? B 4.763 0.938 -13.602 1.000 2 B 95.969 1 ATOM 3234 N N . ASP 54 54 ? B 2.339 2.631 -14.981 1.000 2 B 94.266 1 ATOM 3235 C CA . ASP 54 54 ? B 2.227 3.968 -15.558 1.000 2 B 94.266 1 ATOM 3236 C C . ASP 54 54 ? B 0.863 4.584 -15.255 1.000 2 B 94.266 1 ATOM 3237 O O . ASP 54 54 ? B -0.169 4.059 -15.679 1.000 2 B 94.266 1 ATOM 3238 C CB . ASP 54 54 ? B 2.460 3.922 -17.069 1.000 2 B 94.266 1 ATOM 3239 C CG . ASP 54 54 ? B 3.883 3.542 -17.439 1.000 2 B 94.266 1 ATOM 3240 O OD1 . ASP 54 54 ? B 4.760 3.522 -16.549 1.000 2 B 94.266 1 ATOM 3241 O OD2 . ASP 54 54 ? B 4.130 3.262 -18.632 1.000 2 B 94.266 1 ATOM 3242 N N . ILE 55 55 ? B 0.885 5.661 -14.528 1.000 2 B 97.001 1 ATOM 3243 C CA . ILE 55 55 ? B -0.356 6.285 -14.083 1.000 2 B 97.001 1 ATOM 3244 C C . ILE 55 55 ? B -0.124 7.773 -13.830 1.000 2 B 97.001 1 ATOM 3245 O O . ILE 55 55 ? B 0.979 8.181 -13.456 1.000 2 B 97.001 1 ATOM 3246 C CB . ILE 55 55 ? B -0.907 5.605 -12.810 1.000 2 B 97.001 1 ATOM 3247 C CG1 . ILE 55 55 ? B -2.318 6.115 -12.499 1.000 2 B 97.001 1 ATOM 3248 C CG2 . ILE 55 55 ? B 0.033 5.838 -11.624 1.000 2 B 97.001 1 ATOM 3249 C CD1 . ILE 55 55 ? B -3.052 5.302 -11.441 1.000 2 B 97.001 1 ATOM 3250 N N . GLU 56 56 ? B -1.108 8.551 -14.198 1.000 2 B 97.735 1 ATOM 3251 C CA . GLU 56 56 ? B -1.094 9.980 -13.898 1.000 2 B 97.735 1 ATOM 3252 C C . GLU 56 56 ? B -2.134 10.331 -12.837 1.000 2 B 97.735 1 ATOM 3253 O O . GLU 56 56 ? B -3.318 10.029 -12.998 1.000 2 B 97.735 1 ATOM 3254 C CB . GLU 56 56 ? B -1.340 10.799 -15.167 1.000 2 B 97.735 1 ATOM 3255 C CG . GLU 56 56 ? B -1.180 12.300 -14.972 1.000 2 B 97.735 1 ATOM 3256 C CD . GLU 56 56 ? B -1.410 13.099 -16.244 1.000 2 B 97.735 1 ATOM 3257 O OE1 . GLU 56 56 ? B -1.364 14.349 -16.193 1.000 2 B 97.735 1 ATOM 3258 O OE2 . GLU 56 56 ? B -1.640 12.470 -17.301 1.000 2 B 97.735 1 ATOM 3259 N N . VAL 57 57 ? B -1.651 11.005 -11.740 1.000 2 B 98.398 1 ATOM 3260 C CA . VAL 57 57 ? B -2.533 11.344 -10.628 1.000 2 B 98.398 1 ATOM 3261 C C . VAL 57 57 ? B -2.364 12.818 -10.266 1.000 2 B 98.398 1 ATOM 3262 O O . VAL 57 57 ? B -1.240 13.296 -10.091 1.000 2 B 98.398 1 ATOM 3263 C CB . VAL 57 57 ? B -2.258 10.456 -9.394 1.000 2 B 98.398 1 ATOM 3264 C CG1 . VAL 57 57 ? B -3.239 10.779 -8.268 1.000 2 B 98.398 1 ATOM 3265 C CG2 . VAL 57 57 ? B -2.341 8.978 -9.772 1.000 2 B 98.398 1 ATOM 3266 N N . ASP 58 58 ? B -3.520 13.512 -10.161 1.000 2 B 98.313 1 ATOM 3267 C CA . ASP 58 58 ? B -3.510 14.916 -9.761 1.000 2 B 98.313 1 ATOM 3268 C C . ASP 58 58 ? B -4.520 15.176 -8.646 1.000 2 B 98.313 1 ATOM 3269 O O . ASP 58 58 ? B -5.653 14.694 -8.702 1.000 2 B 98.313 1 ATOM 3270 C CB . ASP 58 58 ? B -3.807 15.818 -10.961 1.000 2 B 98.313 1 ATOM 3271 C CG . ASP 58 58 ? B -2.717 15.777 -12.018 1.000 2 B 98.313 1 ATOM 3272 O OD1 . ASP 58 58 ? B -1.522 15.709 -11.659 1.000 2 B 98.313 1 ATOM 3273 O OD2 . ASP 58 58 ? B -3.057 15.815 -13.220 1.000 2 B 98.313 1 ATOM 3274 N N . LEU 59 59 ? B -4.051 15.879 -7.625 1.000 2 B 98.484 1 ATOM 3275 C CA . LEU 59 59 ? B -4.995 16.452 -6.673 1.000 2 B 98.484 1 ATOM 3276 C C . LEU 59 59 ? B -5.493 17.812 -7.152 1.000 2 B 98.484 1 ATOM 3277 O O . LEU 59 59 ? B -4.705 18.635 -7.623 1.000 2 B 98.484 1 ATOM 3278 C CB . LEU 59 59 ? B -4.348 16.590 -5.293 1.000 2 B 98.484 1 ATOM 3279 C CG . LEU 59 59 ? B -4.176 15.298 -4.492 1.000 2 B 98.484 1 ATOM 3280 C CD1 . LEU 59 59 ? B -3.254 15.532 -3.300 1.000 2 B 98.484 1 ATOM 3281 C CD2 . LEU 59 59 ? B -5.531 14.771 -4.031 1.000 2 B 98.484 1 ATOM 3282 N N . LEU 60 60 ? B -6.893 17.992 -7.043 1.000 2 B 98.352 1 ATOM 3283 C CA . LEU 60 60 ? B -7.514 19.187 -7.603 1.000 2 B 98.352 1 ATOM 3284 C C . LEU 60 60 ? B -8.205 20.001 -6.514 1.000 2 B 98.352 1 ATOM 3285 O O . LEU 60 60 ? B -8.745 19.437 -5.560 1.000 2 B 98.352 1 ATOM 3286 C CB . LEU 60 60 ? B -8.523 18.809 -8.691 1.000 2 B 98.352 1 ATOM 3287 C CG . LEU 60 60 ? B -8.018 17.865 -9.784 1.000 2 B 98.352 1 ATOM 3288 C CD1 . LEU 60 60 ? B -9.164 17.464 -10.708 1.000 2 B 98.352 1 ATOM 3289 C CD2 . LEU 60 60 ? B -6.890 18.518 -10.575 1.000 2 B 98.352 1 ATOM 3290 N N . LYS 61 61 ? B -8.115 21.328 -6.624 1.000 2 B 97.715 1 ATOM 3291 C CA . LYS 61 61 ? B -8.925 22.293 -5.885 1.000 2 B 97.715 1 ATOM 3292 C C . LYS 61 61 ? B -9.742 23.166 -6.834 1.000 2 B 97.715 1 ATOM 3293 O O . LYS 61 61 ? B -9.180 23.895 -7.654 1.000 2 B 97.715 1 ATOM 3294 C CB . LYS 61 61 ? B -8.039 23.170 -4.999 1.000 2 B 97.715 1 ATOM 3295 C CG . LYS 61 61 ? B -8.809 24.173 -4.152 1.000 2 B 97.715 1 ATOM 3296 C CD . LYS 61 61 ? B -7.871 25.050 -3.333 1.000 2 B 97.715 1 ATOM 3297 C CE . LYS 61 61 ? B -8.642 26.044 -2.474 1.000 2 B 97.715 1 ATOM 3298 N NZ . LYS 61 61 ? B -7.727 26.891 -1.652 1.000 2 B 97.715 1 ATOM 3299 N N . ASN 62 62 ? B -11.083 23.005 -6.793 1.000 2 B 96.711 1 ATOM 3300 C CA . ASN 62 62 ? B -11.984 23.759 -7.658 1.000 2 B 96.711 1 ATOM 3301 C C . ASN 62 62 ? B -11.626 23.582 -9.131 1.000 2 B 96.711 1 ATOM 3302 O O . ASN 62 62 ? B -11.598 24.554 -9.889 1.000 2 B 96.711 1 ATOM 3303 C CB . ASN 62 62 ? B -11.972 25.243 -7.283 1.000 2 B 96.711 1 ATOM 3304 C CG . ASN 62 62 ? B -12.401 25.487 -5.850 1.000 2 B 96.711 1 ATOM 3305 O OD1 . ASN 62 62 ? B -13.328 24.846 -5.349 1.000 2 B 96.711 1 ATOM 3306 N ND2 . ASN 62 62 ? B -11.729 26.415 -5.180 1.000 2 B 96.711 1 ATOM 3307 N N . GLY 63 63 ? B -11.179 22.347 -9.434 1.000 2 B 96.568 1 ATOM 3308 C CA . GLY 63 63 ? B -10.938 21.997 -10.825 1.000 2 B 96.568 1 ATOM 3309 C C . GLY 63 63 ? B -9.515 22.271 -11.271 1.000 2 B 96.568 1 ATOM 3310 O O . GLY 63 63 ? B -9.118 21.881 -12.371 1.000 2 B 96.568 1 ATOM 3311 N N . GLU 64 64 ? B -8.731 22.921 -10.411 1.000 2 B 97.798 1 ATOM 3312 C CA . GLU 64 64 ? B -7.353 23.262 -10.754 1.000 2 B 97.798 1 ATOM 3313 C C . GLU 64 64 ? B -6.363 22.368 -10.013 1.000 2 B 97.798 1 ATOM 3314 O O . GLU 64 64 ? B -6.535 22.094 -8.824 1.000 2 B 97.798 1 ATOM 3315 C CB . GLU 64 64 ? B -7.070 24.734 -10.441 1.000 2 B 97.798 1 ATOM 3316 C CG . GLU 64 64 ? B -7.862 25.709 -11.300 1.000 2 B 97.798 1 ATOM 3317 C CD . GLU 64 64 ? B -7.487 27.162 -11.059 1.000 2 B 97.798 1 ATOM 3318 O OE1 . GLU 64 64 ? B -8.000 28.049 -11.779 1.000 2 B 97.798 1 ATOM 3319 O OE2 . GLU 64 64 ? B -6.672 27.416 -10.144 1.000 2 B 97.798 1 ATOM 3320 N N . ARG 65 65 ? B -5.311 22.013 -10.690 1.000 2 B 97.723 1 ATOM 3321 C CA . ARG 65 65 ? B -4.254 21.174 -10.134 1.000 2 B 97.723 1 ATOM 3322 C C . ARG 65 65 ? B -3.551 21.876 -8.977 1.000 2 B 97.723 1 ATOM 3323 O O . ARG 65 65 ? B -3.194 23.051 -9.081 1.000 2 B 97.723 1 ATOM 3324 C CB . ARG 65 65 ? B -3.238 20.800 -11.215 1.000 2 B 97.723 1 ATOM 3325 C CG . ARG 65 65 ? B -2.134 19.875 -10.730 1.000 2 B 97.723 1 ATOM 3326 C CD . ARG 65 65 ? B -1.170 19.510 -11.850 1.000 2 B 97.723 1 ATOM 3327 N NE . ARG 65 65 ? B -0.038 18.732 -11.355 1.000 2 B 97.723 1 ATOM 3328 C CZ . ARG 65 65 ? B 0.896 18.180 -12.124 1.000 2 B 97.723 1 ATOM 3329 N NH1 . ARG 65 65 ? B 0.852 18.312 -13.445 1.000 2 B 97.723 1 ATOM 3330 N NH2 . ARG 65 65 ? B 1.883 17.492 -11.569 1.000 2 B 97.723 1 ATOM 3331 N N . ILE 66 66 ? B -3.430 21.141 -7.859 1.000 2 B 97.678 1 ATOM 3332 C CA . ILE 66 66 ? B -2.631 21.597 -6.727 1.000 2 B 97.678 1 ATOM 3333 C C . ILE 66 66 ? B -1.151 21.338 -7.003 1.000 2 B 97.678 1 ATOM 3334 O O . ILE 66 66 ? B -0.764 20.220 -7.351 1.000 2 B 97.678 1 ATOM 3335 C CB . ILE 66 66 ? B -3.061 20.903 -5.416 1.000 2 B 97.678 1 ATOM 3336 C CG1 . ILE 66 66 ? B -4.537 21.190 -5.119 1.000 2 B 97.678 1 ATOM 3337 C CG2 . ILE 66 66 ? B -2.171 21.349 -4.252 1.000 2 B 97.678 1 ATOM 3338 C CD1 . ILE 66 66 ? B -5.099 20.396 -3.948 1.000 2 B 97.678 1 ATOM 3339 N N . GLU 67 67 ? B -0.274 22.275 -6.840 1.000 2 B 94.354 1 ATOM 3340 C CA . GLU 67 67 ? B 1.124 22.155 -7.241 1.000 2 B 94.354 1 ATOM 3341 C C . GLU 67 67 ? B 1.949 21.456 -6.164 1.000 2 B 94.354 1 ATOM 3342 O O . GLU 67 67 ? B 2.756 20.574 -6.468 1.000 2 B 94.354 1 ATOM 3343 C CB . GLU 67 67 ? B 1.717 23.534 -7.545 1.000 2 B 94.354 1 ATOM 3344 C CG . GLU 67 67 ? B 1.143 24.189 -8.792 1.000 2 B 94.354 1 ATOM 3345 C CD . GLU 67 67 ? B 1.953 25.383 -9.270 1.000 2 B 94.354 1 ATOM 3346 O OE1 . GLU 67 67 ? B 1.637 25.940 -10.346 1.000 2 B 94.354 1 ATOM 3347 O OE2 . GLU 67 67 ? B 2.913 25.764 -8.564 1.000 2 B 94.354 1 ATOM 3348 N N . LYS 68 68 ? B 1.792 21.763 -4.964 1.000 2 B 94.733 1 ATOM 3349 C CA . LYS 68 68 ? B 2.620 21.208 -3.897 1.000 2 B 94.733 1 ATOM 3350 C C . LYS 68 68 ? B 2.021 19.913 -3.355 1.000 2 B 94.733 1 ATOM 3351 O O . LYS 68 68 ? B 1.343 19.919 -2.326 1.000 2 B 94.733 1 ATOM 3352 C CB . LYS 68 68 ? B 2.787 22.222 -2.764 1.000 2 B 94.733 1 ATOM 3353 C CG . LYS 68 68 ? B 3.597 23.451 -3.148 1.000 2 B 94.733 1 ATOM 3354 C CD . LYS 68 68 ? B 3.763 24.402 -1.970 1.000 2 B 94.733 1 ATOM 3355 C CE . LYS 68 68 ? B 4.512 25.666 -2.371 1.000 2 B 94.733 1 ATOM 3356 N NZ . LYS 68 68 ? B 4.684 26.598 -1.217 1.000 2 B 94.733 1 ATOM 3357 N N . VAL 69 69 ? B 2.266 18.813 -4.113 1.000 2 B 97.426 1 ATOM 3358 C CA . VAL 69 69 ? B 1.749 17.501 -3.738 1.000 2 B 97.426 1 ATOM 3359 C C . VAL 69 69 ? B 2.907 16.527 -3.535 1.000 2 B 97.426 1 ATOM 3360 O O . VAL 69 69 ? B 3.871 16.531 -4.304 1.000 2 B 97.426 1 ATOM 3361 C CB . VAL 69 69 ? B 0.770 16.952 -4.800 1.000 2 B 97.426 1 ATOM 3362 C CG1 . VAL 69 69 ? B 0.428 15.491 -4.515 1.000 2 B 97.426 1 ATOM 3363 C CG2 . VAL 69 69 ? B -0.498 17.802 -4.847 1.000 2 B 97.426 1 ATOM 3364 N N . GLU 70 70 ? B 2.818 15.862 -2.469 1.000 2 B 96.206 1 ATOM 3365 C CA . GLU 70 70 ? B 3.764 14.782 -2.204 1.000 2 B 96.206 1 ATOM 3366 C C . GLU 70 70 ? B 3.157 13.423 -2.541 1.000 2 B 96.206 1 ATOM 3367 O O . GLU 70 70 ? B 1.936 13.290 -2.642 1.000 2 B 96.206 1 ATOM 3368 C CB . GLU 70 70 ? B 4.215 14.808 -0.742 1.000 2 B 96.206 1 ATOM 3369 C CG . GLU 70 70 ? B 4.961 16.076 -0.351 1.000 2 B 96.206 1 ATOM 3370 C CD . GLU 70 70 ? B 5.423 16.078 1.097 1.000 2 B 96.206 1 ATOM 3371 O OE1 . GLU 70 70 ? B 5.947 17.114 1.566 1.000 2 B 96.206 1 ATOM 3372 O OE2 . GLU 70 70 ? B 5.261 15.034 1.769 1.000 2 B 96.206 1 ATOM 3373 N N . HIS 71 71 ? B 4.139 12.383 -2.751 1.000 2 B 96.078 1 ATOM 3374 C CA . HIS 71 71 ? B 3.620 11.047 -3.021 1.000 2 B 96.078 1 ATOM 3375 C C . HIS 71 71 ? B 4.558 9.972 -2.483 1.000 2 B 96.078 1 ATOM 3376 O O . HIS 71 71 ? B 5.746 10.228 -2.271 1.000 2 B 96.078 1 ATOM 3377 C CB . HIS 71 71 ? B 3.403 10.851 -4.522 1.000 2 B 96.078 1 ATOM 3378 C CG . HIS 71 71 ? B 4.650 11.001 -5.334 1.000 2 B 96.078 1 ATOM 3379 N ND1 . HIS 71 71 ? B 5.565 9.982 -5.487 1.000 2 B 96.078 1 ATOM 3380 C CD2 . HIS 71 71 ? B 5.130 12.052 -6.039 1.000 2 B 96.078 1 ATOM 3381 C CE1 . HIS 71 71 ? B 6.558 10.402 -6.253 1.000 2 B 96.078 1 ATOM 3382 N NE2 . HIS 71 71 ? B 6.318 11.654 -6.602 1.000 2 B 96.078 1 ATOM 3383 N N . SER 72 72 ? B 3.933 8.857 -2.258 1.000 2 B 95.631 1 ATOM 3384 C CA . SER 72 72 ? B 4.709 7.707 -1.806 1.000 2 B 95.631 1 ATOM 3385 C C . SER 72 72 ? B 5.495 7.085 -2.955 1.000 2 B 95.631 1 ATOM 3386 O O . SER 72 72 ? B 5.244 7.391 -4.123 1.000 2 B 95.631 1 ATOM 3387 C CB . SER 72 72 ? B 3.794 6.657 -1.175 1.000 2 B 95.631 1 ATOM 3388 O OG . SER 72 72 ? B 2.937 6.086 -2.148 1.000 2 B 95.631 1 ATOM 3389 N N . ASP 73 73 ? B 6.484 6.281 -2.592 1.000 2 B 95.930 1 ATOM 3390 C CA . ASP 73 73 ? B 7.209 5.495 -3.586 1.000 2 B 95.930 1 ATOM 3391 C C . ASP 73 73 ? B 6.331 4.383 -4.153 1.000 2 B 95.930 1 ATOM 3392 O O . ASP 73 73 ? B 5.514 3.802 -3.436 1.000 2 B 95.930 1 ATOM 3393 C CB . ASP 73 73 ? B 8.482 4.902 -2.977 1.000 2 B 95.930 1 ATOM 3394 C CG . ASP 73 73 ? B 9.484 5.960 -2.550 1.000 2 B 95.930 1 ATOM 3395 O OD1 . ASP 73 73 ? B 9.799 6.862 -3.356 1.000 2 B 95.930 1 ATOM 3396 O OD2 . ASP 73 73 ? B 9.965 5.890 -1.398 1.000 2 B 95.930 1 ATOM 3397 N N . LEU 74 74 ? B 6.442 4.154 -5.457 1.000 2 B 96.613 1 ATOM 3398 C CA . LEU 74 74 ? B 5.687 3.080 -6.094 1.000 2 B 96.613 1 ATOM 3399 C C . LEU 74 74 ? B 6.042 1.729 -5.482 1.000 2 B 96.613 1 ATOM 3400 O O . LEU 74 74 ? B 7.221 1.395 -5.344 1.000 2 B 96.613 1 ATOM 3401 C CB . LEU 74 74 ? B 5.955 3.057 -7.601 1.000 2 B 96.613 1 ATOM 3402 C CG . LEU 74 74 ? B 5.092 2.103 -8.428 1.000 2 B 96.613 1 ATOM 3403 C CD1 . LEU 74 74 ? B 3.661 2.624 -8.516 1.000 2 B 96.613 1 ATOM 3404 C CD2 . LEU 74 74 ? B 5.685 1.918 -9.821 1.000 2 B 96.613 1 ATOM 3405 N N . SER 75 75 ? B 5.095 0.935 -5.094 1.000 2 B 97.102 1 ATOM 3406 C CA . SER 75 75 ? B 5.208 -0.433 -4.597 1.000 2 B 97.102 1 ATOM 3407 C C . SER 75 75 ? B 4.020 -1.281 -5.039 1.000 2 B 97.102 1 ATOM 3408 O O . SER 75 75 ? B 3.172 -0.820 -5.805 1.000 2 B 97.102 1 ATOM 3409 C CB . SER 75 75 ? B 5.312 -0.442 -3.071 1.000 2 B 97.102 1 ATOM 3410 O OG . SER 75 75 ? B 5.686 -1.725 -2.600 1.000 2 B 97.102 1 ATOM 3411 N N . PHE 76 76 ? B 4.044 -2.553 -4.667 1.000 2 B 97.975 1 ATOM 3412 C CA . PHE 76 76 ? B 2.955 -3.410 -5.122 1.000 2 B 97.975 1 ATOM 3413 C C . PHE 76 76 ? B 2.554 -4.400 -4.035 1.000 2 B 97.975 1 ATOM 3414 O O . PHE 76 76 ? B 3.281 -4.583 -3.056 1.000 2 B 97.975 1 ATOM 3415 C CB . PHE 76 76 ? B 3.357 -4.162 -6.395 1.000 2 B 97.975 1 ATOM 3416 C CG . PHE 76 76 ? B 4.618 -4.971 -6.250 1.000 2 B 97.975 1 ATOM 3417 C CD1 . PHE 76 76 ? B 5.844 -4.448 -6.643 1.000 2 B 97.975 1 ATOM 3418 C CD2 . PHE 76 76 ? B 4.577 -6.254 -5.720 1.000 2 B 97.975 1 ATOM 3419 C CE1 . PHE 76 76 ? B 7.013 -5.195 -6.509 1.000 2 B 97.975 1 ATOM 3420 C CE2 . PHE 76 76 ? B 5.740 -7.005 -5.583 1.000 2 B 97.975 1 ATOM 3421 C CZ . PHE 76 76 ? B 6.957 -6.474 -5.980 1.000 2 B 97.975 1 ATOM 3422 N N . SER 77 77 ? B 1.296 -4.955 -4.217 1.000 2 B 95.654 1 ATOM 3423 C CA . SER 77 77 ? B 0.689 -5.862 -3.248 1.000 2 B 95.654 1 ATOM 3424 C C . SER 77 77 ? B 0.929 -7.319 -3.628 1.000 2 B 95.654 1 ATOM 3425 O O . SER 77 77 ? B 1.561 -7.604 -4.647 1.000 2 B 95.654 1 ATOM 3426 C CB . SER 77 77 ? B -0.813 -5.597 -3.134 1.000 2 B 95.654 1 ATOM 3427 O OG . SER 77 77 ? B -1.059 -4.256 -2.746 1.000 2 B 95.654 1 ATOM 3428 N N . LYS 78 78 ? B 0.474 -8.241 -2.874 1.000 2 B 93.828 1 ATOM 3429 C CA . LYS 78 78 ? B 0.667 -9.679 -3.035 1.000 2 B 93.828 1 ATOM 3430 C C . LYS 78 78 ? B 0.090 -10.166 -4.360 1.000 2 B 93.828 1 ATOM 3431 O O . LYS 78 78 ? B 0.528 -11.186 -4.897 1.000 2 B 93.828 1 ATOM 3432 C CB . LYS 78 78 ? B 0.027 -10.440 -1.873 1.000 2 B 93.828 1 ATOM 3433 C CG . LYS 78 78 ? B 0.760 -10.279 -0.549 1.000 2 B 93.828 1 ATOM 3434 C CD . LYS 78 78 ? B 0.099 -11.091 0.558 1.000 2 B 93.828 1 ATOM 3435 C CE . LYS 78 78 ? B 0.824 -10.921 1.886 1.000 2 B 93.828 1 ATOM 3436 N NZ . LYS 78 78 ? B 0.185 -11.722 2.973 1.000 2 B 93.828 1 ATOM 3437 N N . ASP 79 79 ? B -0.850 -9.418 -4.868 1.000 2 B 96.030 1 ATOM 3438 C CA . ASP 79 79 ? B -1.449 -9.827 -6.135 1.000 2 B 96.030 1 ATOM 3439 C C . ASP 79 79 ? B -0.782 -9.118 -7.312 1.000 2 B 96.030 1 ATOM 3440 O O . ASP 79 79 ? B -1.335 -9.078 -8.413 1.000 2 B 96.030 1 ATOM 3441 C CB . ASP 79 79 ? B -2.953 -9.543 -6.133 1.000 2 B 96.030 1 ATOM 3442 C CG . ASP 79 79 ? B -3.277 -8.064 -6.014 1.000 2 B 96.030 1 ATOM 3443 O OD1 . ASP 79 79 ? B -2.350 -7.250 -5.814 1.000 2 B 96.030 1 ATOM 3444 O OD2 . ASP 79 79 ? B -4.471 -7.710 -6.118 1.000 2 B 96.030 1 ATOM 3445 N N . TRP 80 80 ? B 0.336 -8.433 -7.075 1.000 2 B 97.641 1 ATOM 3446 C CA . TRP 80 80 ? B 1.236 -7.812 -8.040 1.000 2 B 97.641 1 ATOM 3447 C C . TRP 80 80 ? B 0.666 -6.491 -8.546 1.000 2 B 97.641 1 ATOM 3448 O O . TRP 80 80 ? B 1.188 -5.905 -9.497 1.000 2 B 97.641 1 ATOM 3449 C CB . TRP 80 80 ? B 1.495 -8.755 -9.219 1.000 2 B 97.641 1 ATOM 3450 C CG . TRP 80 80 ? B 1.923 -10.133 -8.814 1.000 2 B 97.641 1 ATOM 3451 C CD1 . TRP 80 80 ? B 1.292 -11.311 -9.104 1.000 2 B 97.641 1 ATOM 3452 C CD2 . TRP 80 80 ? B 3.076 -10.476 -8.039 1.000 2 B 97.641 1 ATOM 3453 N NE1 . TRP 80 80 ? B 1.984 -12.366 -8.556 1.000 2 B 97.641 1 ATOM 3454 C CE2 . TRP 80 80 ? B 3.082 -11.881 -7.898 1.000 2 B 97.641 1 ATOM 3455 C CE3 . TRP 80 80 ? B 4.106 -9.730 -7.450 1.000 2 B 97.641 1 ATOM 3456 C CZ2 . TRP 80 80 ? B 4.080 -12.556 -7.191 1.000 2 B 97.641 1 ATOM 3457 C CZ3 . TRP 80 80 ? B 5.098 -10.404 -6.747 1.000 2 B 97.641 1 ATOM 3458 C CH2 . TRP 80 80 ? B 5.076 -11.803 -6.625 1.000 2 B 97.641 1 ATOM 3459 N N . SER 81 81 ? B -0.504 -6.038 -8.022 1.000 2 B 98.102 1 ATOM 3460 C CA . SER 81 81 ? B -1.042 -4.735 -8.398 1.000 2 B 98.102 1 ATOM 3461 C C . SER 81 81 ? B -0.348 -3.610 -7.637 1.000 2 B 98.102 1 ATOM 3462 O O . SER 81 81 ? B 0.161 -3.821 -6.535 1.000 2 B 98.102 1 ATOM 3463 C CB . SER 81 81 ? B -2.548 -4.682 -8.141 1.000 2 B 98.102 1 ATOM 3464 O OG . SER 81 81 ? B -2.828 -4.825 -6.758 1.000 2 B 98.102 1 ATOM 3465 N N . PHE 82 82 ? B -0.265 -2.419 -8.207 1.000 2 B 98.465 1 ATOM 3466 C CA . PHE 82 82 ? B 0.483 -1.288 -7.672 1.000 2 B 98.465 1 ATOM 3467 C C . PHE 82 82 ? B -0.404 -0.423 -6.785 1.000 2 B 98.465 1 ATOM 3468 O O . PHE 82 82 ? B -1.632 -0.480 -6.882 1.000 2 B 98.465 1 ATOM 3469 C CB . PHE 82 82 ? B 1.072 -0.445 -8.807 1.000 2 B 98.465 1 ATOM 3470 C CG . PHE 82 82 ? B 2.135 -1.155 -9.602 1.000 2 B 98.465 1 ATOM 3471 C CD1 . PHE 82 82 ? B 3.415 -1.318 -9.086 1.000 2 B 98.465 1 ATOM 3472 C CD2 . PHE 82 82 ? B 1.854 -1.658 -10.865 1.000 2 B 98.465 1 ATOM 3473 C CE1 . PHE 82 82 ? B 4.401 -1.974 -9.820 1.000 2 B 98.465 1 ATOM 3474 C CE2 . PHE 82 82 ? B 2.834 -2.315 -11.604 1.000 2 B 98.465 1 ATOM 3475 C CZ . PHE 82 82 ? B 4.107 -2.471 -11.080 1.000 2 B 98.465 1 ATOM 3476 N N . TYR 83 83 ? B 0.228 0.293 -5.939 1.000 2 B 97.955 1 ATOM 3477 C CA . TYR 83 83 ? B -0.453 1.325 -5.164 1.000 2 B 97.955 1 ATOM 3478 C C . TYR 83 83 ? B 0.434 2.552 -4.991 1.000 2 B 97.955 1 ATOM 3479 O O . TYR 83 83 ? B 1.663 2.445 -5.010 1.000 2 B 97.955 1 ATOM 3480 C CB . TYR 83 83 ? B -0.867 0.782 -3.793 1.000 2 B 97.955 1 ATOM 3481 C CG . TYR 83 83 ? B 0.287 0.251 -2.977 1.000 2 B 97.955 1 ATOM 3482 C CD1 . TYR 83 83 ? B 0.537 -1.117 -2.896 1.000 2 B 97.955 1 ATOM 3483 C CD2 . TYR 83 83 ? B 1.127 1.115 -2.284 1.000 2 B 97.955 1 ATOM 3484 C CE1 . TYR 83 83 ? B 1.597 -1.611 -2.144 1.000 2 B 97.955 1 ATOM 3485 C CE2 . TYR 83 83 ? B 2.191 0.632 -1.528 1.000 2 B 97.955 1 ATOM 3486 C CZ . TYR 83 83 ? B 2.418 -0.730 -1.465 1.000 2 B 97.955 1 ATOM 3487 O OH . TYR 83 83 ? B 3.469 -1.214 -0.719 1.000 2 B 97.955 1 ATOM 3488 N N . LEU 84 84 ? B -0.238 3.799 -4.835 1.000 2 B 97.593 1 ATOM 3489 C CA . LEU 84 84 ? B 0.396 5.093 -4.612 1.000 2 B 97.593 1 ATOM 3490 C C . LEU 84 84 ? B -0.475 5.980 -3.727 1.000 2 B 97.593 1 ATOM 3491 O O . LEU 84 84 ? B -1.703 5.955 -3.833 1.000 2 B 97.593 1 ATOM 3492 C CB . LEU 84 84 ? B 0.669 5.794 -5.945 1.000 2 B 97.593 1 ATOM 3493 C CG . LEU 84 84 ? B 1.855 5.269 -6.756 1.000 2 B 97.593 1 ATOM 3494 C CD1 . LEU 84 84 ? B 1.813 5.824 -8.176 1.000 2 B 97.593 1 ATOM 3495 C CD2 . LEU 84 84 ? B 3.170 5.630 -6.075 1.000 2 B 97.593 1 ATOM 3496 N N . LEU 85 85 ? B 0.197 6.718 -2.899 1.000 2 B 97.761 1 ATOM 3497 C CA . LEU 85 85 ? B -0.479 7.725 -2.090 1.000 2 B 97.761 1 ATOM 3498 C C . LEU 85 85 ? B -0.002 9.127 -2.456 1.000 2 B 97.761 1 ATOM 3499 O O . LEU 85 85 ? B 1.199 9.403 -2.435 1.000 2 B 97.761 1 ATOM 3500 C CB . LEU 85 85 ? B -0.240 7.465 -0.600 1.000 2 B 97.761 1 ATOM 3501 C CG . LEU 85 85 ? B -0.804 8.506 0.369 1.000 2 B 97.761 1 ATOM 3502 C CD1 . LEU 85 85 ? B -2.328 8.450 0.378 1.000 2 B 97.761 1 ATOM 3503 C CD2 . LEU 85 85 ? B -0.247 8.288 1.771 1.000 2 B 97.761 1 ATOM 3504 N N . TYR 86 86 ? B -0.936 9.965 -2.876 1.000 2 B 98.126 1 ATOM 3505 C CA . TYR 86 86 ? B -0.707 11.395 -3.048 1.000 2 B 98.126 1 ATOM 3506 C C . TYR 86 86 ? B -1.354 12.191 -1.920 1.000 2 B 98.126 1 ATOM 3507 O O . TYR 86 86 ? B -2.489 11.913 -1.529 1.000 2 B 98.126 1 ATOM 3508 C CB . TYR 86 86 ? B -1.250 11.868 -4.399 1.000 2 B 98.126 1 ATOM 3509 C CG . TYR 86 86 ? B -0.438 11.393 -5.580 1.000 2 B 98.126 1 ATOM 3510 C CD1 . TYR 86 86 ? B 0.350 12.281 -6.310 1.000 2 B 98.126 1 ATOM 3511 C CD2 . TYR 86 86 ? B -0.458 10.058 -5.968 1.000 2 B 98.126 1 ATOM 3512 C CE1 . TYR 86 86 ? B 1.098 11.848 -7.400 1.000 2 B 98.126 1 ATOM 3513 C CE2 . TYR 86 86 ? B 0.287 9.615 -7.056 1.000 2 B 98.126 1 ATOM 3514 C CZ . TYR 86 86 ? B 1.061 10.516 -7.764 1.000 2 B 98.126 1 ATOM 3515 O OH . TYR 86 86 ? B 1.800 10.082 -8.842 1.000 2 B 98.126 1 ATOM 3516 N N . TYR 87 87 ? B -0.589 13.178 -1.421 1.000 2 B 97.661 1 ATOM 3517 C CA . TYR 87 87 ? B -1.179 13.913 -0.307 1.000 2 B 97.661 1 ATOM 3518 C C . TYR 87 87 ? B -0.639 15.337 -0.246 1.000 2 B 97.661 1 ATOM 3519 O O . TYR 87 87 ? B 0.466 15.609 -0.720 1.000 2 B 97.661 1 ATOM 3520 C CB . TYR 87 87 ? B -0.905 13.193 1.017 1.000 2 B 97.661 1 ATOM 3521 C CG . TYR 87 87 ? B 0.563 13.001 1.311 1.000 2 B 97.661 1 ATOM 3522 C CD1 . TYR 87 87 ? B 1.248 11.884 0.838 1.000 2 B 97.661 1 ATOM 3523 C CD2 . TYR 87 87 ? B 1.267 13.935 2.064 1.000 2 B 97.661 1 ATOM 3524 C CE1 . TYR 87 87 ? B 2.600 11.702 1.108 1.000 2 B 97.661 1 ATOM 3525 C CE2 . TYR 87 87 ? B 2.620 13.763 2.340 1.000 2 B 97.661 1 ATOM 3526 C CZ . TYR 87 87 ? B 3.277 12.645 1.858 1.000 2 B 97.661 1 ATOM 3527 O OH . TYR 87 87 ? B 4.615 12.470 2.129 1.000 2 B 97.661 1 ATOM 3528 N N . THR 88 88 ? B -1.474 16.234 0.320 1.000 2 B 97.474 1 ATOM 3529 C CA . THR 88 88 ? B -1.119 17.640 0.480 1.000 2 B 97.474 1 ATOM 3530 C C . THR 88 88 ? B -1.860 18.254 1.664 1.000 2 B 97.474 1 ATOM 3531 O O . THR 88 88 ? B -2.937 17.787 2.039 1.000 2 B 97.474 1 ATOM 3532 C CB . THR 88 88 ? B -1.430 18.443 -0.796 1.000 2 B 97.474 1 ATOM 3533 O OG1 . THR 88 88 ? B -0.880 19.760 -0.671 1.000 2 B 97.474 1 ATOM 3534 C CG2 . THR 88 88 ? B -2.934 18.553 -1.024 1.000 2 B 97.474 1 ATOM 3535 N N . GLU 89 89 ? B -1.199 19.220 2.228 1.000 2 B 96.757 1 ATOM 3536 C CA . GLU 89 89 ? B -1.893 19.996 3.251 1.000 2 B 96.757 1 ATOM 3537 C C . GLU 89 89 ? B -3.021 20.825 2.643 1.000 2 B 96.757 1 ATOM 3538 O O . GLU 89 89 ? B -2.906 21.307 1.514 1.000 2 B 96.757 1 ATOM 3539 C CB . GLU 89 89 ? B -0.912 20.907 3.993 1.000 2 B 96.757 1 ATOM 3540 C CG . GLU 89 89 ? B 0.114 20.155 4.828 1.000 2 B 96.757 1 ATOM 3541 C CD . GLU 89 89 ? B 1.067 21.072 5.577 1.000 2 B 96.757 1 ATOM 3542 O OE1 . GLU 89 89 ? B 1.982 20.566 6.266 1.000 2 B 96.757 1 ATOM 3543 O OE2 . GLU 89 89 ? B 0.897 22.308 5.476 1.000 2 B 96.757 1 ATOM 3544 N N . PHE 90 90 ? B -4.140 20.838 3.439 1.000 2 B 95.646 1 ATOM 3545 C CA . PHE 90 90 ? B -5.223 21.694 2.967 1.000 2 B 95.646 1 ATOM 3546 C C . PHE 90 90 ? B -6.091 22.160 4.130 1.000 2 B 95.646 1 ATOM 3547 O O . PHE 90 90 ? B -5.937 21.684 5.256 1.000 2 B 95.646 1 ATOM 3548 C CB . PHE 90 90 ? B -6.081 20.956 1.934 1.000 2 B 95.646 1 ATOM 3549 C CG . PHE 90 90 ? B -7.122 20.056 2.542 1.000 2 B 95.646 1 ATOM 3550 C CD1 . PHE 90 90 ? B -6.800 19.210 3.596 1.000 2 B 95.646 1 ATOM 3551 C CD2 . PHE 90 90 ? B -8.424 20.055 2.059 1.000 2 B 95.646 1 ATOM 3552 C CE1 . PHE 90 90 ? B -7.762 18.375 4.161 1.000 2 B 95.646 1 ATOM 3553 C CE2 . PHE 90 90 ? B -9.391 19.224 2.618 1.000 2 B 95.646 1 ATOM 3554 C CZ . PHE 90 90 ? B -9.057 18.384 3.668 1.000 2 B 95.646 1 ATOM 3555 N N . THR 91 91 ? B -6.845 23.248 3.929 1.000 2 B 95.818 1 ATOM 3556 C CA . THR 91 91 ? B -7.827 23.771 4.873 1.000 2 B 95.818 1 ATOM 3557 C C . THR 91 91 ? B -9.227 23.746 4.267 1.000 2 B 95.818 1 ATOM 3558 O O . THR 91 91 ? B -9.551 24.565 3.404 1.000 2 B 95.818 1 ATOM 3559 C CB . THR 91 91 ? B -7.476 25.207 5.304 1.000 2 B 95.818 1 ATOM 3560 O OG1 . THR 91 91 ? B -6.129 25.238 5.791 1.000 2 B 95.818 1 ATOM 3561 C CG2 . THR 91 91 ? B -8.414 25.695 6.403 1.000 2 B 95.818 1 ATOM 3562 N N . PRO 92 92 ? B -10.005 22.702 4.736 1.000 2 B 93.032 1 ATOM 3563 C CA . PRO 92 92 ? B -11.344 22.547 4.162 1.000 2 B 93.032 1 ATOM 3564 C C . PRO 92 92 ? B -12.238 23.759 4.415 1.000 2 B 93.032 1 ATOM 3565 O O . PRO 92 92 ? B -12.211 24.333 5.507 1.000 2 B 93.032 1 ATOM 3566 C CB . PRO 92 92 ? B -11.891 21.306 4.872 1.000 2 B 93.032 1 ATOM 3567 C CG . PRO 92 92 ? B -11.101 21.211 6.137 1.000 2 B 93.032 1 ATOM 3568 C CD . PRO 92 92 ? B -9.773 21.878 5.921 1.000 2 B 93.032 1 ATOM 3569 N N . THR 93 93 ? B -12.955 24.266 3.371 1.000 2 B 93.948 1 ATOM 3570 C CA . THR 93 93 ? B -13.995 25.287 3.443 1.000 2 B 93.948 1 ATOM 3571 C C . THR 93 93 ? B -15.294 24.780 2.825 1.000 2 B 93.948 1 ATOM 3572 O O . THR 93 93 ? B -15.302 23.760 2.132 1.000 2 B 93.948 1 ATOM 3573 C CB . THR 93 93 ? B -13.556 26.581 2.734 1.000 2 B 93.948 1 ATOM 3574 O OG1 . THR 93 93 ? B -13.483 26.345 1.323 1.000 2 B 93.948 1 ATOM 3575 C CG2 . THR 93 93 ? B -12.192 27.046 3.231 1.000 2 B 93.948 1 ATOM 3576 N N . GLU 94 94 ? B -16.343 25.451 3.153 1.000 2 B 89.855 1 ATOM 3577 C CA . GLU 94 94 ? B -17.656 25.060 2.649 1.000 2 B 89.855 1 ATOM 3578 C C . GLU 94 94 ? B -17.749 25.257 1.139 1.000 2 B 89.855 1 ATOM 3579 O O . GLU 94 94 ? B -18.490 24.545 0.459 1.000 2 B 89.855 1 ATOM 3580 C CB . GLU 94 94 ? B -18.760 25.853 3.352 1.000 2 B 89.855 1 ATOM 3581 C CG . GLU 94 94 ? B -19.001 25.427 4.793 1.000 2 B 89.855 1 ATOM 3582 C CD . GLU 94 94 ? B -20.233 26.069 5.411 1.000 2 B 89.855 1 ATOM 3583 O OE1 . GLU 94 94 ? B -20.595 25.712 6.555 1.000 2 B 89.855 1 ATOM 3584 O OE2 . GLU 94 94 ? B -20.841 26.937 4.745 1.000 2 B 89.855 1 ATOM 3585 N N . LYS 95 95 ? B -16.925 26.122 0.598 1.000 2 B 92.183 1 ATOM 3586 C CA . LYS 95 95 ? B -17.078 26.550 -0.789 1.000 2 B 92.183 1 ATOM 3587 C C . LYS 95 95 ? B -16.133 25.781 -1.709 1.000 2 B 92.183 1 ATOM 3588 O O . LYS 95 95 ? B -16.409 25.624 -2.900 1.000 2 B 92.183 1 ATOM 3589 C CB . LYS 95 95 ? B -16.827 28.053 -0.919 1.000 2 B 92.183 1 ATOM 3590 C CG . LYS 95 95 ? B -17.856 28.916 -0.202 1.000 2 B 92.183 1 ATOM 3591 C CD . LYS 95 95 ? B -17.570 30.400 -0.392 1.000 2 B 92.183 1 ATOM 3592 C CE . LYS 95 95 ? B -18.563 31.264 0.373 1.000 2 B 92.183 1 ATOM 3593 N NZ . LYS 95 95 ? B -18.309 32.720 0.161 1.000 2 B 92.183 1 ATOM 3594 N N . ASP 96 96 ? B -15.083 25.308 -1.148 1.000 2 B 94.738 1 ATOM 3595 C CA . ASP 96 96 ? B -14.062 24.684 -1.985 1.000 2 B 94.738 1 ATOM 3596 C C . ASP 96 96 ? B -14.388 23.215 -2.244 1.000 2 B 94.738 1 ATOM 3597 O O . ASP 96 96 ? B -14.947 22.536 -1.381 1.000 2 B 94.738 1 ATOM 3598 C CB . ASP 96 96 ? B -12.684 24.811 -1.334 1.000 2 B 94.738 1 ATOM 3599 C CG . ASP 96 96 ? B -12.147 26.231 -1.353 1.000 2 B 94.738 1 ATOM 3600 O OD1 . ASP 96 96 ? B -12.464 26.991 -2.294 1.000 2 B 94.738 1 ATOM 3601 O OD2 . ASP 96 96 ? B -11.398 26.594 -0.420 1.000 2 B 94.738 1 ATOM 3602 N N . GLU 97 97 ? B -14.070 22.814 -3.471 1.000 2 B 96.179 1 ATOM 3603 C CA . GLU 97 97 ? B -14.199 21.413 -3.859 1.000 2 B 96.179 1 ATOM 3604 C C . GLU 97 97 ? B -12.836 20.796 -4.160 1.000 2 B 96.179 1 ATOM 3605 O O . GLU 97 97 ? B -12.020 21.394 -4.864 1.000 2 B 96.179 1 ATOM 3606 C CB . GLU 97 97 ? B -15.119 21.274 -5.074 1.000 2 B 96.179 1 ATOM 3607 C CG . GLU 97 97 ? B -15.462 19.833 -5.424 1.000 2 B 96.179 1 ATOM 3608 C CD . GLU 97 97 ? B -16.389 19.711 -6.623 1.000 2 B 96.179 1 ATOM 3609 O OE1 . GLU 97 97 ? B -16.148 18.840 -7.490 1.000 2 B 96.179 1 ATOM 3610 O OE2 . GLU 97 97 ? B -17.362 20.494 -6.698 1.000 2 B 96.179 1 ATOM 3611 N N . TYR 98 98 ? B -12.665 19.615 -3.601 1.000 2 B 97.565 1 ATOM 3612 C CA . TYR 98 98 ? B -11.416 18.892 -3.811 1.000 2 B 97.565 1 ATOM 3613 C C . TYR 98 98 ? B -11.670 17.552 -4.492 1.000 2 B 97.565 1 ATOM 3614 O O . TYR 98 98 ? B -12.710 16.926 -4.276 1.000 2 B 97.565 1 ATOM 3615 C CB . TYR 98 98 ? B -10.691 18.672 -2.480 1.000 2 B 97.565 1 ATOM 3616 C CG . TYR 98 98 ? B -10.312 19.952 -1.777 1.000 2 B 97.565 1 ATOM 3617 C CD1 . TYR 98 98 ? B -9.086 20.567 -2.020 1.000 2 B 97.565 1 ATOM 3618 C CD2 . TYR 98 98 ? B -11.178 20.549 -0.867 1.000 2 B 97.565 1 ATOM 3619 C CE1 . TYR 98 98 ? B -8.731 21.746 -1.372 1.000 2 B 97.565 1 ATOM 3620 C CE2 . TYR 98 98 ? B -10.834 21.728 -0.214 1.000 2 B 97.565 1 ATOM 3621 C CZ . TYR 98 98 ? B -9.611 22.318 -0.473 1.000 2 B 97.565 1 ATOM 3622 O OH . TYR 98 98 ? B -9.265 23.485 0.172 1.000 2 B 97.565 1 ATOM 3623 N N . ALA 99 99 ? B -10.742 17.165 -5.338 1.000 2 B 98.263 1 ATOM 3624 C CA . ALA 99 99 ? B -10.919 15.926 -6.091 1.000 2 B 98.263 1 ATOM 3625 C C . ALA 99 99 ? B -9.572 15.323 -6.479 1.000 2 B 98.263 1 ATOM 3626 O O . ALA 99 99 ? B -8.534 15.979 -6.361 1.000 2 B 98.263 1 ATOM 3627 C CB . ALA 99 99 ? B -11.765 16.177 -7.337 1.000 2 B 98.263 1 ATOM 3628 N N . CYS 100 100 ? B -9.601 14.069 -6.854 1.000 2 B 98.514 1 ATOM 3629 C CA . CYS 100 100 ? B -8.470 13.325 -7.396 1.000 2 B 98.514 1 ATOM 3630 C C . CYS 100 100 ? B -8.741 12.891 -8.832 1.000 2 B 98.514 1 ATOM 3631 O O . CYS 100 100 ? B -9.747 12.235 -9.108 1.000 2 B 98.514 1 ATOM 3632 C CB . CYS 100 100 ? B -8.170 12.100 -6.532 1.000 2 B 98.514 1 ATOM 3633 S SG . CYS 100 100 ? B -6.755 11.135 -7.104 1.000 2 B 98.514 1 ATOM 3634 N N . ARG 101 101 ? B -7.869 13.378 -9.700 1.000 2 B 98.595 1 ATOM 3635 C CA . ARG 101 101 ? B -7.969 12.995 -11.104 1.000 2 B 98.595 1 ATOM 3636 C C . ARG 101 101 ? B -6.942 11.923 -11.454 1.000 2 B 98.595 1 ATOM 3637 O O . ARG 101 101 ? B -5.740 12.122 -11.264 1.000 2 B 98.595 1 ATOM 3638 C CB . ARG 101 101 ? B -7.782 14.215 -12.009 1.000 2 B 98.595 1 ATOM 3639 C CG . ARG 101 101 ? B -7.952 13.915 -13.490 1.000 2 B 98.595 1 ATOM 3640 C CD . ARG 101 101 ? B -7.901 15.182 -14.332 1.000 2 B 98.595 1 ATOM 3641 N NE . ARG 101 101 ? B -6.575 15.794 -14.305 1.000 2 B 98.595 1 ATOM 3642 C CZ . ARG 101 101 ? B -6.302 17.030 -14.714 1.000 2 B 98.595 1 ATOM 3643 N NH1 . ARG 101 101 ? B -7.263 17.814 -15.190 1.000 2 B 98.595 1 ATOM 3644 N NH2 . ARG 101 101 ? B -5.060 17.487 -14.645 1.000 2 B 98.595 1 ATOM 3645 N N . VAL 102 102 ? B -7.443 10.804 -11.967 1.000 2 B 98.622 1 ATOM 3646 C CA . VAL 102 102 ? B -6.573 9.674 -12.279 1.000 2 B 98.622 1 ATOM 3647 C C . VAL 102 102 ? B -6.721 9.299 -13.752 1.000 2 B 98.622 1 ATOM 3648 O O . VAL 102 102 ? B -7.838 9.125 -14.246 1.000 2 B 98.622 1 ATOM 3649 C CB . VAL 102 102 ? B -6.884 8.454 -11.384 1.000 2 B 98.622 1 ATOM 3650 C CG1 . VAL 102 102 ? B -6.035 7.252 -11.796 1.000 2 B 98.622 1 ATOM 3651 C CG2 . VAL 102 102 ? B -6.652 8.798 -9.914 1.000 2 B 98.622 1 ATOM 3652 N N . ASN 103 103 ? B -5.599 9.202 -14.417 1.000 2 B 98.504 1 ATOM 3653 C CA . ASN 103 103 ? B -5.499 8.728 -15.793 1.000 2 B 98.504 1 ATOM 3654 C C . ASN 103 103 ? B -4.688 7.438 -15.884 1.000 2 B 98.504 1 ATOM 3655 O O . ASN 103 103 ? B -3.551 7.380 -15.414 1.000 2 B 98.504 1 ATOM 3656 C CB . ASN 103 103 ? B -4.885 9.805 -16.689 1.000 2 B 98.504 1 ATOM 3657 C CG . ASN 103 103 ? B -4.990 9.468 -18.164 1.000 2 B 98.504 1 ATOM 3658 O OD1 . ASN 103 103 ? B -5.804 8.633 -18.566 1.000 2 B 98.504 1 ATOM 3659 N ND2 . ASN 103 103 ? B -4.167 10.116 -18.980 1.000 2 B 98.504 1 ATOM 3660 N N . HIS 104 104 ? B -5.313 6.444 -16.418 1.000 2 B 98.100 1 ATOM 3661 C CA . HIS 104 104 ? B -4.715 5.119 -16.543 1.000 2 B 98.100 1 ATOM 3662 C C . HIS 104 104 ? B -5.191 4.418 -17.810 1.000 2 B 98.100 1 ATOM 3663 O O . HIS 104 104 ? B -6.299 4.673 -18.288 1.000 2 B 98.100 1 ATOM 3664 C CB . HIS 104 104 ? B -5.042 4.266 -15.316 1.000 2 B 98.100 1 ATOM 3665 C CG . HIS 104 104 ? B -4.319 2.958 -15.285 1.000 2 B 98.100 1 ATOM 3666 N ND1 . HIS 104 104 ? B -4.917 1.768 -15.641 1.000 2 B 98.100 1 ATOM 3667 C CD2 . HIS 104 104 ? B -3.045 2.654 -14.942 1.000 2 B 98.100 1 ATOM 3668 C CE1 . HIS 104 104 ? B -4.039 0.787 -15.517 1.000 2 B 98.100 1 ATOM 3669 N NE2 . HIS 104 104 ? B -2.895 1.298 -15.095 1.000 2 B 98.100 1 ATOM 3670 N N . VAL 105 105 ? B -4.389 3.602 -18.432 1.000 2 B 95.492 1 ATOM 3671 C CA . VAL 105 105 ? B -4.650 2.972 -19.722 1.000 2 B 95.492 1 ATOM 3672 C C . VAL 105 105 ? B -5.977 2.218 -19.670 1.000 2 B 95.492 1 ATOM 3673 O O . VAL 105 105 ? B -6.622 2.012 -20.700 1.000 2 B 95.492 1 ATOM 3674 C CB . VAL 105 105 ? B -3.508 2.014 -20.127 1.000 2 B 95.492 1 ATOM 3675 C CG1 . VAL 105 105 ? B -3.453 0.811 -19.187 1.000 2 B 95.492 1 ATOM 3676 C CG2 . VAL 105 105 ? B -3.683 1.558 -21.575 1.000 2 B 95.492 1 ATOM 3677 N N . THR 106 106 ? B -6.387 1.743 -18.492 1.000 2 B 97.397 1 ATOM 3678 C CA . THR 106 106 ? B -7.606 0.951 -18.364 1.000 2 B 97.397 1 ATOM 3679 C C . THR 106 106 ? B -8.832 1.856 -18.279 1.000 2 B 97.397 1 ATOM 3680 O O . THR 106 106 ? B -9.967 1.375 -18.284 1.000 2 B 97.397 1 ATOM 3681 C CB . THR 106 106 ? B -7.552 0.038 -17.126 1.000 2 B 97.397 1 ATOM 3682 O OG1 . THR 106 106 ? B -7.413 0.845 -15.950 1.000 2 B 97.397 1 ATOM 3683 C CG2 . THR 106 106 ? B -6.375 -0.929 -17.207 1.000 2 B 97.397 1 ATOM 3684 N N . LEU 107 107 ? B -8.614 3.157 -18.180 1.000 2 B 97.949 1 ATOM 3685 C CA . LEU 107 107 ? B -9.714 4.114 -18.133 1.000 2 B 97.949 1 ATOM 3686 C C . LEU 107 107 ? B -9.914 4.780 -19.490 1.000 2 B 97.949 1 ATOM 3687 O O . LEU 107 107 ? B -8.946 5.198 -20.130 1.000 2 B 97.949 1 ATOM 3688 C CB . LEU 107 107 ? B -9.453 5.178 -17.063 1.000 2 B 97.949 1 ATOM 3689 C CG . LEU 107 107 ? B -9.286 4.672 -15.630 1.000 2 B 97.949 1 ATOM 3690 C CD1 . LEU 107 107 ? B -8.787 5.794 -14.726 1.000 2 B 97.949 1 ATOM 3691 C CD2 . LEU 107 107 ? B -10.600 4.102 -15.107 1.000 2 B 97.949 1 ATOM 3692 N N . SER 108 108 ? B -11.145 4.798 -19.992 1.000 2 B 96.960 1 ATOM 3693 C CA . SER 108 108 ? B -11.446 5.417 -21.278 1.000 2 B 96.960 1 ATOM 3694 C C . SER 108 108 ? B -11.190 6.920 -21.242 1.000 2 B 96.960 1 ATOM 3695 O O . SER 108 108 ? B -10.852 7.523 -22.263 1.000 2 B 96.960 1 ATOM 3696 C CB . SER 108 108 ? B -12.897 5.148 -21.677 1.000 2 B 96.960 1 ATOM 3697 O OG . SER 108 108 ? B -13.789 5.640 -20.691 1.000 2 B 96.960 1 ATOM 3698 N N . GLN 109 109 ? B -11.451 7.569 -20.148 1.000 2 B 97.422 1 ATOM 3699 C CA . GLN 109 109 ? B -11.166 8.962 -19.818 1.000 2 B 97.422 1 ATOM 3700 C C . GLN 109 109 ? B -10.654 9.095 -18.386 1.000 2 B 97.422 1 ATOM 3701 O O . GLN 109 109 ? B -10.845 8.194 -17.567 1.000 2 B 97.422 1 ATOM 3702 C CB . GLN 109 109 ? B -12.414 9.825 -20.011 1.000 2 B 97.422 1 ATOM 3703 C CG . GLN 109 109 ? B -13.586 9.419 -19.127 1.000 2 B 97.422 1 ATOM 3704 C CD . GLN 109 109 ? B -14.862 10.167 -19.465 1.000 2 B 97.422 1 ATOM 3705 O OE1 . GLN 109 109 ? B -14.823 11.312 -19.927 1.000 2 B 97.422 1 ATOM 3706 N NE2 . GLN 109 109 ? B -16.003 9.525 -19.238 1.000 2 B 97.422 1 ATOM 3707 N N . PRO 110 110 ? B -9.972 10.228 -18.205 1.000 2 B 97.936 1 ATOM 3708 C CA . PRO 110 110 ? B -9.559 10.435 -16.815 1.000 2 B 97.936 1 ATOM 3709 C C . PRO 110 110 ? B -10.725 10.344 -15.834 1.000 2 B 97.936 1 ATOM 3710 O O . PRO 110 110 ? B -11.824 10.822 -16.129 1.000 2 B 97.936 1 ATOM 3711 C CB . PRO 110 110 ? B -8.966 11.846 -16.829 1.000 2 B 97.936 1 ATOM 3712 C CG . PRO 110 110 ? B -8.525 12.061 -18.241 1.000 2 B 97.936 1 ATOM 3713 C CD . PRO 110 110 ? B -9.496 11.369 -19.155 1.000 2 B 97.936 1 ATOM 3714 N N . LYS 111 111 ? B -10.536 9.603 -14.734 1.000 2 B 98.257 1 ATOM 3715 C CA . LYS 111 111 ? B -11.536 9.477 -13.677 1.000 2 B 98.257 1 ATOM 3716 C C . LYS 111 111 ? B -11.309 10.512 -12.579 1.000 2 B 98.257 1 ATOM 3717 O O . LYS 111 111 ? B -10.187 10.677 -12.096 1.000 2 B 98.257 1 ATOM 3718 C CB . LYS 111 111 ? B -11.512 8.068 -13.081 1.000 2 B 98.257 1 ATOM 3719 C CG . LYS 111 111 ? B -12.651 7.787 -12.112 1.000 2 B 98.257 1 ATOM 3720 C CD . LYS 111 111 ? B -12.726 6.309 -11.751 1.000 2 B 98.257 1 ATOM 3721 C CE . LYS 111 111 ? B -13.912 6.013 -10.843 1.000 2 B 98.257 1 ATOM 3722 N NZ . LYS 111 111 ? B -14.022 4.557 -10.531 1.000 2 B 98.257 1 ATOM 3723 N N . ILE 112 112 ? B -12.391 11.217 -12.244 1.000 2 B 98.275 1 ATOM 3724 C CA . ILE 112 112 ? B -12.324 12.231 -11.197 1.000 2 B 98.275 1 ATOM 3725 C C . ILE 112 112 ? B -13.175 11.799 -10.006 1.000 2 B 98.275 1 ATOM 3726 O O . ILE 112 112 ? B -14.372 11.542 -10.151 1.000 2 B 98.275 1 ATOM 3727 C CB . ILE 112 112 ? B -12.789 13.611 -11.716 1.000 2 B 98.275 1 ATOM 3728 C CG1 . ILE 112 112 ? B -11.888 14.081 -12.864 1.000 2 B 98.275 1 ATOM 3729 C CG2 . ILE 112 112 ? B -12.808 14.636 -10.579 1.000 2 B 98.275 1 ATOM 3730 C CD1 . ILE 112 112 ? B -12.347 15.375 -13.521 1.000 2 B 98.275 1 ATOM 3731 N N . VAL 113 113 ? B -12.520 11.628 -8.881 1.000 2 B 97.934 1 ATOM 3732 C CA . VAL 113 113 ? B -13.220 11.265 -7.654 1.000 2 B 97.934 1 ATOM 3733 C C . VAL 113 113 ? B -13.175 12.431 -6.669 1.000 2 B 97.934 1 ATOM 3734 O O . VAL 113 113 ? B -12.096 12.868 -6.264 1.000 2 B 97.934 1 ATOM 3735 C CB . VAL 113 113 ? B -12.615 9.998 -7.008 1.000 2 B 97.934 1 ATOM 3736 C CG1 . VAL 113 113 ? B -13.379 9.619 -5.741 1.000 2 B 97.934 1 ATOM 3737 C CG2 . VAL 113 113 ? B -12.617 8.840 -8.004 1.000 2 B 97.934 1 ATOM 3738 N N . LYS 114 114 ? B -14.369 12.886 -6.288 1.000 2 B 97.699 1 ATOM 3739 C CA . LYS 114 114 ? B -14.486 14.036 -5.397 1.000 2 B 97.699 1 ATOM 3740 C C . LYS 114 114 ? B -14.322 13.620 -3.938 1.000 2 B 97.699 1 ATOM 3741 O O . LYS 114 114 ? B -14.711 12.515 -3.554 1.000 2 B 97.699 1 ATOM 3742 C CB . LYS 114 114 ? B -15.833 14.733 -5.594 1.000 2 B 97.699 1 ATOM 3743 C CG . LYS 114 114 ? B -16.000 15.382 -6.960 1.000 2 B 97.699 1 ATOM 3744 C CD . LYS 114 114 ? B -17.327 16.123 -7.069 1.000 2 B 97.699 1 ATOM 3745 C CE . LYS 114 114 ? B -17.500 16.763 -8.440 1.000 2 B 97.699 1 ATOM 3746 N NZ . LYS 114 114 ? B -18.823 17.444 -8.570 1.000 2 B 97.699 1 ATOM 3747 N N . TRP 115 115 ? B -13.587 14.425 -3.278 1.000 2 B 96.401 1 ATOM 3748 C CA . TRP 115 115 ? B -13.498 14.271 -1.829 1.000 2 B 96.401 1 ATOM 3749 C C . TRP 115 115 ? B -14.854 14.505 -1.173 1.000 2 B 96.401 1 ATOM 3750 O O . TRP 115 115 ? B -15.513 15.513 -1.438 1.000 2 B 96.401 1 ATOM 3751 C CB . TRP 115 115 ? B -12.461 15.236 -1.248 1.000 2 B 96.401 1 ATOM 3752 C CG . TRP 115 115 ? B -12.429 15.264 0.251 1.000 2 B 96.401 1 ATOM 3753 C CD1 . TRP 115 115 ? B -12.096 14.236 1.088 1.000 2 B 96.401 1 ATOM 3754 C CD2 . TRP 115 115 ? B -12.747 16.378 1.091 1.000 2 B 96.401 1 ATOM 3755 N NE1 . TRP 115 115 ? B -12.188 14.643 2.398 1.000 2 B 96.401 1 ATOM 3756 C CE2 . TRP 115 115 ? B -12.585 15.953 2.428 1.000 2 B 96.401 1 ATOM 3757 C CE3 . TRP 115 115 ? B -13.153 17.696 0.842 1.000 2 B 96.401 1 ATOM 3758 C CZ2 . TRP 115 115 ? B -12.815 16.801 3.514 1.000 2 B 96.401 1 ATOM 3759 C CZ3 . TRP 115 115 ? B -13.381 18.538 1.925 1.000 2 B 96.401 1 ATOM 3760 C CH2 . TRP 115 115 ? B -13.211 18.085 3.243 1.000 2 B 96.401 1 ATOM 3761 N N . ASP 116 116 ? B -15.221 13.507 -0.453 1.000 2 B 91.395 1 ATOM 3762 C CA . ASP 116 116 ? B -16.441 13.602 0.343 1.000 2 B 91.395 1 ATOM 3763 C C . ASP 116 116 ? B -16.119 13.791 1.823 1.000 2 B 91.395 1 ATOM 3764 O O . ASP 116 116 ? B -15.538 12.905 2.455 1.000 2 B 91.395 1 ATOM 3765 C CB . ASP 116 116 ? B -17.308 12.357 0.147 1.000 2 B 91.395 1 ATOM 3766 C CG . ASP 116 116 ? B -18.672 12.475 0.803 1.000 2 B 91.395 1 ATOM 3767 O OD1 . ASP 116 116 ? B -18.905 13.444 1.558 1.000 2 B 91.395 1 ATOM 3768 O OD2 . ASP 116 116 ? B -19.522 11.589 0.566 1.000 2 B 91.395 1 ATOM 3769 N N . ARG 117 117 ? B -16.625 14.853 2.351 1.000 2 B 86.742 1 ATOM 3770 C CA . ARG 117 117 ? B -16.350 15.247 3.728 1.000 2 B 86.742 1 ATOM 3771 C C . ARG 117 117 ? B -16.823 14.180 4.709 1.000 2 B 86.742 1 ATOM 3772 O O . ARG 117 117 ? B -16.271 14.046 5.803 1.000 2 B 86.742 1 ATOM 3773 C CB . ARG 117 117 ? B -17.020 16.586 4.048 1.000 2 B 86.742 1 ATOM 3774 C CG . ARG 117 117 ? B -16.707 17.114 5.439 1.000 2 B 86.742 1 ATOM 3775 C CD . ARG 117 117 ? B -17.392 18.448 5.703 1.000 2 B 86.742 1 ATOM 3776 N NE . ARG 117 117 ? B -16.712 19.547 5.024 1.000 2 B 86.742 1 ATOM 3777 C CZ . ARG 117 117 ? B -16.794 20.825 5.381 1.000 2 B 86.742 1 ATOM 3778 N NH1 . ARG 117 117 ? B -17.533 21.193 6.422 1.000 2 B 86.742 1 ATOM 3779 N NH2 . ARG 117 117 ? B -16.133 21.744 4.692 1.000 2 B 86.742 1 ATOM 3780 N N . ASP 118 118 ? B -17.752 13.402 4.279 1.000 2 B 79.310 1 ATOM 3781 C CA . ASP 118 118 ? B -18.357 12.419 5.173 1.000 2 B 79.310 1 ATOM 3782 C C . ASP 118 118 ? B -17.745 11.036 4.963 1.000 2 B 79.310 1 ATOM 3783 O O . ASP 118 118 ? B -18.131 10.073 5.629 1.000 2 B 79.310 1 ATOM 3784 C CB . ASP 118 118 ? B -19.872 12.361 4.961 1.000 2 B 79.310 1 ATOM 3785 C CG . ASP 118 118 ? B -20.580 13.632 5.397 1.000 2 B 79.310 1 ATOM 3786 O OD1 . ASP 118 118 ? B -20.118 14.290 6.355 1.000 2 B 79.310 1 ATOM 3787 O OD2 . ASP 118 118 ? B -21.611 13.977 4.780 1.000 2 B 79.310 1 ATOM 3788 N N . MET 119 119 ? B -16.707 10.894 3.959 1.000 2 B 70.967 1 ATOM 3789 C CA . MET 119 119 ? B -16.100 9.603 3.649 1.000 2 B 70.967 1 ATOM 3790 C C . MET 119 119 ? B -14.608 9.614 3.963 1.000 2 B 70.967 1 ATOM 3791 O O . MET 119 119 ? B -13.969 10.667 3.926 1.000 2 B 70.967 1 ATOM 3792 C CB . MET 119 119 ? B -16.323 9.242 2.179 1.000 2 B 70.967 1 ATOM 3793 C CG . MET 119 119 ? B -17.771 8.932 1.837 1.000 2 B 70.967 1 ATOM 3794 S SD . MET 119 119 ? B -17.927 7.779 0.419 1.000 2 B 70.967 1 ATOM 3795 C CE . MET 119 119 ? B -19.733 7.671 0.291 1.000 2 B 70.967 1 loop_ _atom_type.symbol C N O S loop_ _ma_entry_associated_files.id _ma_entry_associated_files.entry_id _ma_entry_associated_files.file_url _ma_entry_associated_files.file_type _ma_entry_associated_files.file_format _ma_entry_associated_files.file_content _ma_entry_associated_files.details 1 ma-t3vr3-355 https://modelarchive.org/api/projects/ma-t3vr3-355?type=materials_procedures__accompanying_data_file_name archive zip 'archive with multiple files' . loop_ _ma_associated_archive_file_details.id _ma_associated_archive_file_details.archive_file_id _ma_associated_archive_file_details.file_path _ma_associated_archive_file_details.file_format _ma_associated_archive_file_details.file_content _ma_associated_archive_file_details.description _ma_associated_archive_file_details.data_id 1 1 ma-t3vr3-355_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 P13747_P61769.i95.fas fasta 'multiple sequence alignments' 'Paired MSAs' 4 loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.description _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.type_other_details _ma_qa_metric.software_group_id 1 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT global . . 2 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . . 3 PAE 'Predicted aligned error (in Angstroms)' PAE local-pairwise . . 4 'contact probability' 'Contact probability of a pairwise interaction in [0,1]' 'contact probability' local-pairwise . . loop_ _ma_qa_metric_global.ordinal_id _ma_qa_metric_global.model_id _ma_qa_metric_global.metric_id _ma_qa_metric_global.metric_value 1 1 1 85.493 loop_ _ma_qa_metric_local.ordinal_id _ma_qa_metric_local.model_id _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value 1 1 A 1 MET 2 44.443 2 1 A 2 VAL 2 41.843 3 1 A 3 ASP 2 48.540 4 1 A 4 GLY 2 51.006 5 1 A 5 THR 2 55.250 6 1 A 6 LEU 2 53.413 7 1 A 7 LEU 2 53.350 8 1 A 8 LEU 2 53.980 9 1 A 9 LEU 2 54.214 10 1 A 10 LEU 2 50.746 11 1 A 11 SER 2 49.520 12 1 A 12 GLU 2 44.957 13 1 A 13 ALA 2 47.551 14 1 A 14 LEU 2 42.885 15 1 A 15 ALA 2 42.178 16 1 A 16 LEU 2 40.845 17 1 A 17 THR 2 46.389 18 1 A 18 GLN 2 48.652 19 1 A 19 THR 2 53.463 20 1 A 20 TRP 2 65.229 21 1 A 21 ALA 2 64.565 22 1 A 22 GLY 2 81.606 23 1 A 23 SER 2 92.421 24 1 A 24 HIS 2 95.677 25 1 A 25 SER 2 97.480 26 1 A 26 LEU 2 98.638 27 1 A 27 LYS 2 98.379 28 1 A 28 TYR 2 98.448 29 1 A 29 PHE 2 98.655 30 1 A 30 HIS 2 98.685 31 1 A 31 THR 2 98.524 32 1 A 32 SER 2 98.176 33 1 A 33 VAL 2 97.118 34 1 A 34 SER 2 95.414 35 1 A 35 ARG 2 92.622 36 1 A 36 PRO 2 86.574 37 1 A 37 GLY 2 87.048 38 1 A 38 ARG 2 85.060 39 1 A 39 GLY 2 87.340 40 1 A 40 GLU 2 92.324 41 1 A 41 PRO 2 96.287 42 1 A 42 ARG 2 97.014 43 1 A 43 PHE 2 98.300 44 1 A 44 ILE 2 98.318 45 1 A 45 SER 2 98.579 46 1 A 46 VAL 2 98.617 47 1 A 47 GLY 2 98.392 48 1 A 48 TYR 2 98.312 49 1 A 49 VAL 2 98.047 50 1 A 50 ASP 2 95.581 51 1 A 51 ASP 2 95.191 52 1 A 52 THR 2 96.504 53 1 A 53 GLN 2 97.185 54 1 A 54 PHE 2 97.878 55 1 A 55 VAL 2 98.048 56 1 A 56 ARG 2 97.919 57 1 A 57 PHE 2 98.499 58 1 A 58 ASP 2 97.833 59 1 A 59 ASN 2 97.015 60 1 A 60 ASP 2 95.064 61 1 A 61 ALA 2 95.557 62 1 A 62 ALA 2 95.130 63 1 A 63 SER 2 94.944 64 1 A 64 PRO 2 96.391 65 1 A 65 ARG 2 97.774 66 1 A 66 MET 2 97.823 67 1 A 67 VAL 2 96.962 68 1 A 68 PRO 2 97.323 69 1 A 69 ARG 2 95.881 70 1 A 70 ALA 2 95.445 71 1 A 71 PRO 2 95.216 72 1 A 72 TRP 2 95.153 73 1 A 73 MET 2 96.369 74 1 A 74 GLU 2 93.623 75 1 A 75 GLN 2 92.024 76 1 A 76 GLU 2 93.915 77 1 A 77 GLY 2 94.122 78 1 A 78 SER 2 95.339 79 1 A 79 GLU 2 97.096 80 1 A 80 TYR 2 96.514 81 1 A 81 TRP 2 97.216 82 1 A 82 ASP 2 97.889 83 1 A 83 ARG 2 97.858 84 1 A 84 GLU 2 97.670 85 1 A 85 THR 2 98.367 86 1 A 86 ARG 2 98.243 87 1 A 87 SER 2 97.841 88 1 A 88 ALA 2 98.290 89 1 A 89 ARG 2 98.241 90 1 A 90 ASP 2 98.138 91 1 A 91 THR 2 98.186 92 1 A 92 ALA 2 98.343 93 1 A 93 GLN 2 97.823 94 1 A 94 ILE 2 97.694 95 1 A 95 PHE 2 98.325 96 1 A 96 ARG 2 97.072 97 1 A 97 VAL 2 97.040 98 1 A 98 ASN 2 97.812 99 1 A 99 LEU 2 97.464 100 1 A 100 ARG 2 95.711 101 1 A 101 THR 2 97.404 102 1 A 102 LEU 2 97.255 103 1 A 103 ARG 2 95.314 104 1 A 104 GLY 2 95.737 105 1 A 105 TYR 2 96.291 106 1 A 106 TYR 2 95.343 107 1 A 107 ASN 2 94.265 108 1 A 108 GLN 2 93.500 109 1 A 109 SER 2 90.702 110 1 A 110 GLU 2 88.666 111 1 A 111 ALA 2 89.208 112 1 A 112 GLY 2 88.801 113 1 A 113 SER 2 92.635 114 1 A 114 HIS 2 95.735 115 1 A 115 THR 2 97.525 116 1 A 116 LEU 2 98.494 117 1 A 117 GLN 2 98.599 118 1 A 118 TRP 2 98.612 119 1 A 119 MET 2 98.521 120 1 A 120 HIS 2 98.397 121 1 A 121 GLY 2 98.315 122 1 A 122 CYS 2 98.544 123 1 A 123 GLU 2 97.919 124 1 A 124 LEU 2 97.099 125 1 A 125 GLY 2 94.764 126 1 A 126 PRO 2 90.213 127 1 A 127 ASP 2 89.417 128 1 A 128 GLY 2 90.219 129 1 A 129 ARG 2 93.531 130 1 A 130 PHE 2 96.573 131 1 A 131 LEU 2 96.744 132 1 A 132 ARG 2 97.357 133 1 A 133 GLY 2 97.880 134 1 A 134 TYR 2 96.526 135 1 A 135 GLU 2 97.923 136 1 A 136 GLN 2 98.230 137 1 A 137 PHE 2 98.444 138 1 A 138 ALA 2 98.355 139 1 A 139 TYR 2 98.067 140 1 A 140 ASP 2 96.804 141 1 A 141 GLY 2 96.053 142 1 A 142 LYS 2 95.726 143 1 A 143 ASP 2 97.333 144 1 A 144 TYR 2 97.813 145 1 A 145 LEU 2 98.312 146 1 A 146 THR 2 98.287 147 1 A 147 LEU 2 98.257 148 1 A 148 ASN 2 97.240 149 1 A 149 GLU 2 94.905 150 1 A 150 ASP 2 95.535 151 1 A 151 LEU 2 97.020 152 1 A 152 ARG 2 95.793 153 1 A 153 SER 2 95.569 154 1 A 154 TRP 2 98.008 155 1 A 155 THR 2 97.735 156 1 A 156 ALA 2 98.286 157 1 A 157 VAL 2 96.360 158 1 A 158 ASP 2 95.670 159 1 A 159 THR 2 95.726 160 1 A 160 ALA 2 95.522 161 1 A 161 ALA 2 97.804 162 1 A 162 GLN 2 98.334 163 1 A 163 ILE 2 97.878 164 1 A 164 SER 2 97.745 165 1 A 165 GLU 2 98.168 166 1 A 166 GLN 2 97.798 167 1 A 167 LYS 2 96.826 168 1 A 168 SER 2 96.855 169 1 A 169 ASN 2 96.249 170 1 A 170 ASP 2 96.006 171 1 A 171 ALA 2 95.517 172 1 A 172 SER 2 95.212 173 1 A 173 GLU 2 96.010 174 1 A 174 ALA 2 97.432 175 1 A 175 GLU 2 96.755 176 1 A 176 HIS 2 96.122 177 1 A 177 GLN 2 97.359 178 1 A 178 ARG 2 97.751 179 1 A 179 ALA 2 97.433 180 1 A 180 TYR 2 97.685 181 1 A 181 LEU 2 98.463 182 1 A 182 GLU 2 97.898 183 1 A 183 ASP 2 97.272 184 1 A 184 THR 2 97.553 185 1 A 185 CYS 2 98.295 186 1 A 186 VAL 2 98.003 187 1 A 187 GLU 2 97.562 188 1 A 188 TRP 2 97.224 189 1 A 189 LEU 2 97.971 190 1 A 190 HIS 2 96.687 191 1 A 191 LYS 2 95.827 192 1 A 192 TYR 2 96.705 193 1 A 193 LEU 2 95.640 194 1 A 194 GLU 2 94.480 195 1 A 195 LYS 2 94.694 196 1 A 196 GLY 2 94.626 197 1 A 197 LYS 2 93.796 198 1 A 198 GLU 2 92.295 199 1 A 199 THR 2 92.259 200 1 A 200 LEU 2 93.457 201 1 A 201 LEU 2 90.855 202 1 A 202 HIS 2 92.080 203 1 A 203 LEU 2 94.024 204 1 A 204 GLU 2 95.907 205 1 A 205 PRO 2 97.468 206 1 A 206 PRO 2 97.822 207 1 A 207 LYS 2 97.466 208 1 A 208 THR 2 97.128 209 1 A 209 HIS 2 95.918 210 1 A 210 VAL 2 96.010 211 1 A 211 THR 2 94.183 212 1 A 212 HIS 2 93.851 213 1 A 213 HIS 2 92.979 214 1 A 214 PRO 2 92.712 215 1 A 215 ILE 2 91.783 216 1 A 216 SER 2 93.249 217 1 A 217 ASP 2 91.527 218 1 A 218 HIS 2 94.898 219 1 A 219 GLU 2 95.316 220 1 A 220 ALA 2 94.498 221 1 A 221 THR 2 95.009 222 1 A 222 LEU 2 95.712 223 1 A 223 ARG 2 95.600 224 1 A 224 CYS 2 96.701 225 1 A 225 TRP 2 96.427 226 1 A 226 ALA 2 97.681 227 1 A 227 LEU 2 96.976 228 1 A 228 GLY 2 97.108 229 1 A 229 PHE 2 97.598 230 1 A 230 TYR 2 96.385 231 1 A 231 PRO 2 94.871 232 1 A 232 ALA 2 95.919 233 1 A 233 GLU 2 95.162 234 1 A 234 ILE 2 96.291 235 1 A 235 THR 2 95.733 236 1 A 236 LEU 2 96.411 237 1 A 237 THR 2 95.366 238 1 A 238 TRP 2 96.072 239 1 A 239 GLN 2 95.203 240 1 A 240 GLN 2 94.341 241 1 A 241 ASP 2 91.675 242 1 A 242 GLY 2 88.096 243 1 A 243 GLU 2 90.610 244 1 A 244 GLY 2 84.747 245 1 A 245 HIS 2 80.347 246 1 A 246 THR 2 75.534 247 1 A 247 GLN 2 74.200 248 1 A 248 ASP 2 77.146 249 1 A 249 THR 2 85.018 250 1 A 250 GLU 2 89.206 251 1 A 251 LEU 2 86.456 252 1 A 252 VAL 2 90.599 253 1 A 253 GLU 2 91.367 254 1 A 254 THR 2 95.447 255 1 A 255 ARG 2 95.227 256 1 A 256 PRO 2 96.783 257 1 A 257 ALA 2 95.487 258 1 A 258 GLY 2 91.573 259 1 A 259 ASP 2 92.784 260 1 A 260 GLY 2 92.846 261 1 A 261 THR 2 96.501 262 1 A 262 PHE 2 97.616 263 1 A 263 GLN 2 97.020 264 1 A 264 LYS 2 96.773 265 1 A 265 TRP 2 95.622 266 1 A 266 ALA 2 95.823 267 1 A 267 ALA 2 95.289 268 1 A 268 VAL 2 95.234 269 1 A 269 VAL 2 94.732 270 1 A 270 VAL 2 94.138 271 1 A 271 PRO 2 94.561 272 1 A 272 SER 2 92.495 273 1 A 273 GLY 2 90.598 274 1 A 274 GLU 2 93.254 275 1 A 275 GLU 2 93.468 276 1 A 276 GLN 2 92.931 277 1 A 277 ARG 2 94.269 278 1 A 278 TYR 2 95.372 279 1 A 279 THR 2 96.789 280 1 A 280 CYS 2 96.953 281 1 A 281 HIS 2 96.737 282 1 A 282 VAL 2 97.728 283 1 A 283 GLN 2 97.324 284 1 A 284 HIS 2 96.443 285 1 A 285 GLU 2 93.479 286 1 A 286 GLY 2 93.493 287 1 A 287 LEU 2 96.295 288 1 A 288 PRO 2 94.329 289 1 A 289 GLU 2 96.107 290 1 A 290 PRO 2 96.918 291 1 A 291 VAL 2 97.047 292 1 A 292 THR 2 97.199 293 1 A 293 LEU 2 96.581 294 1 A 294 ARG 2 95.010 295 1 A 295 TRP 2 93.895 296 1 A 296 LYS 2 87.846 297 1 A 297 PRO 2 82.626 298 1 A 298 ALA 2 73.710 299 1 A 299 SER 2 63.829 300 1 A 300 GLN 2 52.902 301 1 A 301 PRO 2 51.731 302 1 A 302 THR 2 49.032 303 1 A 303 ILE 2 53.871 304 1 A 304 PRO 2 48.162 305 1 A 305 ILE 2 53.711 306 1 A 306 VAL 2 51.557 307 1 A 307 GLY 2 50.900 308 1 A 308 ILE 2 57.374 309 1 A 309 ILE 2 58.253 310 1 A 310 ALA 2 57.807 311 1 A 311 GLY 2 56.227 312 1 A 312 LEU 2 64.232 313 1 A 313 VAL 2 64.791 314 1 A 314 LEU 2 58.470 315 1 A 315 LEU 2 57.952 316 1 A 316 GLY 2 55.155 317 1 A 317 SER 2 55.485 318 1 A 318 VAL 2 55.845 319 1 A 319 VAL 2 52.954 320 1 A 320 SER 2 50.939 321 1 A 321 GLY 2 49.772 322 1 A 322 ALA 2 49.301 323 1 A 323 VAL 2 51.430 324 1 A 324 VAL 2 51.540 325 1 A 325 ALA 2 50.033 326 1 A 326 ALA 2 49.435 327 1 A 327 VAL 2 51.302 328 1 A 328 ILE 2 49.706 329 1 A 329 TRP 2 42.541 330 1 A 330 ARG 2 39.407 331 1 A 331 LYS 2 41.840 332 1 A 332 LYS 2 40.728 333 1 A 333 SER 2 34.530 334 1 A 334 SER 2 37.859 335 1 A 335 GLY 2 33.238 336 1 A 336 GLY 2 33.105 337 1 A 337 LYS 2 30.625 338 1 A 338 GLY 2 27.596 339 1 A 339 GLY 2 31.845 340 1 A 340 SER 2 27.714 341 1 A 341 TYR 2 28.708 342 1 A 342 SER 2 30.183 343 1 A 343 LYS 2 30.291 344 1 A 344 ALA 2 30.776 345 1 A 345 GLU 2 30.068 346 1 A 346 TRP 2 31.801 347 1 A 347 SER 2 30.976 348 1 A 348 ASP 2 31.882 349 1 A 349 SER 2 33.692 350 1 A 350 ALA 2 34.436 351 1 A 351 GLN 2 31.996 352 1 A 352 GLY 2 28.852 353 1 A 353 SER 2 33.339 354 1 A 354 GLU 2 30.114 355 1 A 355 SER 2 35.070 356 1 A 356 HIS 2 25.171 357 1 A 357 SER 2 27.436 358 1 A 358 LEU 2 38.970 359 1 B 1 MET 2 54.801 360 1 B 2 SER 2 64.530 361 1 B 3 ARG 2 59.750 362 1 B 4 SER 2 67.133 363 1 B 5 VAL 2 70.441 364 1 B 6 ALA 2 70.383 365 1 B 7 LEU 2 69.727 366 1 B 8 ALA 2 68.968 367 1 B 9 VAL 2 67.420 368 1 B 10 LEU 2 63.118 369 1 B 11 ALA 2 61.783 370 1 B 12 LEU 2 56.934 371 1 B 13 LEU 2 52.550 372 1 B 14 SER 2 50.803 373 1 B 15 LEU 2 47.661 374 1 B 16 SER 2 48.079 375 1 B 17 GLY 2 51.086 376 1 B 18 LEU 2 58.745 377 1 B 19 GLU 2 74.360 378 1 B 20 ALA 2 85.013 379 1 B 21 ILE 2 91.285 380 1 B 22 GLN 2 95.107 381 1 B 23 ARG 2 97.524 382 1 B 24 THR 2 98.006 383 1 B 25 PRO 2 98.081 384 1 B 26 LYS 2 97.455 385 1 B 27 ILE 2 97.420 386 1 B 28 GLN 2 96.438 387 1 B 29 VAL 2 97.283 388 1 B 30 TYR 2 96.129 389 1 B 31 SER 2 95.948 390 1 B 32 ARG 2 94.660 391 1 B 33 HIS 2 92.112 392 1 B 34 PRO 2 91.822 393 1 B 35 ALA 2 92.043 394 1 B 36 GLU 2 92.887 395 1 B 37 ASN 2 93.328 396 1 B 38 GLY 2 94.181 397 1 B 39 LYS 2 96.020 398 1 B 40 SER 2 96.429 399 1 B 41 ASN 2 95.978 400 1 B 42 PHE 2 96.793 401 1 B 43 LEU 2 97.301 402 1 B 44 ASN 2 97.574 403 1 B 45 CYS 2 97.943 404 1 B 46 TYR 2 97.800 405 1 B 47 VAL 2 98.160 406 1 B 48 SER 2 97.891 407 1 B 49 GLY 2 97.574 408 1 B 50 PHE 2 98.141 409 1 B 51 HIS 2 97.958 410 1 B 52 PRO 2 95.549 411 1 B 53 SER 2 95.969 412 1 B 54 ASP 2 94.266 413 1 B 55 ILE 2 97.001 414 1 B 56 GLU 2 97.735 415 1 B 57 VAL 2 98.398 416 1 B 58 ASP 2 98.313 417 1 B 59 LEU 2 98.484 418 1 B 60 LEU 2 98.352 419 1 B 61 LYS 2 97.715 420 1 B 62 ASN 2 96.711 421 1 B 63 GLY 2 96.568 422 1 B 64 GLU 2 97.798 423 1 B 65 ARG 2 97.723 424 1 B 66 ILE 2 97.678 425 1 B 67 GLU 2 94.354 426 1 B 68 LYS 2 94.733 427 1 B 69 VAL 2 97.426 428 1 B 70 GLU 2 96.206 429 1 B 71 HIS 2 96.078 430 1 B 72 SER 2 95.631 431 1 B 73 ASP 2 95.930 432 1 B 74 LEU 2 96.613 433 1 B 75 SER 2 97.102 434 1 B 76 PHE 2 97.975 435 1 B 77 SER 2 95.654 436 1 B 78 LYS 2 93.828 437 1 B 79 ASP 2 96.030 438 1 B 80 TRP 2 97.641 439 1 B 81 SER 2 98.102 440 1 B 82 PHE 2 98.465 441 1 B 83 TYR 2 97.955 442 1 B 84 LEU 2 97.593 443 1 B 85 LEU 2 97.761 444 1 B 86 TYR 2 98.126 445 1 B 87 TYR 2 97.661 446 1 B 88 THR 2 97.474 447 1 B 89 GLU 2 96.757 448 1 B 90 PHE 2 95.646 449 1 B 91 THR 2 95.818 450 1 B 92 PRO 2 93.032 451 1 B 93 THR 2 93.948 452 1 B 94 GLU 2 89.855 453 1 B 95 LYS 2 92.183 454 1 B 96 ASP 2 94.738 455 1 B 97 GLU 2 96.179 456 1 B 98 TYR 2 97.565 457 1 B 99 ALA 2 98.263 458 1 B 100 CYS 2 98.514 459 1 B 101 ARG 2 98.595 460 1 B 102 VAL 2 98.622 461 1 B 103 ASN 2 98.504 462 1 B 104 HIS 2 98.100 463 1 B 105 VAL 2 95.492 464 1 B 106 THR 2 97.397 465 1 B 107 LEU 2 97.949 466 1 B 108 SER 2 96.960 467 1 B 109 GLN 2 97.422 468 1 B 110 PRO 2 97.936 469 1 B 111 LYS 2 98.257 470 1 B 112 ILE 2 98.275 471 1 B 113 VAL 2 97.934 472 1 B 114 LYS 2 97.699 473 1 B 115 TRP 2 96.401 474 1 B 116 ASP 2 91.395 475 1 B 117 ARG 2 86.742 476 1 B 118 ASP 2 79.310 477 1 B 119 MET 2 70.967 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-355 _database_2.pdbx_DOI 10.5452/ma-t3vr3-355 _pdbx_database_status.entry_id ma-t3vr3-355 _pdbx_database_status.date_coordinates 2022-09-28:22:27 _pdbx_database_status.status_code REL loop_ _pdbx_contact_author.id _pdbx_contact_author.name_salutation _pdbx_contact_author.name_first _pdbx_contact_author.name_last _pdbx_contact_author.name_mi _pdbx_contact_author.email _pdbx_contact_author.address_1 _pdbx_contact_author.address_2 _pdbx_contact_author.address_3 5 Prof. Qian Cong . Qian.Cong@UTSouthwestern.edu 'University of Texas Southwestern Medical Center' . . 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 2022-12-21 2 'Structure model' 1 1 2023-07-19 3 'Structure model' 1 2 2023-07-25 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 1 1 'Structure model' repository 'Initial release' ? 2 3 'Structure model' repository Remediation 'Format compliance 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' Other 2 3 'Structure model' Other 3 3 'Structure model' 'Version format compliance' 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' exptl 2 3 'Structure model' ma_data 3 3 'Structure model' ma_associated_archive_file_details 4 3 'Structure model' audit_conform 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' '_exptl.entry_id' 2 2 'Structure model' '_exptl.method' 3 3 'Structure model' '_ma_data.content_type' 4 3 'Structure model' '_ma_data.content_type_other_details' 5 3 'Structure model' '_ma_associated_archive_file_details.data_id' 6 3 'Structure model' '_audit_conform.dict_location' 7 3 'Structure model' '_audit_conform.dict_version'