data_ma-t3vr3-108 _entry.id ma-t3vr3-108 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-108 _struct.pdbx_model_details ;Predicted interaction between Mitotic checkpoint protein BUB3 (residue 1 - 328) and Kinetochore scaffold 1 (residue 481 - 680). 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 BUB3 (1-328) and KNL1 (481-680)' _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) BUB3 (O43684; 1 - 328)' 43090.121 1 . 2 polymer nat 'Homo sapiens (Human) KNL1 (Q8NG31; 481 - 680)' 26003.013 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 . BUB3_HUMAN O43684 . 1 328 9606 'Homo sapiens (Human)' 1998-06-01 2915572A57368E5A 2 UNP . KNL1_HUMAN Q8NG31 . 481 680 9606 'Homo sapiens (Human)' 2009-02-10 8E29150CA4F5B5C1 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 ;MTGSNEFKLNQPPEDGISSVKFSPNTSQFLLVSSWDTSVRLYDVPANSMRLKYQHTGAVLDCAFYDPTHA WSGGLDHQLKMHDLNTDQENLVGTHDAPIRCVEYCPEVNVMVTGSWDQTVKLWDPRTPCNAGTFSQPEKV YTLSVSGDRLIVGTAGRRVLVWDLRNMGYVQQRRESSLKYQTRCIRAFPNKQGYVLSSIEGRVAVEYLDP SPEVQKKKYAFKCHRLKENNIEQIYPVNAISFHNIHNTFATGGSDGFVNIWDPFNKKRLCQFHRYPTSIA SLAFSNDGTTLAIASSYMYEMDDTEHPEDGIFIRQVTDAETKPKSPCT ; ;MTGSNEFKLNQPPEDGISSVKFSPNTSQFLLVSSWDTSVRLYDVPANSMRLKYQHTGAVLDCAFYDPTHA WSGGLDHQLKMHDLNTDQENLVGTHDAPIRCVEYCPEVNVMVTGSWDQTVKLWDPRTPCNAGTFSQPEKV YTLSVSGDRLIVGTAGRRVLVWDLRNMGYVQQRRESSLKYQTRCIRAFPNKQGYVLSSIEGRVAVEYLDP SPEVQKKKYAFKCHRLKENNIEQIYPVNAISFHNIHNTFATGGSDGFVNIWDPFNKKRLCQFHRYPTSIA SLAFSNDGTTLAIASSYMYEMDDTEHPEDGIFIRQVTDAETKPKSPCT ; 2 polypeptide(L) no no B ;HDSNYAKMYCNPDAMSSLTEKTIYSGEENMDITKSHTVAIDNQIFKQDQSNVQIAAAPTPEKEMMLQNLM TTSEDGKMNVNCNSVPHVSKERIQQSLSNPLSISLTDRKTELLSGENMDLTESHTSNLGSQVPLAAYNLA PESTSESHSQSKSSSDECEEITKSRNEPFQRSDIIAKNSLTDTWNKDKDWVLKILPYLDK ; ;HDSNYAKMYCNPDAMSSLTEKTIYSGEENMDITKSHTVAIDNQIFKQDQSNVQIAAAPTPEKEMMLQNLM TTSEDGKMNVNCNSVPHVSKERIQQSLSNPLSISLTDRKTELLSGENMDLTESHTSNLGSQVPLAAYNLA PESTSESHSQSKSSSDECEEITKSRNEPFQRSDIIAKNSLTDTWNKDKDWVLKILPYLDK ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 THR . 1 3 GLY . 1 4 SER . 1 5 ASN . 1 6 GLU . 1 7 PHE . 1 8 LYS . 1 9 LEU . 1 10 ASN . 1 11 GLN . 1 12 PRO . 1 13 PRO . 1 14 GLU . 1 15 ASP . 1 16 GLY . 1 17 ILE . 1 18 SER . 1 19 SER . 1 20 VAL . 1 21 LYS . 1 22 PHE . 1 23 SER . 1 24 PRO . 1 25 ASN . 1 26 THR . 1 27 SER . 1 28 GLN . 1 29 PHE . 1 30 LEU . 1 31 LEU . 1 32 VAL . 1 33 SER . 1 34 SER . 1 35 TRP . 1 36 ASP . 1 37 THR . 1 38 SER . 1 39 VAL . 1 40 ARG . 1 41 LEU . 1 42 TYR . 1 43 ASP . 1 44 VAL . 1 45 PRO . 1 46 ALA . 1 47 ASN . 1 48 SER . 1 49 MET . 1 50 ARG . 1 51 LEU . 1 52 LYS . 1 53 TYR . 1 54 GLN . 1 55 HIS . 1 56 THR . 1 57 GLY . 1 58 ALA . 1 59 VAL . 1 60 LEU . 1 61 ASP . 1 62 CYS . 1 63 ALA . 1 64 PHE . 1 65 TYR . 1 66 ASP . 1 67 PRO . 1 68 THR . 1 69 HIS . 1 70 ALA . 1 71 TRP . 1 72 SER . 1 73 GLY . 1 74 GLY . 1 75 LEU . 1 76 ASP . 1 77 HIS . 1 78 GLN . 1 79 LEU . 1 80 LYS . 1 81 MET . 1 82 HIS . 1 83 ASP . 1 84 LEU . 1 85 ASN . 1 86 THR . 1 87 ASP . 1 88 GLN . 1 89 GLU . 1 90 ASN . 1 91 LEU . 1 92 VAL . 1 93 GLY . 1 94 THR . 1 95 HIS . 1 96 ASP . 1 97 ALA . 1 98 PRO . 1 99 ILE . 1 100 ARG . 1 101 CYS . 1 102 VAL . 1 103 GLU . 1 104 TYR . 1 105 CYS . 1 106 PRO . 1 107 GLU . 1 108 VAL . 1 109 ASN . 1 110 VAL . 1 111 MET . 1 112 VAL . 1 113 THR . 1 114 GLY . 1 115 SER . 1 116 TRP . 1 117 ASP . 1 118 GLN . 1 119 THR . 1 120 VAL . 1 121 LYS . 1 122 LEU . 1 123 TRP . 1 124 ASP . 1 125 PRO . 1 126 ARG . 1 127 THR . 1 128 PRO . 1 129 CYS . 1 130 ASN . 1 131 ALA . 1 132 GLY . 1 133 THR . 1 134 PHE . 1 135 SER . 1 136 GLN . 1 137 PRO . 1 138 GLU . 1 139 LYS . 1 140 VAL . 1 141 TYR . 1 142 THR . 1 143 LEU . 1 144 SER . 1 145 VAL . 1 146 SER . 1 147 GLY . 1 148 ASP . 1 149 ARG . 1 150 LEU . 1 151 ILE . 1 152 VAL . 1 153 GLY . 1 154 THR . 1 155 ALA . 1 156 GLY . 1 157 ARG . 1 158 ARG . 1 159 VAL . 1 160 LEU . 1 161 VAL . 1 162 TRP . 1 163 ASP . 1 164 LEU . 1 165 ARG . 1 166 ASN . 1 167 MET . 1 168 GLY . 1 169 TYR . 1 170 VAL . 1 171 GLN . 1 172 GLN . 1 173 ARG . 1 174 ARG . 1 175 GLU . 1 176 SER . 1 177 SER . 1 178 LEU . 1 179 LYS . 1 180 TYR . 1 181 GLN . 1 182 THR . 1 183 ARG . 1 184 CYS . 1 185 ILE . 1 186 ARG . 1 187 ALA . 1 188 PHE . 1 189 PRO . 1 190 ASN . 1 191 LYS . 1 192 GLN . 1 193 GLY . 1 194 TYR . 1 195 VAL . 1 196 LEU . 1 197 SER . 1 198 SER . 1 199 ILE . 1 200 GLU . 1 201 GLY . 1 202 ARG . 1 203 VAL . 1 204 ALA . 1 205 VAL . 1 206 GLU . 1 207 TYR . 1 208 LEU . 1 209 ASP . 1 210 PRO . 1 211 SER . 1 212 PRO . 1 213 GLU . 1 214 VAL . 1 215 GLN . 1 216 LYS . 1 217 LYS . 1 218 LYS . 1 219 TYR . 1 220 ALA . 1 221 PHE . 1 222 LYS . 1 223 CYS . 1 224 HIS . 1 225 ARG . 1 226 LEU . 1 227 LYS . 1 228 GLU . 1 229 ASN . 1 230 ASN . 1 231 ILE . 1 232 GLU . 1 233 GLN . 1 234 ILE . 1 235 TYR . 1 236 PRO . 1 237 VAL . 1 238 ASN . 1 239 ALA . 1 240 ILE . 1 241 SER . 1 242 PHE . 1 243 HIS . 1 244 ASN . 1 245 ILE . 1 246 HIS . 1 247 ASN . 1 248 THR . 1 249 PHE . 1 250 ALA . 1 251 THR . 1 252 GLY . 1 253 GLY . 1 254 SER . 1 255 ASP . 1 256 GLY . 1 257 PHE . 1 258 VAL . 1 259 ASN . 1 260 ILE . 1 261 TRP . 1 262 ASP . 1 263 PRO . 1 264 PHE . 1 265 ASN . 1 266 LYS . 1 267 LYS . 1 268 ARG . 1 269 LEU . 1 270 CYS . 1 271 GLN . 1 272 PHE . 1 273 HIS . 1 274 ARG . 1 275 TYR . 1 276 PRO . 1 277 THR . 1 278 SER . 1 279 ILE . 1 280 ALA . 1 281 SER . 1 282 LEU . 1 283 ALA . 1 284 PHE . 1 285 SER . 1 286 ASN . 1 287 ASP . 1 288 GLY . 1 289 THR . 1 290 THR . 1 291 LEU . 1 292 ALA . 1 293 ILE . 1 294 ALA . 1 295 SER . 1 296 SER . 1 297 TYR . 1 298 MET . 1 299 TYR . 1 300 GLU . 1 301 MET . 1 302 ASP . 1 303 ASP . 1 304 THR . 1 305 GLU . 1 306 HIS . 1 307 PRO . 1 308 GLU . 1 309 ASP . 1 310 GLY . 1 311 ILE . 1 312 PHE . 1 313 ILE . 1 314 ARG . 1 315 GLN . 1 316 VAL . 1 317 THR . 1 318 ASP . 1 319 ALA . 1 320 GLU . 1 321 THR . 1 322 LYS . 1 323 PRO . 1 324 LYS . 1 325 SER . 1 326 PRO . 1 327 CYS . 1 328 THR . 2 1 HIS . 2 2 ASP . 2 3 SER . 2 4 ASN . 2 5 TYR . 2 6 ALA . 2 7 LYS . 2 8 MET . 2 9 TYR . 2 10 CYS . 2 11 ASN . 2 12 PRO . 2 13 ASP . 2 14 ALA . 2 15 MET . 2 16 SER . 2 17 SER . 2 18 LEU . 2 19 THR . 2 20 GLU . 2 21 LYS . 2 22 THR . 2 23 ILE . 2 24 TYR . 2 25 SER . 2 26 GLY . 2 27 GLU . 2 28 GLU . 2 29 ASN . 2 30 MET . 2 31 ASP . 2 32 ILE . 2 33 THR . 2 34 LYS . 2 35 SER . 2 36 HIS . 2 37 THR . 2 38 VAL . 2 39 ALA . 2 40 ILE . 2 41 ASP . 2 42 ASN . 2 43 GLN . 2 44 ILE . 2 45 PHE . 2 46 LYS . 2 47 GLN . 2 48 ASP . 2 49 GLN . 2 50 SER . 2 51 ASN . 2 52 VAL . 2 53 GLN . 2 54 ILE . 2 55 ALA . 2 56 ALA . 2 57 ALA . 2 58 PRO . 2 59 THR . 2 60 PRO . 2 61 GLU . 2 62 LYS . 2 63 GLU . 2 64 MET . 2 65 MET . 2 66 LEU . 2 67 GLN . 2 68 ASN . 2 69 LEU . 2 70 MET . 2 71 THR . 2 72 THR . 2 73 SER . 2 74 GLU . 2 75 ASP . 2 76 GLY . 2 77 LYS . 2 78 MET . 2 79 ASN . 2 80 VAL . 2 81 ASN . 2 82 CYS . 2 83 ASN . 2 84 SER . 2 85 VAL . 2 86 PRO . 2 87 HIS . 2 88 VAL . 2 89 SER . 2 90 LYS . 2 91 GLU . 2 92 ARG . 2 93 ILE . 2 94 GLN . 2 95 GLN . 2 96 SER . 2 97 LEU . 2 98 SER . 2 99 ASN . 2 100 PRO . 2 101 LEU . 2 102 SER . 2 103 ILE . 2 104 SER . 2 105 LEU . 2 106 THR . 2 107 ASP . 2 108 ARG . 2 109 LYS . 2 110 THR . 2 111 GLU . 2 112 LEU . 2 113 LEU . 2 114 SER . 2 115 GLY . 2 116 GLU . 2 117 ASN . 2 118 MET . 2 119 ASP . 2 120 LEU . 2 121 THR . 2 122 GLU . 2 123 SER . 2 124 HIS . 2 125 THR . 2 126 SER . 2 127 ASN . 2 128 LEU . 2 129 GLY . 2 130 SER . 2 131 GLN . 2 132 VAL . 2 133 PRO . 2 134 LEU . 2 135 ALA . 2 136 ALA . 2 137 TYR . 2 138 ASN . 2 139 LEU . 2 140 ALA . 2 141 PRO . 2 142 GLU . 2 143 SER . 2 144 THR . 2 145 SER . 2 146 GLU . 2 147 SER . 2 148 HIS . 2 149 SER . 2 150 GLN . 2 151 SER . 2 152 LYS . 2 153 SER . 2 154 SER . 2 155 SER . 2 156 ASP . 2 157 GLU . 2 158 CYS . 2 159 GLU . 2 160 GLU . 2 161 ILE . 2 162 THR . 2 163 LYS . 2 164 SER . 2 165 ARG . 2 166 ASN . 2 167 GLU . 2 168 PRO . 2 169 PHE . 2 170 GLN . 2 171 ARG . 2 172 SER . 2 173 ASP . 2 174 ILE . 2 175 ILE . 2 176 ALA . 2 177 LYS . 2 178 ASN . 2 179 SER . 2 180 LEU . 2 181 THR . 2 182 ASP . 2 183 THR . 2 184 TRP . 2 185 ASN . 2 186 LYS . 2 187 ASP . 2 188 LYS . 2 189 ASP . 2 190 TRP . 2 191 VAL . 2 192 LEU . 2 193 LYS . 2 194 ILE . 2 195 LEU . 2 196 PRO . 2 197 TYR . 2 198 LEU . 2 199 ASP . 2 200 LYS . 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 THR 2 2 THR THR A . A 1 3 GLY 3 3 GLY GLY A . A 1 4 SER 4 4 SER SER A . A 1 5 ASN 5 5 ASN ASN A . A 1 6 GLU 6 6 GLU GLU A . A 1 7 PHE 7 7 PHE PHE A . A 1 8 LYS 8 8 LYS LYS A . A 1 9 LEU 9 9 LEU LEU A . A 1 10 ASN 10 10 ASN ASN A . A 1 11 GLN 11 11 GLN GLN A . A 1 12 PRO 12 12 PRO PRO A . A 1 13 PRO 13 13 PRO PRO A . A 1 14 GLU 14 14 GLU GLU A . A 1 15 ASP 15 15 ASP ASP A . A 1 16 GLY 16 16 GLY GLY A . A 1 17 ILE 17 17 ILE ILE A . A 1 18 SER 18 18 SER SER A . A 1 19 SER 19 19 SER SER A . A 1 20 VAL 20 20 VAL VAL A . A 1 21 LYS 21 21 LYS LYS A . A 1 22 PHE 22 22 PHE PHE A . A 1 23 SER 23 23 SER SER A . A 1 24 PRO 24 24 PRO PRO A . A 1 25 ASN 25 25 ASN ASN A . A 1 26 THR 26 26 THR THR A . A 1 27 SER 27 27 SER SER A . A 1 28 GLN 28 28 GLN GLN A . A 1 29 PHE 29 29 PHE PHE A . A 1 30 LEU 30 30 LEU LEU A . A 1 31 LEU 31 31 LEU LEU A . A 1 32 VAL 32 32 VAL VAL A . A 1 33 SER 33 33 SER SER A . A 1 34 SER 34 34 SER SER A . A 1 35 TRP 35 35 TRP TRP A . A 1 36 ASP 36 36 ASP ASP A . A 1 37 THR 37 37 THR THR A . A 1 38 SER 38 38 SER SER A . A 1 39 VAL 39 39 VAL VAL A . A 1 40 ARG 40 40 ARG ARG A . A 1 41 LEU 41 41 LEU LEU A . A 1 42 TYR 42 42 TYR TYR A . A 1 43 ASP 43 43 ASP ASP A . A 1 44 VAL 44 44 VAL VAL A . A 1 45 PRO 45 45 PRO PRO A . A 1 46 ALA 46 46 ALA ALA A . A 1 47 ASN 47 47 ASN ASN A . A 1 48 SER 48 48 SER SER A . A 1 49 MET 49 49 MET MET A . A 1 50 ARG 50 50 ARG ARG A . A 1 51 LEU 51 51 LEU LEU A . A 1 52 LYS 52 52 LYS LYS A . A 1 53 TYR 53 53 TYR TYR A . A 1 54 GLN 54 54 GLN GLN A . A 1 55 HIS 55 55 HIS HIS A . A 1 56 THR 56 56 THR THR A . A 1 57 GLY 57 57 GLY GLY A . A 1 58 ALA 58 58 ALA ALA A . A 1 59 VAL 59 59 VAL VAL A . A 1 60 LEU 60 60 LEU LEU A . A 1 61 ASP 61 61 ASP ASP A . A 1 62 CYS 62 62 CYS CYS A . A 1 63 ALA 63 63 ALA ALA A . A 1 64 PHE 64 64 PHE PHE A . A 1 65 TYR 65 65 TYR TYR A . A 1 66 ASP 66 66 ASP ASP A . A 1 67 PRO 67 67 PRO PRO A . A 1 68 THR 68 68 THR THR A . A 1 69 HIS 69 69 HIS HIS A . A 1 70 ALA 70 70 ALA ALA A . A 1 71 TRP 71 71 TRP TRP A . A 1 72 SER 72 72 SER SER A . A 1 73 GLY 73 73 GLY GLY A . A 1 74 GLY 74 74 GLY GLY A . A 1 75 LEU 75 75 LEU LEU A . A 1 76 ASP 76 76 ASP ASP A . A 1 77 HIS 77 77 HIS HIS A . A 1 78 GLN 78 78 GLN GLN A . A 1 79 LEU 79 79 LEU LEU A . A 1 80 LYS 80 80 LYS LYS A . A 1 81 MET 81 81 MET MET A . A 1 82 HIS 82 82 HIS HIS A . A 1 83 ASP 83 83 ASP ASP A . A 1 84 LEU 84 84 LEU LEU A . A 1 85 ASN 85 85 ASN ASN A . A 1 86 THR 86 86 THR THR A . A 1 87 ASP 87 87 ASP ASP A . A 1 88 GLN 88 88 GLN GLN A . A 1 89 GLU 89 89 GLU GLU A . A 1 90 ASN 90 90 ASN ASN A . A 1 91 LEU 91 91 LEU LEU A . A 1 92 VAL 92 92 VAL VAL A . A 1 93 GLY 93 93 GLY GLY A . A 1 94 THR 94 94 THR THR A . A 1 95 HIS 95 95 HIS HIS A . A 1 96 ASP 96 96 ASP ASP A . A 1 97 ALA 97 97 ALA ALA A . A 1 98 PRO 98 98 PRO PRO A . A 1 99 ILE 99 99 ILE ILE A . A 1 100 ARG 100 100 ARG ARG A . A 1 101 CYS 101 101 CYS CYS A . A 1 102 VAL 102 102 VAL VAL A . A 1 103 GLU 103 103 GLU GLU A . A 1 104 TYR 104 104 TYR TYR A . A 1 105 CYS 105 105 CYS CYS A . A 1 106 PRO 106 106 PRO PRO A . A 1 107 GLU 107 107 GLU GLU A . A 1 108 VAL 108 108 VAL VAL A . A 1 109 ASN 109 109 ASN ASN A . A 1 110 VAL 110 110 VAL VAL A . A 1 111 MET 111 111 MET MET A . A 1 112 VAL 112 112 VAL VAL A . A 1 113 THR 113 113 THR THR A . A 1 114 GLY 114 114 GLY GLY A . A 1 115 SER 115 115 SER SER A . A 1 116 TRP 116 116 TRP TRP A . A 1 117 ASP 117 117 ASP ASP A . A 1 118 GLN 118 118 GLN GLN A . A 1 119 THR 119 119 THR THR A . A 1 120 VAL 120 120 VAL VAL A . A 1 121 LYS 121 121 LYS LYS A . A 1 122 LEU 122 122 LEU LEU A . A 1 123 TRP 123 123 TRP TRP A . A 1 124 ASP 124 124 ASP ASP A . A 1 125 PRO 125 125 PRO PRO A . A 1 126 ARG 126 126 ARG ARG A . A 1 127 THR 127 127 THR THR A . A 1 128 PRO 128 128 PRO PRO A . A 1 129 CYS 129 129 CYS CYS A . A 1 130 ASN 130 130 ASN ASN A . A 1 131 ALA 131 131 ALA ALA A . A 1 132 GLY 132 132 GLY GLY A . A 1 133 THR 133 133 THR THR A . A 1 134 PHE 134 134 PHE PHE A . A 1 135 SER 135 135 SER SER A . A 1 136 GLN 136 136 GLN GLN A . A 1 137 PRO 137 137 PRO PRO A . A 1 138 GLU 138 138 GLU GLU A . A 1 139 LYS 139 139 LYS LYS A . A 1 140 VAL 140 140 VAL VAL A . A 1 141 TYR 141 141 TYR TYR A . A 1 142 THR 142 142 THR THR A . A 1 143 LEU 143 143 LEU LEU A . A 1 144 SER 144 144 SER SER A . A 1 145 VAL 145 145 VAL VAL A . A 1 146 SER 146 146 SER SER A . A 1 147 GLY 147 147 GLY GLY A . A 1 148 ASP 148 148 ASP ASP A . A 1 149 ARG 149 149 ARG ARG A . A 1 150 LEU 150 150 LEU LEU A . A 1 151 ILE 151 151 ILE ILE A . A 1 152 VAL 152 152 VAL VAL A . A 1 153 GLY 153 153 GLY GLY A . A 1 154 THR 154 154 THR THR A . A 1 155 ALA 155 155 ALA ALA A . A 1 156 GLY 156 156 GLY GLY A . A 1 157 ARG 157 157 ARG ARG A . A 1 158 ARG 158 158 ARG ARG A . A 1 159 VAL 159 159 VAL VAL A . A 1 160 LEU 160 160 LEU LEU A . A 1 161 VAL 161 161 VAL VAL A . A 1 162 TRP 162 162 TRP TRP A . A 1 163 ASP 163 163 ASP ASP A . A 1 164 LEU 164 164 LEU LEU A . A 1 165 ARG 165 165 ARG ARG A . A 1 166 ASN 166 166 ASN ASN A . A 1 167 MET 167 167 MET MET A . A 1 168 GLY 168 168 GLY GLY A . A 1 169 TYR 169 169 TYR TYR A . A 1 170 VAL 170 170 VAL VAL A . A 1 171 GLN 171 171 GLN GLN A . A 1 172 GLN 172 172 GLN GLN A . A 1 173 ARG 173 173 ARG ARG A . A 1 174 ARG 174 174 ARG ARG A . A 1 175 GLU 175 175 GLU GLU A . A 1 176 SER 176 176 SER SER A . A 1 177 SER 177 177 SER SER A . A 1 178 LEU 178 178 LEU LEU A . A 1 179 LYS 179 179 LYS LYS A . A 1 180 TYR 180 180 TYR TYR A . A 1 181 GLN 181 181 GLN GLN A . A 1 182 THR 182 182 THR THR A . A 1 183 ARG 183 183 ARG ARG A . A 1 184 CYS 184 184 CYS CYS A . A 1 185 ILE 185 185 ILE ILE A . A 1 186 ARG 186 186 ARG ARG A . A 1 187 ALA 187 187 ALA ALA A . A 1 188 PHE 188 188 PHE PHE A . A 1 189 PRO 189 189 PRO PRO A . A 1 190 ASN 190 190 ASN ASN A . A 1 191 LYS 191 191 LYS LYS A . A 1 192 GLN 192 192 GLN GLN A . A 1 193 GLY 193 193 GLY GLY A . A 1 194 TYR 194 194 TYR TYR A . A 1 195 VAL 195 195 VAL VAL A . A 1 196 LEU 196 196 LEU LEU A . A 1 197 SER 197 197 SER SER A . A 1 198 SER 198 198 SER SER A . A 1 199 ILE 199 199 ILE ILE A . A 1 200 GLU 200 200 GLU GLU A . A 1 201 GLY 201 201 GLY GLY A . A 1 202 ARG 202 202 ARG ARG A . A 1 203 VAL 203 203 VAL VAL A . A 1 204 ALA 204 204 ALA ALA A . A 1 205 VAL 205 205 VAL VAL A . A 1 206 GLU 206 206 GLU GLU A . A 1 207 TYR 207 207 TYR TYR A . A 1 208 LEU 208 208 LEU LEU A . A 1 209 ASP 209 209 ASP ASP A . A 1 210 PRO 210 210 PRO PRO A . A 1 211 SER 211 211 SER SER A . A 1 212 PRO 212 212 PRO PRO A . A 1 213 GLU 213 213 GLU GLU A . A 1 214 VAL 214 214 VAL VAL A . A 1 215 GLN 215 215 GLN GLN A . A 1 216 LYS 216 216 LYS LYS A . A 1 217 LYS 217 217 LYS LYS A . A 1 218 LYS 218 218 LYS LYS A . A 1 219 TYR 219 219 TYR TYR A . A 1 220 ALA 220 220 ALA ALA A . A 1 221 PHE 221 221 PHE PHE A . A 1 222 LYS 222 222 LYS LYS A . A 1 223 CYS 223 223 CYS CYS A . A 1 224 HIS 224 224 HIS HIS A . A 1 225 ARG 225 225 ARG ARG A . A 1 226 LEU 226 226 LEU LEU A . A 1 227 LYS 227 227 LYS LYS A . A 1 228 GLU 228 228 GLU GLU A . A 1 229 ASN 229 229 ASN ASN A . A 1 230 ASN 230 230 ASN ASN A . A 1 231 ILE 231 231 ILE ILE A . A 1 232 GLU 232 232 GLU GLU A . A 1 233 GLN 233 233 GLN GLN A . A 1 234 ILE 234 234 ILE ILE A . A 1 235 TYR 235 235 TYR TYR A . A 1 236 PRO 236 236 PRO PRO A . A 1 237 VAL 237 237 VAL VAL A . A 1 238 ASN 238 238 ASN ASN A . A 1 239 ALA 239 239 ALA ALA A . A 1 240 ILE 240 240 ILE ILE A . A 1 241 SER 241 241 SER SER A . A 1 242 PHE 242 242 PHE PHE A . A 1 243 HIS 243 243 HIS HIS A . A 1 244 ASN 244 244 ASN ASN A . A 1 245 ILE 245 245 ILE ILE A . A 1 246 HIS 246 246 HIS HIS A . A 1 247 ASN 247 247 ASN ASN A . A 1 248 THR 248 248 THR THR A . A 1 249 PHE 249 249 PHE PHE A . A 1 250 ALA 250 250 ALA ALA A . A 1 251 THR 251 251 THR THR A . A 1 252 GLY 252 252 GLY GLY A . A 1 253 GLY 253 253 GLY GLY A . A 1 254 SER 254 254 SER SER A . A 1 255 ASP 255 255 ASP ASP A . A 1 256 GLY 256 256 GLY GLY A . A 1 257 PHE 257 257 PHE PHE A . A 1 258 VAL 258 258 VAL VAL A . A 1 259 ASN 259 259 ASN ASN A . A 1 260 ILE 260 260 ILE ILE A . A 1 261 TRP 261 261 TRP TRP A . A 1 262 ASP 262 262 ASP ASP A . A 1 263 PRO 263 263 PRO PRO A . A 1 264 PHE 264 264 PHE PHE A . A 1 265 ASN 265 265 ASN ASN A . A 1 266 LYS 266 266 LYS LYS A . A 1 267 LYS 267 267 LYS LYS A . A 1 268 ARG 268 268 ARG ARG A . A 1 269 LEU 269 269 LEU LEU A . A 1 270 CYS 270 270 CYS CYS A . A 1 271 GLN 271 271 GLN GLN A . A 1 272 PHE 272 272 PHE PHE A . A 1 273 HIS 273 273 HIS HIS A . A 1 274 ARG 274 274 ARG ARG A . A 1 275 TYR 275 275 TYR TYR A . A 1 276 PRO 276 276 PRO PRO A . A 1 277 THR 277 277 THR THR A . A 1 278 SER 278 278 SER SER A . A 1 279 ILE 279 279 ILE ILE A . A 1 280 ALA 280 280 ALA ALA A . A 1 281 SER 281 281 SER SER A . A 1 282 LEU 282 282 LEU LEU A . A 1 283 ALA 283 283 ALA ALA A . A 1 284 PHE 284 284 PHE PHE A . A 1 285 SER 285 285 SER SER A . A 1 286 ASN 286 286 ASN ASN A . A 1 287 ASP 287 287 ASP ASP A . A 1 288 GLY 288 288 GLY GLY A . A 1 289 THR 289 289 THR THR A . A 1 290 THR 290 290 THR THR A . A 1 291 LEU 291 291 LEU LEU A . A 1 292 ALA 292 292 ALA ALA A . A 1 293 ILE 293 293 ILE ILE A . A 1 294 ALA 294 294 ALA ALA A . A 1 295 SER 295 295 SER SER A . A 1 296 SER 296 296 SER SER A . A 1 297 TYR 297 297 TYR TYR A . A 1 298 MET 298 298 MET MET A . A 1 299 TYR 299 299 TYR TYR A . A 1 300 GLU 300 300 GLU GLU A . A 1 301 MET 301 301 MET MET A . A 1 302 ASP 302 302 ASP ASP A . A 1 303 ASP 303 303 ASP ASP A . A 1 304 THR 304 304 THR THR A . A 1 305 GLU 305 305 GLU GLU A . A 1 306 HIS 306 306 HIS HIS A . A 1 307 PRO 307 307 PRO PRO A . A 1 308 GLU 308 308 GLU GLU A . A 1 309 ASP 309 309 ASP ASP A . A 1 310 GLY 310 310 GLY GLY A . A 1 311 ILE 311 311 ILE ILE A . A 1 312 PHE 312 312 PHE PHE A . A 1 313 ILE 313 313 ILE ILE A . A 1 314 ARG 314 314 ARG ARG A . A 1 315 GLN 315 315 GLN GLN A . A 1 316 VAL 316 316 VAL VAL A . A 1 317 THR 317 317 THR THR A . A 1 318 ASP 318 318 ASP ASP A . A 1 319 ALA 319 319 ALA ALA A . A 1 320 GLU 320 320 GLU GLU A . A 1 321 THR 321 321 THR THR A . A 1 322 LYS 322 322 LYS LYS A . A 1 323 PRO 323 323 PRO PRO A . A 1 324 LYS 324 324 LYS LYS A . A 1 325 SER 325 325 SER SER A . A 1 326 PRO 326 326 PRO PRO A . A 1 327 CYS 327 327 CYS CYS A . A 1 328 THR 328 328 THR THR A . B 2 1 HIS 481 481 HIS HIS B . B 2 2 ASP 482 482 ASP ASP B . B 2 3 SER 483 483 SER SER B . B 2 4 ASN 484 484 ASN ASN B . B 2 5 TYR 485 485 TYR TYR B . B 2 6 ALA 486 486 ALA ALA B . B 2 7 LYS 487 487 LYS LYS B . B 2 8 MET 488 488 MET MET B . B 2 9 TYR 489 489 TYR TYR B . B 2 10 CYS 490 490 CYS CYS B . B 2 11 ASN 491 491 ASN ASN B . B 2 12 PRO 492 492 PRO PRO B . B 2 13 ASP 493 493 ASP ASP B . B 2 14 ALA 494 494 ALA ALA B . B 2 15 MET 495 495 MET MET B . B 2 16 SER 496 496 SER SER B . B 2 17 SER 497 497 SER SER B . B 2 18 LEU 498 498 LEU LEU B . B 2 19 THR 499 499 THR THR B . B 2 20 GLU 500 500 GLU GLU B . B 2 21 LYS 501 501 LYS LYS B . B 2 22 THR 502 502 THR THR B . B 2 23 ILE 503 503 ILE ILE B . B 2 24 TYR 504 504 TYR TYR B . B 2 25 SER 505 505 SER SER B . B 2 26 GLY 506 506 GLY GLY B . B 2 27 GLU 507 507 GLU GLU B . B 2 28 GLU 508 508 GLU GLU B . B 2 29 ASN 509 509 ASN ASN B . B 2 30 MET 510 510 MET MET B . B 2 31 ASP 511 511 ASP ASP B . B 2 32 ILE 512 512 ILE ILE B . B 2 33 THR 513 513 THR THR B . B 2 34 LYS 514 514 LYS LYS B . B 2 35 SER 515 515 SER SER B . B 2 36 HIS 516 516 HIS HIS B . B 2 37 THR 517 517 THR THR B . B 2 38 VAL 518 518 VAL VAL B . B 2 39 ALA 519 519 ALA ALA B . B 2 40 ILE 520 520 ILE ILE B . B 2 41 ASP 521 521 ASP ASP B . B 2 42 ASN 522 522 ASN ASN B . B 2 43 GLN 523 523 GLN GLN B . B 2 44 ILE 524 524 ILE ILE B . B 2 45 PHE 525 525 PHE PHE B . B 2 46 LYS 526 526 LYS LYS B . B 2 47 GLN 527 527 GLN GLN B . B 2 48 ASP 528 528 ASP ASP B . B 2 49 GLN 529 529 GLN GLN B . B 2 50 SER 530 530 SER SER B . B 2 51 ASN 531 531 ASN ASN B . B 2 52 VAL 532 532 VAL VAL B . B 2 53 GLN 533 533 GLN GLN B . B 2 54 ILE 534 534 ILE ILE B . B 2 55 ALA 535 535 ALA ALA B . B 2 56 ALA 536 536 ALA ALA B . B 2 57 ALA 537 537 ALA ALA B . B 2 58 PRO 538 538 PRO PRO B . B 2 59 THR 539 539 THR THR B . B 2 60 PRO 540 540 PRO PRO B . B 2 61 GLU 541 541 GLU GLU B . B 2 62 LYS 542 542 LYS LYS B . B 2 63 GLU 543 543 GLU GLU B . B 2 64 MET 544 544 MET MET B . B 2 65 MET 545 545 MET MET B . B 2 66 LEU 546 546 LEU LEU B . B 2 67 GLN 547 547 GLN GLN B . B 2 68 ASN 548 548 ASN ASN B . B 2 69 LEU 549 549 LEU LEU B . B 2 70 MET 550 550 MET MET B . B 2 71 THR 551 551 THR THR B . B 2 72 THR 552 552 THR THR B . B 2 73 SER 553 553 SER SER B . B 2 74 GLU 554 554 GLU GLU B . B 2 75 ASP 555 555 ASP ASP B . B 2 76 GLY 556 556 GLY GLY B . B 2 77 LYS 557 557 LYS LYS B . B 2 78 MET 558 558 MET MET B . B 2 79 ASN 559 559 ASN ASN B . B 2 80 VAL 560 560 VAL VAL B . B 2 81 ASN 561 561 ASN ASN B . B 2 82 CYS 562 562 CYS CYS B . B 2 83 ASN 563 563 ASN ASN B . B 2 84 SER 564 564 SER SER B . B 2 85 VAL 565 565 VAL VAL B . B 2 86 PRO 566 566 PRO PRO B . B 2 87 HIS 567 567 HIS HIS B . B 2 88 VAL 568 568 VAL VAL B . B 2 89 SER 569 569 SER SER B . B 2 90 LYS 570 570 LYS LYS B . B 2 91 GLU 571 571 GLU GLU B . B 2 92 ARG 572 572 ARG ARG B . B 2 93 ILE 573 573 ILE ILE B . B 2 94 GLN 574 574 GLN GLN B . B 2 95 GLN 575 575 GLN GLN B . B 2 96 SER 576 576 SER SER B . B 2 97 LEU 577 577 LEU LEU B . B 2 98 SER 578 578 SER SER B . B 2 99 ASN 579 579 ASN ASN B . B 2 100 PRO 580 580 PRO PRO B . B 2 101 LEU 581 581 LEU LEU B . B 2 102 SER 582 582 SER SER B . B 2 103 ILE 583 583 ILE ILE B . B 2 104 SER 584 584 SER SER B . B 2 105 LEU 585 585 LEU LEU B . B 2 106 THR 586 586 THR THR B . B 2 107 ASP 587 587 ASP ASP B . B 2 108 ARG 588 588 ARG ARG B . B 2 109 LYS 589 589 LYS LYS B . B 2 110 THR 590 590 THR THR B . B 2 111 GLU 591 591 GLU GLU B . B 2 112 LEU 592 592 LEU LEU B . B 2 113 LEU 593 593 LEU LEU B . B 2 114 SER 594 594 SER SER B . B 2 115 GLY 595 595 GLY GLY B . B 2 116 GLU 596 596 GLU GLU B . B 2 117 ASN 597 597 ASN ASN B . B 2 118 MET 598 598 MET MET B . B 2 119 ASP 599 599 ASP ASP B . B 2 120 LEU 600 600 LEU LEU B . B 2 121 THR 601 601 THR THR B . B 2 122 GLU 602 602 GLU GLU B . B 2 123 SER 603 603 SER SER B . B 2 124 HIS 604 604 HIS HIS B . B 2 125 THR 605 605 THR THR B . B 2 126 SER 606 606 SER SER B . B 2 127 ASN 607 607 ASN ASN B . B 2 128 LEU 608 608 LEU LEU B . B 2 129 GLY 609 609 GLY GLY B . B 2 130 SER 610 610 SER SER B . B 2 131 GLN 611 611 GLN GLN B . B 2 132 VAL 612 612 VAL VAL B . B 2 133 PRO 613 613 PRO PRO B . B 2 134 LEU 614 614 LEU LEU B . B 2 135 ALA 615 615 ALA ALA B . B 2 136 ALA 616 616 ALA ALA B . B 2 137 TYR 617 617 TYR TYR B . B 2 138 ASN 618 618 ASN ASN B . B 2 139 LEU 619 619 LEU LEU B . B 2 140 ALA 620 620 ALA ALA B . B 2 141 PRO 621 621 PRO PRO B . B 2 142 GLU 622 622 GLU GLU B . B 2 143 SER 623 623 SER SER B . B 2 144 THR 624 624 THR THR B . B 2 145 SER 625 625 SER SER B . B 2 146 GLU 626 626 GLU GLU B . B 2 147 SER 627 627 SER SER B . B 2 148 HIS 628 628 HIS HIS B . B 2 149 SER 629 629 SER SER B . B 2 150 GLN 630 630 GLN GLN B . B 2 151 SER 631 631 SER SER B . B 2 152 LYS 632 632 LYS LYS B . B 2 153 SER 633 633 SER SER B . B 2 154 SER 634 634 SER SER B . B 2 155 SER 635 635 SER SER B . B 2 156 ASP 636 636 ASP ASP B . B 2 157 GLU 637 637 GLU GLU B . B 2 158 CYS 638 638 CYS CYS B . B 2 159 GLU 639 639 GLU GLU B . B 2 160 GLU 640 640 GLU GLU B . B 2 161 ILE 641 641 ILE ILE B . B 2 162 THR 642 642 THR THR B . B 2 163 LYS 643 643 LYS LYS B . B 2 164 SER 644 644 SER SER B . B 2 165 ARG 645 645 ARG ARG B . B 2 166 ASN 646 646 ASN ASN B . B 2 167 GLU 647 647 GLU GLU B . B 2 168 PRO 648 648 PRO PRO B . B 2 169 PHE 649 649 PHE PHE B . B 2 170 GLN 650 650 GLN GLN B . B 2 171 ARG 651 651 ARG ARG B . B 2 172 SER 652 652 SER SER B . B 2 173 ASP 653 653 ASP ASP B . B 2 174 ILE 654 654 ILE ILE B . B 2 175 ILE 655 655 ILE ILE B . B 2 176 ALA 656 656 ALA ALA B . B 2 177 LYS 657 657 LYS LYS B . B 2 178 ASN 658 658 ASN ASN B . B 2 179 SER 659 659 SER SER B . B 2 180 LEU 660 660 LEU LEU B . B 2 181 THR 661 661 THR THR B . B 2 182 ASP 662 662 ASP ASP B . B 2 183 THR 663 663 THR THR B . B 2 184 TRP 664 664 TRP TRP B . B 2 185 ASN 665 665 ASN ASN B . B 2 186 LYS 666 666 LYS LYS B . B 2 187 ASP 667 667 ASP ASP B . B 2 188 LYS 668 668 LYS LYS B . B 2 189 ASP 669 669 ASP ASP B . B 2 190 TRP 670 670 TRP TRP B . B 2 191 VAL 671 671 VAL VAL B . B 2 192 LEU 672 672 LEU LEU B . B 2 193 LYS 673 673 LYS LYS B . B 2 194 ILE 674 674 ILE ILE B . B 2 195 LEU 675 675 LEU LEU B . B 2 196 PRO 676 676 PRO PRO B . B 2 197 TYR 677 677 TYR TYR B . B 2 198 LEU 678 678 LEU LEU B . B 2 199 ASP 679 679 ASP ASP B . B 2 200 LYS 680 680 LYS LYS B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) BUB3 (O43684; 1 - 328)' target 2 'Homo sapiens (Human) KNL1 (Q8NG31; 481 - 680)' 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 10.666 -25.877 -22.847 1.000 1 A 32.370 1 ATOM 2 C CA . MET 1 1 ? A 10.620 -24.449 -23.148 1.000 1 A 32.370 1 ATOM 3 C C . MET 1 1 ? A 10.107 -23.657 -21.950 1.000 1 A 32.370 1 ATOM 4 O O . MET 1 1 ? A 8.939 -23.773 -21.578 1.000 1 A 32.370 1 ATOM 5 C CB . MET 1 1 ? A 9.736 -24.184 -24.368 1.000 1 A 32.370 1 ATOM 6 C CG . MET 1 1 ? A 10.458 -24.346 -25.695 1.000 1 A 32.370 1 ATOM 7 S SD . MET 1 1 ? A 9.808 -23.221 -26.991 1.000 1 A 32.370 1 ATOM 8 C CE . MET 1 1 ? A 10.019 -24.267 -28.458 1.000 1 A 32.370 1 ATOM 9 N N . THR 2 2 ? A 10.660 -23.624 -20.681 1.000 1 A 37.732 1 ATOM 10 C CA . THR 2 2 ? A 10.198 -23.099 -19.400 1.000 1 A 37.732 1 ATOM 11 C C . THR 2 2 ? A 10.211 -21.573 -19.404 1.000 1 A 37.732 1 ATOM 12 O O . THR 2 2 ? A 11.278 -20.956 -19.387 1.000 1 A 37.732 1 ATOM 13 C CB . THR 2 2 ? A 11.065 -23.619 -18.238 1.000 1 A 37.732 1 ATOM 14 O OG1 . THR 2 2 ? A 12.443 -23.342 -18.516 1.000 1 A 37.732 1 ATOM 15 C CG2 . THR 2 2 ? A 10.889 -25.123 -18.051 1.000 1 A 37.732 1 ATOM 16 N N . GLY 3 3 ? A 9.783 -20.941 -20.564 1.000 1 A 46.875 1 ATOM 17 C CA . GLY 3 3 ? A 9.596 -19.500 -20.602 1.000 1 A 46.875 1 ATOM 18 C C . GLY 3 3 ? A 9.094 -18.928 -19.290 1.000 1 A 46.875 1 ATOM 19 O O . GLY 3 3 ? A 8.145 -19.450 -18.702 1.000 1 A 46.875 1 ATOM 20 N N . SER 4 4 ? A 9.844 -18.886 -18.251 1.000 1 A 66.481 1 ATOM 21 C CA . SER 4 4 ? A 9.528 -18.348 -16.931 1.000 1 A 66.481 1 ATOM 22 C C . SER 4 4 ? A 8.397 -17.327 -17.006 1.000 1 A 66.481 1 ATOM 23 O O . SER 4 4 ? A 8.371 -16.487 -17.908 1.000 1 A 66.481 1 ATOM 24 C CB . SER 4 4 ? A 10.765 -17.706 -16.303 1.000 1 A 66.481 1 ATOM 25 O OG . SER 4 4 ? A 11.217 -16.614 -17.086 1.000 1 A 66.481 1 ATOM 26 N N . ASN 5 5 ? A 7.001 -17.646 -16.963 1.000 1 A 90.655 1 ATOM 27 C CA . ASN 5 5 ? A 5.817 -16.806 -16.818 1.000 1 A 90.655 1 ATOM 28 C C . ASN 5 5 ? A 6.115 -15.556 -15.995 1.000 1 A 90.655 1 ATOM 29 O O . ASN 5 5 ? A 5.195 -14.869 -15.546 1.000 1 A 90.655 1 ATOM 30 C CB . ASN 5 5 ? A 4.671 -17.597 -16.185 1.000 1 A 90.655 1 ATOM 31 C CG . ASN 5 5 ? A 4.119 -18.666 -17.108 1.000 1 A 90.655 1 ATOM 32 O OD1 . ASN 5 5 ? A 4.178 -18.536 -18.333 1.000 1 A 90.655 1 ATOM 33 N ND2 . ASN 5 5 ? A 3.580 -19.731 -16.527 1.000 1 A 90.655 1 ATOM 34 N N . GLU 6 6 ? A 7.437 -15.257 -15.928 1.000 1 A 95.251 1 ATOM 35 C CA . GLU 6 6 ? A 7.838 -14.141 -15.076 1.000 1 A 95.251 1 ATOM 36 C C . GLU 6 6 ? A 9.043 -13.407 -15.658 1.000 1 A 95.251 1 ATOM 37 O O . GLU 6 6 ? A 9.931 -14.029 -16.243 1.000 1 A 95.251 1 ATOM 38 C CB . GLU 6 6 ? A 8.153 -14.631 -13.661 1.000 1 A 95.251 1 ATOM 39 C CG . GLU 6 6 ? A 8.578 -13.524 -12.707 1.000 1 A 95.251 1 ATOM 40 C CD . GLU 6 6 ? A 8.885 -14.025 -11.305 1.000 1 A 95.251 1 ATOM 41 O OE1 . GLU 6 6 ? A 10.067 -14.311 -11.007 1.000 1 A 95.251 1 ATOM 42 O OE2 . GLU 6 6 ? A 7.935 -14.133 -10.497 1.000 1 A 95.251 1 ATOM 43 N N . PHE 7 7 ? A 9.050 -12.108 -15.529 1.000 1 A 96.870 1 ATOM 44 C CA . PHE 7 7 ? A 10.220 -11.341 -15.940 1.000 1 A 96.870 1 ATOM 45 C C . PHE 7 7 ? A 10.424 -10.136 -15.030 1.000 1 A 96.870 1 ATOM 46 O O . PHE 7 7 ? A 9.495 -9.705 -14.343 1.000 1 A 96.870 1 ATOM 47 C CB . PHE 7 7 ? A 10.079 -10.882 -17.395 1.000 1 A 96.870 1 ATOM 48 C CG . PHE 7 7 ? A 8.983 -9.874 -17.610 1.000 1 A 96.870 1 ATOM 49 C CD1 . PHE 7 7 ? A 7.676 -10.286 -17.841 1.000 1 A 96.870 1 ATOM 50 C CD2 . PHE 7 7 ? A 9.259 -8.513 -17.582 1.000 1 A 96.870 1 ATOM 51 C CE1 . PHE 7 7 ? A 6.659 -9.355 -18.040 1.000 1 A 96.870 1 ATOM 52 C CE2 . PHE 7 7 ? A 8.249 -7.577 -17.781 1.000 1 A 96.870 1 ATOM 53 C CZ . PHE 7 7 ? A 6.950 -8.000 -18.011 1.000 1 A 96.870 1 ATOM 54 N N . LYS 8 8 ? A 11.657 -9.662 -14.935 1.000 1 A 97.403 1 ATOM 55 C CA . LYS 8 8 ? A 12.044 -8.498 -14.142 1.000 1 A 97.403 1 ATOM 56 C C . LYS 8 8 ? A 11.988 -7.221 -14.975 1.000 1 A 97.403 1 ATOM 57 O O . LYS 8 8 ? A 12.500 -7.182 -16.096 1.000 1 A 97.403 1 ATOM 58 C CB . LYS 8 8 ? A 13.447 -8.686 -13.563 1.000 1 A 97.403 1 ATOM 59 C CG . LYS 8 8 ? A 13.905 -7.544 -12.668 1.000 1 A 97.403 1 ATOM 60 C CD . LYS 8 8 ? A 15.319 -7.771 -12.151 1.000 1 A 97.403 1 ATOM 61 C CE . LYS 8 8 ? A 15.802 -6.600 -11.306 1.000 1 A 97.403 1 ATOM 62 N NZ . LYS 8 8 ? A 17.174 -6.835 -10.765 1.000 1 A 97.403 1 ATOM 63 N N . LEU 9 9 ? A 11.289 -6.177 -14.467 1.000 1 A 97.568 1 ATOM 64 C CA . LEU 9 9 ? A 11.192 -4.903 -15.170 1.000 1 A 97.568 1 ATOM 65 C C . LEU 9 9 ? A 12.553 -4.218 -15.243 1.000 1 A 97.568 1 ATOM 66 O O . LEU 9 9 ? A 13.310 -4.228 -14.271 1.000 1 A 97.568 1 ATOM 67 C CB . LEU 9 9 ? A 10.182 -3.984 -14.479 1.000 1 A 97.568 1 ATOM 68 C CG . LEU 9 9 ? A 8.706 -4.348 -14.651 1.000 1 A 97.568 1 ATOM 69 C CD1 . LEU 9 9 ? A 7.821 -3.306 -13.974 1.000 1 A 97.568 1 ATOM 70 C CD2 . LEU 9 9 ? A 8.355 -4.475 -16.129 1.000 1 A 97.568 1 ATOM 71 N N . ASN 10 10 ? A 12.879 -3.621 -16.420 1.000 1 A 96.334 1 ATOM 72 C CA . ASN 10 10 ? A 14.111 -2.858 -16.594 1.000 1 A 96.334 1 ATOM 73 C C . ASN 10 10 ? A 14.024 -1.493 -15.919 1.000 1 A 96.334 1 ATOM 74 O O . ASN 10 10 ? A 12.930 -1.013 -15.616 1.000 1 A 96.334 1 ATOM 75 C CB . ASN 10 10 ? A 14.436 -2.696 -18.080 1.000 1 A 96.334 1 ATOM 76 C CG . ASN 10 10 ? A 14.728 -4.018 -18.762 1.000 1 A 96.334 1 ATOM 77 O OD1 . ASN 10 10 ? A 15.195 -4.968 -18.128 1.000 1 A 96.334 1 ATOM 78 N ND2 . ASN 10 10 ? A 14.455 -4.090 -20.059 1.000 1 A 96.334 1 ATOM 79 N N . GLN 11 11 ? A 15.155 -0.951 -15.524 1.000 1 A 96.529 1 ATOM 80 C CA . GLN 11 11 ? A 15.268 0.386 -14.951 1.000 1 A 96.529 1 ATOM 81 C C . GLN 11 11 ? A 14.490 0.491 -13.642 1.000 1 A 96.529 1 ATOM 82 O O . GLN 11 11 ? A 13.601 1.334 -13.509 1.000 1 A 96.529 1 ATOM 83 C CB . GLN 11 11 ? A 14.773 1.440 -15.942 1.000 1 A 96.529 1 ATOM 84 C CG . GLN 11 11 ? A 15.584 1.502 -17.230 1.000 1 A 96.529 1 ATOM 85 C CD . GLN 11 11 ? A 15.032 2.507 -18.223 1.000 1 A 96.529 1 ATOM 86 O OE1 . GLN 11 11 ? A 14.968 3.708 -17.940 1.000 1 A 96.529 1 ATOM 87 N NE2 . GLN 11 11 ? A 14.628 2.025 -19.393 1.000 1 A 96.529 1 ATOM 88 N N . PRO 12 12 ? A 14.834 -0.458 -12.664 1.000 1 A 95.247 1 ATOM 89 C CA . PRO 12 12 ? A 14.174 -0.372 -11.359 1.000 1 A 95.247 1 ATOM 90 C C . PRO 12 12 ? A 14.562 0.885 -10.584 1.000 1 A 95.247 1 ATOM 91 O O . PRO 12 12 ? A 15.580 1.512 -10.887 1.000 1 A 95.247 1 ATOM 92 C CB . PRO 12 12 ? A 14.659 -1.631 -10.636 1.000 1 A 95.247 1 ATOM 93 C CG . PRO 12 12 ? A 16.028 -1.881 -11.180 1.000 1 A 95.247 1 ATOM 94 C CD . PRO 12 12 ? A 16.036 -1.516 -12.637 1.000 1 A 95.247 1 ATOM 95 N N . PRO 13 13 ? A 13.744 1.273 -9.638 1.000 1 A 96.420 1 ATOM 96 C CA . PRO 13 13 ? A 14.133 2.411 -8.803 1.000 1 A 96.420 1 ATOM 97 C C . PRO 13 13 ? A 15.507 2.231 -8.161 1.000 1 A 96.420 1 ATOM 98 O O . PRO 13 13 ? A 15.954 1.099 -7.960 1.000 1 A 96.420 1 ATOM 99 C CB . PRO 13 13 ? A 13.035 2.459 -7.738 1.000 1 A 96.420 1 ATOM 100 C CG . PRO 13 13 ? A 11.848 1.819 -8.384 1.000 1 A 96.420 1 ATOM 101 C CD . PRO 13 13 ? A 12.331 0.718 -9.284 1.000 1 A 96.420 1 ATOM 102 N N . GLU 14 14 ? A 16.159 3.335 -7.882 1.000 1 A 95.546 1 ATOM 103 C CA . GLU 14 14 ? A 17.535 3.337 -7.392 1.000 1 A 95.546 1 ATOM 104 C C . GLU 14 14 ? A 17.584 3.106 -5.884 1.000 1 A 95.546 1 ATOM 105 O O . GLU 14 14 ? A 18.661 2.918 -5.315 1.000 1 A 95.546 1 ATOM 106 C CB . GLU 14 14 ? A 18.230 4.655 -7.745 1.000 1 A 95.546 1 ATOM 107 C CG . GLU 14 14 ? A 18.435 4.860 -9.239 1.000 1 A 95.546 1 ATOM 108 C CD . GLU 14 14 ? A 19.051 6.208 -9.580 1.000 1 A 95.546 1 ATOM 109 O OE1 . GLU 14 14 ? A 19.258 6.494 -10.781 1.000 1 A 95.546 1 ATOM 110 O OE2 . GLU 14 14 ? A 19.329 6.983 -8.638 1.000 1 A 95.546 1 ATOM 111 N N . ASP 15 15 ? A 16.445 3.180 -5.229 1.000 1 A 95.590 1 ATOM 112 C CA . ASP 15 15 ? A 16.297 2.925 -3.799 1.000 1 A 95.590 1 ATOM 113 C C . ASP 15 15 ? A 15.055 2.083 -3.517 1.000 1 A 95.590 1 ATOM 114 O O . ASP 15 15 ? A 14.414 1.583 -4.444 1.000 1 A 95.590 1 ATOM 115 C CB . ASP 15 15 ? A 16.227 4.242 -3.023 1.000 1 A 95.590 1 ATOM 116 C CG . ASP 15 15 ? A 16.689 4.107 -1.583 1.000 1 A 95.590 1 ATOM 117 O OD1 . ASP 15 15 ? A 16.777 2.968 -1.075 1.000 1 A 95.590 1 ATOM 118 O OD2 . ASP 15 15 ? A 16.965 5.148 -0.950 1.000 1 A 95.590 1 ATOM 119 N N . GLY 16 16 ? A 14.740 1.791 -2.211 1.000 1 A 96.137 1 ATOM 120 C CA . GLY 16 16 ? A 13.634 0.925 -1.836 1.000 1 A 96.137 1 ATOM 121 C C . GLY 16 16 ? A 12.328 1.297 -2.512 1.000 1 A 96.137 1 ATOM 122 O O . GLY 16 16 ? A 11.994 2.479 -2.621 1.000 1 A 96.137 1 ATOM 123 N N . ILE 17 17 ? A 11.634 0.301 -3.009 1.000 1 A 98.284 1 ATOM 124 C CA . ILE 17 17 ? A 10.326 0.483 -3.629 1.000 1 A 98.284 1 ATOM 125 C C . ILE 17 17 ? A 9.253 0.583 -2.547 1.000 1 A 98.284 1 ATOM 126 O O . ILE 17 17 ? A 9.186 -0.261 -1.650 1.000 1 A 98.284 1 ATOM 127 C CB . ILE 17 17 ? A 9.998 -0.669 -4.605 1.000 1 A 98.284 1 ATOM 128 C CG1 . ILE 17 17 ? A 11.072 -0.768 -5.694 1.000 1 A 98.284 1 ATOM 129 C CG2 . ILE 17 17 ? A 8.609 -0.475 -5.221 1.000 1 A 98.284 1 ATOM 130 C CD1 . ILE 17 17 ? A 11.170 -2.141 -6.344 1.000 1 A 98.284 1 ATOM 131 N N . SER 18 18 ? A 8.399 1.613 -2.598 1.000 1 A 98.091 1 ATOM 132 C CA . SER 18 18 ? A 7.390 1.840 -1.568 1.000 1 A 98.091 1 ATOM 133 C C . SER 18 18 ? A 6.027 1.316 -2.004 1.000 1 A 98.091 1 ATOM 134 O O . SER 18 18 ? A 5.296 0.728 -1.203 1.000 1 A 98.091 1 ATOM 135 C CB . SER 18 18 ? A 7.290 3.330 -1.235 1.000 1 A 98.091 1 ATOM 136 O OG . SER 18 18 ? A 7.087 4.095 -2.411 1.000 1 A 98.091 1 ATOM 137 N N . SER 19 19 ? A 5.621 1.465 -3.324 1.000 1 A 98.364 1 ATOM 138 C CA . SER 19 19 ? A 4.302 1.028 -3.769 1.000 1 A 98.364 1 ATOM 139 C C . SER 19 19 ? A 4.291 0.743 -5.267 1.000 1 A 98.364 1 ATOM 140 O O . SER 19 19 ? A 4.940 1.448 -6.044 1.000 1 A 98.364 1 ATOM 141 C CB . SER 19 19 ? A 3.247 2.083 -3.435 1.000 1 A 98.364 1 ATOM 142 O OG . SER 19 19 ? A 1.958 1.649 -3.834 1.000 1 A 98.364 1 ATOM 143 N N . VAL 20 20 ? A 3.572 -0.347 -5.637 1.000 1 A 98.685 1 ATOM 144 C CA . VAL 20 20 ? A 3.305 -0.672 -7.034 1.000 1 A 98.685 1 ATOM 145 C C . VAL 20 20 ? A 1.798 -0.772 -7.262 1.000 1 A 98.685 1 ATOM 146 O O . VAL 20 20 ? A 1.089 -1.423 -6.492 1.000 1 A 98.685 1 ATOM 147 C CB . VAL 20 20 ? A 3.996 -1.989 -7.452 1.000 1 A 98.685 1 ATOM 148 C CG1 . VAL 20 20 ? A 5.515 -1.847 -7.385 1.000 1 A 98.685 1 ATOM 149 C CG2 . VAL 20 20 ? A 3.525 -3.143 -6.569 1.000 1 A 98.685 1 ATOM 150 N N . LYS 21 21 ? A 1.283 -0.097 -8.350 1.000 1 A 98.130 1 ATOM 151 C CA . LYS 21 21 ? A -0.148 -0.052 -8.634 1.000 1 A 98.130 1 ATOM 152 C C . LYS 21 21 ? A -0.414 -0.123 -10.135 1.000 1 A 98.130 1 ATOM 153 O O . LYS 21 21 ? A 0.147 0.657 -10.907 1.000 1 A 98.130 1 ATOM 154 C CB . LYS 21 21 ? A -0.771 1.218 -8.051 1.000 1 A 98.130 1 ATOM 155 C CG . LYS 21 21 ? A -0.581 1.368 -6.549 1.000 1 A 98.130 1 ATOM 156 C CD . LYS 21 21 ? A -1.513 0.446 -5.773 1.000 1 A 98.130 1 ATOM 157 C CE . LYS 21 21 ? A -1.467 0.732 -4.278 1.000 1 A 98.130 1 ATOM 158 N NZ . LYS 21 21 ? A -2.185 -0.315 -3.491 1.000 1 A 98.130 1 ATOM 159 N N . PHE 22 22 ? A -1.273 -1.066 -10.525 1.000 1 A 98.281 1 ATOM 160 C CA . PHE 22 22 ? A -1.673 -1.136 -11.925 1.000 1 A 98.281 1 ATOM 161 C C . PHE 22 22 ? A -2.692 -0.051 -12.251 1.000 1 A 98.281 1 ATOM 162 O O . PHE 22 22 ? A -3.432 0.397 -11.373 1.000 1 A 98.281 1 ATOM 163 C CB . PHE 22 22 ? A -2.253 -2.516 -12.252 1.000 1 A 98.281 1 ATOM 164 C CG . PHE 22 22 ? A -1.208 -3.568 -12.506 1.000 1 A 98.281 1 ATOM 165 C CD1 . PHE 22 22 ? A -0.483 -3.576 -13.692 1.000 1 A 98.281 1 ATOM 166 C CD2 . PHE 22 22 ? A -0.950 -4.551 -11.559 1.000 1 A 98.281 1 ATOM 167 C CE1 . PHE 22 22 ? A 0.485 -4.549 -13.930 1.000 1 A 98.281 1 ATOM 168 C CE2 . PHE 22 22 ? A 0.015 -5.526 -11.789 1.000 1 A 98.281 1 ATOM 169 C CZ . PHE 22 22 ? A 0.731 -5.525 -12.976 1.000 1 A 98.281 1 ATOM 170 N N . SER 23 23 ? A -2.666 0.312 -13.469 1.000 1 A 96.586 1 ATOM 171 C CA . SER 23 23 ? A -3.711 1.204 -13.964 1.000 1 A 96.586 1 ATOM 172 C C . SER 23 23 ? A -5.089 0.562 -13.842 1.000 1 A 96.586 1 ATOM 173 O O . SER 23 23 ? A -5.231 -0.651 -14.008 1.000 1 A 96.586 1 ATOM 174 C CB . SER 23 23 ? A -3.444 1.585 -15.421 1.000 1 A 96.586 1 ATOM 175 O OG . SER 23 23 ? A -4.471 2.427 -15.916 1.000 1 A 96.586 1 ATOM 176 N N . PRO 24 24 ? A -6.149 1.276 -13.514 1.000 1 A 91.538 1 ATOM 177 C CA . PRO 24 24 ? A -7.477 0.749 -13.192 1.000 1 A 91.538 1 ATOM 178 C C . PRO 24 24 ? A -8.083 -0.061 -14.336 1.000 1 A 91.538 1 ATOM 179 O O . PRO 24 24 ? A -8.841 -1.005 -14.095 1.000 1 A 91.538 1 ATOM 180 C CB . PRO 24 24 ? A -8.300 2.010 -12.919 1.000 1 A 91.538 1 ATOM 181 C CG . PRO 24 24 ? A -7.292 3.055 -12.567 1.000 1 A 91.538 1 ATOM 182 C CD . PRO 24 24 ? A -5.986 2.696 -13.215 1.000 1 A 91.538 1 ATOM 183 N N . ASN 25 25 ? A -7.771 0.158 -15.580 1.000 1 A 91.084 1 ATOM 184 C CA . ASN 25 25 ? A -8.486 -0.474 -16.684 1.000 1 A 91.084 1 ATOM 185 C C . ASN 25 25 ? A -7.560 -1.348 -17.525 1.000 1 A 91.084 1 ATOM 186 O O . ASN 25 25 ? A -8.003 -1.992 -18.477 1.000 1 A 91.084 1 ATOM 187 C CB . ASN 25 25 ? A -9.162 0.582 -17.561 1.000 1 A 91.084 1 ATOM 188 C CG . ASN 25 25 ? A -10.132 1.451 -16.786 1.000 1 A 91.084 1 ATOM 189 O OD1 . ASN 25 25 ? A -9.849 1.867 -15.659 1.000 1 A 91.084 1 ATOM 190 N ND2 . ASN 25 25 ? A -11.284 1.733 -17.383 1.000 1 A 91.084 1 ATOM 191 N N . THR 26 26 ? A -6.346 -1.302 -17.213 1.000 1 A 93.349 1 ATOM 192 C CA . THR 26 26 ? A -5.425 -2.073 -18.041 1.000 1 A 93.349 1 ATOM 193 C C . THR 26 26 ? A -4.281 -2.633 -17.201 1.000 1 A 93.349 1 ATOM 194 O O . THR 26 26 ? A -3.946 -2.080 -16.151 1.000 1 A 93.349 1 ATOM 195 C CB . THR 26 26 ? A -4.853 -1.217 -19.186 1.000 1 A 93.349 1 ATOM 196 O OG1 . THR 26 26 ? A -3.946 -2.010 -19.961 1.000 1 A 93.349 1 ATOM 197 C CG2 . THR 26 26 ? A -4.111 0.001 -18.645 1.000 1 A 93.349 1 ATOM 198 N N . SER 27 27 ? A -3.731 -3.733 -17.633 1.000 1 A 94.442 1 ATOM 199 C CA . SER 27 27 ? A -2.544 -4.308 -17.009 1.000 1 A 94.442 1 ATOM 200 C C . SER 27 27 ? A -1.271 -3.835 -17.704 1.000 1 A 94.442 1 ATOM 201 O O . SER 27 27 ? A -0.186 -4.363 -17.450 1.000 1 A 94.442 1 ATOM 202 C CB . SER 27 27 ? A -2.611 -5.835 -17.034 1.000 1 A 94.442 1 ATOM 203 O OG . SER 27 27 ? A -2.621 -6.316 -18.367 1.000 1 A 94.442 1 ATOM 204 N N . GLN 28 28 ? A -1.417 -2.897 -18.580 1.000 1 A 96.393 1 ATOM 205 C CA . GLN 28 28 ? A -0.329 -2.412 -19.423 1.000 1 A 96.393 1 ATOM 206 C C . GLN 28 28 ? A 0.571 -1.446 -18.658 1.000 1 A 96.393 1 ATOM 207 O O . GLN 28 28 ? A 1.790 -1.446 -18.842 1.000 1 A 96.393 1 ATOM 208 C CB . GLN 28 28 ? A -0.882 -1.734 -20.677 1.000 1 A 96.393 1 ATOM 209 C CG . GLN 28 28 ? A 0.194 -1.251 -21.641 1.000 1 A 96.393 1 ATOM 210 C CD . GLN 28 28 ? A -0.380 -0.579 -22.873 1.000 1 A 96.393 1 ATOM 211 O OE1 . GLN 28 28 ? A -1.587 -0.327 -22.954 1.000 1 A 96.393 1 ATOM 212 N NE2 . GLN 28 28 ? A 0.479 -0.286 -23.843 1.000 1 A 96.393 1 ATOM 213 N N . PHE 29 29 ? A -0.061 -0.633 -17.819 1.000 1 A 97.787 1 ATOM 214 C CA . PHE 29 29 ? A 0.691 0.426 -17.156 1.000 1 A 97.787 1 ATOM 215 C C . PHE 29 29 ? A 0.773 0.175 -15.655 1.000 1 A 97.787 1 ATOM 216 O O . PHE 29 29 ? A -0.223 -0.189 -15.026 1.000 1 A 97.787 1 ATOM 217 C CB . PHE 29 29 ? A 0.052 1.791 -17.426 1.000 1 A 97.787 1 ATOM 218 C CG . PHE 29 29 ? A 0.042 2.180 -18.880 1.000 1 A 97.787 1 ATOM 219 C CD1 . PHE 29 29 ? A 1.230 2.299 -19.590 1.000 1 A 97.787 1 ATOM 220 C CD2 . PHE 29 29 ? A -1.157 2.427 -19.537 1.000 1 A 97.787 1 ATOM 221 C CE1 . PHE 29 29 ? A 1.224 2.658 -20.936 1.000 1 A 97.787 1 ATOM 222 C CE2 . PHE 29 29 ? A -1.171 2.787 -20.881 1.000 1 A 97.787 1 ATOM 223 C CZ . PHE 29 29 ? A 0.020 2.903 -21.579 1.000 1 A 97.787 1 ATOM 224 N N . LEU 30 30 ? A 1.982 0.348 -15.166 1.000 1 A 98.551 1 ATOM 225 C CA . LEU 30 30 ? A 2.273 0.152 -13.750 1.000 1 A 98.551 1 ATOM 226 C C . LEU 30 30 ? A 2.940 1.388 -13.155 1.000 1 A 98.551 1 ATOM 227 O O . LEU 30 30 ? A 3.982 1.831 -13.643 1.000 1 A 98.551 1 ATOM 228 C CB . LEU 30 30 ? A 3.172 -1.072 -13.552 1.000 1 A 98.551 1 ATOM 229 C CG . LEU 30 30 ? A 3.448 -1.484 -12.106 1.000 1 A 98.551 1 ATOM 230 C CD1 . LEU 30 30 ? A 2.218 -2.153 -11.501 1.000 1 A 98.551 1 ATOM 231 C CD2 . LEU 30 30 ? A 4.657 -2.411 -12.035 1.000 1 A 98.551 1 ATOM 232 N N . LEU 31 31 ? A 2.350 1.934 -12.120 1.000 1 A 98.620 1 ATOM 233 C CA . LEU 31 31 ? A 2.875 3.079 -11.384 1.000 1 A 98.620 1 ATOM 234 C C . LEU 31 31 ? A 3.705 2.622 -10.188 1.000 1 A 98.620 1 ATOM 235 O O . LEU 31 31 ? A 3.265 1.773 -9.410 1.000 1 A 98.620 1 ATOM 236 C CB . LEU 31 31 ? A 1.733 3.982 -10.912 1.000 1 A 98.620 1 ATOM 237 C CG . LEU 31 31 ? A 2.125 5.389 -10.456 1.000 1 A 98.620 1 ATOM 238 C CD1 . LEU 31 31 ? A 2.680 6.190 -11.628 1.000 1 A 98.620 1 ATOM 239 C CD2 . LEU 31 31 ? A 0.929 6.101 -9.832 1.000 1 A 98.620 1 ATOM 240 N N . VAL 32 32 ? A 4.887 3.243 -10.042 1.000 1 A 98.736 1 ATOM 241 C CA . VAL 32 32 ? A 5.790 2.790 -8.989 1.000 1 A 98.736 1 ATOM 242 C C . VAL 32 32 ? A 6.345 3.995 -8.232 1.000 1 A 98.736 1 ATOM 243 O O . VAL 32 32 ? A 6.871 4.930 -8.840 1.000 1 A 98.736 1 ATOM 244 C CB . VAL 32 32 ? A 6.946 1.940 -9.560 1.000 1 A 98.736 1 ATOM 245 C CG1 . VAL 32 32 ? A 7.893 1.499 -8.445 1.000 1 A 98.736 1 ATOM 246 C CG2 . VAL 32 32 ? A 6.397 0.728 -10.310 1.000 1 A 98.736 1 ATOM 247 N N . SER 33 33 ? A 6.204 4.010 -6.904 1.000 1 A 98.685 1 ATOM 248 C CA . SER 33 33 ? A 6.816 5.014 -6.039 1.000 1 A 98.685 1 ATOM 249 C C . SER 33 33 ? A 7.999 4.434 -5.271 1.000 1 A 98.685 1 ATOM 250 O O . SER 33 33 ? A 8.033 3.235 -4.986 1.000 1 A 98.685 1 ATOM 251 C CB . SER 33 33 ? A 5.786 5.576 -5.058 1.000 1 A 98.685 1 ATOM 252 O OG . SER 33 33 ? A 5.365 4.578 -4.144 1.000 1 A 98.685 1 ATOM 253 N N . SER 34 34 ? A 8.955 5.344 -4.957 1.000 1 A 98.559 1 ATOM 254 C CA . SER 34 34 ? A 10.183 4.801 -4.385 1.000 1 A 98.559 1 ATOM 255 C C . SER 34 34 ? A 10.836 5.797 -3.433 1.000 1 A 98.559 1 ATOM 256 O O . SER 34 34 ? A 10.560 6.997 -3.495 1.000 1 A 98.559 1 ATOM 257 C CB . SER 34 34 ? A 11.167 4.419 -5.491 1.000 1 A 98.559 1 ATOM 258 O OG . SER 34 34 ? A 12.400 3.989 -4.940 1.000 1 A 98.559 1 ATOM 259 N N . TRP 35 35 ? A 11.743 5.320 -2.628 1.000 1 A 97.952 1 ATOM 260 C CA . TRP 35 35 ? A 12.503 6.107 -1.662 1.000 1 A 97.952 1 ATOM 261 C C . TRP 35 35 ? A 13.605 6.902 -2.354 1.000 1 A 97.952 1 ATOM 262 O O . TRP 35 35 ? A 14.244 7.757 -1.736 1.000 1 A 97.952 1 ATOM 263 C CB . TRP 35 35 ? A 13.110 5.200 -0.587 1.000 1 A 97.952 1 ATOM 264 C CG . TRP 35 35 ? A 12.143 4.796 0.485 1.000 1 A 97.952 1 ATOM 265 C CD1 . TRP 35 35 ? A 11.188 3.821 0.408 1.000 1 A 97.952 1 ATOM 266 C CD2 . TRP 35 35 ? A 12.035 5.361 1.795 1.000 1 A 97.952 1 ATOM 267 N NE1 . TRP 35 35 ? A 10.492 3.746 1.593 1.000 1 A 97.952 1 ATOM 268 C CE2 . TRP 35 35 ? A 10.993 4.679 2.460 1.000 1 A 97.952 1 ATOM 269 C CE3 . TRP 35 35 ? A 12.721 6.379 2.472 1.000 1 A 97.952 1 ATOM 270 C CZ2 . TRP 35 35 ? A 10.619 4.983 3.772 1.000 1 A 97.952 1 ATOM 271 C CZ3 . TRP 35 35 ? A 12.348 6.679 3.777 1.000 1 A 97.952 1 ATOM 272 C CH2 . TRP 35 35 ? A 11.306 5.983 4.411 1.000 1 A 97.952 1 ATOM 273 N N . ASP 36 36 ? A 13.840 6.672 -3.579 1.000 1 A 97.605 1 ATOM 274 C CA . ASP 36 36 ? A 14.809 7.466 -4.329 1.000 1 A 97.605 1 ATOM 275 C C . ASP 36 36 ? A 14.192 8.779 -4.804 1.000 1 A 97.605 1 ATOM 276 O O . ASP 36 36 ? A 14.730 9.436 -5.697 1.000 1 A 97.605 1 ATOM 277 C CB . ASP 36 36 ? A 15.343 6.673 -5.523 1.000 1 A 97.605 1 ATOM 278 C CG . ASP 36 36 ? A 14.285 6.410 -6.581 1.000 1 A 97.605 1 ATOM 279 O OD1 . ASP 36 36 ? A 13.134 6.870 -6.420 1.000 1 A 97.605 1 ATOM 280 O OD2 . ASP 36 36 ? A 14.605 5.735 -7.583 1.000 1 A 97.605 1 ATOM 281 N N . THR 37 37 ? A 12.987 9.115 -4.336 1.000 1 A 98.509 1 ATOM 282 C CA . THR 37 37 ? A 12.270 10.370 -4.536 1.000 1 A 98.509 1 ATOM 283 C C . THR 37 37 ? A 11.521 10.358 -5.865 1.000 1 A 98.509 1 ATOM 284 O O . THR 37 37 ? A 11.014 11.391 -6.308 1.000 1 A 98.509 1 ATOM 285 C CB . THR 37 37 ? A 13.229 11.574 -4.496 1.000 1 A 98.509 1 ATOM 286 O OG1 . THR 37 37 ? A 14.142 11.488 -5.597 1.000 1 A 98.509 1 ATOM 287 C CG2 . THR 37 37 ? A 14.023 11.601 -3.193 1.000 1 A 98.509 1 ATOM 288 N N . SER 38 38 ? A 11.469 9.276 -6.551 1.000 1 A 98.291 1 ATOM 289 C CA . SER 38 38 ? A 10.881 9.258 -7.886 1.000 1 A 98.291 1 ATOM 290 C C . SER 38 38 ? A 9.577 8.468 -7.905 1.000 1 A 98.291 1 ATOM 291 O O . SER 38 38 ? A 9.343 7.625 -7.036 1.000 1 A 98.291 1 ATOM 292 C CB . SER 38 38 ? A 11.862 8.662 -8.897 1.000 1 A 98.291 1 ATOM 293 O OG . SER 38 38 ? A 12.068 7.283 -8.644 1.000 1 A 98.291 1 ATOM 294 N N . VAL 39 39 ? A 8.682 8.831 -8.811 1.000 1 A 98.489 1 ATOM 295 C CA . VAL 39 39 ? A 7.532 8.062 -9.274 1.000 1 A 98.489 1 ATOM 296 C C . VAL 39 39 ? A 7.723 7.678 -10.740 1.000 1 A 98.489 1 ATOM 297 O O . VAL 39 39 ? A 8.014 8.533 -11.579 1.000 1 A 98.489 1 ATOM 298 C CB . VAL 39 39 ? A 6.214 8.849 -9.098 1.000 1 A 98.489 1 ATOM 299 C CG1 . VAL 39 39 ? A 5.019 8.010 -9.546 1.000 1 A 98.489 1 ATOM 300 C CG2 . VAL 39 39 ? A 6.046 9.290 -7.645 1.000 1 A 98.489 1 ATOM 301 N N . ARG 40 40 ? A 7.562 6.377 -11.016 1.000 1 A 98.385 1 ATOM 302 C CA . ARG 40 40 ? A 7.804 5.885 -12.368 1.000 1 A 98.385 1 ATOM 303 C C . ARG 40 40 ? A 6.552 5.233 -12.947 1.000 1 A 98.385 1 ATOM 304 O O . ARG 40 40 ? A 5.802 4.570 -12.227 1.000 1 A 98.385 1 ATOM 305 C CB . ARG 40 40 ? A 8.965 4.888 -12.378 1.000 1 A 98.385 1 ATOM 306 C CG . ARG 40 40 ? A 10.287 5.479 -11.915 1.000 1 A 98.385 1 ATOM 307 C CD . ARG 40 40 ? A 11.392 4.431 -11.880 1.000 1 A 98.385 1 ATOM 308 N NE . ARG 40 40 ? A 12.678 5.017 -11.514 1.000 1 A 98.385 1 ATOM 309 C CZ . ARG 40 40 ? A 13.618 4.398 -10.805 1.000 1 A 98.385 1 ATOM 310 N NH1 . ARG 40 40 ? A 13.433 3.157 -10.370 1.000 1 A 98.385 1 ATOM 311 N NH2 . ARG 40 40 ? A 14.753 5.024 -10.529 1.000 1 A 98.385 1 ATOM 312 N N . LEU 41 41 ? A 6.339 5.472 -14.203 1.000 1 A 98.236 1 ATOM 313 C CA . LEU 41 41 ? A 5.311 4.780 -14.973 1.000 1 A 98.236 1 ATOM 314 C C . LEU 41 41 ? A 5.938 3.805 -15.963 1.000 1 A 98.236 1 ATOM 315 O O . LEU 41 41 ? A 6.749 4.202 -16.804 1.000 1 A 98.236 1 ATOM 316 C CB . LEU 41 41 ? A 4.431 5.787 -15.719 1.000 1 A 98.236 1 ATOM 317 C CG . LEU 41 41 ? A 3.262 5.207 -16.516 1.000 1 A 98.236 1 ATOM 318 C CD1 . LEU 41 41 ? A 2.175 4.705 -15.572 1.000 1 A 98.236 1 ATOM 319 C CD2 . LEU 41 41 ? A 2.702 6.248 -17.479 1.000 1 A 98.236 1 ATOM 320 N N . TYR 42 42 ? A 5.566 2.564 -15.825 1.000 1 A 98.418 1 ATOM 321 C CA . TYR 42 42 ? A 6.104 1.520 -16.691 1.000 1 A 98.418 1 ATOM 322 C C . TYR 42 42 ? A 5.060 1.057 -17.700 1.000 1 A 98.418 1 ATOM 323 O O . TYR 42 42 ? A 3.863 1.046 -17.404 1.000 1 A 98.418 1 ATOM 324 C CB . TYR 42 42 ? A 6.591 0.329 -15.859 1.000 1 A 98.418 1 ATOM 325 C CG . TYR 42 42 ? A 7.835 0.619 -15.056 1.000 1 A 98.418 1 ATOM 326 C CD1 . TYR 42 42 ? A 9.101 0.479 -15.620 1.000 1 A 98.418 1 ATOM 327 C CD2 . TYR 42 42 ? A 7.748 1.031 -13.730 1.000 1 A 98.418 1 ATOM 328 C CE1 . TYR 42 42 ? A 10.251 0.742 -14.883 1.000 1 A 98.418 1 ATOM 329 C CE2 . TYR 42 42 ? A 8.891 1.297 -12.983 1.000 1 A 98.418 1 ATOM 330 C CZ . TYR 42 42 ? A 10.136 1.151 -13.567 1.000 1 A 98.418 1 ATOM 331 O OH . TYR 42 42 ? A 11.270 1.413 -12.833 1.000 1 A 98.418 1 ATOM 332 N N . ASP 43 43 ? A 5.572 0.761 -18.864 1.000 1 A 97.586 1 ATOM 333 C CA . ASP 43 43 ? A 4.868 -0.093 -19.816 1.000 1 A 97.586 1 ATOM 334 C C . ASP 43 43 ? A 5.266 -1.556 -19.639 1.000 1 A 97.586 1 ATOM 335 O O . ASP 43 43 ? A 6.357 -1.962 -20.048 1.000 1 A 97.586 1 ATOM 336 C CB . ASP 43 43 ? A 5.148 0.359 -21.251 1.000 1 A 97.586 1 ATOM 337 C CG . ASP 43 43 ? A 4.284 -0.355 -22.276 1.000 1 A 97.586 1 ATOM 338 O OD1 . ASP 43 43 ? A 3.822 -1.483 -22.004 1.000 1 A 97.586 1 ATOM 339 O OD2 . ASP 43 43 ? A 4.067 0.216 -23.367 1.000 1 A 97.586 1 ATOM 340 N N . VAL 44 44 ? A 4.390 -2.379 -19.133 1.000 1 A 97.348 1 ATOM 341 C CA . VAL 44 44 ? A 4.717 -3.692 -18.586 1.000 1 A 97.348 1 ATOM 342 C C . VAL 44 44 ? A 5.048 -4.658 -19.721 1.000 1 A 97.348 1 ATOM 343 O O . VAL 44 44 ? A 6.099 -5.303 -19.709 1.000 1 A 97.348 1 ATOM 344 C CB . VAL 44 44 ? A 3.561 -4.253 -17.728 1.000 1 A 97.348 1 ATOM 345 C CG1 . VAL 44 44 ? A 3.825 -5.710 -17.353 1.000 1 A 97.348 1 ATOM 346 C CG2 . VAL 44 44 ? A 3.365 -3.402 -16.475 1.000 1 A 97.348 1 ATOM 347 N N . PRO 45 45 ? A 4.192 -4.690 -20.779 1.000 1 A 95.681 1 ATOM 348 C CA . PRO 45 45 ? A 4.529 -5.635 -21.847 1.000 1 A 95.681 1 ATOM 349 C C . PRO 45 45 ? A 5.808 -5.256 -22.590 1.000 1 A 95.681 1 ATOM 350 O O . PRO 45 45 ? A 6.577 -6.133 -22.989 1.000 1 A 95.681 1 ATOM 351 C CB . PRO 45 45 ? A 3.315 -5.563 -22.777 1.000 1 A 95.681 1 ATOM 352 C CG . PRO 45 45 ? A 2.199 -5.073 -21.912 1.000 1 A 95.681 1 ATOM 353 C CD . PRO 45 45 ? A 2.773 -4.166 -20.862 1.000 1 A 95.681 1 ATOM 354 N N . ALA 46 46 ? A 6.033 -3.922 -22.724 1.000 1 A 97.033 1 ATOM 355 C CA . ALA 46 46 ? A 7.209 -3.433 -23.440 1.000 1 A 97.033 1 ATOM 356 C C . ALA 46 46 ? A 8.446 -3.461 -22.548 1.000 1 A 97.033 1 ATOM 357 O O . ALA 46 46 ? A 9.566 -3.257 -23.022 1.000 1 A 97.033 1 ATOM 358 C CB . ALA 46 46 ? A 6.964 -2.019 -23.962 1.000 1 A 97.033 1 ATOM 359 N N . ASN 47 47 ? A 8.252 -3.722 -21.263 1.000 1 A 96.967 1 ATOM 360 C CA . ASN 47 47 ? A 9.340 -3.735 -20.291 1.000 1 A 96.967 1 ATOM 361 C C . ASN 47 47 ? A 10.178 -2.463 -20.371 1.000 1 A 96.967 1 ATOM 362 O O . ASN 47 47 ? A 11.407 -2.527 -20.427 1.000 1 A 96.967 1 ATOM 363 C CB . ASN 47 47 ? A 10.224 -4.968 -20.491 1.000 1 A 96.967 1 ATOM 364 C CG . ASN 47 47 ? A 11.135 -5.231 -19.309 1.000 1 A 96.967 1 ATOM 365 O OD1 . ASN 47 47 ? A 11.032 -4.571 -18.271 1.000 1 A 96.967 1 ATOM 366 N ND2 . ASN 47 47 ? A 12.033 -6.198 -19.456 1.000 1 A 96.967 1 ATOM 367 N N . SER 48 48 ? A 9.498 -1.375 -20.417 1.000 1 A 97.614 1 ATOM 368 C CA . SER 48 48 ? A 10.188 -0.093 -20.521 1.000 1 A 97.614 1 ATOM 369 C C . SER 48 48 ? A 9.547 0.955 -19.618 1.000 1 A 97.614 1 ATOM 370 O O . SER 48 48 ? A 8.344 0.902 -19.353 1.000 1 A 97.614 1 ATOM 371 C CB . SER 48 48 ? A 10.187 0.400 -21.969 1.000 1 A 97.614 1 ATOM 372 O OG . SER 48 48 ? A 8.869 0.699 -22.397 1.000 1 A 97.614 1 ATOM 373 N N . MET 49 49 ? A 10.394 1.863 -19.085 1.000 1 A 97.613 1 ATOM 374 C CA . MET 49 49 ? A 9.924 2.999 -18.298 1.000 1 A 97.613 1 ATOM 375 C C . MET 49 49 ? A 9.474 4.140 -19.205 1.000 1 A 97.613 1 ATOM 376 O O . MET 49 49 ? A 10.264 4.660 -19.994 1.000 1 A 97.613 1 ATOM 377 C CB . MET 49 49 ? A 11.020 3.487 -17.349 1.000 1 A 97.613 1 ATOM 378 C CG . MET 49 49 ? A 10.578 4.615 -16.431 1.000 1 A 97.613 1 ATOM 379 S SD . MET 49 49 ? A 11.958 5.278 -15.418 1.000 1 A 97.613 1 ATOM 380 C CE . MET 49 49 ? A 12.867 6.206 -16.685 1.000 1 A 97.613 1 ATOM 381 N N . ARG 50 50 ? A 8.289 4.560 -19.091 1.000 1 A 96.506 1 ATOM 382 C CA . ARG 50 50 ? A 7.688 5.561 -19.967 1.000 1 A 96.506 1 ATOM 383 C C . ARG 50 50 ? A 7.936 6.970 -19.438 1.000 1 A 96.506 1 ATOM 384 O O . ARG 50 50 ? A 8.232 7.885 -20.210 1.000 1 A 96.506 1 ATOM 385 C CB . ARG 50 50 ? A 6.185 5.314 -20.115 1.000 1 A 96.506 1 ATOM 386 C CG . ARG 50 50 ? A 5.841 4.110 -20.977 1.000 1 A 96.506 1 ATOM 387 C CD . ARG 50 50 ? A 4.400 4.159 -21.464 1.000 1 A 96.506 1 ATOM 388 N NE . ARG 50 50 ? A 4.218 5.159 -22.512 1.000 1 A 96.506 1 ATOM 389 C CZ . ARG 50 50 ? A 3.199 5.186 -23.366 1.000 1 A 96.506 1 ATOM 390 N NH1 . ARG 50 50 ? A 2.245 4.263 -23.313 1.000 1 A 96.506 1 ATOM 391 N NH2 . ARG 50 50 ? A 3.132 6.143 -24.281 1.000 1 A 96.506 1 ATOM 392 N N . LEU 51 51 ? A 7.735 7.072 -18.175 1.000 1 A 97.089 1 ATOM 393 C CA . LEU 51 51 ? A 7.808 8.394 -17.562 1.000 1 A 97.089 1 ATOM 394 C C . LEU 51 51 ? A 8.399 8.310 -16.159 1.000 1 A 97.089 1 ATOM 395 O O . LEU 51 51 ? A 8.255 7.291 -15.480 1.000 1 A 97.089 1 ATOM 396 C CB . LEU 51 51 ? A 6.420 9.037 -17.507 1.000 1 A 97.089 1 ATOM 397 C CG . LEU 51 51 ? A 6.358 10.470 -16.974 1.000 1 A 97.089 1 ATOM 398 C CD1 . LEU 51 51 ? A 5.337 11.284 -17.761 1.000 1 A 97.089 1 ATOM 399 C CD2 . LEU 51 51 ? A 6.020 10.473 -15.487 1.000 1 A 97.089 1 ATOM 400 N N . LYS 52 52 ? A 9.071 9.346 -15.764 1.000 1 A 97.603 1 ATOM 401 C CA . LYS 52 52 ? A 9.647 9.487 -14.430 1.000 1 A 97.603 1 ATOM 402 C C . LYS 52 52 ? A 9.592 10.937 -13.958 1.000 1 A 97.603 1 ATOM 403 O O . LYS 52 52 ? A 9.979 11.849 -14.692 1.000 1 A 97.603 1 ATOM 404 C CB . LYS 52 52 ? A 11.092 8.985 -14.413 1.000 1 A 97.603 1 ATOM 405 C CG . LYS 52 52 ? A 11.795 9.170 -13.077 1.000 1 A 97.603 1 ATOM 406 C CD . LYS 52 52 ? A 13.254 8.735 -13.148 1.000 1 A 97.603 1 ATOM 407 C CE . LYS 52 52 ? A 13.987 9.018 -11.844 1.000 1 A 97.603 1 ATOM 408 N NZ . LYS 52 52 ? A 15.417 8.594 -11.909 1.000 1 A 97.603 1 ATOM 409 N N . TYR 53 53 ? A 8.986 11.091 -12.773 1.000 1 A 97.907 1 ATOM 410 C CA . TYR 53 53 ? A 9.033 12.422 -12.178 1.000 1 A 97.907 1 ATOM 411 C C . TYR 53 53 ? A 9.434 12.350 -10.710 1.000 1 A 97.907 1 ATOM 412 O O . TYR 53 53 ? A 9.400 11.277 -10.103 1.000 1 A 97.907 1 ATOM 413 C CB . TYR 53 53 ? A 7.676 13.120 -12.315 1.000 1 A 97.907 1 ATOM 414 C CG . TYR 53 53 ? A 6.554 12.412 -11.595 1.000 1 A 97.907 1 ATOM 415 C CD1 . TYR 53 53 ? A 5.822 11.407 -12.223 1.000 1 A 97.907 1 ATOM 416 C CD2 . TYR 53 53 ? A 6.223 12.747 -10.287 1.000 1 A 97.907 1 ATOM 417 C CE1 . TYR 53 53 ? A 4.786 10.753 -11.564 1.000 1 A 97.907 1 ATOM 418 C CE2 . TYR 53 53 ? A 5.189 12.101 -9.618 1.000 1 A 97.907 1 ATOM 419 C CZ . TYR 53 53 ? A 4.478 11.106 -10.263 1.000 1 A 97.907 1 ATOM 420 O OH . TYR 53 53 ? A 3.453 10.463 -9.606 1.000 1 A 97.907 1 ATOM 421 N N . GLN 54 54 ? A 9.759 13.552 -10.138 1.000 1 A 97.326 1 ATOM 422 C CA . GLN 54 54 ? A 10.461 13.508 -8.860 1.000 1 A 97.326 1 ATOM 423 C C . GLN 54 54 ? A 9.757 14.371 -7.816 1.000 1 A 97.326 1 ATOM 424 O O . GLN 54 54 ? A 9.087 15.347 -8.160 1.000 1 A 97.326 1 ATOM 425 C CB . GLN 54 54 ? A 11.911 13.962 -9.026 1.000 1 A 97.326 1 ATOM 426 C CG . GLN 54 54 ? A 12.757 13.022 -9.873 1.000 1 A 97.326 1 ATOM 427 C CD . GLN 54 54 ? A 14.202 13.471 -9.984 1.000 1 A 97.326 1 ATOM 428 O OE1 . GLN 54 54 ? A 14.542 14.605 -9.632 1.000 1 A 97.326 1 ATOM 429 N NE2 . GLN 54 54 ? A 15.062 12.586 -10.477 1.000 1 A 97.326 1 ATOM 430 N N . HIS 55 55 ? A 9.936 13.906 -6.545 1.000 1 A 98.107 1 ATOM 431 C CA . HIS 55 55 ? A 9.616 14.666 -5.342 1.000 1 A 98.107 1 ATOM 432 C C . HIS 55 55 ? A 10.880 15.173 -4.657 1.000 1 A 98.107 1 ATOM 433 O O . HIS 55 55 ? A 11.993 14.855 -5.084 1.000 1 A 98.107 1 ATOM 434 C CB . HIS 55 55 ? A 8.799 13.812 -4.370 1.000 1 A 98.107 1 ATOM 435 C CG . HIS 55 55 ? A 7.391 13.576 -4.816 1.000 1 A 98.107 1 ATOM 436 N ND1 . HIS 55 55 ? A 6.300 14.020 -4.101 1.000 1 A 98.107 1 ATOM 437 C CD2 . HIS 55 55 ? A 6.898 12.944 -5.908 1.000 1 A 98.107 1 ATOM 438 C CE1 . HIS 55 55 ? A 5.193 13.669 -4.735 1.000 1 A 98.107 1 ATOM 439 N NE2 . HIS 55 55 ? A 5.529 13.015 -5.834 1.000 1 A 98.107 1 ATOM 440 N N . THR 56 56 ? A 10.740 16.119 -3.699 1.000 1 A 97.645 1 ATOM 441 C CA . THR 56 56 ? A 11.871 16.658 -2.952 1.000 1 A 97.645 1 ATOM 442 C C . THR 56 56 ? A 12.285 15.704 -1.835 1.000 1 A 97.645 1 ATOM 443 O O . THR 56 56 ? A 13.362 15.851 -1.254 1.000 1 A 97.645 1 ATOM 444 C CB . THR 56 56 ? A 11.539 18.038 -2.355 1.000 1 A 97.645 1 ATOM 445 O OG1 . THR 56 56 ? A 10.373 17.927 -1.529 1.000 1 A 97.645 1 ATOM 446 C CG2 . THR 56 56 ? A 11.274 19.063 -3.453 1.000 1 A 97.645 1 ATOM 447 N N . GLY 57 57 ? A 11.458 14.706 -1.546 1.000 1 A 97.608 1 ATOM 448 C CA . GLY 57 57 ? A 11.717 13.652 -0.577 1.000 1 A 97.608 1 ATOM 449 C C . GLY 57 57 ? A 11.256 12.285 -1.045 1.000 1 A 97.608 1 ATOM 450 O O . GLY 57 57 ? A 10.679 12.156 -2.127 1.000 1 A 97.608 1 ATOM 451 N N . ALA 58 58 ? A 11.484 11.264 -0.226 1.000 1 A 98.219 1 ATOM 452 C CA . ALA 58 58 ? A 11.061 9.909 -0.571 1.000 1 A 98.219 1 ATOM 453 C C . ALA 58 58 ? A 9.550 9.842 -0.774 1.000 1 A 98.219 1 ATOM 454 O O . ALA 58 58 ? A 8.786 10.406 0.013 1.000 1 A 98.219 1 ATOM 455 C CB . ALA 58 58 ? A 11.494 8.925 0.513 1.000 1 A 98.219 1 ATOM 456 N N . VAL 59 59 ? A 9.174 9.115 -1.822 1.000 1 A 98.586 1 ATOM 457 C CA . VAL 59 59 ? A 7.755 8.939 -2.114 1.000 1 A 98.586 1 ATOM 458 C C . VAL 59 59 ? A 7.257 7.636 -1.492 1.000 1 A 98.586 1 ATOM 459 O O . VAL 59 59 ? A 7.779 6.559 -1.791 1.000 1 A 98.586 1 ATOM 460 C CB . VAL 59 59 ? A 7.483 8.941 -3.635 1.000 1 A 98.586 1 ATOM 461 C CG1 . VAL 59 59 ? A 5.982 8.909 -3.915 1.000 1 A 98.586 1 ATOM 462 C CG2 . VAL 59 59 ? A 8.126 10.163 -4.289 1.000 1 A 98.586 1 ATOM 463 N N . LEU 60 60 ? A 6.238 7.678 -0.669 1.000 1 A 98.547 1 ATOM 464 C CA . LEU 60 60 ? A 5.816 6.525 0.120 1.000 1 A 98.547 1 ATOM 465 C C . LEU 60 60 ? A 4.645 5.811 -0.546 1.000 1 A 98.547 1 ATOM 466 O O . LEU 60 60 ? A 4.427 4.619 -0.316 1.000 1 A 98.547 1 ATOM 467 C CB . LEU 60 60 ? A 5.427 6.958 1.536 1.000 1 A 98.547 1 ATOM 468 C CG . LEU 60 60 ? A 6.531 7.600 2.376 1.000 1 A 98.547 1 ATOM 469 C CD1 . LEU 60 60 ? A 6.001 7.964 3.759 1.000 1 A 98.547 1 ATOM 470 C CD2 . LEU 60 60 ? A 7.732 6.666 2.486 1.000 1 A 98.547 1 ATOM 471 N N . ASP 61 61 ? A 3.759 6.542 -1.274 1.000 1 A 98.670 1 ATOM 472 C CA . ASP 61 61 ? A 2.618 5.909 -1.927 1.000 1 A 98.670 1 ATOM 473 C C . ASP 61 61 ? A 2.168 6.710 -3.147 1.000 1 A 98.670 1 ATOM 474 O O . ASP 61 61 ? A 2.499 7.891 -3.276 1.000 1 A 98.670 1 ATOM 475 C CB . ASP 61 61 ? A 1.456 5.751 -0.944 1.000 1 A 98.670 1 ATOM 476 C CG . ASP 61 61 ? A 0.477 4.663 -1.352 1.000 1 A 98.670 1 ATOM 477 O OD1 . ASP 61 61 ? A 0.799 3.860 -2.255 1.000 1 A 98.670 1 ATOM 478 O OD2 . ASP 61 61 ? A -0.627 4.611 -0.768 1.000 1 A 98.670 1 ATOM 479 N N . CYS 62 62 ? A 1.518 5.994 -4.041 1.000 1 A 98.536 1 ATOM 480 C CA . CYS 62 62 ? A 0.947 6.600 -5.238 1.000 1 A 98.536 1 ATOM 481 C C . CYS 62 62 ? A -0.336 5.888 -5.651 1.000 1 A 98.536 1 ATOM 482 O O . CYS 62 62 ? A -0.629 4.795 -5.164 1.000 1 A 98.536 1 ATOM 483 C CB . CYS 62 62 ? A 1.952 6.567 -6.388 1.000 1 A 98.536 1 ATOM 484 S SG . CYS 62 62 ? A 2.417 4.898 -6.901 1.000 1 A 98.536 1 ATOM 485 N N . ALA 63 63 ? A -1.134 6.588 -6.453 1.000 1 A 98.204 1 ATOM 486 C CA . ALA 63 63 ? A -2.387 6.014 -6.938 1.000 1 A 98.204 1 ATOM 487 C C . ALA 63 63 ? A -2.832 6.684 -8.234 1.000 1 A 98.204 1 ATOM 488 O O . ALA 63 63 ? A -2.531 7.857 -8.469 1.000 1 A 98.204 1 ATOM 489 C CB . ALA 63 63 ? A -3.476 6.140 -5.875 1.000 1 A 98.204 1 ATOM 490 N N . PHE 64 64 ? A -3.527 5.867 -9.022 1.000 1 A 97.997 1 ATOM 491 C CA . PHE 64 64 ? A -4.194 6.419 -10.194 1.000 1 A 97.997 1 ATOM 492 C C . PHE 64 64 ? A -5.532 7.042 -9.813 1.000 1 A 97.997 1 ATOM 493 O O . PHE 64 64 ? A -6.295 6.462 -9.038 1.000 1 A 97.997 1 ATOM 494 C CB . PHE 64 64 ? A -4.404 5.335 -11.256 1.000 1 A 97.997 1 ATOM 495 C CG . PHE 64 64 ? A -3.142 4.936 -11.972 1.000 1 A 97.997 1 ATOM 496 C CD1 . PHE 64 64 ? A -2.675 5.675 -13.053 1.000 1 A 97.997 1 ATOM 497 C CD2 . PHE 64 64 ? A -2.422 3.820 -11.565 1.000 1 A 97.997 1 ATOM 498 C CE1 . PHE 64 64 ? A -1.507 5.307 -13.717 1.000 1 A 97.997 1 ATOM 499 C CE2 . PHE 64 64 ? A -1.254 3.446 -12.224 1.000 1 A 97.997 1 ATOM 500 C CZ . PHE 64 64 ? A -0.799 4.191 -13.301 1.000 1 A 97.997 1 ATOM 501 N N . TYR 65 65 ? A -5.754 8.281 -10.264 1.000 1 A 95.713 1 ATOM 502 C CA . TYR 65 65 ? A -7.116 8.802 -10.277 1.000 1 A 95.713 1 ATOM 503 C C . TYR 65 65 ? A -7.887 8.282 -11.485 1.000 1 A 95.713 1 ATOM 504 O O . TYR 65 65 ? A -9.010 7.791 -11.348 1.000 1 A 95.713 1 ATOM 505 C CB . TYR 65 65 ? A -7.107 10.333 -10.284 1.000 1 A 95.713 1 ATOM 506 C CG . TYR 65 65 ? A -8.425 10.947 -10.690 1.000 1 A 95.713 1 ATOM 507 C CD1 . TYR 65 65 ? A -8.502 11.833 -11.762 1.000 1 A 95.713 1 ATOM 508 C CD2 . TYR 65 65 ? A -9.595 10.642 -10.003 1.000 1 A 95.713 1 ATOM 509 C CE1 . TYR 65 65 ? A -9.714 12.403 -12.139 1.000 1 A 95.713 1 ATOM 510 C CE2 . TYR 65 65 ? A -10.812 11.206 -10.371 1.000 1 A 95.713 1 ATOM 511 C CZ . TYR 65 65 ? A -10.862 12.083 -11.439 1.000 1 A 95.713 1 ATOM 512 O OH . TYR 65 65 ? A -12.064 12.644 -11.807 1.000 1 A 95.713 1 ATOM 513 N N . ASP 66 66 ? A -7.264 8.464 -12.693 1.000 1 A 94.629 1 ATOM 514 C CA . ASP 66 66 ? A -7.649 7.903 -13.984 1.000 1 A 94.629 1 ATOM 515 C C . ASP 66 66 ? A -6.425 7.417 -14.758 1.000 1 A 94.629 1 ATOM 516 O O . ASP 66 66 ? A -5.305 7.455 -14.245 1.000 1 A 94.629 1 ATOM 517 C CB . ASP 66 66 ? A -8.418 8.936 -14.811 1.000 1 A 94.629 1 ATOM 518 C CG . ASP 66 66 ? A -7.594 10.170 -15.132 1.000 1 A 94.629 1 ATOM 519 O OD1 . ASP 66 66 ? A -6.365 10.050 -15.326 1.000 1 A 94.629 1 ATOM 520 O OD2 . ASP 66 66 ? A -8.178 11.274 -15.190 1.000 1 A 94.629 1 ATOM 521 N N . PRO 67 67 ? A -6.684 6.850 -15.873 1.000 1 A 94.386 1 ATOM 522 C CA . PRO 67 67 ? A -5.550 6.250 -16.579 1.000 1 A 94.386 1 ATOM 523 C C . PRO 67 67 ? A -4.489 7.276 -16.971 1.000 1 A 94.386 1 ATOM 524 O O . PRO 67 67 ? A -3.348 6.909 -17.265 1.000 1 A 94.386 1 ATOM 525 C CB . PRO 67 67 ? A -6.196 5.632 -17.822 1.000 1 A 94.386 1 ATOM 526 C CG . PRO 67 67 ? A -7.589 5.293 -17.400 1.000 1 A 94.386 1 ATOM 527 C CD . PRO 67 67 ? A -8.082 6.369 -16.475 1.000 1 A 94.386 1 ATOM 528 N N . THR 68 68 ? A -4.766 8.589 -16.874 1.000 1 A 94.792 1 ATOM 529 C CA . THR 68 68 ? A -3.828 9.593 -17.365 1.000 1 A 94.792 1 ATOM 530 C C . THR 68 68 ? A -3.335 10.477 -16.224 1.000 1 A 94.792 1 ATOM 531 O O . THR 68 68 ? A -2.484 11.345 -16.427 1.000 1 A 94.792 1 ATOM 532 C CB . THR 68 68 ? A -4.469 10.469 -18.458 1.000 1 A 94.792 1 ATOM 533 O OG1 . THR 68 68 ? A -5.610 11.143 -17.913 1.000 1 A 94.792 1 ATOM 534 C CG2 . THR 68 68 ? A -4.911 9.626 -19.649 1.000 1 A 94.792 1 ATOM 535 N N . HIS 69 69 ? A -3.861 10.325 -15.089 1.000 1 A 96.746 1 ATOM 536 C CA . HIS 69 69 ? A -3.491 11.165 -13.955 1.000 1 A 96.746 1 ATOM 537 C C . HIS 69 69 ? A -3.041 10.321 -12.768 1.000 1 A 96.746 1 ATOM 538 O O . HIS 69 69 ? A -3.744 9.395 -12.357 1.000 1 A 96.746 1 ATOM 539 C CB . HIS 69 69 ? A -4.662 12.062 -13.549 1.000 1 A 96.746 1 ATOM 540 C CG . HIS 69 69 ? A -5.096 13.007 -14.624 1.000 1 A 96.746 1 ATOM 541 N ND1 . HIS 69 69 ? A -6.117 12.717 -15.502 1.000 1 A 96.746 1 ATOM 542 C CD2 . HIS 69 69 ? A -4.646 14.239 -14.959 1.000 1 A 96.746 1 ATOM 543 C CE1 . HIS 69 69 ? A -6.277 13.732 -16.333 1.000 1 A 96.746 1 ATOM 544 N NE2 . HIS 69 69 ? A -5.397 14.669 -16.025 1.000 1 A 96.746 1 ATOM 545 N N . ALA 70 70 ? A -1.900 10.685 -12.188 1.000 1 A 98.072 1 ATOM 546 C CA . ALA 70 70 ? A -1.334 10.002 -11.029 1.000 1 A 98.072 1 ATOM 547 C C . ALA 70 70 ? A -1.210 10.950 -9.839 1.000 1 A 98.072 1 ATOM 548 O O . ALA 70 70 ? A -0.897 12.131 -10.009 1.000 1 A 98.072 1 ATOM 549 C CB . ALA 70 70 ? A 0.029 9.407 -11.375 1.000 1 A 98.072 1 ATOM 550 N N . TRP 71 71 ? A -1.485 10.393 -8.695 1.000 1 A 98.459 1 ATOM 551 C CA . TRP 71 71 ? A -1.313 11.102 -7.431 1.000 1 A 98.459 1 ATOM 552 C C . TRP 71 71 ? A -0.239 10.438 -6.576 1.000 1 A 98.459 1 ATOM 553 O O . TRP 71 71 ? A -0.175 9.209 -6.494 1.000 1 A 98.459 1 ATOM 554 C CB . TRP 71 71 ? A -2.635 11.159 -6.661 1.000 1 A 98.459 1 ATOM 555 C CG . TRP 71 71 ? A -3.661 12.062 -7.278 1.000 1 A 98.459 1 ATOM 556 C CD1 . TRP 71 71 ? A -4.166 11.990 -8.546 1.000 1 A 98.459 1 ATOM 557 C CD2 . TRP 71 71 ? A -4.304 13.176 -6.652 1.000 1 A 98.459 1 ATOM 558 N NE1 . TRP 71 71 ? A -5.085 12.994 -8.747 1.000 1 A 98.459 1 ATOM 559 C CE2 . TRP 71 71 ? A -5.188 13.735 -7.601 1.000 1 A 98.459 1 ATOM 560 C CE3 . TRP 71 71 ? A -4.218 13.757 -5.380 1.000 1 A 98.459 1 ATOM 561 C CZ2 . TRP 71 71 ? A -5.983 14.848 -7.316 1.000 1 A 98.459 1 ATOM 562 C CZ3 . TRP 71 71 ? A -5.010 14.865 -5.098 1.000 1 A 98.459 1 ATOM 563 C CH2 . TRP 71 71 ? A -5.880 15.397 -6.064 1.000 1 A 98.459 1 ATOM 564 N N . SER 72 72 ? A 0.596 11.289 -5.959 1.000 1 A 98.727 1 ATOM 565 C CA . SER 72 72 ? A 1.694 10.741 -5.169 1.000 1 A 98.727 1 ATOM 566 C C . SER 72 72 ? A 2.013 11.631 -3.972 1.000 1 A 98.727 1 ATOM 567 O O . SER 72 72 ? A 1.788 12.842 -4.016 1.000 1 A 98.727 1 ATOM 568 C CB . SER 72 72 ? A 2.944 10.569 -6.034 1.000 1 A 98.727 1 ATOM 569 O OG . SER 72 72 ? A 3.319 11.801 -6.626 1.000 1 A 98.727 1 ATOM 570 N N . GLY 73 73 ? A 2.379 11.009 -2.883 1.000 1 A 98.531 1 ATOM 571 C CA . GLY 73 73 ? A 2.739 11.685 -1.647 1.000 1 A 98.531 1 ATOM 572 C C . GLY 73 73 ? A 3.815 10.958 -0.862 1.000 1 A 98.531 1 ATOM 573 O O . GLY 73 73 ? A 3.991 9.747 -1.014 1.000 1 A 98.531 1 ATOM 574 N N . GLY 74 74 ? A 4.508 11.765 0.007 1.000 1 A 98.224 1 ATOM 575 C CA . GLY 74 74 ? A 5.582 11.108 0.735 1.000 1 A 98.224 1 ATOM 576 C C . GLY 74 74 ? A 6.175 11.972 1.832 1.000 1 A 98.224 1 ATOM 577 O O . GLY 74 74 ? A 5.447 12.664 2.546 1.000 1 A 98.224 1 ATOM 578 N N . LEU 75 75 ? A 7.480 11.950 1.998 1.000 1 A 98.326 1 ATOM 579 C CA . LEU 75 75 ? A 8.187 12.554 3.121 1.000 1 A 98.326 1 ATOM 580 C C . LEU 75 75 ? A 8.270 14.069 2.960 1.000 1 A 98.326 1 ATOM 581 O O . LEU 75 75 ? A 8.576 14.783 3.918 1.000 1 A 98.326 1 ATOM 582 C CB . LEU 75 75 ? A 9.595 11.965 3.248 1.000 1 A 98.326 1 ATOM 583 C CG . LEU 75 75 ? A 9.680 10.503 3.687 1.000 1 A 98.326 1 ATOM 584 C CD1 . LEU 75 75 ? A 11.138 10.080 3.842 1.000 1 A 98.326 1 ATOM 585 C CD2 . LEU 75 75 ? A 8.915 10.289 4.989 1.000 1 A 98.326 1 ATOM 586 N N . ASP 76 76 ? A 7.997 14.526 1.839 1.000 1 A 97.956 1 ATOM 587 C CA . ASP 76 76 ? A 8.063 15.967 1.616 1.000 1 A 97.956 1 ATOM 588 C C . ASP 76 76 ? A 6.751 16.644 2.008 1.000 1 A 97.956 1 ATOM 589 O O . ASP 76 76 ? A 6.579 17.845 1.795 1.000 1 A 97.956 1 ATOM 590 C CB . ASP 76 76 ? A 8.394 16.270 0.153 1.000 1 A 97.956 1 ATOM 591 C CG . ASP 76 76 ? A 7.410 15.644 -0.819 1.000 1 A 97.956 1 ATOM 592 O OD1 . ASP 76 76 ? A 6.431 15.008 -0.372 1.000 1 A 97.956 1 ATOM 593 O OD2 . ASP 76 76 ? A 7.616 15.786 -2.044 1.000 1 A 97.956 1 ATOM 594 N N . HIS 77 77 ? A 5.755 15.794 2.436 1.000 1 A 98.415 1 ATOM 595 C CA . HIS 77 77 ? A 4.483 16.265 2.970 1.000 1 A 98.415 1 ATOM 596 C C . HIS 77 77 ? A 3.589 16.812 1.862 1.000 1 A 98.415 1 ATOM 597 O O . HIS 77 77 ? A 2.575 17.458 2.138 1.000 1 A 98.415 1 ATOM 598 C CB . HIS 77 77 ? A 4.714 17.338 4.036 1.000 1 A 98.415 1 ATOM 599 C CG . HIS 77 77 ? A 5.746 16.963 5.051 1.000 1 A 98.415 1 ATOM 600 N ND1 . HIS 77 77 ? A 6.200 17.842 6.010 1.000 1 A 98.415 1 ATOM 601 C CD2 . HIS 77 77 ? A 6.409 15.800 5.257 1.000 1 A 98.415 1 ATOM 602 C CE1 . HIS 77 77 ? A 7.102 17.234 6.764 1.000 1 A 98.415 1 ATOM 603 N NE2 . HIS 77 77 ? A 7.246 15.995 6.328 1.000 1 A 98.415 1 ATOM 604 N N . GLN 78 78 ? A 4.043 16.718 0.656 1.000 1 A 98.215 1 ATOM 605 C CA . GLN 78 78 ? A 3.299 17.282 -0.466 1.000 1 A 98.215 1 ATOM 606 C C . GLN 78 78 ? A 2.525 16.199 -1.212 1.000 1 A 98.215 1 ATOM 607 O O . GLN 78 78 ? A 3.039 15.100 -1.430 1.000 1 A 98.215 1 ATOM 608 C CB . GLN 78 78 ? A 4.242 18.009 -1.425 1.000 1 A 98.215 1 ATOM 609 C CG . GLN 78 78 ? A 4.957 19.199 -0.800 1.000 1 A 98.215 1 ATOM 610 C CD . GLN 78 78 ? A 5.848 19.932 -1.786 1.000 1 A 98.215 1 ATOM 611 O OE1 . GLN 78 78 ? A 6.142 19.426 -2.873 1.000 1 A 98.215 1 ATOM 612 N NE2 . GLN 78 78 ? A 6.284 21.131 -1.413 1.000 1 A 98.215 1 ATOM 613 N N . LEU 79 79 ? A 1.280 16.528 -1.571 1.000 1 A 98.505 1 ATOM 614 C CA . LEU 79 79 ? A 0.467 15.709 -2.464 1.000 1 A 98.505 1 ATOM 615 C C . LEU 79 79 ? A 0.475 16.276 -3.879 1.000 1 A 98.505 1 ATOM 616 O O . LEU 79 79 ? A 0.035 17.406 -4.102 1.000 1 A 98.505 1 ATOM 617 C CB . LEU 79 79 ? A -0.971 15.617 -1.946 1.000 1 A 98.505 1 ATOM 618 C CG . LEU 79 79 ? A -1.922 14.723 -2.743 1.000 1 A 98.505 1 ATOM 619 C CD1 . LEU 79 79 ? A -1.465 13.270 -2.676 1.000 1 A 98.505 1 ATOM 620 C CD2 . LEU 79 79 ? A -3.349 14.865 -2.225 1.000 1 A 98.505 1 ATOM 621 N N . LYS 80 80 ? A 0.977 15.482 -4.782 1.000 1 A 97.923 1 ATOM 622 C CA . LYS 80 80 ? A 1.127 15.944 -6.159 1.000 1 A 97.923 1 ATOM 623 C C . LYS 80 80 ? A 0.224 15.156 -7.104 1.000 1 A 97.923 1 ATOM 624 O O . LYS 80 80 ? A 0.029 13.952 -6.925 1.000 1 A 97.923 1 ATOM 625 C CB . LYS 80 80 ? A 2.585 15.828 -6.608 1.000 1 A 97.923 1 ATOM 626 C CG . LYS 80 80 ? A 3.534 16.765 -5.876 1.000 1 A 97.923 1 ATOM 627 C CD . LYS 80 80 ? A 4.957 16.644 -6.406 1.000 1 A 97.923 1 ATOM 628 C CE . LYS 80 80 ? A 5.906 17.593 -5.686 1.000 1 A 97.923 1 ATOM 629 N NZ . LYS 80 80 ? A 7.307 17.461 -6.185 1.000 1 A 97.923 1 ATOM 630 N N . MET 81 81 ? A -0.345 15.878 -8.010 1.000 1 A 97.572 1 ATOM 631 C CA . MET 81 81 ? A -1.029 15.288 -9.158 1.000 1 A 97.572 1 ATOM 632 C C . MET 81 81 ? A -0.216 15.478 -10.433 1.000 1 A 97.572 1 ATOM 633 O O . MET 81 81 ? A 0.267 16.578 -10.709 1.000 1 A 97.572 1 ATOM 634 C CB . MET 81 81 ? A -2.420 15.902 -9.328 1.000 1 A 97.572 1 ATOM 635 C CG . MET 81 81 ? A -3.244 15.257 -10.430 1.000 1 A 97.572 1 ATOM 636 S SD . MET 81 81 ? A -2.982 16.053 -12.062 1.000 1 A 97.572 1 ATOM 637 C CE . MET 81 81 ? A -3.728 17.677 -11.750 1.000 1 A 97.572 1 ATOM 638 N N . HIS 82 82 ? A -0.024 14.453 -11.133 1.000 1 A 97.357 1 ATOM 639 C CA . HIS 82 82 ? A 0.784 14.491 -12.347 1.000 1 A 97.357 1 ATOM 640 C C . HIS 82 82 ? A -0.003 13.978 -13.548 1.000 1 A 97.357 1 ATOM 641 O O . HIS 82 82 ? A -0.580 12.889 -13.499 1.000 1 A 97.357 1 ATOM 642 C CB . HIS 82 82 ? A 2.061 13.669 -12.166 1.000 1 A 97.357 1 ATOM 643 C CG . HIS 82 82 ? A 3.129 13.994 -13.162 1.000 1 A 97.357 1 ATOM 644 N ND1 . HIS 82 82 ? A 4.108 14.934 -12.922 1.000 1 A 97.357 1 ATOM 645 C CD2 . HIS 82 82 ? A 3.373 13.499 -14.398 1.000 1 A 97.357 1 ATOM 646 C CE1 . HIS 82 82 ? A 4.908 15.005 -13.973 1.000 1 A 97.357 1 ATOM 647 N NE2 . HIS 82 82 ? A 4.484 14.144 -14.882 1.000 1 A 97.357 1 ATOM 648 N N . ASP 83 83 ? A -0.039 14.824 -14.593 1.000 1 A 96.547 1 ATOM 649 C CA . ASP 83 83 ? A -0.611 14.408 -15.870 1.000 1 A 96.547 1 ATOM 650 C C . ASP 83 83 ? A 0.379 13.558 -16.664 1.000 1 A 96.547 1 ATOM 651 O O . ASP 83 83 ? A 1.386 14.069 -17.158 1.000 1 A 96.547 1 ATOM 652 C CB . ASP 83 83 ? A -1.035 15.627 -16.691 1.000 1 A 96.547 1 ATOM 653 C CG . ASP 83 83 ? A -1.859 15.261 -17.913 1.000 1 A 96.547 1 ATOM 654 O OD1 . ASP 83 83 ? A -1.603 14.202 -18.526 1.000 1 A 96.547 1 ATOM 655 O OD2 . ASP 83 83 ? A -2.769 16.040 -18.269 1.000 1 A 96.547 1 ATOM 656 N N . LEU 84 84 ? A 0.046 12.286 -16.908 1.000 1 A 96.100 1 ATOM 657 C CA . LEU 84 84 ? A 0.974 11.310 -17.470 1.000 1 A 96.100 1 ATOM 658 C C . LEU 84 84 ? A 1.098 11.485 -18.980 1.000 1 A 96.100 1 ATOM 659 O O . LEU 84 84 ? A 2.092 11.067 -19.578 1.000 1 A 96.100 1 ATOM 660 C CB . LEU 84 84 ? A 0.516 9.886 -17.145 1.000 1 A 96.100 1 ATOM 661 C CG . LEU 84 84 ? A 0.433 9.522 -15.662 1.000 1 A 96.100 1 ATOM 662 C CD1 . LEU 84 84 ? A -0.247 8.168 -15.486 1.000 1 A 96.100 1 ATOM 663 C CD2 . LEU 84 84 ? A 1.823 9.514 -15.035 1.000 1 A 96.100 1 ATOM 664 N N . ASN 85 85 ? A 0.224 12.210 -19.603 1.000 1 A 95.288 1 ATOM 665 C CA . ASN 85 85 ? A 0.278 12.473 -21.037 1.000 1 A 95.288 1 ATOM 666 C C . ASN 85 85 ? A 1.077 13.736 -21.346 1.000 1 A 95.288 1 ATOM 667 O O . ASN 85 85 ? A 1.893 13.749 -22.270 1.000 1 A 95.288 1 ATOM 668 C CB . ASN 85 85 ? A -1.134 12.582 -21.616 1.000 1 A 95.288 1 ATOM 669 C CG . ASN 85 85 ? A -1.850 11.247 -21.665 1.000 1 A 95.288 1 ATOM 670 O OD1 . ASN 85 85 ? A -1.221 10.196 -21.810 1.000 1 A 95.288 1 ATOM 671 N ND2 . ASN 85 85 ? A -3.172 11.279 -21.544 1.000 1 A 95.288 1 ATOM 672 N N . THR 86 86 ? A 0.904 14.766 -20.542 1.000 1 A 95.668 1 ATOM 673 C CA . THR 86 86 ? A 1.512 16.062 -20.822 1.000 1 A 95.668 1 ATOM 674 C C . THR 86 86 ? A 2.756 16.273 -19.965 1.000 1 A 95.668 1 ATOM 675 O O . THR 86 86 ? A 3.478 17.257 -20.141 1.000 1 A 95.668 1 ATOM 676 C CB . THR 86 86 ? A 0.516 17.211 -20.578 1.000 1 A 95.668 1 ATOM 677 O OG1 . THR 86 86 ? A 0.097 17.189 -19.208 1.000 1 A 95.668 1 ATOM 678 C CG2 . THR 86 86 ? A -0.711 17.076 -21.475 1.000 1 A 95.668 1 ATOM 679 N N . ASP 87 87 ? A 2.975 15.346 -18.986 1.000 1 A 94.742 1 ATOM 680 C CA . ASP 87 87 ? A 4.107 15.420 -18.068 1.000 1 A 94.742 1 ATOM 681 C C . ASP 87 87 ? A 4.078 16.719 -17.265 1.000 1 A 94.742 1 ATOM 682 O O . ASP 87 87 ? A 5.122 17.328 -17.023 1.000 1 A 94.742 1 ATOM 683 C CB . ASP 87 87 ? A 5.427 15.304 -18.833 1.000 1 A 94.742 1 ATOM 684 C CG . ASP 87 87 ? A 6.608 14.989 -17.932 1.000 1 A 94.742 1 ATOM 685 O OD1 . ASP 87 87 ? A 6.414 14.361 -16.869 1.000 1 A 94.742 1 ATOM 686 O OD2 . ASP 87 87 ? A 7.743 15.374 -18.287 1.000 1 A 94.742 1 ATOM 687 N N . GLN 88 88 ? A 2.912 17.182 -16.920 1.000 1 A 95.786 1 ATOM 688 C CA . GLN 88 88 ? A 2.726 18.363 -16.084 1.000 1 A 95.786 1 ATOM 689 C C . GLN 88 88 ? A 2.409 17.972 -14.643 1.000 1 A 95.786 1 ATOM 690 O O . GLN 88 88 ? A 1.652 17.030 -14.402 1.000 1 A 95.786 1 ATOM 691 C CB . GLN 88 88 ? A 1.613 19.249 -16.644 1.000 1 A 95.786 1 ATOM 692 C CG . GLN 88 88 ? A 1.948 19.882 -17.988 1.000 1 A 95.786 1 ATOM 693 C CD . GLN 88 88 ? A 3.099 20.867 -17.902 1.000 1 A 95.786 1 ATOM 694 O OE1 . GLN 88 88 ? A 3.251 21.578 -16.904 1.000 1 A 95.786 1 ATOM 695 N NE2 . GLN 88 88 ? A 3.916 20.917 -18.948 1.000 1 A 95.786 1 ATOM 696 N N . GLU 89 89 ? A 2.987 18.705 -13.777 1.000 1 A 94.885 1 ATOM 697 C CA . GLU 89 89 ? A 2.798 18.434 -12.355 1.000 1 A 94.885 1 ATOM 698 C C . GLU 89 89 ? A 1.997 19.546 -11.684 1.000 1 A 94.885 1 ATOM 699 O O . GLU 89 89 ? A 2.095 20.712 -12.074 1.000 1 A 94.885 1 ATOM 700 C CB . GLU 89 89 ? A 4.149 18.263 -11.655 1.000 1 A 94.885 1 ATOM 701 C CG . GLU 89 89 ? A 4.959 19.548 -11.558 1.000 1 A 94.885 1 ATOM 702 C CD . GLU 89 89 ? A 6.307 19.357 -10.883 1.000 1 A 94.885 1 ATOM 703 O OE1 . GLU 89 89 ? A 6.944 20.367 -10.505 1.000 1 A 94.885 1 ATOM 704 O OE2 . GLU 89 89 ? A 6.730 18.190 -10.730 1.000 1 A 94.885 1 ATOM 705 N N . ASN 90 90 ? A 1.135 19.170 -10.758 1.000 1 A 95.132 1 ATOM 706 C CA . ASN 90 90 ? A 0.333 20.095 -9.963 1.000 1 A 95.132 1 ATOM 707 C C . ASN 90 90 ? A 0.388 19.751 -8.478 1.000 1 A 95.132 1 ATOM 708 O O . ASN 90 90 ? A 0.081 18.624 -8.086 1.000 1 A 95.132 1 ATOM 709 C CB . ASN 90 90 ? A -1.116 20.107 -10.453 1.000 1 A 95.132 1 ATOM 710 C CG . ASN 90 90 ? A -1.252 20.647 -11.863 1.000 1 A 95.132 1 ATOM 711 O OD1 . ASN 90 90 ? A -0.512 21.546 -12.270 1.000 1 A 95.132 1 ATOM 712 N ND2 . ASN 90 90 ? A -2.198 20.102 -12.619 1.000 1 A 95.132 1 ATOM 713 N N . LEU 91 91 ? A 0.844 20.720 -7.675 1.000 1 A 96.732 1 ATOM 714 C CA . LEU 91 91 ? A 0.748 20.560 -6.228 1.000 1 A 96.732 1 ATOM 715 C C . LEU 91 91 ? A -0.691 20.739 -5.756 1.000 1 A 96.732 1 ATOM 716 O O . LEU 91 91 ? A -1.234 21.845 -5.811 1.000 1 A 96.732 1 ATOM 717 C CB . LEU 91 91 ? A 1.660 21.564 -5.517 1.000 1 A 96.732 1 ATOM 718 C CG . LEU 91 91 ? A 1.605 21.564 -3.988 1.000 1 A 96.732 1 ATOM 719 C CD1 . LEU 91 91 ? A 2.087 20.224 -3.441 1.000 1 A 96.732 1 ATOM 720 C CD2 . LEU 91 91 ? A 2.439 22.709 -3.423 1.000 1 A 96.732 1 ATOM 721 N N . VAL 92 92 ? A -1.276 19.658 -5.314 1.000 1 A 97.168 1 ATOM 722 C CA . VAL 92 92 ? A -2.687 19.642 -4.943 1.000 1 A 97.168 1 ATOM 723 C C . VAL 92 92 ? A -2.857 20.209 -3.535 1.000 1 A 97.168 1 ATOM 724 O O . VAL 92 92 ? A -3.763 21.009 -3.287 1.000 1 A 97.168 1 ATOM 725 C CB . VAL 92 92 ? A -3.277 18.216 -5.018 1.000 1 A 97.168 1 ATOM 726 C CG1 . VAL 92 92 ? A -4.719 18.202 -4.514 1.000 1 A 97.168 1 ATOM 727 C CG2 . VAL 92 92 ? A -3.203 17.683 -6.448 1.000 1 A 97.168 1 ATOM 728 N N . GLY 93 93 ? A -1.976 19.792 -2.606 1.000 1 A 97.487 1 ATOM 729 C CA . GLY 93 93 ? A -2.041 20.189 -1.209 1.000 1 A 97.487 1 ATOM 730 C C . GLY 93 93 ? A -0.943 19.574 -0.362 1.000 1 A 97.487 1 ATOM 731 O O . GLY 93 93 ? A 0.039 19.051 -0.893 1.000 1 A 97.487 1 ATOM 732 N N . THR 94 94 ? A -1.100 19.766 0.994 1.000 1 A 98.209 1 ATOM 733 C CA . THR 94 94 ? A -0.052 19.284 1.887 1.000 1 A 98.209 1 ATOM 734 C C . THR 94 94 ? A -0.654 18.703 3.163 1.000 1 A 98.209 1 ATOM 735 O O . THR 94 94 ? A -1.823 18.946 3.472 1.000 1 A 98.209 1 ATOM 736 C CB . THR 94 94 ? A 0.935 20.409 2.248 1.000 1 A 98.209 1 ATOM 737 O OG1 . THR 94 94 ? A 0.235 21.443 2.952 1.000 1 A 98.209 1 ATOM 738 C CG2 . THR 94 94 ? A 1.573 21.004 0.997 1.000 1 A 98.209 1 ATOM 739 N N . HIS 95 95 ? A 0.127 17.763 3.794 1.000 1 A 98.592 1 ATOM 740 C CA . HIS 95 95 ? A -0.058 17.357 5.182 1.000 1 A 98.592 1 ATOM 741 C C . HIS 95 95 ? A 0.991 17.993 6.087 1.000 1 A 98.592 1 ATOM 742 O O . HIS 95 95 ? A 1.963 18.578 5.603 1.000 1 A 98.592 1 ATOM 743 C CB . HIS 95 95 ? A -0.004 15.833 5.307 1.000 1 A 98.592 1 ATOM 744 C CG . HIS 95 95 ? A -1.265 15.151 4.880 1.000 1 A 98.592 1 ATOM 745 N ND1 . HIS 95 95 ? A -2.234 14.751 5.774 1.000 1 A 98.592 1 ATOM 746 C CD2 . HIS 95 95 ? A -1.714 14.802 3.651 1.000 1 A 98.592 1 ATOM 747 C CE1 . HIS 95 95 ? A -3.227 14.182 5.112 1.000 1 A 98.592 1 ATOM 748 N NE2 . HIS 95 95 ? A -2.937 14.201 3.822 1.000 1 A 98.592 1 ATOM 749 N N . ASP 96 96 ? A 0.802 17.986 7.409 1.000 1 A 98.316 1 ATOM 750 C CA . ASP 96 96 ? A 1.734 18.553 8.380 1.000 1 A 98.316 1 ATOM 751 C C . ASP 96 96 ? A 2.886 17.591 8.662 1.000 1 A 98.316 1 ATOM 752 O O . ASP 96 96 ? A 3.899 17.981 9.246 1.000 1 A 98.316 1 ATOM 753 C CB . ASP 96 96 ? A 1.008 18.900 9.681 1.000 1 A 98.316 1 ATOM 754 C CG . ASP 96 96 ? A 0.020 20.042 9.522 1.000 1 A 98.316 1 ATOM 755 O OD1 . ASP 96 96 ? A 0.260 20.946 8.693 1.000 1 A 98.316 1 ATOM 756 O OD2 . ASP 96 96 ? A -1.007 20.040 10.236 1.000 1 A 98.316 1 ATOM 757 N N . ALA 97 97 ? A 2.753 16.347 8.323 1.000 1 A 98.441 1 ATOM 758 C CA . ALA 97 97 ? A 3.760 15.292 8.396 1.000 1 A 98.441 1 ATOM 759 C C . ALA 97 97 ? A 3.708 14.397 7.162 1.000 1 A 98.441 1 ATOM 760 O O . ALA 97 97 ? A 2.903 14.625 6.256 1.000 1 A 98.441 1 ATOM 761 C CB . ALA 97 97 ? A 3.568 14.460 9.662 1.000 1 A 98.441 1 ATOM 762 N N . PRO 98 98 ? A 4.601 13.484 6.972 1.000 1 A 98.568 1 ATOM 763 C CA . PRO 98 98 ? A 4.666 12.642 5.775 1.000 1 A 98.568 1 ATOM 764 C C . PRO 98 98 ? A 3.324 12.002 5.430 1.000 1 A 98.568 1 ATOM 765 O O . PRO 98 98 ? A 2.574 11.609 6.328 1.000 1 A 98.568 1 ATOM 766 C CB . PRO 98 98 ? A 5.700 11.577 6.149 1.000 1 A 98.568 1 ATOM 767 C CG . PRO 98 98 ? A 6.631 12.264 7.095 1.000 1 A 98.568 1 ATOM 768 C CD . PRO 98 98 ? A 5.824 13.147 8.003 1.000 1 A 98.568 1 ATOM 769 N N . ILE 99 99 ? A 3.097 11.922 4.102 1.000 1 A 98.641 1 ATOM 770 C CA . ILE 99 99 ? A 1.929 11.240 3.554 1.000 1 A 98.641 1 ATOM 771 C C . ILE 99 99 ? A 2.248 9.763 3.336 1.000 1 A 98.641 1 ATOM 772 O O . ILE 99 99 ? A 3.009 9.413 2.431 1.000 1 A 98.641 1 ATOM 773 C CB . ILE 99 99 ? A 1.466 11.890 2.230 1.000 1 A 98.641 1 ATOM 774 C CG1 . ILE 99 99 ? A 1.141 13.372 2.448 1.000 1 A 98.641 1 ATOM 775 C CG2 . ILE 99 99 ? A 0.258 11.143 1.657 1.000 1 A 98.641 1 ATOM 776 C CD1 . ILE 99 99 ? A 0.861 14.139 1.163 1.000 1 A 98.641 1 ATOM 777 N N . ARG 100 100 ? A 1.691 8.876 4.125 1.000 1 A 98.403 1 ATOM 778 C CA . ARG 100 100 ? A 1.992 7.449 4.100 1.000 1 A 98.403 1 ATOM 779 C C . ARG 100 100 ? A 1.160 6.732 3.042 1.000 1 A 98.403 1 ATOM 780 O O . ARG 100 100 ? A 1.652 5.826 2.367 1.000 1 A 98.403 1 ATOM 781 C CB . ARG 100 100 ? A 1.744 6.823 5.474 1.000 1 A 98.403 1 ATOM 782 C CG . ARG 100 100 ? A 1.901 5.311 5.500 1.000 1 A 98.403 1 ATOM 783 C CD . ARG 100 100 ? A 3.317 4.885 5.137 1.000 1 A 98.403 1 ATOM 784 N NE . ARG 100 100 ? A 3.467 3.432 5.164 1.000 1 A 98.403 1 ATOM 785 C CZ . ARG 100 100 ? A 3.189 2.623 4.146 1.000 1 A 98.403 1 ATOM 786 N NH1 . ARG 100 100 ? A 2.739 3.110 2.996 1.000 1 A 98.403 1 ATOM 787 N NH2 . ARG 100 100 ? A 3.361 1.316 4.279 1.000 1 A 98.403 1 ATOM 788 N N . CYS 101 101 ? A -0.174 7.092 2.909 1.000 1 A 98.289 1 ATOM 789 C CA . CYS 101 101 ? A -1.077 6.364 2.026 1.000 1 A 98.289 1 ATOM 790 C C . CYS 101 101 ? A -1.806 7.316 1.085 1.000 1 A 98.289 1 ATOM 791 O O . CYS 101 101 ? A -2.248 8.388 1.500 1.000 1 A 98.289 1 ATOM 792 C CB . CYS 101 101 ? A -2.092 5.561 2.840 1.000 1 A 98.289 1 ATOM 793 S SG . CYS 101 101 ? A -1.343 4.511 4.105 1.000 1 A 98.289 1 ATOM 794 N N . VAL 102 102 ? A -1.900 6.931 -0.207 1.000 1 A 98.601 1 ATOM 795 C CA . VAL 102 102 ? A -2.689 7.606 -1.233 1.000 1 A 98.601 1 ATOM 796 C C . VAL 102 102 ? A -3.616 6.603 -1.916 1.000 1 A 98.601 1 ATOM 797 O O . VAL 102 102 ? A -3.155 5.612 -2.487 1.000 1 A 98.601 1 ATOM 798 C CB . VAL 102 102 ? A -1.786 8.296 -2.280 1.000 1 A 98.601 1 ATOM 799 C CG1 . VAL 102 102 ? A -2.626 9.103 -3.269 1.000 1 A 98.601 1 ATOM 800 C CG2 . VAL 102 102 ? A -0.759 9.193 -1.591 1.000 1 A 98.601 1 ATOM 801 N N . GLU 103 103 ? A -4.943 6.877 -1.892 1.000 1 A 97.987 1 ATOM 802 C CA . GLU 103 103 ? A -5.906 5.939 -2.461 1.000 1 A 97.987 1 ATOM 803 C C . GLU 103 103 ? A -7.068 6.673 -3.123 1.000 1 A 97.987 1 ATOM 804 O O . GLU 103 103 ? A -7.530 7.698 -2.618 1.000 1 A 97.987 1 ATOM 805 C CB . GLU 103 103 ? A -6.431 4.988 -1.382 1.000 1 A 97.987 1 ATOM 806 C CG . GLU 103 103 ? A -7.215 3.806 -1.933 1.000 1 A 97.987 1 ATOM 807 C CD . GLU 103 103 ? A -6.340 2.607 -2.264 1.000 1 A 97.987 1 ATOM 808 O OE1 . GLU 103 103 ? A -6.871 1.585 -2.754 1.000 1 A 97.987 1 ATOM 809 O OE2 . GLU 103 103 ? A -5.114 2.691 -2.032 1.000 1 A 97.987 1 ATOM 810 N N . TYR 104 104 ? A -7.505 6.134 -4.217 1.000 1 A 97.894 1 ATOM 811 C CA . TYR 104 104 ? A -8.659 6.682 -4.921 1.000 1 A 97.894 1 ATOM 812 C C . TYR 104 104 ? A -9.913 5.866 -4.629 1.000 1 A 97.894 1 ATOM 813 O O . TYR 104 104 ? A -9.887 4.635 -4.686 1.000 1 A 97.894 1 ATOM 814 C CB . TYR 104 104 ? A -8.400 6.719 -6.430 1.000 1 A 97.894 1 ATOM 815 C CG . TYR 104 104 ? A -9.607 7.120 -7.243 1.000 1 A 97.894 1 ATOM 816 C CD1 . TYR 104 104 ? A -10.099 6.293 -8.250 1.000 1 A 97.894 1 ATOM 817 C CD2 . TYR 104 104 ? A -10.257 8.327 -7.006 1.000 1 A 97.894 1 ATOM 818 C CE1 . TYR 104 104 ? A -11.210 6.659 -9.003 1.000 1 A 97.894 1 ATOM 819 C CE2 . TYR 104 104 ? A -11.369 8.703 -7.753 1.000 1 A 97.894 1 ATOM 820 C CZ . TYR 104 104 ? A -11.837 7.864 -8.747 1.000 1 A 97.894 1 ATOM 821 O OH . TYR 104 104 ? A -12.937 8.231 -9.490 1.000 1 A 97.894 1 ATOM 822 N N . CYS 105 105 ? A -11.012 6.552 -4.333 1.000 1 A 97.443 1 ATOM 823 C CA . CYS 105 105 ? A -12.323 5.937 -4.159 1.000 1 A 97.443 1 ATOM 824 C C . CYS 105 105 ? A -13.234 6.251 -5.340 1.000 1 A 97.443 1 ATOM 825 O O . CYS 105 105 ? A -13.810 7.338 -5.413 1.000 1 A 97.443 1 ATOM 826 C CB . CYS 105 105 ? A -12.972 6.417 -2.861 1.000 1 A 97.443 1 ATOM 827 S SG . CYS 105 105 ? A -14.585 5.672 -2.535 1.000 1 A 97.443 1 ATOM 828 N N . PRO 106 106 ? A -13.436 5.271 -6.211 1.000 1 A 95.860 1 ATOM 829 C CA . PRO 106 106 ? A -14.215 5.521 -7.426 1.000 1 A 95.860 1 ATOM 830 C C . PRO 106 106 ? A -15.697 5.750 -7.140 1.000 1 A 95.860 1 ATOM 831 O O . PRO 106 106 ? A -16.359 6.503 -7.858 1.000 1 A 95.860 1 ATOM 832 C CB . PRO 106 106 ? A -14.007 4.246 -8.247 1.000 1 A 95.860 1 ATOM 833 C CG . PRO 106 106 ? A -13.585 3.215 -7.250 1.000 1 A 95.860 1 ATOM 834 C CD . PRO 106 106 ? A -12.824 3.899 -6.151 1.000 1 A 95.860 1 ATOM 835 N N . GLU 107 107 ? A -16.300 5.160 -6.143 1.000 1 A 96.196 1 ATOM 836 C CA . GLU 107 107 ? A -17.722 5.233 -5.819 1.000 1 A 96.196 1 ATOM 837 C C . GLU 107 107 ? A -18.125 6.648 -5.415 1.000 1 A 96.196 1 ATOM 838 O O . GLU 107 107 ? A -19.199 7.124 -5.788 1.000 1 A 96.196 1 ATOM 839 C CB . GLU 107 107 ? A -18.070 4.247 -4.701 1.000 1 A 96.196 1 ATOM 840 C CG . GLU 107 107 ? A -18.124 2.795 -5.156 1.000 1 A 96.196 1 ATOM 841 C CD . GLU 107 107 ? A -16.750 2.163 -5.309 1.000 1 A 96.196 1 ATOM 842 O OE1 . GLU 107 107 ? A -16.664 1.002 -5.768 1.000 1 A 96.196 1 ATOM 843 O OE2 . GLU 107 107 ? A -15.751 2.834 -4.965 1.000 1 A 96.196 1 ATOM 844 N N . VAL 108 108 ? A -17.254 7.368 -4.727 1.000 1 A 96.750 1 ATOM 845 C CA . VAL 108 108 ? A -17.547 8.715 -4.248 1.000 1 A 96.750 1 ATOM 846 C C . VAL 108 108 ? A -16.749 9.736 -5.057 1.000 1 A 96.750 1 ATOM 847 O O . VAL 108 108 ? A -16.992 10.941 -4.960 1.000 1 A 96.750 1 ATOM 848 C CB . VAL 108 108 ? A -17.231 8.864 -2.743 1.000 1 A 96.750 1 ATOM 849 C CG1 . VAL 108 108 ? A -17.610 10.258 -2.247 1.000 1 A 96.750 1 ATOM 850 C CG2 . VAL 108 108 ? A -17.959 7.790 -1.937 1.000 1 A 96.750 1 ATOM 851 N N . ASN 109 109 ? A -15.819 9.287 -5.802 1.000 1 A 96.449 1 ATOM 852 C CA . ASN 109 109 ? A -14.956 10.112 -6.641 1.000 1 A 96.449 1 ATOM 853 C C . ASN 109 109 ? A -14.117 11.075 -5.807 1.000 1 A 96.449 1 ATOM 854 O O . ASN 109 109 ? A -14.110 12.281 -6.063 1.000 1 A 96.449 1 ATOM 855 C CB . ASN 109 109 ? A -15.786 10.884 -7.669 1.000 1 A 96.449 1 ATOM 856 C CG . ASN 109 109 ? A -14.938 11.479 -8.776 1.000 1 A 96.449 1 ATOM 857 O OD1 . ASN 109 109 ? A -13.863 10.965 -9.096 1.000 1 A 96.449 1 ATOM 858 N ND2 . ASN 109 109 ? A -15.416 12.567 -9.369 1.000 1 A 96.449 1 ATOM 859 N N . VAL 110 110 ? A -13.344 10.516 -4.879 1.000 1 A 97.363 1 ATOM 860 C CA . VAL 110 110 ? A -12.475 11.315 -4.023 1.000 1 A 97.363 1 ATOM 861 C C . VAL 110 110 ? A -11.118 10.630 -3.881 1.000 1 A 97.363 1 ATOM 862 O O . VAL 110 110 ? A -11.031 9.400 -3.894 1.000 1 A 97.363 1 ATOM 863 C CB . VAL 110 110 ? A -13.105 11.544 -2.630 1.000 1 A 97.363 1 ATOM 864 C CG1 . VAL 110 110 ? A -14.333 12.446 -2.735 1.000 1 A 97.363 1 ATOM 865 C CG2 . VAL 110 110 ? A -13.472 10.209 -1.985 1.000 1 A 97.363 1 ATOM 866 N N . MET 111 111 ? A -10.118 11.462 -3.849 1.000 1 A 98.220 1 ATOM 867 C CA . MET 111 111 ? A -8.802 10.981 -3.437 1.000 1 A 98.220 1 ATOM 868 C C . MET 111 111 ? A -8.651 11.041 -1.921 1.000 1 A 98.220 1 ATOM 869 O O . MET 111 111 ? A -9.034 12.030 -1.293 1.000 1 A 98.220 1 ATOM 870 C CB . MET 111 111 ? A -7.696 11.798 -4.106 1.000 1 A 98.220 1 ATOM 871 C CG . MET 111 111 ? A -7.669 11.670 -5.620 1.000 1 A 98.220 1 ATOM 872 S SD . MET 111 111 ? A -7.403 9.942 -6.175 1.000 1 A 98.220 1 ATOM 873 C CE . MET 111 111 ? A -5.739 9.646 -5.514 1.000 1 A 98.220 1 ATOM 874 N N . VAL 112 112 ? A -8.090 9.976 -1.368 1.000 1 A 98.560 1 ATOM 875 C CA . VAL 112 112 ? A -7.930 9.907 0.081 1.000 1 A 98.560 1 ATOM 876 C C . VAL 112 112 ? A -6.450 9.767 0.431 1.000 1 A 98.560 1 ATOM 877 O O . VAL 112 112 ? A -5.739 8.954 -0.164 1.000 1 A 98.560 1 ATOM 878 C CB . VAL 112 112 ? A -8.734 8.735 0.685 1.000 1 A 98.560 1 ATOM 879 C CG1 . VAL 112 112 ? A -8.666 8.764 2.211 1.000 1 A 98.560 1 ATOM 880 C CG2 . VAL 112 112 ? A -10.186 8.784 0.212 1.000 1 A 98.560 1 ATOM 881 N N . THR 113 113 ? A -6.017 10.571 1.423 1.000 1 A 98.802 1 ATOM 882 C CA . THR 113 113 ? A -4.646 10.463 1.909 1.000 1 A 98.802 1 ATOM 883 C C . THR 113 113 ? A -4.623 10.259 3.421 1.000 1 A 98.802 1 ATOM 884 O O . THR 113 113 ? A -5.469 10.797 4.138 1.000 1 A 98.802 1 ATOM 885 C CB . THR 113 113 ? A -3.825 11.714 1.545 1.000 1 A 98.802 1 ATOM 886 O OG1 . THR 113 113 ? A -4.457 12.873 2.103 1.000 1 A 98.802 1 ATOM 887 C CG2 . THR 113 113 ? A -3.723 11.884 0.032 1.000 1 A 98.802 1 ATOM 888 N N . GLY 114 114 ? A -3.756 9.438 3.892 1.000 1 A 98.609 1 ATOM 889 C CA . GLY 114 114 ? A -3.445 9.224 5.296 1.000 1 A 98.609 1 ATOM 890 C C . GLY 114 114 ? A -2.024 9.613 5.658 1.000 1 A 98.609 1 ATOM 891 O O . GLY 114 114 ? A -1.076 9.237 4.964 1.000 1 A 98.609 1 ATOM 892 N N . SER 115 115 ? A -1.881 10.278 6.768 1.000 1 A 98.675 1 ATOM 893 C CA . SER 115 115 ? A -0.582 10.871 7.070 1.000 1 A 98.675 1 ATOM 894 C C . SER 115 115 ? A -0.133 10.525 8.486 1.000 1 A 98.675 1 ATOM 895 O O . SER 115 115 ? A -0.955 10.173 9.335 1.000 1 A 98.675 1 ATOM 896 C CB . SER 115 115 ? A -0.632 12.390 6.899 1.000 1 A 98.675 1 ATOM 897 O OG . SER 115 115 ? A 0.556 12.990 7.385 1.000 1 A 98.675 1 ATOM 898 N N . TRP 116 116 ? A 1.095 10.688 8.719 1.000 1 A 98.525 1 ATOM 899 C CA . TRP 116 116 ? A 1.678 10.490 10.042 1.000 1 A 98.525 1 ATOM 900 C C . TRP 116 116 ? A 1.339 11.656 10.966 1.000 1 A 98.525 1 ATOM 901 O O . TRP 116 116 ? A 1.667 11.629 12.154 1.000 1 A 98.525 1 ATOM 902 C CB . TRP 116 116 ? A 3.197 10.327 9.942 1.000 1 A 98.525 1 ATOM 903 C CG . TRP 116 116 ? A 3.630 9.047 9.291 1.000 1 A 98.525 1 ATOM 904 C CD1 . TRP 116 116 ? A 2.836 7.992 8.939 1.000 1 A 98.525 1 ATOM 905 C CD2 . TRP 116 116 ? A 4.964 8.688 8.919 1.000 1 A 98.525 1 ATOM 906 N NE1 . TRP 116 116 ? A 3.596 6.997 8.369 1.000 1 A 98.525 1 ATOM 907 C CE2 . TRP 116 116 ? A 4.905 7.398 8.345 1.000 1 A 98.525 1 ATOM 908 C CE3 . TRP 116 116 ? A 6.205 9.331 9.014 1.000 1 A 98.525 1 ATOM 909 C CZ2 . TRP 116 116 ? A 6.041 6.740 7.868 1.000 1 A 98.525 1 ATOM 910 C CZ3 . TRP 116 116 ? A 7.335 8.675 8.539 1.000 1 A 98.525 1 ATOM 911 C CH2 . TRP 116 116 ? A 7.242 7.392 7.973 1.000 1 A 98.525 1 ATOM 912 N N . ASP 117 117 ? A 0.736 12.617 10.445 1.000 1 A 98.343 1 ATOM 913 C CA . ASP 117 117 ? A 0.281 13.740 11.259 1.000 1 A 98.343 1 ATOM 914 C C . ASP 117 117 ? A -1.051 13.423 11.935 1.000 1 A 98.343 1 ATOM 915 O O . ASP 117 117 ? A -1.725 14.323 12.442 1.000 1 A 98.343 1 ATOM 916 C CB . ASP 117 117 ? A 0.151 15.003 10.406 1.000 1 A 98.343 1 ATOM 917 C CG . ASP 117 117 ? A -0.932 14.894 9.346 1.000 1 A 98.343 1 ATOM 918 O OD1 . ASP 117 117 ? A -1.645 13.869 9.306 1.000 1 A 98.343 1 ATOM 919 O OD2 . ASP 117 117 ? A -1.070 15.841 8.542 1.000 1 A 98.343 1 ATOM 920 N N . GLN 118 118 ? A -1.481 12.166 11.818 1.000 1 A 98.490 1 ATOM 921 C CA . GLN 118 118 ? A -2.678 11.648 12.473 1.000 1 A 98.490 1 ATOM 922 C C . GLN 118 118 ? A -3.943 12.188 11.812 1.000 1 A 98.490 1 ATOM 923 O O . GLN 118 118 ? A -4.927 12.486 12.492 1.000 1 A 98.490 1 ATOM 924 C CB . GLN 118 118 ? A -2.672 12.001 13.961 1.000 1 A 98.490 1 ATOM 925 C CG . GLN 118 118 ? A -1.442 11.501 14.706 1.000 1 A 98.490 1 ATOM 926 C CD . GLN 118 118 ? A -1.456 11.871 16.177 1.000 1 A 98.490 1 ATOM 927 O OE1 . GLN 118 118 ? A -2.086 11.194 16.996 1.000 1 A 98.490 1 ATOM 928 N NE2 . GLN 118 118 ? A -0.763 12.950 16.524 1.000 1 A 98.490 1 ATOM 929 N N . THR 119 119 ? A -3.876 12.430 10.502 1.000 1 A 98.583 1 ATOM 930 C CA . THR 119 119 ? A -5.069 12.890 9.799 1.000 1 A 98.583 1 ATOM 931 C C . THR 119 119 ? A -5.288 12.086 8.521 1.000 1 A 98.583 1 ATOM 932 O O . THR 119 119 ? A -4.340 11.537 7.957 1.000 1 A 98.583 1 ATOM 933 C CB . THR 119 119 ? A -4.973 14.388 9.457 1.000 1 A 98.583 1 ATOM 934 O OG1 . THR 119 119 ? A -3.893 14.593 8.537 1.000 1 A 98.583 1 ATOM 935 C CG2 . THR 119 119 ? A -4.724 15.224 10.708 1.000 1 A 98.583 1 ATOM 936 N N . VAL 120 120 ? A -6.542 11.953 8.166 1.000 1 A 98.582 1 ATOM 937 C CA . VAL 120 120 ? A -6.999 11.539 6.843 1.000 1 A 98.582 1 ATOM 938 C C . VAL 120 120 ? A -7.619 12.729 6.115 1.000 1 A 98.582 1 ATOM 939 O O . VAL 120 120 ? A -8.462 13.436 6.672 1.000 1 A 98.582 1 ATOM 940 C CB . VAL 120 120 ? A -8.016 10.379 6.931 1.000 1 A 98.582 1 ATOM 941 C CG1 . VAL 120 120 ? A -8.657 10.119 5.569 1.000 1 A 98.582 1 ATOM 942 C CG2 . VAL 120 120 ? A -7.339 9.115 7.457 1.000 1 A 98.582 1 ATOM 943 N N . LYS 121 121 ? A -7.136 12.991 4.902 1.000 1 A 98.547 1 ATOM 944 C CA . LYS 121 121 ? A -7.695 14.090 4.120 1.000 1 A 98.547 1 ATOM 945 C C . LYS 121 121 ? A -8.372 13.575 2.854 1.000 1 A 98.547 1 ATOM 946 O O . LYS 121 121 ? A -7.931 12.585 2.266 1.000 1 A 98.547 1 ATOM 947 C CB . LYS 121 121 ? A -6.605 15.100 3.758 1.000 1 A 98.547 1 ATOM 948 C CG . LYS 121 121 ? A -6.077 15.894 4.944 1.000 1 A 98.547 1 ATOM 949 C CD . LYS 121 121 ? A -5.051 16.932 4.510 1.000 1 A 98.547 1 ATOM 950 C CE . LYS 121 121 ? A -4.603 17.800 5.678 1.000 1 A 98.547 1 ATOM 951 N NZ . LYS 121 121 ? A -3.880 19.022 5.216 1.000 1 A 98.547 1 ATOM 952 N N . LEU 122 122 ? A -9.442 14.239 2.486 1.000 1 A 98.323 1 ATOM 953 C CA . LEU 122 122 ? A -10.160 13.979 1.243 1.000 1 A 98.323 1 ATOM 954 C C . LEU 122 122 ? A -9.906 15.087 0.227 1.000 1 A 98.323 1 ATOM 955 O O . LEU 122 122 ? A -9.933 16.270 0.572 1.000 1 A 98.323 1 ATOM 956 C CB . LEU 122 122 ? A -11.662 13.850 1.510 1.000 1 A 98.323 1 ATOM 957 C CG . LEU 122 122 ? A -12.077 12.827 2.569 1.000 1 A 98.323 1 ATOM 958 C CD1 . LEU 122 122 ? A -13.597 12.745 2.659 1.000 1 A 98.323 1 ATOM 959 C CD2 . LEU 122 122 ? A -11.481 11.459 2.255 1.000 1 A 98.323 1 ATOM 960 N N . TRP 123 123 ? A -9.644 14.634 -0.974 1.000 1 A 98.061 1 ATOM 961 C CA . TRP 123 123 ? A -9.336 15.583 -2.038 1.000 1 A 98.061 1 ATOM 962 C C . TRP 123 123 ? A -10.271 15.390 -3.227 1.000 1 A 98.061 1 ATOM 963 O O . TRP 123 123 ? A -10.507 14.260 -3.662 1.000 1 A 98.061 1 ATOM 964 C CB . TRP 123 123 ? A -7.880 15.433 -2.488 1.000 1 A 98.061 1 ATOM 965 C CG . TRP 123 123 ? A -6.893 15.414 -1.360 1.000 1 A 98.061 1 ATOM 966 C CD1 . TRP 123 123 ? A -6.484 14.325 -0.641 1.000 1 A 98.061 1 ATOM 967 C CD2 . TRP 123 123 ? A -6.194 16.538 -0.818 1.000 1 A 98.061 1 ATOM 968 N NE1 . TRP 123 123 ? A -5.571 14.705 0.315 1.000 1 A 98.061 1 ATOM 969 C CE2 . TRP 123 123 ? A -5.376 16.057 0.228 1.000 1 A 98.061 1 ATOM 970 C CE3 . TRP 123 123 ? A -6.179 17.907 -1.116 1.000 1 A 98.061 1 ATOM 971 C CZ2 . TRP 123 123 ? A -4.550 16.898 0.978 1.000 1 A 98.061 1 ATOM 972 C CZ3 . TRP 123 123 ? A -5.357 18.743 -0.368 1.000 1 A 98.061 1 ATOM 973 C CH2 . TRP 123 123 ? A -4.555 18.233 0.666 1.000 1 A 98.061 1 ATOM 974 N N . ASP 124 124 ? A -10.841 16.437 -3.697 1.000 1 A 95.592 1 ATOM 975 C CA . ASP 124 124 ? A -11.644 16.400 -4.915 1.000 1 A 95.592 1 ATOM 976 C C . ASP 124 124 ? A -10.761 16.494 -6.158 1.000 1 A 95.592 1 ATOM 977 O O . ASP 124 124 ? A -10.198 17.551 -6.447 1.000 1 A 95.592 1 ATOM 978 C CB . ASP 124 124 ? A -12.673 17.533 -4.915 1.000 1 A 95.592 1 ATOM 979 C CG . ASP 124 124 ? A -13.639 17.457 -6.084 1.000 1 A 95.592 1 ATOM 980 O OD1 . ASP 124 124 ? A -13.402 16.665 -7.021 1.000 1 A 95.592 1 ATOM 981 O OD2 . ASP 124 124 ? A -14.645 18.199 -6.070 1.000 1 A 95.592 1 ATOM 982 N N . PRO 125 125 ? A -10.697 15.385 -6.917 1.000 1 A 94.093 1 ATOM 983 C CA . PRO 125 125 ? A -9.784 15.379 -8.062 1.000 1 A 94.093 1 ATOM 984 C C . PRO 125 125 ? A -10.261 16.275 -9.202 1.000 1 A 94.093 1 ATOM 985 O O . PRO 125 125 ? A -9.470 16.646 -10.073 1.000 1 A 94.093 1 ATOM 986 C CB . PRO 125 125 ? A -9.768 13.910 -8.492 1.000 1 A 94.093 1 ATOM 987 C CG . PRO 125 125 ? A -11.068 13.355 -8.005 1.000 1 A 94.093 1 ATOM 988 C CD . PRO 125 125 ? A -11.436 14.054 -6.728 1.000 1 A 94.093 1 ATOM 989 N N . ARG 126 126 ? A -11.561 16.713 -9.301 1.000 1 A 91.925 1 ATOM 990 C CA . ARG 126 126 ? A -12.106 17.576 -10.345 1.000 1 A 91.925 1 ATOM 991 C C . ARG 126 126 ? A -11.635 19.015 -10.166 1.000 1 A 91.925 1 ATOM 992 O O . ARG 126 126 ? A -11.454 19.741 -11.145 1.000 1 A 91.925 1 ATOM 993 C CB . ARG 126 126 ? A -13.635 17.521 -10.344 1.000 1 A 91.925 1 ATOM 994 C CG . ARG 126 126 ? A -14.201 16.129 -10.577 1.000 1 A 91.925 1 ATOM 995 C CD . ARG 126 126 ? A -15.709 16.091 -10.366 1.000 1 A 91.925 1 ATOM 996 N NE . ARG 126 126 ? A -16.153 14.786 -9.884 1.000 1 A 91.925 1 ATOM 997 C CZ . ARG 126 126 ? A -17.359 14.534 -9.383 1.000 1 A 91.925 1 ATOM 998 N NH1 . ARG 126 126 ? A -18.269 15.496 -9.288 1.000 1 A 91.925 1 ATOM 999 N NH2 . ARG 126 126 ? A -17.658 13.310 -8.973 1.000 1 A 91.925 1 ATOM 1000 N N . THR 127 127 ? A -11.631 19.364 -8.885 1.000 1 A 90.204 1 ATOM 1001 C CA . THR 127 127 ? A -11.007 20.605 -8.438 1.000 1 A 90.204 1 ATOM 1002 C C . THR 127 127 ? A -9.993 20.331 -7.330 1.000 1 A 90.204 1 ATOM 1003 O O . THR 127 127 ? A -10.350 20.287 -6.151 1.000 1 A 90.204 1 ATOM 1004 C CB . THR 127 127 ? A -12.060 21.610 -7.936 1.000 1 A 90.204 1 ATOM 1005 O OG1 . THR 127 127 ? A -13.113 21.712 -8.903 1.000 1 A 90.204 1 ATOM 1006 C CG2 . THR 127 127 ? A -11.446 22.990 -7.723 1.000 1 A 90.204 1 ATOM 1007 N N . PRO 128 128 ? A -8.777 19.943 -7.736 1.000 1 A 84.129 1 ATOM 1008 C CA . PRO 128 128 ? A -7.876 19.325 -6.760 1.000 1 A 84.129 1 ATOM 1009 C C . PRO 128 128 ? A -7.692 20.176 -5.506 1.000 1 A 84.129 1 ATOM 1010 O O . PRO 128 128 ? A -6.779 21.003 -5.445 1.000 1 A 84.129 1 ATOM 1011 C CB . PRO 128 128 ? A -6.559 19.195 -7.529 1.000 1 A 84.129 1 ATOM 1012 C CG . PRO 128 128 ? A -6.953 19.229 -8.971 1.000 1 A 84.129 1 ATOM 1013 C CD . PRO 128 128 ? A -8.200 20.054 -9.105 1.000 1 A 84.129 1 ATOM 1014 N N . CYS 129 129 ? A -8.726 20.248 -4.744 1.000 1 A 90.847 1 ATOM 1015 C CA . CYS 129 129 ? A -8.712 20.950 -3.465 1.000 1 A 90.847 1 ATOM 1016 C C . CYS 129 129 ? A -9.049 20.003 -2.320 1.000 1 A 90.847 1 ATOM 1017 O O . CYS 129 129 ? A -9.567 18.908 -2.546 1.000 1 A 90.847 1 ATOM 1018 C CB . CYS 129 129 ? A -9.700 22.116 -3.482 1.000 1 A 90.847 1 ATOM 1019 S SG . CYS 129 129 ? A -11.423 21.607 -3.670 1.000 1 A 90.847 1 ATOM 1020 N N . ASN 130 130 ? A -8.665 20.450 -1.187 1.000 1 A 95.798 1 ATOM 1021 C CA . ASN 130 130 ? A -8.967 19.703 0.029 1.000 1 A 95.798 1 ATOM 1022 C C . ASN 130 130 ? A -10.456 19.750 0.360 1.000 1 A 95.798 1 ATOM 1023 O O . ASN 130 130 ? A -11.005 20.822 0.620 1.000 1 A 95.798 1 ATOM 1024 C CB . ASN 130 130 ? A -8.144 20.234 1.204 1.000 1 A 95.798 1 ATOM 1025 C CG . ASN 130 130 ? A -8.339 19.420 2.468 1.000 1 A 95.798 1 ATOM 1026 O OD1 . ASN 130 130 ? A -8.934 18.340 2.440 1.000 1 A 95.798 1 ATOM 1027 N ND2 . ASN 130 130 ? A -7.837 19.932 3.586 1.000 1 A 95.798 1 ATOM 1028 N N . ALA 131 131 ? A -11.124 18.592 0.369 1.000 1 A 95.460 1 ATOM 1029 C CA . ALA 131 131 ? A -12.557 18.480 0.627 1.000 1 A 95.460 1 ATOM 1030 C C . ALA 131 131 ? A -12.834 18.295 2.117 1.000 1 A 95.460 1 ATOM 1031 O O . ALA 131 131 ? A -13.928 18.603 2.594 1.000 1 A 95.460 1 ATOM 1032 C CB . ALA 131 131 ? A -13.153 17.322 -0.169 1.000 1 A 95.460 1 ATOM 1033 N N . GLY 132 132 ? A -11.850 17.919 2.896 1.000 1 A 96.431 1 ATOM 1034 C CA . GLY 132 132 ? A -12.029 17.689 4.321 1.000 1 A 96.431 1 ATOM 1035 C C . GLY 132 132 ? A -10.802 17.097 4.988 1.000 1 A 96.431 1 ATOM 1036 O O . GLY 132 132 ? A -10.028 16.379 4.351 1.000 1 A 96.431 1 ATOM 1037 N N . THR 133 133 ? A -10.624 17.454 6.273 1.000 1 A 98.066 1 ATOM 1038 C CA . THR 133 133 ? A -9.563 16.917 7.118 1.000 1 A 98.066 1 ATOM 1039 C C . THR 133 133 ? A -10.145 16.260 8.366 1.000 1 A 98.066 1 ATOM 1040 O O . THR 133 133 ? A -10.898 16.889 9.111 1.000 1 A 98.066 1 ATOM 1041 C CB . THR 133 133 ? A -8.567 18.017 7.531 1.000 1 A 98.066 1 ATOM 1042 O OG1 . THR 133 133 ? A -7.996 18.602 6.354 1.000 1 A 98.066 1 ATOM 1043 C CG2 . THR 133 133 ? A -7.448 17.449 8.397 1.000 1 A 98.066 1 ATOM 1044 N N . PHE 134 134 ? A -9.755 15.016 8.552 1.000 1 A 98.081 1 ATOM 1045 C CA . PHE 134 134 ? A -10.349 14.241 9.635 1.000 1 A 98.081 1 ATOM 1046 C C . PHE 134 134 ? A -9.270 13.648 10.532 1.000 1 A 98.081 1 ATOM 1047 O O . PHE 134 134 ? A -8.412 12.895 10.066 1.000 1 A 98.081 1 ATOM 1048 C CB . PHE 134 134 ? A -11.238 13.126 9.075 1.000 1 A 98.081 1 ATOM 1049 C CG . PHE 134 134 ? A -12.288 13.612 8.113 1.000 1 A 98.081 1 ATOM 1050 C CD1 . PHE 134 134 ? A -13.536 14.016 8.570 1.000 1 A 98.081 1 ATOM 1051 C CD2 . PHE 134 134 ? A -12.026 13.665 6.750 1.000 1 A 98.081 1 ATOM 1052 C CE1 . PHE 134 134 ? A -14.510 14.467 7.681 1.000 1 A 98.081 1 ATOM 1053 C CE2 . PHE 134 134 ? A -12.994 14.114 5.856 1.000 1 A 98.081 1 ATOM 1054 C CZ . PHE 134 134 ? A -14.235 14.513 6.324 1.000 1 A 98.081 1 ATOM 1055 N N . SER 135 135 ? A -9.414 13.874 11.809 1.000 1 A 97.851 1 ATOM 1056 C CA . SER 135 135 ? A -8.406 13.476 12.785 1.000 1 A 97.851 1 ATOM 1057 C C . SER 135 135 ? A -8.521 11.993 13.125 1.000 1 A 97.851 1 ATOM 1058 O O . SER 135 135 ? A -9.626 11.454 13.205 1.000 1 A 97.851 1 ATOM 1059 C CB . SER 135 135 ? A -8.533 14.311 14.059 1.000 1 A 97.851 1 ATOM 1060 O OG . SER 135 135 ? A -8.257 15.676 13.796 1.000 1 A 97.851 1 ATOM 1061 N N . GLN 136 136 ? A -7.284 11.393 13.251 1.000 1 A 97.598 1 ATOM 1062 C CA . GLN 136 136 ? A -7.152 10.013 13.707 1.000 1 A 97.598 1 ATOM 1063 C C . GLN 136 136 ? A -6.488 9.949 15.080 1.000 1 A 97.598 1 ATOM 1064 O O . GLN 136 136 ? A -5.812 10.893 15.493 1.000 1 A 97.598 1 ATOM 1065 C CB . GLN 136 136 ? A -6.352 9.188 12.698 1.000 1 A 97.598 1 ATOM 1066 C CG . GLN 136 136 ? A -6.844 9.324 11.264 1.000 1 A 97.598 1 ATOM 1067 C CD . GLN 136 136 ? A -8.308 8.956 11.109 1.000 1 A 97.598 1 ATOM 1068 O OE1 . GLN 136 136 ? A -8.765 7.936 11.633 1.000 1 A 97.598 1 ATOM 1069 N NE2 . GLN 136 136 ? A -9.054 9.785 10.386 1.000 1 A 97.598 1 ATOM 1070 N N . PRO 137 137 ? A -6.840 8.907 15.814 1.000 1 A 97.037 1 ATOM 1071 C CA . PRO 137 137 ? A -6.271 8.811 17.160 1.000 1 A 97.037 1 ATOM 1072 C C . PRO 137 137 ? A -4.745 8.747 17.152 1.000 1 A 97.037 1 ATOM 1073 O O . PRO 137 137 ? A -4.098 9.261 18.068 1.000 1 A 97.037 1 ATOM 1074 C CB . PRO 137 137 ? A -6.870 7.512 17.704 1.000 1 A 97.037 1 ATOM 1075 C CG . PRO 137 137 ? A -7.329 6.766 16.493 1.000 1 A 97.037 1 ATOM 1076 C CD . PRO 137 137 ? A -7.737 7.762 15.446 1.000 1 A 97.037 1 ATOM 1077 N N . GLU 138 138 ? A -4.137 8.034 16.130 1.000 1 A 97.731 1 ATOM 1078 C CA . GLU 138 138 ? A -2.695 7.878 15.960 1.000 1 A 97.731 1 ATOM 1079 C C . GLU 138 138 ? A -2.290 8.044 14.498 1.000 1 A 97.731 1 ATOM 1080 O O . GLU 138 138 ? A -3.140 8.272 13.635 1.000 1 A 97.731 1 ATOM 1081 C CB . GLU 138 138 ? A -2.237 6.514 16.481 1.000 1 A 97.731 1 ATOM 1082 C CG . GLU 138 138 ? A -2.537 6.286 17.956 1.000 1 A 97.731 1 ATOM 1083 C CD . GLU 138 138 ? A -3.902 5.663 18.201 1.000 1 A 97.731 1 ATOM 1084 O OE1 . GLU 138 138 ? A -4.229 5.358 19.370 1.000 1 A 97.731 1 ATOM 1085 O OE2 . GLU 138 138 ? A -4.650 5.477 17.215 1.000 1 A 97.731 1 ATOM 1086 N N . LYS 139 139 ? A -0.988 7.891 14.273 1.000 1 A 98.169 1 ATOM 1087 C CA . LYS 139 139 ? A -0.504 7.970 12.898 1.000 1 A 98.169 1 ATOM 1088 C C . LYS 139 139 ? A -1.216 6.959 12.005 1.000 1 A 98.169 1 ATOM 1089 O O . LYS 139 139 ? A -1.480 5.830 12.425 1.000 1 A 98.169 1 ATOM 1090 C CB . LYS 139 139 ? A 1.008 7.742 12.847 1.000 1 A 98.169 1 ATOM 1091 C CG . LYS 139 139 ? A 1.820 8.814 13.558 1.000 1 A 98.169 1 ATOM 1092 C CD . LYS 139 139 ? A 3.309 8.494 13.535 1.000 1 A 98.169 1 ATOM 1093 C CE . LYS 139 139 ? A 4.123 9.564 14.250 1.000 1 A 98.169 1 ATOM 1094 N NZ . LYS 139 139 ? A 5.568 9.195 14.338 1.000 1 A 98.169 1 ATOM 1095 N N . VAL 140 140 ? A -1.490 7.386 10.862 1.000 1 A 98.343 1 ATOM 1096 C CA . VAL 140 140 ? A -2.097 6.479 9.893 1.000 1 A 98.343 1 ATOM 1097 C C . VAL 140 140 ? A -1.013 5.633 9.228 1.000 1 A 98.343 1 ATOM 1098 O O . VAL 140 140 ? A -0.103 6.168 8.590 1.000 1 A 98.343 1 ATOM 1099 C CB . VAL 140 140 ? A -2.904 7.248 8.823 1.000 1 A 98.343 1 ATOM 1100 C CG1 . VAL 140 140 ? A -3.468 6.287 7.778 1.000 1 A 98.343 1 ATOM 1101 C CG2 . VAL 140 140 ? A -4.027 8.050 9.478 1.000 1 A 98.343 1 ATOM 1102 N N . TYR 141 141 ? A -1.115 4.278 9.329 1.000 1 A 97.868 1 ATOM 1103 C CA . TYR 141 141 ? A -0.122 3.369 8.768 1.000 1 A 97.868 1 ATOM 1104 C C . TYR 141 141 ? A -0.599 2.793 7.440 1.000 1 A 97.868 1 ATOM 1105 O O . TYR 141 141 ? A 0.210 2.502 6.556 1.000 1 A 97.868 1 ATOM 1106 C CB . TYR 141 141 ? A 0.183 2.234 9.749 1.000 1 A 97.868 1 ATOM 1107 C CG . TYR 141 141 ? A 1.194 2.603 10.808 1.000 1 A 97.868 1 ATOM 1108 C CD1 . TYR 141 141 ? A 1.831 3.841 10.789 1.000 1 A 97.868 1 ATOM 1109 C CD2 . TYR 141 141 ? A 1.515 1.714 11.828 1.000 1 A 97.868 1 ATOM 1110 C CE1 . TYR 141 141 ? A 2.765 4.185 11.761 1.000 1 A 97.868 1 ATOM 1111 C CE2 . TYR 141 141 ? A 2.447 2.046 12.805 1.000 1 A 97.868 1 ATOM 1112 C CZ . TYR 141 141 ? A 3.066 3.282 12.764 1.000 1 A 97.868 1 ATOM 1113 O OH . TYR 141 141 ? A 3.989 3.617 13.729 1.000 1 A 97.868 1 ATOM 1114 N N . THR 142 142 ? A -1.896 2.528 7.311 1.000 1 A 98.377 1 ATOM 1115 C CA . THR 142 142 ? A -2.440 1.896 6.114 1.000 1 A 98.377 1 ATOM 1116 C C . THR 142 142 ? A -3.893 2.310 5.897 1.000 1 A 98.377 1 ATOM 1117 O O . THR 142 142 ? A -4.599 2.640 6.852 1.000 1 A 98.377 1 ATOM 1118 C CB . THR 142 142 ? A -2.349 0.361 6.202 1.000 1 A 98.377 1 ATOM 1119 O OG1 . THR 142 142 ? A -2.745 -0.208 4.948 1.000 1 A 98.377 1 ATOM 1120 C CG2 . THR 142 142 ? A -3.256 -0.182 7.302 1.000 1 A 98.377 1 ATOM 1121 N N . LEU 143 143 ? A -4.347 2.344 4.635 1.000 1 A 97.663 1 ATOM 1122 C CA . LEU 143 143 ? A -5.714 2.675 4.250 1.000 1 A 97.663 1 ATOM 1123 C C . LEU 143 143 ? A -6.206 1.750 3.141 1.000 1 A 97.663 1 ATOM 1124 O O . LEU 143 143 ? A -5.406 1.239 2.354 1.000 1 A 97.663 1 ATOM 1125 C CB . LEU 143 143 ? A -5.805 4.133 3.792 1.000 1 A 97.663 1 ATOM 1126 C CG . LEU 143 143 ? A -4.856 4.551 2.669 1.000 1 A 97.663 1 ATOM 1127 C CD1 . LEU 143 143 ? A -5.635 4.798 1.381 1.000 1 A 97.663 1 ATOM 1128 C CD2 . LEU 143 143 ? A -4.067 5.793 3.069 1.000 1 A 97.663 1 ATOM 1129 N N . SER 144 144 ? A -7.465 1.529 3.172 1.000 1 A 98.291 1 ATOM 1130 C CA . SER 144 144 ? A -8.093 0.828 2.057 1.000 1 A 98.291 1 ATOM 1131 C C . SER 144 144 ? A -9.539 1.273 1.868 1.000 1 A 98.291 1 ATOM 1132 O O . SER 144 144 ? A -10.241 1.550 2.843 1.000 1 A 98.291 1 ATOM 1133 C CB . SER 144 144 ? A -8.041 -0.685 2.276 1.000 1 A 98.291 1 ATOM 1134 O OG . SER 144 144 ? A -8.505 -1.376 1.129 1.000 1 A 98.291 1 ATOM 1135 N N . VAL 145 145 ? A -9.965 1.299 0.617 1.000 1 A 97.964 1 ATOM 1136 C CA . VAL 145 145 ? A -11.325 1.705 0.276 1.000 1 A 97.964 1 ATOM 1137 C C . VAL 145 145 ? A -12.155 0.477 -0.090 1.000 1 A 97.964 1 ATOM 1138 O O . VAL 145 145 ? A -11.681 -0.409 -0.805 1.000 1 A 97.964 1 ATOM 1139 C CB . VAL 145 145 ? A -11.338 2.724 -0.886 1.000 1 A 97.964 1 ATOM 1140 C CG1 . VAL 145 145 ? A -12.766 2.970 -1.371 1.000 1 A 97.964 1 ATOM 1141 C CG2 . VAL 145 145 ? A -10.684 4.035 -0.454 1.000 1 A 97.964 1 ATOM 1142 N N . SER 146 146 ? A -13.353 0.380 0.416 1.000 1 A 97.363 1 ATOM 1143 C CA . SER 146 146 ? A -14.356 -0.635 0.113 1.000 1 A 97.363 1 ATOM 1144 C C . SER 146 146 ? A -15.707 -0.001 -0.199 1.000 1 A 97.363 1 ATOM 1145 O O . SER 146 146 ? A -16.446 0.380 0.711 1.000 1 A 97.363 1 ATOM 1146 C CB . SER 146 146 ? A -14.500 -1.612 1.281 1.000 1 A 97.363 1 ATOM 1147 O OG . SER 146 146 ? A -15.423 -2.640 0.966 1.000 1 A 97.363 1 ATOM 1148 N N . GLY 147 147 ? A -16.093 0.104 -1.496 1.000 1 A 96.336 1 ATOM 1149 C CA . GLY 147 147 ? A -17.281 0.858 -1.865 1.000 1 A 96.336 1 ATOM 1150 C C . GLY 147 147 ? A -17.223 2.311 -1.431 1.000 1 A 96.336 1 ATOM 1151 O O . GLY 147 147 ? A -16.322 3.049 -1.835 1.000 1 A 96.336 1 ATOM 1152 N N . ASP 148 148 ? A -18.156 2.704 -0.532 1.000 1 A 96.684 1 ATOM 1153 C CA . ASP 148 148 ? A -18.186 4.069 -0.016 1.000 1 A 96.684 1 ATOM 1154 C C . ASP 148 148 ? A -17.574 4.141 1.382 1.000 1 A 96.684 1 ATOM 1155 O O . ASP 148 148 ? A -17.806 5.102 2.118 1.000 1 A 96.684 1 ATOM 1156 C CB . ASP 148 148 ? A -19.620 4.602 0.009 1.000 1 A 96.684 1 ATOM 1157 C CG . ASP 148 148 ? A -20.564 3.726 0.813 1.000 1 A 96.684 1 ATOM 1158 O OD1 . ASP 148 148 ? A -20.175 2.602 1.198 1.000 1 A 96.684 1 ATOM 1159 O OD2 . ASP 148 148 ? A -21.710 4.161 1.060 1.000 1 A 96.684 1 ATOM 1160 N N . ARG 149 149 ? A -16.945 3.080 1.766 1.000 1 A 97.912 1 ATOM 1161 C CA . ARG 149 149 ? A -16.329 3.024 3.088 1.000 1 A 97.912 1 ATOM 1162 C C . ARG 149 149 ? A -14.812 3.152 2.991 1.000 1 A 97.912 1 ATOM 1163 O O . ARG 149 149 ? A -14.204 2.676 2.030 1.000 1 A 97.912 1 ATOM 1164 C CB . ARG 149 149 ? A -16.701 1.721 3.799 1.000 1 A 97.912 1 ATOM 1165 C CG . ARG 149 149 ? A -18.193 1.554 4.039 1.000 1 A 97.912 1 ATOM 1166 C CD . ARG 149 149 ? A -18.521 0.187 4.623 1.000 1 A 97.912 1 ATOM 1167 N NE . ARG 149 149 ? A -19.961 -0.043 4.680 1.000 1 A 97.912 1 ATOM 1168 C CZ . ARG 149 149 ? A -20.532 -1.210 4.967 1.000 1 A 97.912 1 ATOM 1169 N NH1 . ARG 149 149 ? A -19.791 -2.280 5.229 1.000 1 A 97.912 1 ATOM 1170 N NH2 . ARG 149 149 ? A -21.853 -1.308 4.991 1.000 1 A 97.912 1 ATOM 1171 N N . LEU 150 150 ? A -14.271 3.832 3.976 1.000 1 A 98.576 1 ATOM 1172 C CA . LEU 150 150 ? A -12.826 3.952 4.133 1.000 1 A 98.576 1 ATOM 1173 C C . LEU 150 150 ? A -12.355 3.244 5.399 1.000 1 A 98.576 1 ATOM 1174 O O . LEU 150 150 ? A -12.856 3.520 6.492 1.000 1 A 98.576 1 ATOM 1175 C CB . LEU 150 150 ? A -12.412 5.425 4.174 1.000 1 A 98.576 1 ATOM 1176 C CG . LEU 150 150 ? A -10.939 5.707 4.477 1.000 1 A 98.576 1 ATOM 1177 C CD1 . LEU 150 150 ? A -10.060 5.229 3.327 1.000 1 A 98.576 1 ATOM 1178 C CD2 . LEU 150 150 ? A -10.723 7.194 4.740 1.000 1 A 98.576 1 ATOM 1179 N N . ILE 151 151 ? A -11.444 2.332 5.234 1.000 1 A 98.597 1 ATOM 1180 C CA . ILE 151 151 ? A -10.860 1.613 6.361 1.000 1 A 98.597 1 ATOM 1181 C C . ILE 151 151 ? A -9.478 2.180 6.675 1.000 1 A 98.597 1 ATOM 1182 O O . ILE 151 151 ? A -8.600 2.207 5.809 1.000 1 A 98.597 1 ATOM 1183 C CB . ILE 151 151 ? A -10.765 0.097 6.076 1.000 1 A 98.597 1 ATOM 1184 C CG1 . ILE 151 151 ? A -12.131 -0.453 5.648 1.000 1 A 98.597 1 ATOM 1185 C CG2 . ILE 151 151 ? A -10.234 -0.651 7.303 1.000 1 A 98.597 1 ATOM 1186 C CD1 . ILE 151 151 ? A -12.063 -1.804 4.950 1.000 1 A 98.597 1 ATOM 1187 N N . VAL 152 152 ? A -9.308 2.567 7.958 1.000 1 A 98.580 1 ATOM 1188 C CA . VAL 152 152 ? A -8.063 3.217 8.355 1.000 1 A 98.580 1 ATOM 1189 C C . VAL 152 152 ? A -7.389 2.411 9.463 1.000 1 A 98.580 1 ATOM 1190 O O . VAL 152 152 ? A -7.990 2.159 10.510 1.000 1 A 98.580 1 ATOM 1191 C CB . VAL 152 152 ? A -8.305 4.669 8.824 1.000 1 A 98.580 1 ATOM 1192 C CG1 . VAL 152 152 ? A -6.989 5.335 9.223 1.000 1 A 98.580 1 ATOM 1193 C CG2 . VAL 152 152 ? A -9.005 5.474 7.730 1.000 1 A 98.580 1 ATOM 1194 N N . GLY 153 153 ? A -6.158 1.986 9.244 1.000 1 A 98.295 1 ATOM 1195 C CA . GLY 153 153 ? A -5.324 1.370 10.264 1.000 1 A 98.295 1 ATOM 1196 C C . GLY 153 153 ? A -4.316 2.329 10.869 1.000 1 A 98.295 1 ATOM 1197 O O . GLY 153 153 ? A -3.518 2.935 10.150 1.000 1 A 98.295 1 ATOM 1198 N N . THR 154 154 ? A -4.272 2.389 12.164 1.000 1 A 97.857 1 ATOM 1199 C CA . THR 154 154 ? A -3.440 3.380 12.837 1.000 1 A 97.857 1 ATOM 1200 C C . THR 154 154 ? A -2.335 2.701 13.641 1.000 1 A 97.857 1 ATOM 1201 O O . THR 154 154 ? A -2.309 1.474 13.758 1.000 1 A 97.857 1 ATOM 1202 C CB . THR 154 154 ? A -4.279 4.275 13.767 1.000 1 A 97.857 1 ATOM 1203 O OG1 . THR 154 154 ? A -4.807 3.481 14.837 1.000 1 A 97.857 1 ATOM 1204 C CG2 . THR 154 154 ? A -5.436 4.922 13.012 1.000 1 A 97.857 1 ATOM 1205 N N . ALA 155 155 ? A -1.309 3.465 14.112 1.000 1 A 95.615 1 ATOM 1206 C CA . ALA 155 155 ? A -0.145 3.018 14.874 1.000 1 A 95.615 1 ATOM 1207 C C . ALA 155 155 ? A -0.568 2.357 16.183 1.000 1 A 95.615 1 ATOM 1208 O O . ALA 155 155 ? A 0.135 1.486 16.701 1.000 1 A 95.615 1 ATOM 1209 C CB . ALA 155 155 ? A 0.791 4.191 15.151 1.000 1 A 95.615 1 ATOM 1210 N N . GLY 156 156 ? A -1.732 2.599 16.743 1.000 1 A 94.609 1 ATOM 1211 C CA . GLY 156 156 ? A -2.231 2.030 17.985 1.000 1 A 94.609 1 ATOM 1212 C C . GLY 156 156 ? A -3.064 0.779 17.776 1.000 1 A 94.609 1 ATOM 1213 O O . GLY 156 156 ? A -3.927 0.458 18.595 1.000 1 A 94.609 1 ATOM 1214 N N . ARG 157 157 ? A -2.948 0.156 16.549 1.000 1 A 95.352 1 ATOM 1215 C CA . ARG 157 157 ? A -3.625 -1.097 16.228 1.000 1 A 95.352 1 ATOM 1216 C C . ARG 157 157 ? A -5.132 -0.892 16.119 1.000 1 A 95.352 1 ATOM 1217 O O . ARG 157 157 ? A -5.904 -1.845 16.246 1.000 1 A 95.352 1 ATOM 1218 C CB . ARG 157 157 ? A -3.315 -2.161 17.283 1.000 1 A 95.352 1 ATOM 1219 C CG . ARG 157 157 ? A -1.869 -2.630 17.280 1.000 1 A 95.352 1 ATOM 1220 C CD . ARG 157 157 ? A -1.650 -3.789 18.241 1.000 1 A 95.352 1 ATOM 1221 N NE . ARG 157 157 ? A -1.915 -3.401 19.623 1.000 1 A 95.352 1 ATOM 1222 C CZ . ARG 157 157 ? A -2.920 -3.864 20.361 1.000 1 A 95.352 1 ATOM 1223 N NH1 . ARG 157 157 ? A -3.778 -4.746 19.861 1.000 1 A 95.352 1 ATOM 1224 N NH2 . ARG 157 157 ? A -3.069 -3.443 21.609 1.000 1 A 95.352 1 ATOM 1225 N N . ARG 158 158 ? A -5.471 0.377 16.000 1.000 1 A 97.444 1 ATOM 1226 C CA . ARG 158 158 ? A -6.890 0.662 15.807 1.000 1 A 97.444 1 ATOM 1227 C C . ARG 158 158 ? A -7.262 0.611 14.330 1.000 1 A 97.444 1 ATOM 1228 O O . ARG 158 158 ? A -6.484 1.035 13.473 1.000 1 A 97.444 1 ATOM 1229 C CB . ARG 158 158 ? A -7.248 2.030 16.391 1.000 1 A 97.444 1 ATOM 1230 C CG . ARG 158 158 ? A -7.078 2.121 17.899 1.000 1 A 97.444 1 ATOM 1231 C CD . ARG 158 158 ? A -7.452 3.499 18.427 1.000 1 A 97.444 1 ATOM 1232 N NE . ARG 158 158 ? A -7.243 3.598 19.869 1.000 1 A 97.444 1 ATOM 1233 C CZ . ARG 158 158 ? A -7.600 4.639 20.616 1.000 1 A 97.444 1 ATOM 1234 N NH1 . ARG 158 158 ? A -8.191 5.695 20.070 1.000 1 A 97.444 1 ATOM 1235 N NH2 . ARG 158 158 ? A -7.363 4.625 21.920 1.000 1 A 97.444 1 ATOM 1236 N N . VAL 159 159 ? A -8.439 0.042 14.108 1.000 1 A 98.136 1 ATOM 1237 C CA . VAL 159 159 ? A -9.030 0.046 12.774 1.000 1 A 98.136 1 ATOM 1238 C C . VAL 159 159 ? A -10.321 0.861 12.783 1.000 1 A 98.136 1 ATOM 1239 O O . VAL 159 159 ? A -11.278 0.513 13.479 1.000 1 A 98.136 1 ATOM 1240 C CB . VAL 159 159 ? A -9.309 -1.389 12.273 1.000 1 A 98.136 1 ATOM 1241 C CG1 . VAL 159 159 ? A -9.903 -1.364 10.866 1.000 1 A 98.136 1 ATOM 1242 C CG2 . VAL 159 159 ? A -8.029 -2.222 12.301 1.000 1 A 98.136 1 ATOM 1243 N N . LEU 160 160 ? A -10.310 1.926 12.020 1.000 1 A 98.250 1 ATOM 1244 C CA . LEU 160 160 ? A -11.472 2.802 11.929 1.000 1 A 98.250 1 ATOM 1245 C C . LEU 160 160 ? A -12.138 2.682 10.563 1.000 1 A 98.250 1 ATOM 1246 O O . LEU 160 160 ? A -11.462 2.717 9.532 1.000 1 A 98.250 1 ATOM 1247 C CB . LEU 160 160 ? A -11.068 4.256 12.187 1.000 1 A 98.250 1 ATOM 1248 C CG . LEU 160 160 ? A -10.354 4.538 13.509 1.000 1 A 98.250 1 ATOM 1249 C CD1 . LEU 160 160 ? A -9.416 5.731 13.362 1.000 1 A 98.250 1 ATOM 1250 C CD2 . LEU 160 160 ? A -11.366 4.781 14.623 1.000 1 A 98.250 1 ATOM 1251 N N . VAL 161 161 ? A -13.421 2.533 10.578 1.000 1 A 98.169 1 ATOM 1252 C CA . VAL 161 161 ? A -14.190 2.478 9.340 1.000 1 A 98.169 1 ATOM 1253 C C . VAL 161 161 ? A -15.029 3.745 9.196 1.000 1 A 98.169 1 ATOM 1254 O O . VAL 161 161 ? A -15.898 4.020 10.027 1.000 1 A 98.169 1 ATOM 1255 C CB . VAL 161 161 ? A -15.098 1.228 9.291 1.000 1 A 98.169 1 ATOM 1256 C CG1 . VAL 161 161 ? A -15.848 1.158 7.962 1.000 1 A 98.169 1 ATOM 1257 C CG2 . VAL 161 161 ? A -14.274 -0.039 9.511 1.000 1 A 98.169 1 ATOM 1258 N N . TRP 162 162 ? A -14.720 4.469 8.147 1.000 1 A 98.262 1 ATOM 1259 C CA . TRP 162 162 ? A -15.393 5.730 7.853 1.000 1 A 98.262 1 ATOM 1260 C C . TRP 162 162 ? A -16.374 5.567 6.697 1.000 1 A 98.262 1 ATOM 1261 O O . TRP 162 162 ? A -16.177 4.721 5.822 1.000 1 A 98.262 1 ATOM 1262 C CB . TRP 162 162 ? A -14.370 6.821 7.521 1.000 1 A 98.262 1 ATOM 1263 C CG . TRP 162 162 ? A -13.468 7.176 8.664 1.000 1 A 98.262 1 ATOM 1264 C CD1 . TRP 162 162 ? A -12.349 6.504 9.071 1.000 1 A 98.262 1 ATOM 1265 C CD2 . TRP 162 162 ? A -13.611 8.290 9.551 1.000 1 A 98.262 1 ATOM 1266 N NE1 . TRP 162 162 ? A -11.787 7.133 10.158 1.000 1 A 98.262 1 ATOM 1267 C CE2 . TRP 162 162 ? A -12.542 8.231 10.473 1.000 1 A 98.262 1 ATOM 1268 C CE3 . TRP 162 162 ? A -14.541 9.333 9.657 1.000 1 A 98.262 1 ATOM 1269 C CZ2 . TRP 162 162 ? A -12.377 9.177 11.487 1.000 1 A 98.262 1 ATOM 1270 C CZ3 . TRP 162 162 ? A -14.375 10.274 10.667 1.000 1 A 98.262 1 ATOM 1271 C CH2 . TRP 162 162 ? A -13.301 10.187 11.567 1.000 1 A 98.262 1 ATOM 1272 N N . ASP 163 163 ? A -17.401 6.348 6.809 1.000 1 A 97.495 1 ATOM 1273 C CA . ASP 163 163 ? A -18.296 6.520 5.669 1.000 1 A 97.495 1 ATOM 1274 C C . ASP 163 163 ? A -17.918 7.757 4.857 1.000 1 A 97.495 1 ATOM 1275 O O . ASP 163 163 ? A -18.101 8.887 5.316 1.000 1 A 97.495 1 ATOM 1276 C CB . ASP 163 163 ? A -19.749 6.621 6.137 1.000 1 A 97.495 1 ATOM 1277 C CG . ASP 163 163 ? A -20.740 6.673 4.988 1.000 1 A 97.495 1 ATOM 1278 O OD1 . ASP 163 163 ? A -20.318 6.862 3.826 1.000 1 A 97.495 1 ATOM 1279 O OD2 . ASP 163 163 ? A -21.954 6.526 5.246 1.000 1 A 97.495 1 ATOM 1280 N N . LEU 164 164 ? A -17.492 7.541 3.639 1.000 1 A 97.336 1 ATOM 1281 C CA . LEU 164 164 ? A -16.955 8.635 2.837 1.000 1 A 97.336 1 ATOM 1282 C C . LEU 164 164 ? A -18.064 9.591 2.410 1.000 1 A 97.336 1 ATOM 1283 O O . LEU 164 164 ? A -17.795 10.741 2.054 1.000 1 A 97.336 1 ATOM 1284 C CB . LEU 164 164 ? A -16.232 8.090 1.603 1.000 1 A 97.336 1 ATOM 1285 C CG . LEU 164 164 ? A -14.862 7.454 1.845 1.000 1 A 97.336 1 ATOM 1286 C CD1 . LEU 164 164 ? A -14.375 6.747 0.585 1.000 1 A 97.336 1 ATOM 1287 C CD2 . LEU 164 164 ? A -13.856 8.508 2.296 1.000 1 A 97.336 1 ATOM 1288 N N . ARG 165 165 ? A -19.285 9.247 2.472 1.000 1 A 95.630 1 ATOM 1289 C CA . ARG 165 165 ? A -20.408 10.113 2.129 1.000 1 A 95.630 1 ATOM 1290 C C . ARG 165 165 ? A -20.822 10.971 3.321 1.000 1 A 95.630 1 ATOM 1291 O O . ARG 165 165 ? A -21.463 12.010 3.151 1.000 1 A 95.630 1 ATOM 1292 C CB . ARG 165 165 ? A -21.598 9.284 1.642 1.000 1 A 95.630 1 ATOM 1293 C CG . ARG 165 165 ? A -21.337 8.534 0.346 1.000 1 A 95.630 1 ATOM 1294 C CD . ARG 165 165 ? A -22.538 7.699 -0.075 1.000 1 A 95.630 1 ATOM 1295 N NE . ARG 165 165 ? A -22.301 7.013 -1.342 1.000 1 A 95.630 1 ATOM 1296 C CZ . ARG 165 165 ? A -23.094 6.078 -1.858 1.000 1 A 95.630 1 ATOM 1297 N NH1 . ARG 165 165 ? A -24.196 5.698 -1.223 1.000 1 A 95.630 1 ATOM 1298 N NH2 . ARG 165 165 ? A -22.783 5.519 -3.019 1.000 1 A 95.630 1 ATOM 1299 N N . ASN 166 166 ? A -20.473 10.413 4.450 1.000 1 A 95.034 1 ATOM 1300 C CA . ASN 166 166 ? A -20.788 11.090 5.703 1.000 1 A 95.034 1 ATOM 1301 C C . ASN 166 166 ? A -19.651 10.960 6.712 1.000 1 A 95.034 1 ATOM 1302 O O . ASN 166 166 ? A -19.655 10.053 7.546 1.000 1 A 95.034 1 ATOM 1303 C CB . ASN 166 166 ? A -22.089 10.544 6.296 1.000 1 A 95.034 1 ATOM 1304 C CG . ASN 166 166 ? A -22.570 11.347 7.489 1.000 1 A 95.034 1 ATOM 1305 O OD1 . ASN 166 166 ? A -22.001 12.391 7.820 1.000 1 A 95.034 1 ATOM 1306 N ND2 . ASN 166 166 ? A -23.621 10.867 8.142 1.000 1 A 95.034 1 ATOM 1307 N N . MET 167 167 ? A -18.640 11.905 6.617 1.000 1 A 95.443 1 ATOM 1308 C CA . MET 167 167 ? A -17.404 11.817 7.390 1.000 1 A 95.443 1 ATOM 1309 C C . MET 167 167 ? A -17.557 12.510 8.739 1.000 1 A 95.443 1 ATOM 1310 O O . MET 167 167 ? A -16.563 12.803 9.407 1.000 1 A 95.443 1 ATOM 1311 C CB . MET 167 167 ? A -16.239 12.433 6.614 1.000 1 A 95.443 1 ATOM 1312 C CG . MET 167 167 ? A -15.801 11.613 5.411 1.000 1 A 95.443 1 ATOM 1313 S SD . MET 167 167 ? A -15.047 10.010 5.890 1.000 1 A 95.443 1 ATOM 1314 C CE . MET 167 167 ? A -13.438 10.583 6.501 1.000 1 A 95.443 1 ATOM 1315 N N . GLY 168 168 ? A -18.843 12.869 9.127 1.000 1 A 93.322 1 ATOM 1316 C CA . GLY 168 168 ? A -19.089 13.567 10.379 1.000 1 A 93.322 1 ATOM 1317 C C . GLY 168 168 ? A -18.729 12.744 11.601 1.000 1 A 93.322 1 ATOM 1318 O O . GLY 168 168 ? A -18.338 13.294 12.633 1.000 1 A 93.322 1 ATOM 1319 N N . TYR 169 169 ? A -18.845 11.443 11.523 1.000 1 A 94.333 1 ATOM 1320 C CA . TYR 169 169 ? A -18.456 10.557 12.614 1.000 1 A 94.333 1 ATOM 1321 C C . TYR 169 169 ? A -17.959 9.219 12.080 1.000 1 A 94.333 1 ATOM 1322 O O . TYR 169 169 ? A -18.284 8.834 10.954 1.000 1 A 94.333 1 ATOM 1323 C CB . TYR 169 169 ? A -19.632 10.332 13.570 1.000 1 A 94.333 1 ATOM 1324 C CG . TYR 169 169 ? A -20.852 9.745 12.904 1.000 1 A 94.333 1 ATOM 1325 C CD1 . TYR 169 169 ? A -21.825 10.567 12.339 1.000 1 A 94.333 1 ATOM 1326 C CD2 . TYR 169 169 ? A -21.035 8.368 12.838 1.000 1 A 94.333 1 ATOM 1327 C CE1 . TYR 169 169 ? A -22.952 10.030 11.726 1.000 1 A 94.333 1 ATOM 1328 C CE2 . TYR 169 169 ? A -22.158 7.820 12.227 1.000 1 A 94.333 1 ATOM 1329 C CZ . TYR 169 169 ? A -23.110 8.658 11.674 1.000 1 A 94.333 1 ATOM 1330 O OH . TYR 169 169 ? A -24.224 8.121 11.069 1.000 1 A 94.333 1 ATOM 1331 N N . VAL 170 170 ? A -17.136 8.559 12.856 1.000 1 A 96.152 1 ATOM 1332 C CA . VAL 170 170 ? A -16.592 7.246 12.525 1.000 1 A 96.152 1 ATOM 1333 C C . VAL 170 170 ? A -17.677 6.183 12.674 1.000 1 A 96.152 1 ATOM 1334 O O . VAL 170 170 ? A -18.345 6.110 13.709 1.000 1 A 96.152 1 ATOM 1335 C CB . VAL 170 170 ? A -15.376 6.896 13.413 1.000 1 A 96.152 1 ATOM 1336 C CG1 . VAL 170 170 ? A -14.806 5.531 13.032 1.000 1 A 96.152 1 ATOM 1337 C CG2 . VAL 170 170 ? A -14.304 7.977 13.299 1.000 1 A 96.152 1 ATOM 1338 N N . GLN 171 171 ? A -17.919 5.342 11.629 1.000 1 A 95.717 1 ATOM 1339 C CA . GLN 171 171 ? A -18.967 4.327 11.618 1.000 1 A 95.717 1 ATOM 1340 C C . GLN 171 171 ? A -18.623 3.170 12.552 1.000 1 A 95.717 1 ATOM 1341 O O . GLN 171 171 ? A -19.475 2.702 13.309 1.000 1 A 95.717 1 ATOM 1342 C CB . GLN 171 171 ? A -19.194 3.806 10.198 1.000 1 A 95.717 1 ATOM 1343 C CG . GLN 171 171 ? A -20.413 2.902 10.062 1.000 1 A 95.717 1 ATOM 1344 C CD . GLN 171 171 ? A -20.645 2.440 8.636 1.000 1 A 95.717 1 ATOM 1345 O OE1 . GLN 171 171 ? A -19.820 2.682 7.749 1.000 1 A 95.717 1 ATOM 1346 N NE2 . GLN 171 171 ? A -21.770 1.772 8.405 1.000 1 A 95.717 1 ATOM 1347 N N . GLN 172 172 ? A -17.331 2.705 12.504 1.000 1 A 96.227 1 ATOM 1348 C CA . GLN 172 172 ? A -16.875 1.589 13.327 1.000 1 A 96.227 1 ATOM 1349 C C . GLN 172 172 ? A -15.481 1.853 13.888 1.000 1 A 96.227 1 ATOM 1350 O O . GLN 172 172 ? A -14.608 2.361 13.182 1.000 1 A 96.227 1 ATOM 1351 C CB . GLN 172 172 ? A -16.879 0.290 12.520 1.000 1 A 96.227 1 ATOM 1352 C CG . GLN 172 172 ? A -18.249 -0.094 11.978 1.000 1 A 96.227 1 ATOM 1353 C CD . GLN 172 172 ? A -18.227 -1.389 11.188 1.000 1 A 96.227 1 ATOM 1354 O OE1 . GLN 172 172 ? A -17.279 -2.175 11.286 1.000 1 A 96.227 1 ATOM 1355 N NE2 . GLN 172 172 ? A -19.269 -1.619 10.397 1.000 1 A 96.227 1 ATOM 1356 N N . ARG 173 173 ? A -15.355 1.539 15.197 1.000 1 A 96.956 1 ATOM 1357 C CA . ARG 173 173 ? A -14.054 1.561 15.857 1.000 1 A 96.956 1 ATOM 1358 C C . ARG 173 173 ? A -13.695 0.185 16.407 1.000 1 A 96.956 1 ATOM 1359 O O . ARG 173 173 ? A -14.380 -0.334 17.291 1.000 1 A 96.956 1 ATOM 1360 C CB . ARG 173 173 ? A -14.041 2.596 16.984 1.000 1 A 96.956 1 ATOM 1361 C CG . ARG 173 173 ? A -14.224 4.028 16.508 1.000 1 A 96.956 1 ATOM 1362 C CD . ARG 173 173 ? A -14.264 5.008 17.672 1.000 1 A 96.956 1 ATOM 1363 N NE . ARG 173 173 ? A -14.410 6.386 17.211 1.000 1 A 96.956 1 ATOM 1364 C CZ . ARG 173 173 ? A -15.314 7.247 17.671 1.000 1 A 96.956 1 ATOM 1365 N NH1 . ARG 173 173 ? A -16.174 6.888 18.617 1.000 1 A 96.956 1 ATOM 1366 N NH2 . ARG 173 173 ? A -15.359 8.478 17.181 1.000 1 A 96.956 1 ATOM 1367 N N . ARG 174 174 ? A -12.586 -0.300 15.770 1.000 1 A 96.170 1 ATOM 1368 C CA . ARG 174 174 ? A -12.183 -1.650 16.149 1.000 1 A 96.170 1 ATOM 1369 C C . ARG 174 174 ? A -10.702 -1.698 16.511 1.000 1 A 96.170 1 ATOM 1370 O O . ARG 174 174 ? A -9.941 -0.797 16.154 1.000 1 A 96.170 1 ATOM 1371 C CB . ARG 174 174 ? A -12.479 -2.638 15.019 1.000 1 A 96.170 1 ATOM 1372 C CG . ARG 174 174 ? A -13.938 -2.667 14.593 1.000 1 A 96.170 1 ATOM 1373 C CD . ARG 174 174 ? A -14.172 -3.645 13.450 1.000 1 A 96.170 1 ATOM 1374 N NE . ARG 174 174 ? A -15.575 -3.678 13.048 1.000 1 A 96.170 1 ATOM 1375 C CZ . ARG 174 174 ? A -16.046 -4.334 11.991 1.000 1 A 96.170 1 ATOM 1376 N NH1 . ARG 174 174 ? A -15.230 -5.028 11.205 1.000 1 A 96.170 1 ATOM 1377 N NH2 . ARG 174 174 ? A -17.342 -4.297 11.717 1.000 1 A 96.170 1 ATOM 1378 N N . GLU 175 175 ? A -10.409 -2.693 17.228 1.000 1 A 95.288 1 ATOM 1379 C CA . GLU 175 175 ? A -9.000 -3.006 17.451 1.000 1 A 95.288 1 ATOM 1380 C C . GLU 175 175 ? A -8.565 -4.212 16.625 1.000 1 A 95.288 1 ATOM 1381 O O . GLU 175 175 ? A -9.334 -5.160 16.447 1.000 1 A 95.288 1 ATOM 1382 C CB . GLU 175 175 ? A -8.736 -3.263 18.937 1.000 1 A 95.288 1 ATOM 1383 C CG . GLU 175 175 ? A -7.259 -3.319 19.298 1.000 1 A 95.288 1 ATOM 1384 C CD . GLU 175 175 ? A -7.009 -3.393 20.796 1.000 1 A 95.288 1 ATOM 1385 O OE1 . GLU 175 175 ? A -5.832 -3.488 21.212 1.000 1 A 95.288 1 ATOM 1386 O OE2 . GLU 175 175 ? A -8.000 -3.357 21.561 1.000 1 A 95.288 1 ATOM 1387 N N . SER 176 176 ? A -7.335 -4.164 16.044 1.000 1 A 93.822 1 ATOM 1388 C CA . SER 176 176 ? A -6.808 -5.281 15.267 1.000 1 A 93.822 1 ATOM 1389 C C . SER 176 176 ? A -6.850 -6.579 16.067 1.000 1 A 93.822 1 ATOM 1390 O O . SER 176 176 ? A -6.619 -6.577 17.277 1.000 1 A 93.822 1 ATOM 1391 C CB . SER 176 176 ? A -5.374 -4.995 14.820 1.000 1 A 93.822 1 ATOM 1392 O OG . SER 176 176 ? A -4.805 -6.133 14.196 1.000 1 A 93.822 1 ATOM 1393 N N . SER 177 177 ? A -7.213 -7.705 15.406 1.000 1 A 94.137 1 ATOM 1394 C CA . SER 177 177 ? A -7.217 -9.019 16.042 1.000 1 A 94.137 1 ATOM 1395 C C . SER 177 177 ? A -5.798 -9.534 16.256 1.000 1 A 94.137 1 ATOM 1396 O O . SER 177 177 ? A -5.589 -10.517 16.969 1.000 1 A 94.137 1 ATOM 1397 C CB . SER 177 177 ? A -8.010 -10.020 15.200 1.000 1 A 94.137 1 ATOM 1398 O OG . SER 177 177 ? A -7.447 -10.145 13.906 1.000 1 A 94.137 1 ATOM 1399 N N . LEU 178 178 ? A -4.872 -8.808 15.710 1.000 1 A 95.647 1 ATOM 1400 C CA . LEU 178 178 ? A -3.475 -9.206 15.838 1.000 1 A 95.647 1 ATOM 1401 C C . LEU 178 178 ? A -2.806 -8.478 17.000 1.000 1 A 95.647 1 ATOM 1402 O O . LEU 178 178 ? A -3.157 -7.336 17.306 1.000 1 A 95.647 1 ATOM 1403 C CB . LEU 178 178 ? A -2.715 -8.924 14.539 1.000 1 A 95.647 1 ATOM 1404 C CG . LEU 178 178 ? A -3.283 -9.561 13.270 1.000 1 A 95.647 1 ATOM 1405 C CD1 . LEU 178 178 ? A -2.496 -9.099 12.048 1.000 1 A 95.647 1 ATOM 1406 C CD2 . LEU 178 178 ? A -3.266 -11.081 13.380 1.000 1 A 95.647 1 ATOM 1407 N N . LYS 179 179 ? A -1.826 -9.134 17.589 1.000 1 A 94.180 1 ATOM 1408 C CA . LYS 179 179 ? A -1.246 -8.683 18.851 1.000 1 A 94.180 1 ATOM 1409 C C . LYS 179 179 ? A -0.216 -7.581 18.620 1.000 1 A 94.180 1 ATOM 1410 O O . LYS 179 179 ? A -0.009 -6.726 19.484 1.000 1 A 94.180 1 ATOM 1411 C CB . LYS 179 179 ? A -0.604 -9.854 19.595 1.000 1 A 94.180 1 ATOM 1412 C CG . LYS 179 179 ? A -1.604 -10.859 20.149 1.000 1 A 94.180 1 ATOM 1413 C CD . LYS 179 179 ? A -0.907 -11.976 20.915 1.000 1 A 94.180 1 ATOM 1414 C CE . LYS 179 179 ? A -1.899 -13.023 21.404 1.000 1 A 94.180 1 ATOM 1415 N NZ . LYS 179 179 ? A -1.217 -14.141 22.121 1.000 1 A 94.180 1 ATOM 1416 N N . TYR 180 180 ? A 0.379 -7.528 17.397 1.000 1 A 94.326 1 ATOM 1417 C CA . TYR 180 180 ? A 1.472 -6.598 17.133 1.000 1 A 94.326 1 ATOM 1418 C C . TYR 180 180 ? A 1.062 -5.554 16.101 1.000 1 A 94.326 1 ATOM 1419 O O . TYR 180 180 ? A -0.077 -5.552 15.630 1.000 1 A 94.326 1 ATOM 1420 C CB . TYR 180 180 ? A 2.714 -7.351 16.650 1.000 1 A 94.326 1 ATOM 1421 C CG . TYR 180 180 ? A 3.373 -8.186 17.721 1.000 1 A 94.326 1 ATOM 1422 C CD1 . TYR 180 180 ? A 4.461 -7.699 18.441 1.000 1 A 94.326 1 ATOM 1423 C CD2 . TYR 180 180 ? A 2.910 -9.465 18.014 1.000 1 A 94.326 1 ATOM 1424 C CE1 . TYR 180 180 ? A 5.073 -8.465 19.428 1.000 1 A 94.326 1 ATOM 1425 C CE2 . TYR 180 180 ? A 3.514 -10.240 18.998 1.000 1 A 94.326 1 ATOM 1426 C CZ . TYR 180 180 ? A 4.593 -9.732 19.699 1.000 1 A 94.326 1 ATOM 1427 O OH . TYR 180 180 ? A 5.194 -10.496 20.674 1.000 1 A 94.326 1 ATOM 1428 N N . GLN 181 181 ? A 1.922 -4.635 15.815 1.000 1 A 95.077 1 ATOM 1429 C CA . GLN 181 181 ? A 1.685 -3.466 14.974 1.000 1 A 95.077 1 ATOM 1430 C C . GLN 181 181 ? A 1.107 -3.871 13.621 1.000 1 A 95.077 1 ATOM 1431 O O . GLN 181 181 ? A 1.647 -4.751 12.948 1.000 1 A 95.077 1 ATOM 1432 C CB . GLN 181 181 ? A 2.979 -2.675 14.777 1.000 1 A 95.077 1 ATOM 1433 C CG . GLN 181 181 ? A 2.803 -1.403 13.958 1.000 1 A 95.077 1 ATOM 1434 C CD . GLN 181 181 ? A 4.097 -0.628 13.792 1.000 1 A 95.077 1 ATOM 1435 O OE1 . GLN 181 181 ? A 5.048 -1.109 13.169 1.000 1 A 95.077 1 ATOM 1436 N NE2 . GLN 181 181 ? A 4.142 0.577 14.350 1.000 1 A 95.077 1 ATOM 1437 N N . THR 182 182 ? A -0.021 -3.234 13.184 1.000 1 A 95.699 1 ATOM 1438 C CA . THR 182 182 ? A -0.637 -3.419 11.875 1.000 1 A 95.699 1 ATOM 1439 C C . THR 182 182 ? A 0.265 -2.874 10.771 1.000 1 A 95.699 1 ATOM 1440 O O . THR 182 182 ? A 0.751 -1.745 10.861 1.000 1 A 95.699 1 ATOM 1441 C CB . THR 182 182 ? A -2.014 -2.733 11.803 1.000 1 A 95.699 1 ATOM 1442 O OG1 . THR 182 182 ? A -2.875 -3.296 12.800 1.000 1 A 95.699 1 ATOM 1443 C CG2 . THR 182 182 ? A -2.652 -2.923 10.431 1.000 1 A 95.699 1 ATOM 1444 N N . ARG 183 183 ? A 0.391 -3.663 9.747 1.000 1 A 95.467 1 ATOM 1445 C CA . ARG 183 183 ? A 1.286 -3.249 8.671 1.000 1 A 95.467 1 ATOM 1446 C C . ARG 183 183 ? A 0.502 -2.889 7.414 1.000 1 A 95.467 1 ATOM 1447 O O . ARG 183 183 ? A 0.793 -1.886 6.759 1.000 1 A 95.467 1 ATOM 1448 C CB . ARG 183 183 ? A 2.299 -4.352 8.359 1.000 1 A 95.467 1 ATOM 1449 C CG . ARG 183 183 ? A 3.436 -3.907 7.452 1.000 1 A 95.467 1 ATOM 1450 C CD . ARG 183 183 ? A 4.366 -2.927 8.154 1.000 1 A 95.467 1 ATOM 1451 N NE . ARG 183 183 ? A 5.517 -2.588 7.322 1.000 1 A 95.467 1 ATOM 1452 C CZ . ARG 183 183 ? A 6.495 -1.762 7.683 1.000 1 A 95.467 1 ATOM 1453 N NH1 . ARG 183 183 ? A 6.481 -1.172 8.872 1.000 1 A 95.467 1 ATOM 1454 N NH2 . ARG 183 183 ? A 7.496 -1.524 6.848 1.000 1 A 95.467 1 ATOM 1455 N N . CYS 184 184 ? A -0.439 -3.711 7.056 1.000 1 A 97.541 1 ATOM 1456 C CA . CYS 184 184 ? A -1.152 -3.521 5.798 1.000 1 A 97.541 1 ATOM 1457 C C . CYS 184 184 ? A -2.617 -3.919 5.936 1.000 1 A 97.541 1 ATOM 1458 O O . CYS 184 184 ? A -2.933 -4.926 6.572 1.000 1 A 97.541 1 ATOM 1459 C CB . CYS 184 184 ? A -0.496 -4.332 4.682 1.000 1 A 97.541 1 ATOM 1460 S SG . CYS 184 184 ? A -1.283 -4.122 3.070 1.000 1 A 97.541 1 ATOM 1461 N N . ILE 185 185 ? A -3.546 -3.117 5.372 1.000 1 A 98.420 1 ATOM 1462 C CA . ILE 185 185 ? A -4.968 -3.432 5.293 1.000 1 A 98.420 1 ATOM 1463 C C . ILE 185 185 ? A -5.435 -3.351 3.842 1.000 1 A 98.420 1 ATOM 1464 O O . ILE 185 185 ? A -5.131 -2.384 3.138 1.000 1 A 98.420 1 ATOM 1465 C CB . ILE 185 185 ? A -5.807 -2.484 6.180 1.000 1 A 98.420 1 ATOM 1466 C CG1 . ILE 185 185 ? A -5.488 -2.717 7.661 1.000 1 A 98.420 1 ATOM 1467 C CG2 . ILE 185 185 ? A -7.302 -2.670 5.905 1.000 1 A 98.420 1 ATOM 1468 C CD1 . ILE 185 185 ? A -6.188 -1.749 8.604 1.000 1 A 98.420 1 ATOM 1469 N N . ARG 186 186 ? A -6.161 -4.382 3.375 1.000 1 A 98.480 1 ATOM 1470 C CA . ARG 186 186 ? A -6.789 -4.381 2.058 1.000 1 A 98.480 1 ATOM 1471 C C . ARG 186 186 ? A -8.212 -4.924 2.130 1.000 1 A 98.480 1 ATOM 1472 O O . ARG 186 186 ? A -8.461 -5.945 2.775 1.000 1 A 98.480 1 ATOM 1473 C CB . ARG 186 186 ? A -5.963 -5.204 1.067 1.000 1 A 98.480 1 ATOM 1474 C CG . ARG 186 186 ? A -4.613 -4.591 0.732 1.000 1 A 98.480 1 ATOM 1475 C CD . ARG 186 186 ? A -4.760 -3.310 -0.078 1.000 1 A 98.480 1 ATOM 1476 N NE . ARG 186 186 ? A -3.462 -2.762 -0.461 1.000 1 A 98.480 1 ATOM 1477 C CZ . ARG 186 186 ? A -2.938 -1.642 0.029 1.000 1 A 98.480 1 ATOM 1478 N NH1 . ARG 186 186 ? A -3.594 -0.926 0.935 1.000 1 A 98.480 1 ATOM 1479 N NH2 . ARG 186 186 ? A -1.749 -1.235 -0.389 1.000 1 A 98.480 1 ATOM 1480 N N . ALA 187 187 ? A -9.101 -4.162 1.485 1.000 1 A 98.193 1 ATOM 1481 C CA . ALA 187 187 ? A -10.516 -4.525 1.511 1.000 1 A 98.193 1 ATOM 1482 C C . ALA 187 187 ? A -10.832 -5.577 0.451 1.000 1 A 98.193 1 ATOM 1483 O O . ALA 187 187 ? A -10.224 -5.588 -0.622 1.000 1 A 98.193 1 ATOM 1484 C CB . ALA 187 187 ? A -11.386 -3.287 1.304 1.000 1 A 98.193 1 ATOM 1485 N N . PHE 188 188 ? A -11.780 -6.454 0.785 1.000 1 A 97.697 1 ATOM 1486 C CA . PHE 188 188 ? A -12.299 -7.394 -0.202 1.000 1 A 97.697 1 ATOM 1487 C C . PHE 188 188 ? A -12.885 -6.655 -1.399 1.000 1 A 97.697 1 ATOM 1488 O O . PHE 188 188 ? A -13.589 -5.656 -1.234 1.000 1 A 97.697 1 ATOM 1489 C CB . PHE 188 188 ? A -13.360 -8.303 0.425 1.000 1 A 97.697 1 ATOM 1490 C CG . PHE 188 188 ? A -12.790 -9.399 1.284 1.000 1 A 97.697 1 ATOM 1491 C CD1 . PHE 188 188 ? A -12.543 -10.659 0.753 1.000 1 A 97.697 1 ATOM 1492 C CD2 . PHE 188 188 ? A -12.502 -9.170 2.623 1.000 1 A 97.697 1 ATOM 1493 C CE1 . PHE 188 188 ? A -12.015 -11.676 1.546 1.000 1 A 97.697 1 ATOM 1494 C CE2 . PHE 188 188 ? A -11.974 -10.181 3.421 1.000 1 A 97.697 1 ATOM 1495 C CZ . PHE 188 188 ? A -11.733 -11.434 2.881 1.000 1 A 97.697 1 ATOM 1496 N N . PRO 189 189 ? A -12.583 -7.159 -2.549 1.000 1 A 96.503 1 ATOM 1497 C CA . PRO 189 189 ? A -13.233 -6.567 -3.721 1.000 1 A 96.503 1 ATOM 1498 C C . PRO 189 189 ? A -14.755 -6.686 -3.674 1.000 1 A 96.503 1 ATOM 1499 O O . PRO 189 189 ? A -15.461 -5.838 -4.225 1.000 1 A 96.503 1 ATOM 1500 C CB . PRO 189 189 ? A -12.658 -7.372 -4.888 1.000 1 A 96.503 1 ATOM 1501 C CG . PRO 189 189 ? A -11.348 -7.889 -4.388 1.000 1 A 96.503 1 ATOM 1502 C CD . PRO 189 189 ? A -11.471 -8.151 -2.914 1.000 1 A 96.503 1 ATOM 1503 N N . ASN 190 190 ? A -15.294 -7.659 -2.994 1.000 1 A 96.025 1 ATOM 1504 C CA . ASN 190 190 ? A -16.736 -7.855 -2.884 1.000 1 A 96.025 1 ATOM 1505 C C . ASN 190 190 ? A -17.328 -7.028 -1.746 1.000 1 A 96.025 1 ATOM 1506 O O . ASN 190 190 ? A -18.498 -7.194 -1.396 1.000 1 A 96.025 1 ATOM 1507 C CB . ASN 190 190 ? A -17.063 -9.337 -2.689 1.000 1 A 96.025 1 ATOM 1508 C CG . ASN 190 190 ? A -16.468 -9.904 -1.416 1.000 1 A 96.025 1 ATOM 1509 O OD1 . ASN 190 190 ? A -15.894 -9.173 -0.605 1.000 1 A 96.025 1 ATOM 1510 N ND2 . ASN 190 190 ? A -16.602 -11.212 -1.230 1.000 1 A 96.025 1 ATOM 1511 N N . LYS 191 191 ? A -16.572 -6.322 -1.031 1.000 1 A 96.739 1 ATOM 1512 C CA . LYS 191 191 ? A -16.975 -5.312 -0.056 1.000 1 A 96.739 1 ATOM 1513 C C . LYS 191 191 ? A -17.478 -5.960 1.230 1.000 1 A 96.739 1 ATOM 1514 O O . LYS 191 191 ? A -18.255 -5.357 1.973 1.000 1 A 96.739 1 ATOM 1515 C CB . LYS 191 191 ? A -18.057 -4.403 -0.642 1.000 1 A 96.739 1 ATOM 1516 C CG . LYS 191 191 ? A -17.647 -3.704 -1.930 1.000 1 A 96.739 1 ATOM 1517 C CD . LYS 191 191 ? A -18.814 -2.949 -2.552 1.000 1 A 96.739 1 ATOM 1518 C CE . LYS 191 191 ? A -18.453 -2.389 -3.921 1.000 1 A 96.739 1 ATOM 1519 N NZ . LYS 191 191 ? A -19.608 -1.684 -4.554 1.000 1 A 96.739 1 ATOM 1520 N N . GLN 192 192 ? A -17.109 -7.202 1.479 1.000 1 A 96.114 1 ATOM 1521 C CA . GLN 192 192 ? A -17.614 -7.923 2.643 1.000 1 A 96.114 1 ATOM 1522 C C . GLN 192 192 ? A -16.734 -7.678 3.865 1.000 1 A 96.114 1 ATOM 1523 O O . GLN 192 192 ? A -17.212 -7.727 5.000 1.000 1 A 96.114 1 ATOM 1524 C CB . GLN 192 192 ? A -17.701 -9.422 2.351 1.000 1 A 96.114 1 ATOM 1525 C CG . GLN 192 192 ? A -18.837 -9.799 1.409 1.000 1 A 96.114 1 ATOM 1526 C CD . GLN 192 192 ? A -18.990 -11.300 1.247 1.000 1 A 96.114 1 ATOM 1527 O OE1 . GLN 192 192 ? A -18.716 -12.069 2.173 1.000 1 A 96.114 1 ATOM 1528 N NE2 . GLN 192 192 ? A -19.428 -11.727 0.067 1.000 1 A 96.114 1 ATOM 1529 N N . GLY 193 193 ? A -15.515 -7.439 3.622 1.000 1 A 97.051 1 ATOM 1530 C CA . GLY 193 193 ? A -14.582 -7.282 4.726 1.000 1 A 97.051 1 ATOM 1531 C C . GLY 193 193 ? A -13.202 -6.837 4.283 1.000 1 A 97.051 1 ATOM 1532 O O . GLY 193 193 ? A -13.061 -6.155 3.265 1.000 1 A 97.051 1 ATOM 1533 N N . TYR 194 194 ? A -12.242 -7.100 5.123 1.000 1 A 98.358 1 ATOM 1534 C CA . TYR 194 194 ? A -10.870 -6.699 4.832 1.000 1 A 98.358 1 ATOM 1535 C C . TYR 194 194 ? A -9.874 -7.657 5.474 1.000 1 A 98.358 1 ATOM 1536 O O . TYR 194 194 ? A -10.235 -8.434 6.362 1.000 1 A 98.358 1 ATOM 1537 C CB . TYR 194 194 ? A -10.612 -5.271 5.323 1.000 1 A 98.358 1 ATOM 1538 C CG . TYR 194 194 ? A -10.907 -5.071 6.789 1.000 1 A 98.358 1 ATOM 1539 C CD1 . TYR 194 194 ? A -12.176 -4.688 7.219 1.000 1 A 98.358 1 ATOM 1540 C CD2 . TYR 194 194 ? A -9.918 -5.262 7.748 1.000 1 A 98.358 1 ATOM 1541 C CE1 . TYR 194 194 ? A -12.451 -4.500 8.569 1.000 1 A 98.358 1 ATOM 1542 C CE2 . TYR 194 194 ? A -10.183 -5.077 9.101 1.000 1 A 98.358 1 ATOM 1543 C CZ . TYR 194 194 ? A -11.450 -4.697 9.501 1.000 1 A 98.358 1 ATOM 1544 O OH . TYR 194 194 ? A -11.718 -4.513 10.840 1.000 1 A 98.358 1 ATOM 1545 N N . VAL 195 195 ? A -8.691 -7.656 4.894 1.000 1 A 98.553 1 ATOM 1546 C CA . VAL 195 195 ? A -7.574 -8.431 5.426 1.000 1 A 98.553 1 ATOM 1547 C C . VAL 195 195 ? A -6.508 -7.488 5.979 1.000 1 A 98.553 1 ATOM 1548 O O . VAL 195 195 ? A -6.177 -6.479 5.351 1.000 1 A 98.553 1 ATOM 1549 C CB . VAL 195 195 ? A -6.962 -9.356 4.350 1.000 1 A 98.553 1 ATOM 1550 C CG1 . VAL 195 195 ? A -5.804 -10.166 4.930 1.000 1 A 98.553 1 ATOM 1551 C CG2 . VAL 195 195 ? A -8.031 -10.282 3.773 1.000 1 A 98.553 1 ATOM 1552 N N . LEU 196 196 ? A -6.077 -7.801 7.124 1.000 1 A 98.090 1 ATOM 1553 C CA . LEU 196 196 ? A -5.031 -6.970 7.710 1.000 1 A 98.090 1 ATOM 1554 C C . LEU 196 196 ? A -3.846 -7.821 8.154 1.000 1 A 98.090 1 ATOM 1555 O O . LEU 196 196 ? A -4.016 -8.983 8.529 1.000 1 A 98.090 1 ATOM 1556 C CB . LEU 196 196 ? A -5.579 -6.177 8.899 1.000 1 A 98.090 1 ATOM 1557 C CG . LEU 196 196 ? A -6.006 -6.994 10.120 1.000 1 A 98.090 1 ATOM 1558 C CD1 . LEU 196 196 ? A -5.160 -6.619 11.332 1.000 1 A 98.090 1 ATOM 1559 C CD2 . LEU 196 196 ? A -7.489 -6.786 10.411 1.000 1 A 98.090 1 ATOM 1560 N N . SER 197 197 ? A -2.637 -7.296 7.988 1.000 1 A 98.196 1 ATOM 1561 C CA . SER 197 197 ? A -1.398 -7.985 8.334 1.000 1 A 98.196 1 ATOM 1562 C C . SER 197 197 ? A -0.617 -7.218 9.396 1.000 1 A 98.196 1 ATOM 1563 O O . SER 197 197 ? A -0.905 -6.050 9.664 1.000 1 A 98.196 1 ATOM 1564 C CB . SER 197 197 ? A -0.528 -8.181 7.092 1.000 1 A 98.196 1 ATOM 1565 O OG . SER 197 197 ? A -0.030 -6.939 6.625 1.000 1 A 98.196 1 ATOM 1566 N N . SER 198 198 ? A 0.301 -7.984 10.060 1.000 1 A 96.461 1 ATOM 1567 C CA . SER 198 198 ? A 1.123 -7.394 11.112 1.000 1 A 96.461 1 ATOM 1568 C C . SER 198 198 ? A 2.594 -7.753 10.932 1.000 1 A 96.461 1 ATOM 1569 O O . SER 198 198 ? A 2.963 -8.407 9.954 1.000 1 A 96.461 1 ATOM 1570 C CB . SER 198 198 ? A 0.642 -7.853 12.489 1.000 1 A 96.461 1 ATOM 1571 O OG . SER 198 198 ? A 1.026 -9.195 12.734 1.000 1 A 96.461 1 ATOM 1572 N N . ILE 199 199 ? A 3.405 -7.261 11.887 1.000 1 A 95.575 1 ATOM 1573 C CA . ILE 199 199 ? A 4.840 -7.517 11.835 1.000 1 A 95.575 1 ATOM 1574 C C . ILE 199 199 ? A 5.141 -8.891 12.430 1.000 1 A 95.575 1 ATOM 1575 O O . ILE 199 199 ? A 6.301 -9.303 12.500 1.000 1 A 95.575 1 ATOM 1576 C CB . ILE 199 199 ? A 5.637 -6.423 12.580 1.000 1 A 95.575 1 ATOM 1577 C CG1 . ILE 199 199 ? A 5.165 -6.316 14.035 1.000 1 A 95.575 1 ATOM 1578 C CG2 . ILE 199 199 ? A 5.508 -5.077 11.862 1.000 1 A 95.575 1 ATOM 1579 C CD1 . ILE 199 199 ? A 6.094 -5.506 14.928 1.000 1 A 95.575 1 ATOM 1580 N N . GLU 200 200 ? A 4.200 -9.621 12.807 1.000 1 A 94.803 1 ATOM 1581 C CA . GLU 200 200 ? A 4.357 -10.912 13.471 1.000 1 A 94.803 1 ATOM 1582 C C . GLU 200 200 ? A 4.257 -12.062 12.472 1.000 1 A 94.803 1 ATOM 1583 O O . GLU 200 200 ? A 4.171 -13.227 12.866 1.000 1 A 94.803 1 ATOM 1584 C CB . GLU 200 200 ? A 3.308 -11.080 14.573 1.000 1 A 94.803 1 ATOM 1585 C CG . GLU 200 200 ? A 3.498 -12.332 15.417 1.000 1 A 94.803 1 ATOM 1586 C CD . GLU 200 200 ? A 2.372 -12.562 16.412 1.000 1 A 94.803 1 ATOM 1587 O OE1 . GLU 200 200 ? A 2.488 -13.476 17.260 1.000 1 A 94.803 1 ATOM 1588 O OE2 . GLU 200 200 ? A 1.364 -11.823 16.342 1.000 1 A 94.803 1 ATOM 1589 N N . GLY 201 201 ? A 4.173 -11.765 11.211 1.000 1 A 96.383 1 ATOM 1590 C CA . GLY 201 201 ? A 4.037 -12.793 10.191 1.000 1 A 96.383 1 ATOM 1591 C C . GLY 201 201 ? A 2.652 -13.411 10.148 1.000 1 A 96.383 1 ATOM 1592 O O . GLY 201 201 ? A 2.512 -14.619 9.948 1.000 1 A 96.383 1 ATOM 1593 N N . ARG 202 202 ? A 1.598 -12.607 10.531 1.000 1 A 97.744 1 ATOM 1594 C CA . ARG 202 202 ? A 0.213 -13.063 10.578 1.000 1 A 97.744 1 ATOM 1595 C C . ARG 202 202 ? A -0.689 -12.163 9.740 1.000 1 A 97.744 1 ATOM 1596 O O . ARG 202 202 ? A -0.378 -10.990 9.525 1.000 1 A 97.744 1 ATOM 1597 C CB . ARG 202 202 ? A -0.289 -13.109 12.023 1.000 1 A 97.744 1 ATOM 1598 C CG . ARG 202 202 ? A 0.373 -14.182 12.872 1.000 1 A 97.744 1 ATOM 1599 C CD . ARG 202 202 ? A -0.281 -14.301 14.242 1.000 1 A 97.744 1 ATOM 1600 N NE . ARG 202 202 ? A 0.301 -15.389 15.024 1.000 1 A 97.744 1 ATOM 1601 C CZ . ARG 202 202 ? A -0.178 -15.828 16.184 1.000 1 A 97.744 1 ATOM 1602 N NH1 . ARG 202 202 ? A -1.261 -15.278 16.722 1.000 1 A 97.744 1 ATOM 1603 N NH2 . ARG 202 202 ? A 0.429 -16.824 16.812 1.000 1 A 97.744 1 ATOM 1604 N N . VAL 203 203 ? A -1.749 -12.792 9.407 1.000 1 A 98.328 1 ATOM 1605 C CA . VAL 203 203 ? A -2.829 -12.076 8.736 1.000 1 A 98.328 1 ATOM 1606 C C . VAL 203 203 ? A -4.157 -12.380 9.424 1.000 1 A 98.328 1 ATOM 1607 O O . VAL 203 203 ? A -4.341 -13.465 9.981 1.000 1 A 98.328 1 ATOM 1608 C CB . VAL 203 203 ? A -2.908 -12.443 7.237 1.000 1 A 98.328 1 ATOM 1609 C CG1 . VAL 203 203 ? A -4.164 -11.849 6.601 1.000 1 A 98.328 1 ATOM 1610 C CG2 . VAL 203 203 ? A -1.656 -11.964 6.504 1.000 1 A 98.328 1 ATOM 1611 N N . ALA 204 204 ? A -5.015 -11.384 9.474 1.000 1 A 98.365 1 ATOM 1612 C CA . ALA 204 204 ? A -6.363 -11.550 10.012 1.000 1 A 98.365 1 ATOM 1613 C C . ALA 204 204 ? A -7.417 -11.158 8.980 1.000 1 A 98.365 1 ATOM 1614 O O . ALA 204 204 ? A -7.279 -10.139 8.299 1.000 1 A 98.365 1 ATOM 1615 C CB . ALA 204 204 ? A -6.534 -10.722 11.283 1.000 1 A 98.365 1 ATOM 1616 N N . VAL 205 205 ? A -8.379 -12.001 8.825 1.000 1 A 98.307 1 ATOM 1617 C CA . VAL 205 205 ? A -9.538 -11.716 7.986 1.000 1 A 98.307 1 ATOM 1618 C C . VAL 205 205 ? A -10.698 -11.233 8.853 1.000 1 A 98.307 1 ATOM 1619 O O . VAL 205 205 ? A -11.136 -11.938 9.765 1.000 1 A 98.307 1 ATOM 1620 C CB . VAL 205 205 ? A -9.965 -12.956 7.168 1.000 1 A 98.307 1 ATOM 1621 C CG1 . VAL 205 205 ? A -11.172 -12.633 6.289 1.000 1 A 98.307 1 ATOM 1622 C CG2 . VAL 205 205 ? A -8.801 -13.460 6.318 1.000 1 A 98.307 1 ATOM 1623 N N . GLU 206 206 ? A -11.216 -10.014 8.527 1.000 1 A 97.784 1 ATOM 1624 C CA . GLU 206 206 ? A -12.295 -9.389 9.287 1.000 1 A 97.784 1 ATOM 1625 C C . GLU 206 206 ? A -13.425 -8.933 8.369 1.000 1 A 97.784 1 ATOM 1626 O O . GLU 206 206 ? A -13.224 -8.768 7.164 1.000 1 A 97.784 1 ATOM 1627 C CB . GLU 206 206 ? A -11.764 -8.204 10.098 1.000 1 A 97.784 1 ATOM 1628 C CG . GLU 206 206 ? A -10.746 -8.592 11.160 1.000 1 A 97.784 1 ATOM 1629 C CD . GLU 206 206 ? A -10.438 -7.467 12.136 1.000 1 A 97.784 1 ATOM 1630 O OE1 . GLU 206 206 ? A -9.323 -7.445 12.704 1.000 1 A 97.784 1 ATOM 1631 O OE2 . GLU 206 206 ? A -11.320 -6.602 12.334 1.000 1 A 97.784 1 ATOM 1632 N N . TYR 207 207 ? A -14.586 -8.757 8.946 1.000 1 A 97.460 1 ATOM 1633 C CA . TYR 207 207 ? A -15.761 -8.428 8.148 1.000 1 A 97.460 1 ATOM 1634 C C . TYR 207 207 ? A -16.372 -7.106 8.597 1.000 1 A 97.460 1 ATOM 1635 O O . TYR 207 207 ? A -16.324 -6.762 9.781 1.000 1 A 97.460 1 ATOM 1636 C CB . TYR 207 207 ? A -16.806 -9.544 8.243 1.000 1 A 97.460 1 ATOM 1637 C CG . TYR 207 207 ? A -16.350 -10.854 7.646 1.000 1 A 97.460 1 ATOM 1638 C CD1 . TYR 207 207 ? A -16.500 -11.111 6.286 1.000 1 A 97.460 1 ATOM 1639 C CD2 . TYR 207 207 ? A -15.770 -11.836 8.442 1.000 1 A 97.460 1 ATOM 1640 C CE1 . TYR 207 207 ? A -16.083 -12.317 5.732 1.000 1 A 97.460 1 ATOM 1641 C CE2 . TYR 207 207 ? A -15.350 -13.046 7.899 1.000 1 A 97.460 1 ATOM 1642 C CZ . TYR 207 207 ? A -15.510 -13.277 6.545 1.000 1 A 97.460 1 ATOM 1643 O OH . TYR 207 207 ? A -15.096 -14.472 6.002 1.000 1 A 97.460 1 ATOM 1644 N N . LEU 208 208 ? A -16.975 -6.368 7.623 1.000 1 A 97.057 1 ATOM 1645 C CA . LEU 208 208 ? A -17.504 -5.030 7.866 1.000 1 A 97.057 1 ATOM 1646 C C . LEU 208 208 ? A -18.913 -5.100 8.447 1.000 1 A 97.057 1 ATOM 1647 O O . LEU 208 208 ? A -19.328 -4.206 9.189 1.000 1 A 97.057 1 ATOM 1648 C CB . LEU 208 208 ? A -17.513 -4.214 6.571 1.000 1 A 97.057 1 ATOM 1649 C CG . LEU 208 208 ? A -16.147 -3.801 6.020 1.000 1 A 97.057 1 ATOM 1650 C CD1 . LEU 208 208 ? A -16.290 -3.253 4.604 1.000 1 A 97.057 1 ATOM 1651 C CD2 . LEU 208 208 ? A -15.491 -2.771 6.934 1.000 1 A 97.057 1 ATOM 1652 N N . ASP 209 209 ? A -19.652 -6.146 8.242 1.000 1 A 96.321 1 ATOM 1653 C CA . ASP 209 209 ? A -20.981 -6.359 8.806 1.000 1 A 96.321 1 ATOM 1654 C C . ASP 209 209 ? A -20.911 -6.556 10.319 1.000 1 A 96.321 1 ATOM 1655 O O . ASP 209 209 ? A -20.277 -7.497 10.799 1.000 1 A 96.321 1 ATOM 1656 C CB . ASP 209 209 ? A -21.656 -7.566 8.150 1.000 1 A 96.321 1 ATOM 1657 C CG . ASP 209 209 ? A -23.105 -7.736 8.569 1.000 1 A 96.321 1 ATOM 1658 O OD1 . ASP 209 209 ? A -23.497 -7.215 9.636 1.000 1 A 96.321 1 ATOM 1659 O OD2 . ASP 209 209 ? A -23.862 -8.400 7.828 1.000 1 A 96.321 1 ATOM 1660 N N . PRO 210 210 ? A -21.688 -5.712 11.113 1.000 1 A 94.924 1 ATOM 1661 C CA . PRO 210 210 ? A -21.570 -5.753 12.572 1.000 1 A 94.924 1 ATOM 1662 C C . PRO 210 210 ? A -22.417 -6.856 13.202 1.000 1 A 94.924 1 ATOM 1663 O O . PRO 210 210 ? A -22.376 -7.052 14.420 1.000 1 A 94.924 1 ATOM 1664 C CB . PRO 210 210 ? A -22.064 -4.370 13.005 1.000 1 A 94.924 1 ATOM 1665 C CG . PRO 210 210 ? A -23.045 -3.968 11.951 1.000 1 A 94.924 1 ATOM 1666 C CD . PRO 210 210 ? A -22.578 -4.514 10.632 1.000 1 A 94.924 1 ATOM 1667 N N . SER 211 211 ? A -23.166 -7.620 12.385 1.000 1 A 96.883 1 ATOM 1668 C CA . SER 211 211 ? A -23.990 -8.697 12.926 1.000 1 A 96.883 1 ATOM 1669 C C . SER 211 211 ? A -23.131 -9.772 13.583 1.000 1 A 96.883 1 ATOM 1670 O O . SER 211 211 ? A -22.089 -10.156 13.048 1.000 1 A 96.883 1 ATOM 1671 C CB . SER 211 211 ? A -24.849 -9.320 11.825 1.000 1 A 96.883 1 ATOM 1672 O OG . SER 211 211 ? A -24.036 -9.945 10.846 1.000 1 A 96.883 1 ATOM 1673 N N . PRO 212 212 ? A -23.557 -10.194 14.773 1.000 1 A 95.845 1 ATOM 1674 C CA . PRO 212 212 ? A -22.795 -11.191 15.528 1.000 1 A 95.845 1 ATOM 1675 C C . PRO 212 212 ? A -22.533 -12.464 14.726 1.000 1 A 95.845 1 ATOM 1676 O O . PRO 212 212 ? A -21.471 -13.077 14.862 1.000 1 A 95.845 1 ATOM 1677 C CB . PRO 212 212 ? A -23.690 -11.480 16.735 1.000 1 A 95.845 1 ATOM 1678 C CG . PRO 212 212 ? A -24.550 -10.265 16.873 1.000 1 A 95.845 1 ATOM 1679 C CD . PRO 212 212 ? A -24.745 -9.662 15.511 1.000 1 A 95.845 1 ATOM 1680 N N . GLU 213 213 ? A -23.413 -12.846 13.826 1.000 1 A 96.448 1 ATOM 1681 C CA . GLU 213 213 ? A -23.275 -14.050 13.013 1.000 1 A 96.448 1 ATOM 1682 C C . GLU 213 213 ? A -22.079 -13.946 12.071 1.000 1 A 96.448 1 ATOM 1683 O O . GLU 213 213 ? A -21.316 -14.902 11.920 1.000 1 A 96.448 1 ATOM 1684 C CB . GLU 213 213 ? A -24.554 -14.307 12.212 1.000 1 A 96.448 1 ATOM 1685 C CG . GLU 213 213 ? A -25.768 -14.621 13.076 1.000 1 A 96.448 1 ATOM 1686 C CD . GLU 213 213 ? A -27.052 -14.769 12.275 1.000 1 A 96.448 1 ATOM 1687 O OE1 . GLU 213 213 ? A -28.126 -14.978 12.884 1.000 1 A 96.448 1 ATOM 1688 O OE2 . GLU 213 213 ? A -26.983 -14.676 11.029 1.000 1 A 96.448 1 ATOM 1689 N N . VAL 214 214 ? A -21.880 -12.805 11.531 1.000 1 A 96.294 1 ATOM 1690 C CA . VAL 214 214 ? A -20.805 -12.577 10.570 1.000 1 A 96.294 1 ATOM 1691 C C . VAL 214 214 ? A -19.492 -12.340 11.311 1.000 1 A 96.294 1 ATOM 1692 O O . VAL 214 214 ? A -18.435 -12.808 10.880 1.000 1 A 96.294 1 ATOM 1693 C CB . VAL 214 214 ? A -21.118 -11.381 9.643 1.000 1 A 96.294 1 ATOM 1694 C CG1 . VAL 214 214 ? A -19.932 -11.085 8.726 1.000 1 A 96.294 1 ATOM 1695 C CG2 . VAL 214 214 ? A -22.376 -11.657 8.822 1.000 1 A 96.294 1 ATOM 1696 N N . GLN 215 215 ? A -19.580 -11.730 12.414 1.000 1 A 95.635 1 ATOM 1697 C CA . GLN 215 215 ? A -18.387 -11.386 13.182 1.000 1 A 95.635 1 ATOM 1698 C C . GLN 215 215 ? A -17.745 -12.631 13.788 1.000 1 A 95.635 1 ATOM 1699 O O . GLN 215 215 ? A -16.534 -12.662 14.017 1.000 1 A 95.635 1 ATOM 1700 C CB . GLN 215 215 ? A -18.729 -10.382 14.284 1.000 1 A 95.635 1 ATOM 1701 C CG . GLN 215 215 ? A -19.100 -9.000 13.762 1.000 1 A 95.635 1 ATOM 1702 C CD . GLN 215 215 ? A -17.984 -8.354 12.964 1.000 1 A 95.635 1 ATOM 1703 O OE1 . GLN 215 215 ? A -16.805 -8.473 13.312 1.000 1 A 95.635 1 ATOM 1704 N NE2 . GLN 215 215 ? A -18.347 -7.664 11.888 1.000 1 A 95.635 1 ATOM 1705 N N . LYS 216 216 ? A -18.434 -13.691 14.019 1.000 1 A 95.408 1 ATOM 1706 C CA . LYS 216 216 ? A -17.911 -14.948 14.545 1.000 1 A 95.408 1 ATOM 1707 C C . LYS 216 216 ? A -17.051 -15.663 13.507 1.000 1 A 95.408 1 ATOM 1708 O O . LYS 216 216 ? A -16.241 -16.526 13.852 1.000 1 A 95.408 1 ATOM 1709 C CB . LYS 216 216 ? A -19.054 -15.858 14.996 1.000 1 A 95.408 1 ATOM 1710 C CG . LYS 216 216 ? A -19.728 -15.414 16.285 1.000 1 A 95.408 1 ATOM 1711 C CD . LYS 216 216 ? A -20.863 -16.352 16.675 1.000 1 A 95.408 1 ATOM 1712 C CE . LYS 216 216 ? A -21.584 -15.869 17.926 1.000 1 A 95.408 1 ATOM 1713 N NZ . LYS 216 216 ? A -22.745 -16.744 18.269 1.000 1 A 95.408 1 ATOM 1714 N N . LYS 217 217 ? A -17.151 -15.163 12.259 1.000 1 A 95.890 1 ATOM 1715 C CA . LYS 217 217 ? A -16.435 -15.811 11.164 1.000 1 A 95.890 1 ATOM 1716 C C . LYS 217 217 ? A -15.024 -15.248 11.020 1.000 1 A 95.890 1 ATOM 1717 O O . LYS 217 217 ? A -14.215 -15.773 10.253 1.000 1 A 95.890 1 ATOM 1718 C CB . LYS 217 217 ? A -17.200 -15.648 9.850 1.000 1 A 95.890 1 ATOM 1719 C CG . LYS 217 217 ? A -18.523 -16.398 9.807 1.000 1 A 95.890 1 ATOM 1720 C CD . LYS 217 217 ? A -19.225 -16.218 8.467 1.000 1 A 95.890 1 ATOM 1721 C CE . LYS 217 217 ? A -20.565 -16.941 8.435 1.000 1 A 95.890 1 ATOM 1722 N NZ . LYS 217 217 ? A -21.282 -16.721 7.143 1.000 1 A 95.890 1 ATOM 1723 N N . LYS 218 218 ? A -14.678 -14.190 11.712 1.000 1 A 96.341 1 ATOM 1724 C CA . LYS 218 218 ? A -13.335 -13.628 11.603 1.000 1 A 96.341 1 ATOM 1725 C C . LYS 218 218 ? A -12.285 -14.608 12.118 1.000 1 A 96.341 1 ATOM 1726 O O . LYS 218 218 ? A -12.568 -15.422 13.000 1.000 1 A 96.341 1 ATOM 1727 C CB . LYS 218 218 ? A -13.240 -12.308 12.369 1.000 1 A 96.341 1 ATOM 1728 C CG . LYS 218 218 ? A -13.388 -12.456 13.876 1.000 1 A 96.341 1 ATOM 1729 C CD . LYS 218 218 ? A -13.295 -11.109 14.582 1.000 1 A 96.341 1 ATOM 1730 C CE . LYS 218 218 ? A -13.425 -11.257 16.092 1.000 1 A 96.341 1 ATOM 1731 N NZ . LYS 218 218 ? A -13.374 -9.935 16.785 1.000 1 A 96.341 1 ATOM 1732 N N . TYR 219 219 ? A -11.133 -14.632 11.520 1.000 1 A 97.872 1 ATOM 1733 C CA . TYR 219 219 ? A -10.064 -15.538 11.924 1.000 1 A 97.872 1 ATOM 1734 C C . TYR 219 219 ? A -8.698 -14.965 11.565 1.000 1 A 97.872 1 ATOM 1735 O O . TYR 219 219 ? A -8.605 -13.990 10.815 1.000 1 A 97.872 1 ATOM 1736 C CB . TYR 219 219 ? A -10.244 -16.910 11.267 1.000 1 A 97.872 1 ATOM 1737 C CG . TYR 219 219 ? A -10.106 -16.886 9.764 1.000 1 A 97.872 1 ATOM 1738 C CD1 . TYR 219 219 ? A -11.159 -16.464 8.956 1.000 1 A 97.872 1 ATOM 1739 C CD2 . TYR 219 219 ? A -8.925 -17.287 9.150 1.000 1 A 97.872 1 ATOM 1740 C CE1 . TYR 219 219 ? A -11.038 -16.442 7.570 1.000 1 A 97.872 1 ATOM 1741 C CE2 . TYR 219 219 ? A -8.792 -17.269 7.765 1.000 1 A 97.872 1 ATOM 1742 C CZ . TYR 219 219 ? A -9.852 -16.845 6.985 1.000 1 A 97.872 1 ATOM 1743 O OH . TYR 219 219 ? A -9.727 -16.825 5.614 1.000 1 A 97.872 1 ATOM 1744 N N . ALA 220 220 ? A -7.653 -15.488 12.147 1.000 1 A 97.866 1 ATOM 1745 C CA . ALA 220 220 ? A -6.269 -15.081 11.920 1.000 1 A 97.866 1 ATOM 1746 C C . ALA 220 220 ? A -5.356 -16.296 11.777 1.000 1 A 97.866 1 ATOM 1747 O O . ALA 220 220 ? A -5.661 -17.373 12.294 1.000 1 A 97.866 1 ATOM 1748 C CB . ALA 220 220 ? A -5.784 -14.186 13.058 1.000 1 A 97.866 1 ATOM 1749 N N . PHE 221 221 ? A -4.315 -16.229 11.013 1.000 1 A 97.717 1 ATOM 1750 C CA . PHE 221 221 ? A -3.430 -17.373 10.826 1.000 1 A 97.717 1 ATOM 1751 C C . PHE 221 221 ? A -2.003 -16.914 10.549 1.000 1 A 97.717 1 ATOM 1752 O O . PHE 221 221 ? A -1.780 -15.768 10.152 1.000 1 A 97.717 1 ATOM 1753 C CB . PHE 221 221 ? A -3.928 -18.258 9.679 1.000 1 A 97.717 1 ATOM 1754 C CG . PHE 221 221 ? A -3.964 -17.561 8.345 1.000 1 A 97.717 1 ATOM 1755 C CD1 . PHE 221 221 ? A -5.029 -16.736 8.004 1.000 1 A 97.717 1 ATOM 1756 C CD2 . PHE 221 221 ? A -2.931 -17.731 7.433 1.000 1 A 97.717 1 ATOM 1757 C CE1 . PHE 221 221 ? A -5.064 -16.090 6.771 1.000 1 A 97.717 1 ATOM 1758 C CE2 . PHE 221 221 ? A -2.959 -17.088 6.198 1.000 1 A 97.717 1 ATOM 1759 C CZ . PHE 221 221 ? A -4.027 -16.269 5.869 1.000 1 A 97.717 1 ATOM 1760 N N . LYS 222 222 ? A -1.052 -17.774 10.770 1.000 1 A 96.894 1 ATOM 1761 C CA . LYS 222 222 ? A 0.367 -17.533 10.521 1.000 1 A 96.894 1 ATOM 1762 C C . LYS 222 222 ? A 0.721 -17.796 9.060 1.000 1 A 96.894 1 ATOM 1763 O O . LYS 222 222 ? A 0.330 -18.821 8.496 1.000 1 A 96.894 1 ATOM 1764 C CB . LYS 222 222 ? A 1.228 -18.406 11.434 1.000 1 A 96.894 1 ATOM 1765 C CG . LYS 222 222 ? A 0.965 -18.197 12.918 1.000 1 A 96.894 1 ATOM 1766 C CD . LYS 222 222 ? A 1.763 -19.176 13.771 1.000 1 A 96.894 1 ATOM 1767 C CE . LYS 222 222 ? A 1.437 -19.024 15.250 1.000 1 A 96.894 1 ATOM 1768 N NZ . LYS 222 222 ? A 2.168 -20.025 16.084 1.000 1 A 96.894 1 ATOM 1769 N N . CYS 223 223 ? A 1.496 -16.934 8.409 1.000 1 A 96.468 1 ATOM 1770 C CA . CYS 223 223 ? A 1.709 -17.143 6.982 1.000 1 A 96.468 1 ATOM 1771 C C . CYS 223 223 ? A 3.157 -16.858 6.599 1.000 1 A 96.468 1 ATOM 1772 O O . CYS 223 223 ? A 3.623 -17.299 5.547 1.000 1 A 96.468 1 ATOM 1773 C CB . CYS 223 223 ? A 0.771 -16.256 6.164 1.000 1 A 96.468 1 ATOM 1774 S SG . CYS 223 223 ? A 0.899 -14.499 6.564 1.000 1 A 96.468 1 ATOM 1775 N N . HIS 224 224 ? A 3.968 -16.199 7.198 1.000 1 A 97.345 1 ATOM 1776 C CA . HIS 224 224 ? A 5.348 -15.878 6.853 1.000 1 A 97.345 1 ATOM 1777 C C . HIS 224 224 ? A 6.285 -16.141 8.027 1.000 1 A 97.345 1 ATOM 1778 O O . HIS 224 224 ? A 6.975 -15.230 8.492 1.000 1 A 97.345 1 ATOM 1779 C CB . HIS 224 224 ? A 5.463 -14.420 6.405 1.000 1 A 97.345 1 ATOM 1780 C CG . HIS 224 224 ? A 4.874 -14.159 5.056 1.000 1 A 97.345 1 ATOM 1781 N ND1 . HIS 224 224 ? A 5.533 -14.465 3.884 1.000 1 A 97.345 1 ATOM 1782 C CD2 . HIS 224 224 ? A 3.685 -13.623 4.693 1.000 1 A 97.345 1 ATOM 1783 C CE1 . HIS 224 224 ? A 4.772 -14.126 2.857 1.000 1 A 97.345 1 ATOM 1784 N NE2 . HIS 224 224 ? A 3.645 -13.613 3.321 1.000 1 A 97.345 1 ATOM 1785 N N . ARG 225 225 ? A 6.270 -17.467 8.430 1.000 1 A 94.999 1 ATOM 1786 C CA . ARG 225 225 ? A 7.134 -18.018 9.470 1.000 1 A 94.999 1 ATOM 1787 C C . ARG 225 225 ? A 7.929 -19.209 8.947 1.000 1 A 94.999 1 ATOM 1788 O O . ARG 225 225 ? A 7.379 -20.081 8.271 1.000 1 A 94.999 1 ATOM 1789 C CB . ARG 225 225 ? A 6.309 -18.433 10.690 1.000 1 A 94.999 1 ATOM 1790 C CG . ARG 225 225 ? A 5.596 -17.278 11.374 1.000 1 A 94.999 1 ATOM 1791 C CD . ARG 225 225 ? A 4.898 -17.722 12.652 1.000 1 A 94.999 1 ATOM 1792 N NE . ARG 225 225 ? A 4.161 -16.625 13.273 1.000 1 A 94.999 1 ATOM 1793 C CZ . ARG 225 225 ? A 3.497 -16.713 14.423 1.000 1 A 94.999 1 ATOM 1794 N NH1 . ARG 225 225 ? A 3.465 -17.854 15.102 1.000 1 A 94.999 1 ATOM 1795 N NH2 . ARG 225 225 ? A 2.860 -15.653 14.897 1.000 1 A 94.999 1 ATOM 1796 N N . LEU 226 226 ? A 9.219 -19.133 9.059 1.000 1 A 92.683 1 ATOM 1797 C CA . LEU 226 226 ? A 10.097 -20.201 8.595 1.000 1 A 92.683 1 ATOM 1798 C C . LEU 226 226 ? A 10.748 -20.918 9.773 1.000 1 A 92.683 1 ATOM 1799 O O . LEU 226 226 ? A 11.337 -20.278 10.647 1.000 1 A 92.683 1 ATOM 1800 C CB . LEU 226 226 ? A 11.176 -19.642 7.664 1.000 1 A 92.683 1 ATOM 1801 C CG . LEU 226 226 ? A 12.114 -20.665 7.021 1.000 1 A 92.683 1 ATOM 1802 C CD1 . LEU 226 226 ? A 11.341 -21.562 6.059 1.000 1 A 92.683 1 ATOM 1803 C CD2 . LEU 226 226 ? A 13.260 -19.963 6.301 1.000 1 A 92.683 1 ATOM 1804 N N . LYS 227 227 ? A 10.587 -22.243 9.764 1.000 1 A 91.147 1 ATOM 1805 C CA . LYS 227 227 ? A 11.205 -23.062 10.802 1.000 1 A 91.147 1 ATOM 1806 C C . LYS 227 227 ? A 12.524 -23.659 10.318 1.000 1 A 91.147 1 ATOM 1807 O O . LYS 227 227 ? A 12.550 -24.408 9.339 1.000 1 A 91.147 1 ATOM 1808 C CB . LYS 227 227 ? A 10.255 -24.177 11.242 1.000 1 A 91.147 1 ATOM 1809 C CG . LYS 227 227 ? A 9.032 -23.685 12.001 1.000 1 A 91.147 1 ATOM 1810 C CD . LYS 227 227 ? A 8.165 -24.843 12.476 1.000 1 A 91.147 1 ATOM 1811 C CE . LYS 227 227 ? A 6.911 -24.350 13.186 1.000 1 A 91.147 1 ATOM 1812 N NZ . LYS 227 227 ? A 6.063 -25.483 13.664 1.000 1 A 91.147 1 ATOM 1813 N N . GLU 228 228 ? A 13.611 -23.065 10.793 1.000 1 A 89.176 1 ATOM 1814 C CA . GLU 228 228 ? A 14.944 -23.586 10.504 1.000 1 A 89.176 1 ATOM 1815 C C . GLU 228 228 ? A 15.685 -23.946 11.788 1.000 1 A 89.176 1 ATOM 1816 O O . GLU 228 228 ? A 15.790 -23.126 12.702 1.000 1 A 89.176 1 ATOM 1817 C CB . GLU 228 228 ? A 15.755 -22.570 9.696 1.000 1 A 89.176 1 ATOM 1818 C CG . GLU 228 228 ? A 17.032 -23.139 9.096 1.000 1 A 89.176 1 ATOM 1819 C CD . GLU 228 228 ? A 17.737 -22.174 8.157 1.000 1 A 89.176 1 ATOM 1820 O OE1 . GLU 228 228 ? A 18.685 -22.593 7.455 1.000 1 A 89.176 1 ATOM 1821 O OE2 . GLU 228 228 ? A 17.338 -20.988 8.123 1.000 1 A 89.176 1 ATOM 1822 N N . ASN 229 229 ? A 16.193 -25.200 11.808 1.000 1 A 88.818 1 ATOM 1823 C CA . ASN 229 229 ? A 16.972 -25.673 12.947 1.000 1 A 88.818 1 ATOM 1824 C C . ASN 229 229 ? A 16.208 -25.506 14.258 1.000 1 A 88.818 1 ATOM 1825 O O . ASN 229 229 ? A 16.769 -25.044 15.253 1.000 1 A 88.818 1 ATOM 1826 C CB . ASN 229 229 ? A 18.316 -24.945 13.019 1.000 1 A 88.818 1 ATOM 1827 C CG . ASN 229 229 ? A 19.169 -25.170 11.786 1.000 1 A 88.818 1 ATOM 1828 O OD1 . ASN 229 229 ? A 19.179 -26.263 11.215 1.000 1 A 88.818 1 ATOM 1829 N ND2 . ASN 229 229 ? A 19.889 -24.136 11.367 1.000 1 A 88.818 1 ATOM 1830 N N . ASN 230 230 ? A 14.916 -25.715 14.274 1.000 1 A 88.118 1 ATOM 1831 C CA . ASN 230 230 ? A 14.094 -25.663 15.479 1.000 1 A 88.118 1 ATOM 1832 C C . ASN 230 230 ? A 13.924 -24.231 15.980 1.000 1 A 88.118 1 ATOM 1833 O O . ASN 230 230 ? A 13.680 -24.010 17.167 1.000 1 A 88.118 1 ATOM 1834 C CB . ASN 230 230 ? A 14.695 -26.542 16.578 1.000 1 A 88.118 1 ATOM 1835 C CG . ASN 230 230 ? A 14.595 -28.021 16.262 1.000 1 A 88.118 1 ATOM 1836 O OD1 . ASN 230 230 ? A 13.613 -28.477 15.670 1.000 1 A 88.118 1 ATOM 1837 N ND2 . ASN 230 230 ? A 15.610 -28.782 16.655 1.000 1 A 88.118 1 ATOM 1838 N N . ILE 231 231 ? A 14.371 -23.324 15.207 1.000 1 A 92.579 1 ATOM 1839 C CA . ILE 231 231 ? A 14.135 -21.908 15.463 1.000 1 A 92.579 1 ATOM 1840 C C . ILE 231 231 ? A 13.116 -21.365 14.464 1.000 1 A 92.579 1 ATOM 1841 O O . ILE 231 231 ? A 13.295 -21.499 13.251 1.000 1 A 92.579 1 ATOM 1842 C CB . ILE 231 231 ? A 15.446 -21.093 15.387 1.000 1 A 92.579 1 ATOM 1843 C CG1 . ILE 231 231 ? A 16.458 -21.613 16.415 1.000 1 A 92.579 1 ATOM 1844 C CG2 . ILE 231 231 ? A 15.169 -19.602 15.598 1.000 1 A 92.579 1 ATOM 1845 C CD1 . ILE 231 231 ? A 17.852 -21.018 16.267 1.000 1 A 92.579 1 ATOM 1846 N N . GLU 232 232 ? A 12.044 -20.871 15.037 1.000 1 A 93.212 1 ATOM 1847 C CA . GLU 232 232 ? A 11.013 -20.272 14.194 1.000 1 A 93.212 1 ATOM 1848 C C . GLU 232 232 ? A 11.315 -18.803 13.914 1.000 1 A 93.212 1 ATOM 1849 O O . GLU 232 232 ? A 11.330 -17.980 14.832 1.000 1 A 93.212 1 ATOM 1850 C CB . GLU 232 232 ? A 9.636 -20.410 14.848 1.000 1 A 93.212 1 ATOM 1851 C CG . GLU 232 232 ? A 8.479 -20.050 13.927 1.000 1 A 93.212 1 ATOM 1852 C CD . GLU 232 232 ? A 7.116 -20.327 14.539 1.000 1 A 93.212 1 ATOM 1853 O OE1 . GLU 232 232 ? A 6.103 -20.303 13.803 1.000 1 A 93.212 1 ATOM 1854 O OE2 . GLU 232 232 ? A 7.059 -20.570 15.766 1.000 1 A 93.212 1 ATOM 1855 N N . GLN 233 233 ? A 11.595 -18.525 12.723 1.000 1 A 93.444 1 ATOM 1856 C CA . GLN 233 233 ? A 11.825 -17.145 12.310 1.000 1 A 93.444 1 ATOM 1857 C C . GLN 233 233 ? A 10.525 -16.479 11.869 1.000 1 A 93.444 1 ATOM 1858 O O . GLN 233 233 ? A 9.816 -16.999 11.005 1.000 1 A 93.444 1 ATOM 1859 C CB . GLN 233 233 ? A 12.854 -17.087 11.180 1.000 1 A 93.444 1 ATOM 1860 C CG . GLN 233 233 ? A 14.214 -17.657 11.557 1.000 1 A 93.444 1 ATOM 1861 C CD . GLN 233 233 ? A 14.995 -16.747 12.486 1.000 1 A 93.444 1 ATOM 1862 O OE1 . GLN 233 233 ? A 14.969 -15.521 12.342 1.000 1 A 93.444 1 ATOM 1863 N NE2 . GLN 233 233 ? A 15.698 -17.341 13.445 1.000 1 A 93.444 1 ATOM 1864 N N . ILE 234 234 ? A 10.281 -15.309 12.416 1.000 1 A 95.318 1 ATOM 1865 C CA . ILE 234 234 ? A 9.035 -14.599 12.148 1.000 1 A 95.318 1 ATOM 1866 C C . ILE 234 234 ? A 9.319 -13.355 11.310 1.000 1 A 95.318 1 ATOM 1867 O O . ILE 234 234 ? A 10.060 -12.467 11.737 1.000 1 A 95.318 1 ATOM 1868 C CB . ILE 234 234 ? A 8.314 -14.210 13.458 1.000 1 A 95.318 1 ATOM 1869 C CG1 . ILE 234 234 ? A 8.071 -15.452 14.324 1.000 1 A 95.318 1 ATOM 1870 C CG2 . ILE 234 234 ? A 6.998 -13.487 13.156 1.000 1 A 95.318 1 ATOM 1871 C CD1 . ILE 234 234 ? A 7.566 -15.140 15.726 1.000 1 A 95.318 1 ATOM 1872 N N . TYR 235 235 ? A 8.644 -13.352 10.179 1.000 1 A 96.563 1 ATOM 1873 C CA . TYR 235 235 ? A 8.860 -12.239 9.261 1.000 1 A 96.563 1 ATOM 1874 C C . TYR 235 235 ? A 7.601 -11.391 9.126 1.000 1 A 96.563 1 ATOM 1875 O O . TYR 235 235 ? A 6.490 -11.922 9.070 1.000 1 A 96.563 1 ATOM 1876 C CB . TYR 235 235 ? A 9.293 -12.753 7.885 1.000 1 A 96.563 1 ATOM 1877 C CG . TYR 235 235 ? A 10.620 -13.473 7.895 1.000 1 A 96.563 1 ATOM 1878 C CD1 . TYR 235 235 ? A 11.808 -12.786 7.655 1.000 1 A 96.563 1 ATOM 1879 C CD2 . TYR 235 235 ? A 10.688 -14.839 8.143 1.000 1 A 96.563 1 ATOM 1880 C CE1 . TYR 235 235 ? A 13.033 -13.445 7.662 1.000 1 A 96.563 1 ATOM 1881 C CE2 . TYR 235 235 ? A 11.908 -15.509 8.152 1.000 1 A 96.563 1 ATOM 1882 C CZ . TYR 235 235 ? A 13.073 -14.804 7.912 1.000 1 A 96.563 1 ATOM 1883 O OH . TYR 235 235 ? A 14.283 -15.462 7.919 1.000 1 A 96.563 1 ATOM 1884 N N . PRO 236 236 ? A 7.752 -10.054 9.057 1.000 1 A 97.212 1 ATOM 1885 C CA . PRO 236 236 ? A 6.598 -9.185 8.812 1.000 1 A 97.212 1 ATOM 1886 C C . PRO 236 236 ? A 5.926 -9.461 7.469 1.000 1 A 97.212 1 ATOM 1887 O O . PRO 236 236 ? A 6.606 -9.763 6.485 1.000 1 A 97.212 1 ATOM 1888 C CB . PRO 236 236 ? A 7.203 -7.779 8.842 1.000 1 A 97.212 1 ATOM 1889 C CG . PRO 236 236 ? A 8.483 -7.930 9.597 1.000 1 A 97.212 1 ATOM 1890 C CD . PRO 236 236 ? A 9.030 -9.305 9.339 1.000 1 A 97.212 1 ATOM 1891 N N . VAL 237 237 ? A 4.595 -9.351 7.505 1.000 1 A 98.119 1 ATOM 1892 C CA . VAL 237 237 ? A 3.826 -9.380 6.266 1.000 1 A 98.119 1 ATOM 1893 C C . VAL 237 237 ? A 3.591 -7.955 5.769 1.000 1 A 98.119 1 ATOM 1894 O O . VAL 237 237 ? A 2.761 -7.228 6.319 1.000 1 A 98.119 1 ATOM 1895 C CB . VAL 237 237 ? A 2.475 -10.108 6.453 1.000 1 A 98.119 1 ATOM 1896 C CG1 . VAL 237 237 ? A 1.749 -10.250 5.117 1.000 1 A 98.119 1 ATOM 1897 C CG2 . VAL 237 237 ? A 2.693 -11.477 7.096 1.000 1 A 98.119 1 ATOM 1898 N N . ASN 238 238 ? A 4.297 -7.546 4.699 1.000 1 A 97.897 1 ATOM 1899 C CA . ASN 238 238 ? A 4.409 -6.154 4.277 1.000 1 A 97.897 1 ATOM 1900 C C . ASN 238 238 ? A 3.307 -5.777 3.291 1.000 1 A 97.897 1 ATOM 1901 O O . ASN 238 238 ? A 2.941 -4.605 3.180 1.000 1 A 97.897 1 ATOM 1902 C CB . ASN 238 238 ? A 5.785 -5.888 3.662 1.000 1 A 97.897 1 ATOM 1903 C CG . ASN 238 238 ? A 6.916 -6.105 4.648 1.000 1 A 97.897 1 ATOM 1904 O OD1 . ASN 238 238 ? A 6.848 -5.662 5.797 1.000 1 A 97.897 1 ATOM 1905 N ND2 . ASN 238 238 ? A 7.965 -6.788 4.205 1.000 1 A 97.897 1 ATOM 1906 N N . ALA 239 239 ? A 2.854 -6.732 2.524 1.000 1 A 98.208 1 ATOM 1907 C CA . ALA 239 239 ? A 1.968 -6.372 1.420 1.000 1 A 98.208 1 ATOM 1908 C C . ALA 239 239 ? A 0.866 -7.412 1.241 1.000 1 A 98.208 1 ATOM 1909 O O . ALA 239 239 ? A 1.097 -8.609 1.429 1.000 1 A 98.208 1 ATOM 1910 C CB . ALA 239 239 ? A 2.765 -6.217 0.127 1.000 1 A 98.208 1 ATOM 1911 N N . ILE 240 240 ? A -0.298 -6.933 0.986 1.000 1 A 98.683 1 ATOM 1912 C CA . ILE 240 240 ? A -1.462 -7.743 0.644 1.000 1 A 98.683 1 ATOM 1913 C C . ILE 240 240 ? A -2.101 -7.214 -0.638 1.000 1 A 98.683 1 ATOM 1914 O O . ILE 240 240 ? A -2.255 -6.002 -0.808 1.000 1 A 98.683 1 ATOM 1915 C CB . ILE 240 240 ? A -2.496 -7.759 1.791 1.000 1 A 98.683 1 ATOM 1916 C CG1 . ILE 240 240 ? A -1.862 -8.310 3.074 1.000 1 A 98.683 1 ATOM 1917 C CG2 . ILE 240 240 ? A -3.729 -8.577 1.395 1.000 1 A 98.683 1 ATOM 1918 C CD1 . ILE 240 240 ? A -2.691 -8.066 4.328 1.000 1 A 98.683 1 ATOM 1919 N N . SER 241 241 ? A -2.451 -8.109 -1.558 1.000 1 A 98.473 1 ATOM 1920 C CA . SER 241 241 ? A -3.149 -7.718 -2.778 1.000 1 A 98.473 1 ATOM 1921 C C . SER 241 241 ? A -4.198 -8.753 -3.171 1.000 1 A 98.473 1 ATOM 1922 O O . SER 241 241 ? A -3.921 -9.955 -3.175 1.000 1 A 98.473 1 ATOM 1923 C CB . SER 241 241 ? A -2.157 -7.524 -3.925 1.000 1 A 98.473 1 ATOM 1924 O OG . SER 241 241 ? A -2.823 -7.091 -5.099 1.000 1 A 98.473 1 ATOM 1925 N N . PHE 242 242 ? A -5.366 -8.264 -3.554 1.000 1 A 98.393 1 ATOM 1926 C CA . PHE 242 242 ? A -6.458 -9.158 -3.921 1.000 1 A 98.393 1 ATOM 1927 C C . PHE 242 242 ? A -6.463 -9.420 -5.422 1.000 1 A 98.393 1 ATOM 1928 O O . PHE 242 242 ? A -6.155 -8.528 -6.214 1.000 1 A 98.393 1 ATOM 1929 C CB . PHE 242 242 ? A -7.805 -8.570 -3.486 1.000 1 A 98.393 1 ATOM 1930 C CG . PHE 242 242 ? A -8.138 -8.821 -2.040 1.000 1 A 98.393 1 ATOM 1931 C CD1 . PHE 242 242 ? A -8.732 -10.014 -1.647 1.000 1 A 98.393 1 ATOM 1932 C CD2 . PHE 242 242 ? A -7.858 -7.864 -1.074 1.000 1 A 98.393 1 ATOM 1933 C CE1 . PHE 242 242 ? A -9.042 -10.249 -0.309 1.000 1 A 98.393 1 ATOM 1934 C CE2 . PHE 242 242 ? A -8.165 -8.092 0.264 1.000 1 A 98.393 1 ATOM 1935 C CZ . PHE 242 242 ? A -8.758 -9.285 0.645 1.000 1 A 98.393 1 ATOM 1936 N N . HIS 243 243 ? A -6.788 -10.677 -5.703 1.000 1 A 97.522 1 ATOM 1937 C CA . HIS 243 243 ? A -7.275 -11.029 -7.032 1.000 1 A 97.522 1 ATOM 1938 C C . HIS 243 243 ? A -8.742 -10.648 -7.199 1.000 1 A 97.522 1 ATOM 1939 O O . HIS 243 243 ? A -9.619 -11.245 -6.570 1.000 1 A 97.522 1 ATOM 1940 C CB . HIS 243 243 ? A -7.088 -12.525 -7.291 1.000 1 A 97.522 1 ATOM 1941 C CG . HIS 243 243 ? A -7.167 -12.897 -8.738 1.000 1 A 97.522 1 ATOM 1942 N ND1 . HIS 243 243 ? A -8.338 -12.825 -9.462 1.000 1 A 97.522 1 ATOM 1943 C CD2 . HIS 243 243 ? A -6.218 -13.342 -9.595 1.000 1 A 97.522 1 ATOM 1944 C CE1 . HIS 243 243 ? A -8.104 -13.211 -10.705 1.000 1 A 97.522 1 ATOM 1945 N NE2 . HIS 243 243 ? A -6.826 -13.531 -10.812 1.000 1 A 97.522 1 ATOM 1946 N N . ASN 244 244 ? A -9.051 -9.709 -8.073 1.000 1 A 94.531 1 ATOM 1947 C CA . ASN 244 244 ? A -10.359 -9.072 -8.176 1.000 1 A 94.531 1 ATOM 1948 C C . ASN 244 244 ? A -11.422 -10.050 -8.669 1.000 1 A 94.531 1 ATOM 1949 O O . ASN 244 244 ? A -12.598 -9.920 -8.326 1.000 1 A 94.531 1 ATOM 1950 C CB . ASN 244 244 ? A -10.292 -7.853 -9.098 1.000 1 A 94.531 1 ATOM 1951 C CG . ASN 244 244 ? A -9.625 -6.660 -8.442 1.000 1 A 94.531 1 ATOM 1952 O OD1 . ASN 244 244 ? A -9.666 -6.506 -7.218 1.000 1 A 94.531 1 ATOM 1953 N ND2 . ASN 244 244 ? A -9.005 -5.808 -9.250 1.000 1 A 94.531 1 ATOM 1954 N N . ILE 245 245 ? A -11.068 -11.059 -9.466 1.000 1 A 95.136 1 ATOM 1955 C CA . ILE 245 245 ? A -12.027 -11.974 -10.076 1.000 1 A 95.136 1 ATOM 1956 C C . ILE 245 245 ? A -12.292 -13.147 -9.135 1.000 1 A 95.136 1 ATOM 1957 O O . ILE 245 245 ? A -13.447 -13.492 -8.873 1.000 1 A 95.136 1 ATOM 1958 C CB . ILE 245 245 ? A -11.526 -12.487 -11.445 1.000 1 A 95.136 1 ATOM 1959 C CG1 . ILE 245 245 ? A -11.239 -11.310 -12.384 1.000 1 A 95.136 1 ATOM 1960 C CG2 . ILE 245 245 ? A -12.544 -13.448 -12.066 1.000 1 A 95.136 1 ATOM 1961 C CD1 . ILE 245 245 ? A -12.448 -10.425 -12.655 1.000 1 A 95.136 1 ATOM 1962 N N . HIS 246 246 ? A -11.304 -13.664 -8.433 1.000 1 A 95.787 1 ATOM 1963 C CA . HIS 246 246 ? A -11.449 -14.883 -7.646 1.000 1 A 95.787 1 ATOM 1964 C C . HIS 246 246 ? A -11.647 -14.564 -6.168 1.000 1 A 95.787 1 ATOM 1965 O O . HIS 246 246 ? A -11.948 -15.456 -5.371 1.000 1 A 95.787 1 ATOM 1966 C CB . HIS 246 246 ? A -10.228 -15.787 -7.828 1.000 1 A 95.787 1 ATOM 1967 C CG . HIS 246 246 ? A -10.034 -16.256 -9.235 1.000 1 A 95.787 1 ATOM 1968 N ND1 . HIS 246 246 ? A -8.825 -16.724 -9.704 1.000 1 A 95.787 1 ATOM 1969 C CD2 . HIS 246 246 ? A -10.899 -16.332 -10.274 1.000 1 A 95.787 1 ATOM 1970 C CE1 . HIS 246 246 ? A -8.956 -17.067 -10.974 1.000 1 A 95.787 1 ATOM 1971 N NE2 . HIS 246 246 ? A -10.204 -16.839 -11.344 1.000 1 A 95.787 1 ATOM 1972 N N . ASN 247 247 ? A -11.414 -13.343 -5.801 1.000 1 A 96.073 1 ATOM 1973 C CA . ASN 247 247 ? A -11.531 -12.898 -4.416 1.000 1 A 96.073 1 ATOM 1974 C C . ASN 247 247 ? A -10.539 -13.621 -3.509 1.000 1 A 96.073 1 ATOM 1975 O O . ASN 247 247 ? A -10.808 -13.821 -2.323 1.000 1 A 96.073 1 ATOM 1976 C CB . ASN 247 247 ? A -12.960 -13.099 -3.907 1.000 1 A 96.073 1 ATOM 1977 C CG . ASN 247 247 ? A -13.945 -12.131 -4.533 1.000 1 A 96.073 1 ATOM 1978 O OD1 . ASN 247 247 ? A -13.725 -10.917 -4.535 1.000 1 A 96.073 1 ATOM 1979 N ND2 . ASN 247 247 ? A -15.038 -12.661 -5.069 1.000 1 A 96.073 1 ATOM 1980 N N . THR 248 248 ? A -9.489 -14.184 -4.088 1.000 1 A 97.885 1 ATOM 1981 C CA . THR 248 248 ? A -8.328 -14.675 -3.355 1.000 1 A 97.885 1 ATOM 1982 C C . THR 248 248 ? A -7.308 -13.560 -3.148 1.000 1 A 97.885 1 ATOM 1983 O O . THR 248 248 ? A -7.417 -12.491 -3.753 1.000 1 A 97.885 1 ATOM 1984 C CB . THR 248 248 ? A -7.662 -15.854 -4.088 1.000 1 A 97.885 1 ATOM 1985 O OG1 . THR 248 248 ? A -7.212 -15.416 -5.376 1.000 1 A 97.885 1 ATOM 1986 C CG2 . THR 248 248 ? A -8.639 -17.011 -4.271 1.000 1 A 97.885 1 ATOM 1987 N N . PHE 249 249 ? A -6.391 -13.810 -2.245 1.000 1 A 98.514 1 ATOM 1988 C CA . PHE 249 249 ? A -5.456 -12.712 -2.032 1.000 1 A 98.514 1 ATOM 1989 C C . PHE 249 249 ? A -4.041 -13.238 -1.826 1.000 1 A 98.514 1 ATOM 1990 O O . PHE 249 249 ? A -3.851 -14.407 -1.486 1.000 1 A 98.514 1 ATOM 1991 C CB . PHE 249 249 ? A -5.883 -11.867 -0.827 1.000 1 A 98.514 1 ATOM 1992 C CG . PHE 249 249 ? A -5.798 -12.597 0.486 1.000 1 A 98.514 1 ATOM 1993 C CD1 . PHE 249 249 ? A -6.826 -13.435 0.900 1.000 1 A 98.514 1 ATOM 1994 C CD2 . PHE 249 249 ? A -4.689 -12.444 1.308 1.000 1 A 98.514 1 ATOM 1995 C CE1 . PHE 249 249 ? A -6.750 -14.111 2.115 1.000 1 A 98.514 1 ATOM 1996 C CE2 . PHE 249 249 ? A -4.606 -13.117 2.524 1.000 1 A 98.514 1 ATOM 1997 C CZ . PHE 249 249 ? A -5.638 -13.949 2.926 1.000 1 A 98.514 1 ATOM 1998 N N . ALA 250 250 ? A -3.075 -12.384 -2.166 1.000 1 A 98.703 1 ATOM 1999 C CA . ALA 250 250 ? A -1.651 -12.676 -2.019 1.000 1 A 98.703 1 ATOM 2000 C C . ALA 250 250 ? A -1.056 -11.921 -0.834 1.000 1 A 98.703 1 ATOM 2001 O O . ALA 250 250 ? A -1.452 -10.788 -0.550 1.000 1 A 98.703 1 ATOM 2002 C CB . ALA 250 250 ? A -0.901 -12.325 -3.301 1.000 1 A 98.703 1 ATOM 2003 N N . THR 251 251 ? A -0.175 -12.602 -0.177 1.000 1 A 98.804 1 ATOM 2004 C CA . THR 251 251 ? A 0.606 -11.969 0.880 1.000 1 A 98.804 1 ATOM 2005 C C . THR 251 251 ? A 2.095 -12.005 0.548 1.000 1 A 98.804 1 ATOM 2006 O O . THR 251 251 ? A 2.592 -12.994 0.005 1.000 1 A 98.804 1 ATOM 2007 C CB . THR 251 251 ? A 0.365 -12.652 2.239 1.000 1 A 98.804 1 ATOM 2008 O OG1 . THR 251 251 ? A 0.776 -14.022 2.159 1.000 1 A 98.804 1 ATOM 2009 C CG2 . THR 251 251 ? A -1.109 -12.597 2.628 1.000 1 A 98.804 1 ATOM 2010 N N . GLY 252 252 ? A 2.779 -10.902 0.783 1.000 1 A 98.538 1 ATOM 2011 C CA . GLY 252 252 ? A 4.220 -10.780 0.632 1.000 1 A 98.538 1 ATOM 2012 C C . GLY 252 252 ? A 4.932 -10.471 1.936 1.000 1 A 98.538 1 ATOM 2013 O O . GLY 252 252 ? A 4.610 -9.489 2.608 1.000 1 A 98.538 1 ATOM 2014 N N . GLY 253 253 ? A 5.941 -11.280 2.227 1.000 1 A 97.359 1 ATOM 2015 C CA . GLY 253 253 ? A 6.619 -11.125 3.504 1.000 1 A 97.359 1 ATOM 2016 C C . GLY 253 253 ? A 8.087 -10.772 3.361 1.000 1 A 97.359 1 ATOM 2017 O O . GLY 253 253 ? A 8.643 -10.837 2.262 1.000 1 A 97.359 1 ATOM 2018 N N . SER 254 254 ? A 8.694 -10.385 4.442 1.000 1 A 97.016 1 ATOM 2019 C CA . SER 254 254 ? A 10.115 -10.055 4.471 1.000 1 A 97.016 1 ATOM 2020 C C . SER 254 254 ? A 10.975 -11.304 4.318 1.000 1 A 97.016 1 ATOM 2021 O O . SER 254 254 ? A 12.200 -11.211 4.205 1.000 1 A 97.016 1 ATOM 2022 C CB . SER 254 254 ? A 10.472 -9.336 5.773 1.000 1 A 97.016 1 ATOM 2023 O OG . SER 254 254 ? A 9.883 -8.048 5.815 1.000 1 A 97.016 1 ATOM 2024 N N . ASP 255 255 ? A 10.336 -12.484 4.302 1.000 1 A 96.160 1 ATOM 2025 C CA . ASP 255 255 ? A 11.040 -13.741 4.064 1.000 1 A 96.160 1 ATOM 2026 C C . ASP 255 255 ? A 11.278 -13.964 2.573 1.000 1 A 96.160 1 ATOM 2027 O O . ASP 255 255 ? A 11.902 -14.951 2.179 1.000 1 A 96.160 1 ATOM 2028 C CB . ASP 255 255 ? A 10.255 -14.915 4.653 1.000 1 A 96.160 1 ATOM 2029 C CG . ASP 255 255 ? A 8.827 -14.991 4.141 1.000 1 A 96.160 1 ATOM 2030 O OD1 . ASP 255 255 ? A 8.338 -14.004 3.550 1.000 1 A 96.160 1 ATOM 2031 O OD2 . ASP 255 255 ? A 8.185 -16.046 4.332 1.000 1 A 96.160 1 ATOM 2032 N N . GLY 256 256 ? A 10.723 -13.098 1.697 1.000 1 A 97.227 1 ATOM 2033 C CA . GLY 256 256 ? A 10.957 -13.171 0.264 1.000 1 A 97.227 1 ATOM 2034 C C . GLY 256 256 ? A 9.949 -14.043 -0.461 1.000 1 A 97.227 1 ATOM 2035 O O . GLY 256 256 ? A 10.057 -14.250 -1.672 1.000 1 A 97.227 1 ATOM 2036 N N . PHE 257 257 ? A 8.894 -14.518 0.255 1.000 1 A 98.148 1 ATOM 2037 C CA . PHE 257 257 ? A 7.886 -15.384 -0.345 1.000 1 A 98.148 1 ATOM 2038 C C . PHE 257 257 ? A 6.597 -14.613 -0.607 1.000 1 A 98.148 1 ATOM 2039 O O . PHE 257 257 ? A 6.270 -13.675 0.123 1.000 1 A 98.148 1 ATOM 2040 C CB . PHE 257 257 ? A 7.602 -16.588 0.558 1.000 1 A 98.148 1 ATOM 2041 C CG . PHE 257 257 ? A 8.693 -17.624 0.549 1.000 1 A 98.148 1 ATOM 2042 C CD1 . PHE 257 257 ? A 8.893 -18.433 -0.563 1.000 1 A 98.148 1 ATOM 2043 C CD2 . PHE 257 257 ? A 9.520 -17.790 1.653 1.000 1 A 98.148 1 ATOM 2044 C CE1 . PHE 257 257 ? A 9.903 -19.393 -0.575 1.000 1 A 98.148 1 ATOM 2045 C CE2 . PHE 257 257 ? A 10.530 -18.747 1.648 1.000 1 A 98.148 1 ATOM 2046 C CZ . PHE 257 257 ? A 10.719 -19.548 0.534 1.000 1 A 98.148 1 ATOM 2047 N N . VAL 258 258 ? A 5.932 -15.029 -1.637 1.000 1 A 98.563 1 ATOM 2048 C CA . VAL 258 258 ? A 4.560 -14.624 -1.928 1.000 1 A 98.563 1 ATOM 2049 C C . VAL 258 258 ? A 3.633 -15.833 -1.829 1.000 1 A 98.563 1 ATOM 2050 O O . VAL 258 258 ? A 3.861 -16.854 -2.481 1.000 1 A 98.563 1 ATOM 2051 C CB . VAL 258 258 ? A 4.444 -13.977 -3.326 1.000 1 A 98.563 1 ATOM 2052 C CG1 . VAL 258 258 ? A 2.991 -13.623 -3.639 1.000 1 A 98.563 1 ATOM 2053 C CG2 . VAL 258 258 ? A 5.331 -12.736 -3.415 1.000 1 A 98.563 1 ATOM 2054 N N . ASN 259 259 ? A 2.628 -15.719 -0.980 1.000 1 A 98.475 1 ATOM 2055 C CA . ASN 259 259 ? A 1.634 -16.773 -0.806 1.000 1 A 98.475 1 ATOM 2056 C C . ASN 259 259 ? A 0.260 -16.335 -1.306 1.000 1 A 98.475 1 ATOM 2057 O O . ASN 259 259 ? A -0.151 -15.194 -1.086 1.000 1 A 98.475 1 ATOM 2058 C CB . ASN 259 259 ? A 1.553 -17.198 0.661 1.000 1 A 98.475 1 ATOM 2059 C CG . ASN 259 259 ? A 2.868 -17.745 1.184 1.000 1 A 98.475 1 ATOM 2060 O OD1 . ASN 259 259 ? A 3.376 -18.753 0.686 1.000 1 A 98.475 1 ATOM 2061 N ND2 . ASN 259 259 ? A 3.427 -17.083 2.190 1.000 1 A 98.475 1 ATOM 2062 N N . ILE 260 260 ? A -0.462 -17.271 -2.016 1.000 1 A 98.365 1 ATOM 2063 C CA . ILE 260 260 ? A -1.832 -17.037 -2.458 1.000 1 A 98.365 1 ATOM 2064 C C . ILE 260 260 ? A -2.801 -17.811 -1.566 1.000 1 A 98.365 1 ATOM 2065 O O . ILE 260 260 ? A -2.649 -19.019 -1.375 1.000 1 A 98.365 1 ATOM 2066 C CB . ILE 260 260 ? A -2.026 -17.442 -3.937 1.000 1 A 98.365 1 ATOM 2067 C CG1 . ILE 260 260 ? A -0.961 -16.776 -4.816 1.000 1 A 98.365 1 ATOM 2068 C CG2 . ILE 260 260 ? A -3.435 -17.082 -4.415 1.000 1 A 98.365 1 ATOM 2069 C CD1 . ILE 260 260 ? A -1.024 -15.255 -4.819 1.000 1 A 98.365 1 ATOM 2070 N N . TRP 261 261 ? A -3.814 -17.055 -1.075 1.000 1 A 98.399 1 ATOM 2071 C CA . TRP 261 261 ? A -4.724 -17.624 -0.086 1.000 1 A 98.399 1 ATOM 2072 C C . TRP 261 261 ? A -6.170 -17.538 -0.564 1.000 1 A 98.399 1 ATOM 2073 O O . TRP 261 261 ? A -6.538 -16.606 -1.282 1.000 1 A 98.399 1 ATOM 2074 C CB . TRP 261 261 ? A -4.574 -16.906 1.258 1.000 1 A 98.399 1 ATOM 2075 C CG . TRP 261 261 ? A -3.174 -16.905 1.795 1.000 1 A 98.399 1 ATOM 2076 C CD1 . TRP 261 261 ? A -2.202 -15.973 1.559 1.000 1 A 98.399 1 ATOM 2077 C CD2 . TRP 261 261 ? A -2.588 -17.887 2.655 1.000 1 A 98.399 1 ATOM 2078 N NE1 . TRP 261 261 ? A -1.046 -16.316 2.222 1.000 1 A 98.399 1 ATOM 2079 C CE2 . TRP 261 261 ? A -1.256 -17.486 2.902 1.000 1 A 98.399 1 ATOM 2080 C CE3 . TRP 261 261 ? A -3.061 -19.068 3.243 1.000 1 A 98.399 1 ATOM 2081 C CZ2 . TRP 261 261 ? A -0.392 -18.225 3.712 1.000 1 A 98.399 1 ATOM 2082 C CZ3 . TRP 261 261 ? A -2.199 -19.802 4.049 1.000 1 A 98.399 1 ATOM 2083 C CH2 . TRP 261 261 ? A -0.879 -19.376 4.275 1.000 1 A 98.399 1 ATOM 2084 N N . ASP 262 262 ? A -6.924 -18.485 -0.146 1.000 1 A 97.226 1 ATOM 2085 C CA . ASP 262 262 ? A -8.380 -18.449 -0.243 1.000 1 A 97.226 1 ATOM 2086 C C . ASP 262 262 ? A -9.014 -18.140 1.112 1.000 1 A 97.226 1 ATOM 2087 O O . ASP 262 262 ? A -9.061 -19.002 1.992 1.000 1 A 97.226 1 ATOM 2088 C CB . ASP 262 262 ? A -8.915 -19.777 -0.783 1.000 1 A 97.226 1 ATOM 2089 C CG . ASP 262 262 ? A -10.414 -19.758 -1.025 1.000 1 A 97.226 1 ATOM 2090 O OD1 . ASP 262 262 ? A -11.086 -18.786 -0.616 1.000 1 A 97.226 1 ATOM 2091 O OD2 . ASP 262 262 ? A -10.929 -20.725 -1.628 1.000 1 A 97.226 1 ATOM 2092 N N . PRO 263 263 ? A -9.533 -16.926 1.168 1.000 1 A 96.296 1 ATOM 2093 C CA . PRO 263 263 ? A -10.020 -16.510 2.485 1.000 1 A 96.296 1 ATOM 2094 C C . PRO 263 263 ? A -11.300 -17.234 2.898 1.000 1 A 96.296 1 ATOM 2095 O O . PRO 263 263 ? A -11.573 -17.380 4.092 1.000 1 A 96.296 1 ATOM 2096 C CB . PRO 263 263 ? A -10.274 -15.010 2.310 1.000 1 A 96.296 1 ATOM 2097 C CG . PRO 263 263 ? A -10.524 -14.833 0.847 1.000 1 A 96.296 1 ATOM 2098 C CD . PRO 263 263 ? A -9.653 -15.799 0.095 1.000 1 A 96.296 1 ATOM 2099 N N . PHE 264 264 ? A -12.112 -17.781 2.022 1.000 1 A 94.305 1 ATOM 2100 C CA . PHE 264 264 ? A -13.404 -18.383 2.326 1.000 1 A 94.305 1 ATOM 2101 C C . PHE 264 264 ? A -13.244 -19.853 2.693 1.000 1 A 94.305 1 ATOM 2102 O O . PHE 264 264 ? A -13.977 -20.372 3.538 1.000 1 A 94.305 1 ATOM 2103 C CB . PHE 264 264 ? A -14.359 -18.240 1.137 1.000 1 A 94.305 1 ATOM 2104 C CG . PHE 264 264 ? A -14.653 -16.812 0.763 1.000 1 A 94.305 1 ATOM 2105 C CD1 . PHE 264 264 ? A -15.437 -16.011 1.584 1.000 1 A 94.305 1 ATOM 2106 C CD2 . PHE 264 264 ? A -14.145 -16.271 -0.411 1.000 1 A 94.305 1 ATOM 2107 C CE1 . PHE 264 264 ? A -15.711 -14.689 1.240 1.000 1 A 94.305 1 ATOM 2108 C CE2 . PHE 264 264 ? A -14.414 -14.950 -0.761 1.000 1 A 94.305 1 ATOM 2109 C CZ . PHE 264 264 ? A -15.198 -14.162 0.066 1.000 1 A 94.305 1 ATOM 2110 N N . ASN 265 265 ? A -12.196 -20.482 2.112 1.000 1 A 94.759 1 ATOM 2111 C CA . ASN 265 265 ? A -11.933 -21.879 2.441 1.000 1 A 94.759 1 ATOM 2112 C C . ASN 265 265 ? A -10.766 -22.016 3.415 1.000 1 A 94.759 1 ATOM 2113 O O . ASN 265 265 ? A -10.324 -23.128 3.709 1.000 1 A 94.759 1 ATOM 2114 C CB . ASN 265 265 ? A -11.662 -22.688 1.171 1.000 1 A 94.759 1 ATOM 2115 C CG . ASN 265 265 ? A -12.883 -22.802 0.280 1.000 1 A 94.759 1 ATOM 2116 O OD1 . ASN 265 265 ? A -13.993 -23.056 0.756 1.000 1 A 94.759 1 ATOM 2117 N ND2 . ASN 265 265 ? A -12.688 -22.614 -1.020 1.000 1 A 94.759 1 ATOM 2118 N N . LYS 266 266 ? A -10.186 -20.945 3.862 1.000 1 A 94.910 1 ATOM 2119 C CA . LYS 266 266 ? A -9.112 -20.884 4.849 1.000 1 A 94.910 1 ATOM 2120 C C . LYS 266 266 ? A -7.964 -21.816 4.471 1.000 1 A 94.910 1 ATOM 2121 O O . LYS 266 266 ? A -7.508 -22.613 5.294 1.000 1 A 94.910 1 ATOM 2122 C CB . LYS 266 266 ? A -9.639 -21.239 6.240 1.000 1 A 94.910 1 ATOM 2123 C CG . LYS 266 266 ? A -10.774 -20.345 6.718 1.000 1 A 94.910 1 ATOM 2124 C CD . LYS 266 266 ? A -11.258 -20.750 8.104 1.000 1 A 94.910 1 ATOM 2125 C CE . LYS 266 266 ? A -12.446 -19.909 8.551 1.000 1 A 94.910 1 ATOM 2126 N NZ . LYS 266 266 ? A -12.913 -20.290 9.917 1.000 1 A 94.910 1 ATOM 2127 N N . LYS 267 267 ? A -7.512 -21.631 3.213 1.000 1 A 95.089 1 ATOM 2128 C CA . LYS 267 267 ? A -6.437 -22.487 2.719 1.000 1 A 95.089 1 ATOM 2129 C C . LYS 267 267 ? A -5.449 -21.694 1.869 1.000 1 A 95.089 1 ATOM 2130 O O . LYS 267 267 ? A -5.829 -20.728 1.205 1.000 1 A 95.089 1 ATOM 2131 C CB . LYS 267 267 ? A -7.008 -23.652 1.910 1.000 1 A 95.089 1 ATOM 2132 C CG . LYS 267 267 ? A -7.692 -23.232 0.617 1.000 1 A 95.089 1 ATOM 2133 C CD . LYS 267 267 ? A -8.232 -24.434 -0.146 1.000 1 A 95.089 1 ATOM 2134 C CE . LYS 267 267 ? A -8.850 -24.022 -1.476 1.000 1 A 95.089 1 ATOM 2135 N NZ . LYS 267 267 ? A -9.341 -25.203 -2.247 1.000 1 A 95.089 1 ATOM 2136 N N . ARG 268 268 ? A -4.179 -22.189 2.033 1.000 1 A 96.518 1 ATOM 2137 C CA . ARG 268 268 ? A -3.161 -21.667 1.128 1.000 1 A 96.518 1 ATOM 2138 C C . ARG 268 268 ? A -3.215 -22.373 -0.223 1.000 1 A 96.518 1 ATOM 2139 O O . ARG 268 268 ? A -3.131 -23.601 -0.291 1.000 1 A 96.518 1 ATOM 2140 C CB . ARG 268 268 ? A -1.767 -21.815 1.742 1.000 1 A 96.518 1 ATOM 2141 C CG . ARG 268 268 ? A -0.662 -21.164 0.926 1.000 1 A 96.518 1 ATOM 2142 C CD . ARG 268 268 ? A 0.687 -21.264 1.623 1.000 1 A 96.518 1 ATOM 2143 N NE . ARG 268 268 ? A 1.195 -22.633 1.622 1.000 1 A 96.518 1 ATOM 2144 C CZ . ARG 268 268 ? A 2.303 -23.031 2.242 1.000 1 A 96.518 1 ATOM 2145 N NH1 . ARG 268 268 ? A 3.043 -22.168 2.928 1.000 1 A 96.518 1 ATOM 2146 N NH2 . ARG 268 268 ? A 2.673 -24.302 2.175 1.000 1 A 96.518 1 ATOM 2147 N N . LEU 269 269 ? A -3.352 -21.620 -1.321 1.000 1 A 96.438 1 ATOM 2148 C CA . LEU 269 269 ? A -3.476 -22.199 -2.654 1.000 1 A 96.438 1 ATOM 2149 C C . LEU 269 269 ? A -2.102 -22.487 -3.251 1.000 1 A 96.438 1 ATOM 2150 O O . LEU 269 269 ? A -1.864 -23.579 -3.772 1.000 1 A 96.438 1 ATOM 2151 C CB . LEU 269 269 ? A -4.259 -21.261 -3.575 1.000 1 A 96.438 1 ATOM 2152 C CG . LEU 269 269 ? A -5.684 -20.917 -3.139 1.000 1 A 96.438 1 ATOM 2153 C CD1 . LEU 269 269 ? A -6.298 -19.897 -4.092 1.000 1 A 96.438 1 ATOM 2154 C CD2 . LEU 269 269 ? A -6.542 -22.176 -3.071 1.000 1 A 96.438 1 ATOM 2155 N N . CYS 270 270 ? A -1.334 -21.474 -3.149 1.000 1 A 96.003 1 ATOM 2156 C CA . CYS 270 270 ? A -0.034 -21.598 -3.798 1.000 1 A 96.003 1 ATOM 2157 C C . CYS 270 270 ? A 1.006 -20.726 -3.105 1.000 1 A 96.003 1 ATOM 2158 O O . CYS 270 270 ? A 0.663 -19.723 -2.477 1.000 1 A 96.003 1 ATOM 2159 C CB . CYS 270 270 ? A -0.133 -21.215 -5.274 1.000 1 A 96.003 1 ATOM 2160 S SG . CYS 270 270 ? A 1.433 -21.342 -6.165 1.000 1 A 96.003 1 ATOM 2161 N N . GLN 271 271 ? A 2.284 -21.198 -3.147 1.000 1 A 96.762 1 ATOM 2162 C CA . GLN 271 271 ? A 3.438 -20.408 -2.731 1.000 1 A 96.762 1 ATOM 2163 C C . GLN 271 271 ? A 4.430 -20.238 -3.878 1.000 1 A 96.762 1 ATOM 2164 O O . GLN 271 271 ? A 4.867 -21.222 -4.479 1.000 1 A 96.762 1 ATOM 2165 C CB . GLN 271 271 ? A 4.129 -21.057 -1.531 1.000 1 A 96.762 1 ATOM 2166 C CG . GLN 271 271 ? A 5.307 -20.256 -0.992 1.000 1 A 96.762 1 ATOM 2167 C CD . GLN 271 271 ? A 5.986 -20.931 0.184 1.000 1 A 96.762 1 ATOM 2168 O OE1 . GLN 271 271 ? A 6.841 -21.805 0.007 1.000 1 A 96.762 1 ATOM 2169 N NE2 . GLN 271 271 ? A 5.611 -20.532 1.395 1.000 1 A 96.762 1 ATOM 2170 N N . PHE 272 272 ? A 4.771 -19.047 -4.141 1.000 1 A 96.976 1 ATOM 2171 C CA . PHE 272 272 ? A 5.736 -18.787 -5.202 1.000 1 A 96.976 1 ATOM 2172 C C . PHE 272 272 ? A 7.160 -19.008 -4.706 1.000 1 A 96.976 1 ATOM 2173 O O . PHE 272 272 ? A 7.389 -19.142 -3.502 1.000 1 A 96.976 1 ATOM 2174 C CB . PHE 272 272 ? A 5.581 -17.358 -5.733 1.000 1 A 96.976 1 ATOM 2175 C CG . PHE 272 272 ? A 4.249 -17.092 -6.381 1.000 1 A 96.976 1 ATOM 2176 C CD1 . PHE 272 272 ? A 3.469 -18.140 -6.853 1.000 1 A 96.976 1 ATOM 2177 C CD2 . PHE 272 272 ? A 3.777 -15.793 -6.517 1.000 1 A 96.976 1 ATOM 2178 C CE1 . PHE 272 272 ? A 2.236 -17.897 -7.453 1.000 1 A 96.976 1 ATOM 2179 C CE2 . PHE 272 272 ? A 2.546 -15.542 -7.116 1.000 1 A 96.976 1 ATOM 2180 C CZ . PHE 272 272 ? A 1.777 -16.596 -7.584 1.000 1 A 96.976 1 ATOM 2181 N N . HIS 273 273 ? A 8.090 -19.086 -5.724 1.000 1 A 95.993 1 ATOM 2182 C CA . HIS 273 273 ? A 9.496 -19.233 -5.367 1.000 1 A 95.993 1 ATOM 2183 C C . HIS 273 273 ? A 9.999 -18.018 -4.594 1.000 1 A 95.993 1 ATOM 2184 O O . HIS 273 273 ? A 9.345 -16.973 -4.579 1.000 1 A 95.993 1 ATOM 2185 C CB . HIS 273 273 ? A 10.347 -19.448 -6.619 1.000 1 A 95.993 1 ATOM 2186 C CG . HIS 273 273 ? A 10.409 -18.253 -7.515 1.000 1 A 95.993 1 ATOM 2187 N ND1 . HIS 273 273 ? A 11.362 -17.267 -7.376 1.000 1 A 95.993 1 ATOM 2188 C CD2 . HIS 273 273 ? A 9.635 -17.887 -8.565 1.000 1 A 95.993 1 ATOM 2189 C CE1 . HIS 273 273 ? A 11.170 -16.344 -8.304 1.000 1 A 95.993 1 ATOM 2190 N NE2 . HIS 273 273 ? A 10.129 -16.696 -9.038 1.000 1 A 95.993 1 ATOM 2191 N N . ARG 274 274 ? A 11.069 -18.202 -3.915 1.000 1 A 97.293 1 ATOM 2192 C CA . ARG 274 274 ? A 11.633 -17.134 -3.096 1.000 1 A 97.293 1 ATOM 2193 C C . ARG 274 274 ? A 12.281 -16.062 -3.965 1.000 1 A 97.293 1 ATOM 2194 O O . ARG 274 274 ? A 13.107 -16.369 -4.828 1.000 1 A 97.293 1 ATOM 2195 C CB . ARG 274 274 ? A 12.657 -17.697 -2.108 1.000 1 A 97.293 1 ATOM 2196 C CG . ARG 274 274 ? A 13.146 -16.686 -1.084 1.000 1 A 97.293 1 ATOM 2197 C CD . ARG 274 274 ? A 14.040 -17.332 -0.035 1.000 1 A 97.293 1 ATOM 2198 N NE . ARG 274 274 ? A 14.469 -16.369 0.975 1.000 1 A 97.293 1 ATOM 2199 C CZ . ARG 274 274 ? A 14.439 -16.583 2.287 1.000 1 A 97.293 1 ATOM 2200 N NH1 . ARG 274 274 ? A 13.998 -17.736 2.777 1.000 1 A 97.293 1 ATOM 2201 N NH2 . ARG 274 274 ? A 14.854 -15.637 3.117 1.000 1 A 97.293 1 ATOM 2202 N N . TYR 275 275 ? A 11.925 -14.806 -3.737 1.000 1 A 97.526 1 ATOM 2203 C CA . TYR 275 275 ? A 12.498 -13.668 -4.446 1.000 1 A 97.526 1 ATOM 2204 C C . TYR 275 275 ? A 13.763 -13.174 -3.753 1.000 1 A 97.526 1 ATOM 2205 O O . TYR 275 275 ? A 14.061 -13.581 -2.628 1.000 1 A 97.526 1 ATOM 2206 C CB . TYR 275 275 ? A 11.479 -12.529 -4.547 1.000 1 A 97.526 1 ATOM 2207 C CG . TYR 275 275 ? A 10.312 -12.836 -5.453 1.000 1 A 97.526 1 ATOM 2208 C CD1 . TYR 275 275 ? A 10.312 -12.425 -6.784 1.000 1 A 97.526 1 ATOM 2209 C CD2 . TYR 275 275 ? A 9.208 -13.537 -4.981 1.000 1 A 97.526 1 ATOM 2210 C CE1 . TYR 275 275 ? A 9.238 -12.704 -7.623 1.000 1 A 97.526 1 ATOM 2211 C CE2 . TYR 275 275 ? A 8.128 -13.822 -5.811 1.000 1 A 97.526 1 ATOM 2212 C CZ . TYR 275 275 ? A 8.153 -13.403 -7.129 1.000 1 A 97.526 1 ATOM 2213 O OH . TYR 275 275 ? A 7.087 -13.682 -7.954 1.000 1 A 97.526 1 ATOM 2214 N N . PRO 276 276 ? A 14.593 -12.429 -4.390 1.000 1 A 96.767 1 ATOM 2215 C CA . PRO 276 276 ? A 15.953 -12.107 -3.951 1.000 1 A 96.767 1 ATOM 2216 C C . PRO 276 276 ? A 15.994 -11.502 -2.550 1.000 1 A 96.767 1 ATOM 2217 O O . PRO 276 276 ? A 16.956 -11.717 -1.808 1.000 1 A 96.767 1 ATOM 2218 C CB . PRO 276 276 ? A 16.431 -11.097 -4.997 1.000 1 A 96.767 1 ATOM 2219 C CG . PRO 276 276 ? A 15.707 -11.471 -6.249 1.000 1 A 96.767 1 ATOM 2220 C CD . PRO 276 276 ? A 14.312 -11.894 -5.886 1.000 1 A 96.767 1 ATOM 2221 N N . THR 277 277 ? A 14.960 -10.672 -2.208 1.000 1 A 96.289 1 ATOM 2222 C CA . THR 277 277 ? A 14.923 -10.068 -0.880 1.000 1 A 96.289 1 ATOM 2223 C C . THR 277 277 ? A 13.484 -9.893 -0.405 1.000 1 A 96.289 1 ATOM 2224 O O . THR 277 277 ? A 12.567 -10.522 -0.939 1.000 1 A 96.289 1 ATOM 2225 C CB . THR 277 277 ? A 15.640 -8.705 -0.867 1.000 1 A 96.289 1 ATOM 2226 O OG1 . THR 277 277 ? A 15.733 -8.234 0.483 1.000 1 A 96.289 1 ATOM 2227 C CG2 . THR 277 277 ? A 14.883 -7.677 -1.701 1.000 1 A 96.289 1 ATOM 2228 N N . SER 278 278 ? A 13.179 -8.917 0.556 1.000 1 A 97.564 1 ATOM 2229 C CA . SER 278 278 ? A 11.861 -8.706 1.144 1.000 1 A 97.564 1 ATOM 2230 C C . SER 278 278 ? A 10.849 -8.267 0.090 1.000 1 A 97.564 1 ATOM 2231 O O . SER 278 278 ? A 11.196 -7.547 -0.849 1.000 1 A 97.564 1 ATOM 2232 C CB . SER 278 278 ? A 11.932 -7.663 2.260 1.000 1 A 97.564 1 ATOM 2233 O OG . SER 278 278 ? A 12.881 -8.041 3.242 1.000 1 A 97.564 1 ATOM 2234 N N . ILE 279 279 ? A 9.639 -8.807 0.241 1.000 1 A 98.491 1 ATOM 2235 C CA . ILE 279 279 ? A 8.558 -8.333 -0.617 1.000 1 A 98.491 1 ATOM 2236 C C . ILE 279 279 ? A 7.941 -7.070 -0.019 1.000 1 A 98.491 1 ATOM 2237 O O . ILE 279 279 ? A 7.248 -7.133 0.999 1.000 1 A 98.491 1 ATOM 2238 C CB . ILE 279 279 ? A 7.476 -9.418 -0.812 1.000 1 A 98.491 1 ATOM 2239 C CG1 . ILE 279 279 ? A 8.113 -10.728 -1.290 1.000 1 A 98.491 1 ATOM 2240 C CG2 . ILE 279 279 ? A 6.404 -8.940 -1.796 1.000 1 A 98.491 1 ATOM 2241 C CD1 . ILE 279 279 ? A 8.925 -10.590 -2.570 1.000 1 A 98.491 1 ATOM 2242 N N . ALA 280 280 ? A 8.133 -5.905 -0.678 1.000 1 A 98.100 1 ATOM 2243 C CA . ALA 280 280 ? A 7.744 -4.601 -0.147 1.000 1 A 98.100 1 ATOM 2244 C C . ALA 280 280 ? A 6.327 -4.234 -0.579 1.000 1 A 98.100 1 ATOM 2245 O O . ALA 280 280 ? A 5.610 -3.541 0.146 1.000 1 A 98.100 1 ATOM 2246 C CB . ALA 280 280 ? A 8.730 -3.527 -0.599 1.000 1 A 98.100 1 ATOM 2247 N N . SER 281 281 ? A 5.881 -4.634 -1.775 1.000 1 A 98.650 1 ATOM 2248 C CA . SER 281 281 ? A 4.578 -4.273 -2.324 1.000 1 A 98.650 1 ATOM 2249 C C . SER 281 281 ? A 4.110 -5.296 -3.354 1.000 1 A 98.650 1 ATOM 2250 O O . SER 281 281 ? A 4.925 -5.886 -4.066 1.000 1 A 98.650 1 ATOM 2251 C CB . SER 281 281 ? A 4.629 -2.884 -2.960 1.000 1 A 98.650 1 ATOM 2252 O OG . SER 281 281 ? A 3.339 -2.474 -3.378 1.000 1 A 98.650 1 ATOM 2253 N N . LEU 282 282 ? A 2.795 -5.501 -3.391 1.000 1 A 98.761 1 ATOM 2254 C CA . LEU 282 282 ? A 2.135 -6.388 -4.343 1.000 1 A 98.761 1 ATOM 2255 C C . LEU 282 282 ? A 0.978 -5.677 -5.037 1.000 1 A 98.761 1 ATOM 2256 O O . LEU 282 282 ? A 0.300 -4.846 -4.428 1.000 1 A 98.761 1 ATOM 2257 C CB . LEU 282 282 ? A 1.625 -7.648 -3.638 1.000 1 A 98.761 1 ATOM 2258 C CG . LEU 282 282 ? A 2.692 -8.579 -3.058 1.000 1 A 98.761 1 ATOM 2259 C CD1 . LEU 282 282 ? A 2.044 -9.644 -2.179 1.000 1 A 98.761 1 ATOM 2260 C CD2 . LEU 282 282 ? A 3.505 -9.223 -4.176 1.000 1 A 98.761 1 ATOM 2261 N N . ALA 283 283 ? A 0.765 -6.107 -6.315 1.000 1 A 98.468 1 ATOM 2262 C CA . ALA 283 283 ? A -0.400 -5.541 -6.989 1.000 1 A 98.468 1 ATOM 2263 C C . ALA 283 283 ? A -0.912 -6.478 -8.079 1.000 1 A 98.468 1 ATOM 2264 O O . ALA 283 283 ? A -0.219 -6.730 -9.067 1.000 1 A 98.468 1 ATOM 2265 C CB . ALA 283 283 ? A -0.060 -4.176 -7.583 1.000 1 A 98.468 1 ATOM 2266 N N . PHE 284 284 ? A -2.126 -6.961 -7.859 1.000 1 A 98.334 1 ATOM 2267 C CA . PHE 284 284 ? A -2.800 -7.654 -8.951 1.000 1 A 98.334 1 ATOM 2268 C C . PHE 284 284 ? A -3.348 -6.658 -9.967 1.000 1 A 98.334 1 ATOM 2269 O O . PHE 284 284 ? A -3.873 -5.607 -9.593 1.000 1 A 98.334 1 ATOM 2270 C CB . PHE 284 284 ? A -3.934 -8.533 -8.414 1.000 1 A 98.334 1 ATOM 2271 C CG . PHE 284 284 ? A -3.485 -9.900 -7.973 1.000 1 A 98.334 1 ATOM 2272 C CD1 . PHE 284 284 ? A -3.170 -10.878 -8.909 1.000 1 A 98.334 1 ATOM 2273 C CD2 . PHE 284 284 ? A -3.378 -10.207 -6.623 1.000 1 A 98.334 1 ATOM 2274 C CE1 . PHE 284 284 ? A -2.754 -12.145 -8.504 1.000 1 A 98.334 1 ATOM 2275 C CE2 . PHE 284 284 ? A -2.964 -11.471 -6.211 1.000 1 A 98.334 1 ATOM 2276 C CZ . PHE 284 284 ? A -2.653 -12.438 -7.153 1.000 1 A 98.334 1 ATOM 2277 N N . SER 285 285 ? A -3.220 -7.032 -11.253 1.000 1 A 97.432 1 ATOM 2278 C CA . SER 285 285 ? A -3.919 -6.224 -12.247 1.000 1 A 97.432 1 ATOM 2279 C C . SER 285 285 ? A -5.431 -6.373 -12.116 1.000 1 A 97.432 1 ATOM 2280 O O . SER 285 285 ? A -5.916 -7.340 -11.525 1.000 1 A 97.432 1 ATOM 2281 C CB . SER 285 285 ? A -3.481 -6.614 -13.659 1.000 1 A 97.432 1 ATOM 2282 O OG . SER 285 285 ? A -3.814 -7.964 -13.935 1.000 1 A 97.432 1 ATOM 2283 N N . ASN 286 286 ? A -6.126 -5.441 -12.576 1.000 1 A 94.436 1 ATOM 2284 C CA . ASN 286 286 ? A -7.576 -5.416 -12.424 1.000 1 A 94.436 1 ATOM 2285 C C . ASN 286 286 ? A -8.226 -6.653 -13.037 1.000 1 A 94.436 1 ATOM 2286 O O . ASN 286 286 ? A -9.220 -7.161 -12.515 1.000 1 A 94.436 1 ATOM 2287 C CB . ASN 286 286 ? A -8.160 -4.146 -13.046 1.000 1 A 94.436 1 ATOM 2288 C CG . ASN 286 286 ? A -9.589 -3.886 -12.611 1.000 1 A 94.436 1 ATOM 2289 O OD1 . ASN 286 286 ? A -9.914 -3.966 -11.424 1.000 1 A 94.436 1 ATOM 2290 N ND2 . ASN 286 286 ? A -10.452 -3.572 -13.570 1.000 1 A 94.436 1 ATOM 2291 N N . ASP 287 287 ? A -7.678 -7.128 -14.162 1.000 1 A 95.276 1 ATOM 2292 C CA . ASP 287 287 ? A -8.250 -8.296 -14.826 1.000 1 A 95.276 1 ATOM 2293 C C . ASP 287 287 ? A -7.762 -9.590 -14.179 1.000 1 A 95.276 1 ATOM 2294 O O . ASP 287 287 ? A -8.165 -10.683 -14.582 1.000 1 A 95.276 1 ATOM 2295 C CB . ASP 287 287 ? A -7.902 -8.290 -16.316 1.000 1 A 95.276 1 ATOM 2296 C CG . ASP 287 287 ? A -6.407 -8.324 -16.576 1.000 1 A 95.276 1 ATOM 2297 O OD1 . ASP 287 287 ? A -5.622 -8.439 -15.610 1.000 1 A 95.276 1 ATOM 2298 O OD2 . ASP 287 287 ? A -6.009 -8.234 -17.758 1.000 1 A 95.276 1 ATOM 2299 N N . GLY 288 288 ? A -6.739 -9.512 -13.237 1.000 1 A 95.305 1 ATOM 2300 C CA . GLY 288 288 ? A -6.285 -10.639 -12.437 1.000 1 A 95.305 1 ATOM 2301 C C . GLY 288 288 ? A -5.293 -11.527 -13.165 1.000 1 A 95.305 1 ATOM 2302 O O . GLY 288 288 ? A -4.922 -12.591 -12.666 1.000 1 A 95.305 1 ATOM 2303 N N . THR 289 289 ? A -4.853 -11.128 -14.301 1.000 1 A 95.445 1 ATOM 2304 C CA . THR 289 289 ? A -4.002 -11.977 -15.127 1.000 1 A 95.445 1 ATOM 2305 C C . THR 289 289 ? A -2.533 -11.789 -14.762 1.000 1 A 95.445 1 ATOM 2306 O O . THR 289 289 ? A -1.700 -12.649 -15.055 1.000 1 A 95.445 1 ATOM 2307 C CB . THR 289 289 ? A -4.204 -11.682 -16.625 1.000 1 A 95.445 1 ATOM 2308 O OG1 . THR 289 289 ? A -3.924 -10.299 -16.875 1.000 1 A 95.445 1 ATOM 2309 C CG2 . THR 289 289 ? A -5.634 -11.986 -17.058 1.000 1 A 95.445 1 ATOM 2310 N N . THR 290 290 ? A -2.231 -10.620 -14.169 1.000 1 A 97.314 1 ATOM 2311 C CA . THR 290 290 ? A -0.840 -10.289 -13.877 1.000 1 A 97.314 1 ATOM 2312 C C . THR 290 290 ? A -0.681 -9.858 -12.421 1.000 1 A 97.314 1 ATOM 2313 O O . THR 290 290 ? A -1.541 -9.164 -11.876 1.000 1 A 97.314 1 ATOM 2314 C CB . THR 290 290 ? A -0.325 -9.173 -14.804 1.000 1 A 97.314 1 ATOM 2315 O OG1 . THR 290 290 ? A -0.532 -9.560 -16.168 1.000 1 A 97.314 1 ATOM 2316 C CG2 . THR 290 290 ? A 1.161 -8.914 -14.581 1.000 1 A 97.314 1 ATOM 2317 N N . LEU 291 291 ? A 0.434 -10.277 -11.835 1.000 1 A 98.428 1 ATOM 2318 C CA . LEU 291 291 ? A 0.806 -9.840 -10.494 1.000 1 A 98.428 1 ATOM 2319 C C . LEU 291 291 ? A 2.167 -9.153 -10.504 1.000 1 A 98.428 1 ATOM 2320 O O . LEU 291 291 ? A 3.147 -9.714 -11.001 1.000 1 A 98.428 1 ATOM 2321 C CB . LEU 291 291 ? A 0.830 -11.029 -9.530 1.000 1 A 98.428 1 ATOM 2322 C CG . LEU 291 291 ? A 1.228 -10.723 -8.085 1.000 1 A 98.428 1 ATOM 2323 C CD1 . LEU 291 291 ? A 0.191 -9.816 -7.430 1.000 1 A 98.428 1 ATOM 2324 C CD2 . LEU 291 291 ? A 1.394 -12.014 -7.291 1.000 1 A 98.428 1 ATOM 2325 N N . ALA 292 292 ? A 2.186 -7.920 -10.030 1.000 1 A 98.648 1 ATOM 2326 C CA . ALA 292 292 ? A 3.445 -7.204 -9.846 1.000 1 A 98.648 1 ATOM 2327 C C . ALA 292 292 ? A 4.016 -7.448 -8.452 1.000 1 A 98.648 1 ATOM 2328 O O . ALA 292 292 ? A 3.318 -7.275 -7.450 1.000 1 A 98.648 1 ATOM 2329 C CB . ALA 292 292 ? A 3.246 -5.709 -10.082 1.000 1 A 98.648 1 ATOM 2330 N N . ILE 293 293 ? A 5.270 -7.864 -8.411 1.000 1 A 98.678 1 ATOM 2331 C CA . ILE 293 293 ? A 5.943 -8.209 -7.164 1.000 1 A 98.678 1 ATOM 2332 C C . ILE 293 293 ? A 7.170 -7.320 -6.977 1.000 1 A 98.678 1 ATOM 2333 O O . ILE 293 293 ? A 8.136 -7.416 -7.738 1.000 1 A 98.678 1 ATOM 2334 C CB . ILE 293 293 ? A 6.351 -9.699 -7.136 1.000 1 A 98.678 1 ATOM 2335 C CG1 . ILE 293 293 ? A 5.131 -10.592 -7.388 1.000 1 A 98.678 1 ATOM 2336 C CG2 . ILE 293 293 ? A 7.021 -10.050 -5.804 1.000 1 A 98.678 1 ATOM 2337 C CD1 . ILE 293 293 ? A 5.478 -11.988 -7.886 1.000 1 A 98.678 1 ATOM 2338 N N . ALA 294 294 ? A 7.077 -6.448 -5.951 1.000 1 A 98.621 1 ATOM 2339 C CA . ALA 294 294 ? A 8.205 -5.574 -5.638 1.000 1 A 98.621 1 ATOM 2340 C C . ALA 294 294 ? A 9.114 -6.207 -4.587 1.000 1 A 98.621 1 ATOM 2341 O O . ALA 294 294 ? A 8.749 -6.290 -3.412 1.000 1 A 98.621 1 ATOM 2342 C CB . ALA 294 294 ? A 7.707 -4.214 -5.156 1.000 1 A 98.621 1 ATOM 2343 N N . SER 295 295 ? A 10.222 -6.682 -5.039 1.000 1 A 98.305 1 ATOM 2344 C CA . SER 295 295 ? A 11.249 -7.228 -4.158 1.000 1 A 98.305 1 ATOM 2345 C C . SER 295 295 ? A 12.260 -6.159 -3.758 1.000 1 A 98.305 1 ATOM 2346 O O . SER 295 295 ? A 13.122 -5.783 -4.556 1.000 1 A 98.305 1 ATOM 2347 C CB . SER 295 295 ? A 11.969 -8.396 -4.834 1.000 1 A 98.305 1 ATOM 2348 O OG . SER 295 295 ? A 12.934 -8.963 -3.964 1.000 1 A 98.305 1 ATOM 2349 N N . SER 296 296 ? A 12.110 -5.654 -2.526 1.000 1 A 97.615 1 ATOM 2350 C CA . SER 296 296 ? A 12.910 -4.542 -2.024 1.000 1 A 97.615 1 ATOM 2351 C C . SER 296 296 ? A 13.143 -4.662 -0.521 1.000 1 A 97.615 1 ATOM 2352 O O . SER 296 296 ? A 12.192 -4.801 0.251 1.000 1 A 97.615 1 ATOM 2353 C CB . SER 296 296 ? A 12.230 -3.208 -2.337 1.000 1 A 97.615 1 ATOM 2354 O OG . SER 296 296 ? A 13.059 -2.121 -1.962 1.000 1 A 97.615 1 ATOM 2355 N N . TYR 297 297 ? A 14.393 -4.618 -0.141 1.000 1 A 94.778 1 ATOM 2356 C CA . TYR 297 297 ? A 14.790 -4.772 1.254 1.000 1 A 94.778 1 ATOM 2357 C C . TYR 297 297 ? A 14.194 -3.666 2.116 1.000 1 A 94.778 1 ATOM 2358 O O . TYR 297 297 ? A 14.276 -2.486 1.767 1.000 1 A 94.778 1 ATOM 2359 C CB . TYR 297 297 ? A 16.316 -4.769 1.382 1.000 1 A 94.778 1 ATOM 2360 C CG . TYR 297 297 ? A 16.808 -5.016 2.787 1.000 1 A 94.778 1 ATOM 2361 C CD1 . TYR 297 297 ? A 17.587 -4.071 3.450 1.000 1 A 94.778 1 ATOM 2362 C CD2 . TYR 297 297 ? A 16.496 -6.196 3.454 1.000 1 A 94.778 1 ATOM 2363 C CE1 . TYR 297 297 ? A 18.044 -4.295 4.745 1.000 1 A 94.778 1 ATOM 2364 C CE2 . TYR 297 297 ? A 16.948 -6.431 4.749 1.000 1 A 94.778 1 ATOM 2365 C CZ . TYR 297 297 ? A 17.720 -5.476 5.385 1.000 1 A 94.778 1 ATOM 2366 O OH . TYR 297 297 ? A 18.170 -5.704 6.666 1.000 1 A 94.778 1 ATOM 2367 N N . MET 298 298 ? A 13.642 -3.962 3.309 1.000 1 A 91.908 1 ATOM 2368 C CA . MET 298 298 ? A 12.888 -3.021 4.133 1.000 1 A 91.908 1 ATOM 2369 C C . MET 298 298 ? A 13.581 -2.795 5.473 1.000 1 A 91.908 1 ATOM 2370 O O . MET 298 298 ? A 12.926 -2.492 6.472 1.000 1 A 91.908 1 ATOM 2371 C CB . MET 298 298 ? A 11.463 -3.527 4.360 1.000 1 A 91.908 1 ATOM 2372 C CG . MET 298 298 ? A 10.630 -3.604 3.091 1.000 1 A 91.908 1 ATOM 2373 S SD . MET 298 298 ? A 8.852 -3.901 3.433 1.000 1 A 91.908 1 ATOM 2374 C CE . MET 298 298 ? A 8.396 -2.304 4.166 1.000 1 A 91.908 1 ATOM 2375 N N . TYR 299 299 ? A 14.816 -3.126 5.597 1.000 1 A 89.101 1 ATOM 2376 C CA . TYR 299 299 ? A 15.691 -2.823 6.724 1.000 1 A 89.101 1 ATOM 2377 C C . TYR 299 299 ? A 15.261 -3.589 7.970 1.000 1 A 89.101 1 ATOM 2378 O O . TYR 299 299 ? A 15.321 -3.061 9.082 1.000 1 A 89.101 1 ATOM 2379 C CB . TYR 299 299 ? A 15.696 -1.319 7.012 1.000 1 A 89.101 1 ATOM 2380 C CG . TYR 299 299 ? A 16.396 -0.501 5.955 1.000 1 A 89.101 1 ATOM 2381 C CD1 . TYR 299 299 ? A 17.769 -0.275 6.017 1.000 1 A 89.101 1 ATOM 2382 C CD2 . TYR 299 299 ? A 15.687 0.049 4.892 1.000 1 A 89.101 1 ATOM 2383 C CE1 . TYR 299 299 ? A 18.419 0.480 5.046 1.000 1 A 89.101 1 ATOM 2384 C CE2 . TYR 299 299 ? A 16.326 0.806 3.915 1.000 1 A 89.101 1 ATOM 2385 C CZ . TYR 299 299 ? A 17.690 1.015 4.001 1.000 1 A 89.101 1 ATOM 2386 O OH . TYR 299 299 ? A 18.328 1.763 3.037 1.000 1 A 89.101 1 ATOM 2387 N N . GLU 300 300 ? A 14.689 -4.798 7.834 1.000 1 A 86.083 1 ATOM 2388 C CA . GLU 300 300 ? A 14.241 -5.612 8.960 1.000 1 A 86.083 1 ATOM 2389 C C . GLU 300 300 ? A 15.421 -6.088 9.802 1.000 1 A 86.083 1 ATOM 2390 O O . GLU 300 300 ? A 15.256 -6.428 10.975 1.000 1 A 86.083 1 ATOM 2391 C CB . GLU 300 300 ? A 13.429 -6.813 8.465 1.000 1 A 86.083 1 ATOM 2392 C CG . GLU 300 300 ? A 14.214 -7.757 7.566 1.000 1 A 86.083 1 ATOM 2393 C CD . GLU 300 300 ? A 14.197 -7.344 6.102 1.000 1 A 86.083 1 ATOM 2394 O OE1 . GLU 300 300 ? A 14.584 -8.161 5.237 1.000 1 A 86.083 1 ATOM 2395 O OE2 . GLU 300 300 ? A 13.795 -6.193 5.820 1.000 1 A 86.083 1 ATOM 2396 N N . MET 301 301 ? A 16.618 -6.218 9.286 1.000 1 A 83.872 1 ATOM 2397 C CA . MET 301 301 ? A 17.822 -6.633 10.001 1.000 1 A 83.872 1 ATOM 2398 C C . MET 301 301 ? A 18.861 -5.517 10.010 1.000 1 A 83.872 1 ATOM 2399 O O . MET 301 301 ? A 20.064 -5.783 10.040 1.000 1 A 83.872 1 ATOM 2400 C CB . MET 301 301 ? A 18.415 -7.894 9.371 1.000 1 A 83.872 1 ATOM 2401 C CG . MET 301 301 ? A 17.496 -9.104 9.440 1.000 1 A 83.872 1 ATOM 2402 S SD . MET 301 301 ? A 18.259 -10.608 8.716 1.000 1 A 83.872 1 ATOM 2403 C CE . MET 301 301 ? A 16.922 -11.805 8.986 1.000 1 A 83.872 1 ATOM 2404 N N . ASP 302 302 ? A 18.400 -4.275 9.931 1.000 1 A 84.012 1 ATOM 2405 C CA . ASP 302 302 ? A 19.283 -3.113 9.938 1.000 1 A 84.012 1 ATOM 2406 C C . ASP 302 302 ? A 20.129 -3.057 8.668 1.000 1 A 84.012 1 ATOM 2407 O O . ASP 302 302 ? A 19.744 -3.609 7.635 1.000 1 A 84.012 1 ATOM 2408 C CB . ASP 302 302 ? A 20.187 -3.133 11.173 1.000 1 A 84.012 1 ATOM 2409 C CG . ASP 302 302 ? A 19.417 -2.990 12.474 1.000 1 A 84.012 1 ATOM 2410 O OD1 . ASP 302 302 ? A 18.444 -2.208 12.524 1.000 1 A 84.012 1 ATOM 2411 O OD2 . ASP 302 302 ? A 19.789 -3.664 13.459 1.000 1 A 84.012 1 ATOM 2412 N N . ASP 303 303 ? A 21.132 -2.327 8.697 1.000 1 A 84.570 1 ATOM 2413 C CA . ASP 303 303 ? A 21.927 -2.043 7.506 1.000 1 A 84.570 1 ATOM 2414 C C . ASP 303 303 ? A 22.821 -3.228 7.148 1.000 1 A 84.570 1 ATOM 2415 O O . ASP 303 303 ? A 23.825 -3.479 7.818 1.000 1 A 84.570 1 ATOM 2416 C CB . ASP 303 303 ? A 22.776 -0.788 7.715 1.000 1 A 84.570 1 ATOM 2417 C CG . ASP 303 303 ? A 21.961 0.493 7.673 1.000 1 A 84.570 1 ATOM 2418 O OD1 . ASP 303 303 ? A 20.863 0.498 7.076 1.000 1 A 84.570 1 ATOM 2419 O OD2 . ASP 303 303 ? A 22.422 1.507 8.240 1.000 1 A 84.570 1 ATOM 2420 N N . THR 304 304 ? A 22.271 -4.141 6.377 1.000 1 A 89.027 1 ATOM 2421 C CA . THR 304 304 ? A 22.989 -5.313 5.887 1.000 1 A 89.027 1 ATOM 2422 C C . THR 304 304 ? A 23.004 -5.339 4.361 1.000 1 A 89.027 1 ATOM 2423 O O . THR 304 304 ? A 22.173 -4.696 3.716 1.000 1 A 89.027 1 ATOM 2424 C CB . THR 304 304 ? A 22.361 -6.615 6.419 1.000 1 A 89.027 1 ATOM 2425 O OG1 . THR 304 304 ? A 22.354 -6.584 7.851 1.000 1 A 89.027 1 ATOM 2426 C CG2 . THR 304 304 ? A 23.148 -7.835 5.952 1.000 1 A 89.027 1 ATOM 2427 N N . GLU 305 305 ? A 24.113 -5.928 3.904 1.000 1 A 87.994 1 ATOM 2428 C CA . GLU 305 305 ? A 24.152 -6.108 2.456 1.000 1 A 87.994 1 ATOM 2429 C C . GLU 305 305 ? A 22.942 -6.898 1.965 1.000 1 A 87.994 1 ATOM 2430 O O . GLU 305 305 ? A 22.571 -7.910 2.563 1.000 1 A 87.994 1 ATOM 2431 C CB . GLU 305 305 ? A 25.445 -6.811 2.036 1.000 1 A 87.994 1 ATOM 2432 C CG . GLU 305 305 ? A 25.681 -6.818 0.533 1.000 1 A 87.994 1 ATOM 2433 C CD . GLU 305 305 ? A 27.017 -7.427 0.138 1.000 1 A 87.994 1 ATOM 2434 O OE1 . GLU 305 305 ? A 27.337 -7.457 -1.072 1.000 1 A 87.994 1 ATOM 2435 O OE2 . GLU 305 305 ? A 27.750 -7.878 1.046 1.000 1 A 87.994 1 ATOM 2436 N N . HIS 306 306 ? A 22.301 -6.385 1.027 1.000 1 A 89.556 1 ATOM 2437 C CA . HIS 306 306 ? A 21.103 -7.037 0.512 1.000 1 A 89.556 1 ATOM 2438 C C . HIS 306 306 ? A 21.069 -7.003 -1.012 1.000 1 A 89.556 1 ATOM 2439 O O . HIS 306 306 ? A 21.743 -6.178 -1.634 1.000 1 A 89.556 1 ATOM 2440 C CB . HIS 306 306 ? A 19.846 -6.375 1.080 1.000 1 A 89.556 1 ATOM 2441 C CG . HIS 306 306 ? A 19.790 -4.898 0.850 1.000 1 A 89.556 1 ATOM 2442 N ND1 . HIS 306 306 ? A 20.367 -3.989 1.711 1.000 1 A 89.556 1 ATOM 2443 C CD2 . HIS 306 306 ? A 19.227 -4.174 -0.146 1.000 1 A 89.556 1 ATOM 2444 C CE1 . HIS 306 306 ? A 20.159 -2.766 1.252 1.000 1 A 89.556 1 ATOM 2445 N NE2 . HIS 306 306 ? A 19.470 -2.851 0.127 1.000 1 A 89.556 1 ATOM 2446 N N . PRO 307 307 ? A 20.431 -8.036 -1.587 1.000 1 A 93.460 1 ATOM 2447 C CA . PRO 307 307 ? A 20.316 -8.075 -3.047 1.000 1 A 93.460 1 ATOM 2448 C C . PRO 307 307 ? A 19.640 -6.831 -3.619 1.000 1 A 93.460 1 ATOM 2449 O O . PRO 307 307 ? A 18.987 -6.086 -2.884 1.000 1 A 93.460 1 ATOM 2450 C CB . PRO 307 307 ? A 19.466 -9.323 -3.300 1.000 1 A 93.460 1 ATOM 2451 C CG . PRO 307 307 ? A 19.646 -10.163 -2.077 1.000 1 A 93.460 1 ATOM 2452 C CD . PRO 307 307 ? A 19.809 -9.252 -0.894 1.000 1 A 93.460 1 ATOM 2453 N N . GLU 308 308 ? A 19.826 -6.598 -4.905 1.000 1 A 94.211 1 ATOM 2454 C CA . GLU 308 308 ? A 19.277 -5.424 -5.578 1.000 1 A 94.211 1 ATOM 2455 C C . GLU 308 308 ? A 17.751 -5.450 -5.575 1.000 1 A 94.211 1 ATOM 2456 O O . GLU 308 308 ? A 17.143 -6.516 -5.686 1.000 1 A 94.211 1 ATOM 2457 C CB . GLU 308 308 ? A 19.799 -5.334 -7.014 1.000 1 A 94.211 1 ATOM 2458 C CG . GLU 308 308 ? A 21.287 -5.028 -7.109 1.000 1 A 94.211 1 ATOM 2459 C CD . GLU 308 308 ? A 21.793 -4.950 -8.541 1.000 1 A 94.211 1 ATOM 2460 O OE1 . GLU 308 308 ? A 23.000 -4.687 -8.745 1.000 1 A 94.211 1 ATOM 2461 O OE2 . GLU 308 308 ? A 20.976 -5.153 -9.466 1.000 1 A 94.211 1 ATOM 2462 N N . ASP 309 309 ? A 17.229 -4.232 -5.449 1.000 1 A 96.398 1 ATOM 2463 C CA . ASP 309 309 ? A 15.782 -4.060 -5.532 1.000 1 A 96.398 1 ATOM 2464 C C . ASP 309 309 ? A 15.285 -4.270 -6.961 1.000 1 A 96.398 1 ATOM 2465 O O . ASP 309 309 ? A 15.995 -3.967 -7.922 1.000 1 A 96.398 1 ATOM 2466 C CB . ASP 309 309 ? A 15.378 -2.671 -5.034 1.000 1 A 96.398 1 ATOM 2467 C CG . ASP 309 309 ? A 15.810 -2.405 -3.602 1.000 1 A 96.398 1 ATOM 2468 O OD1 . ASP 309 309 ? A 15.949 -3.369 -2.819 1.000 1 A 96.398 1 ATOM 2469 O OD2 . ASP 309 309 ? A 16.009 -1.221 -3.254 1.000 1 A 96.398 1 ATOM 2470 N N . GLY 310 310 ? A 14.129 -4.898 -7.075 1.000 1 A 97.664 1 ATOM 2471 C CA . GLY 310 310 ? A 13.556 -5.119 -8.393 1.000 1 A 97.664 1 ATOM 2472 C C . GLY 310 310 ? A 12.059 -5.361 -8.360 1.000 1 A 97.664 1 ATOM 2473 O O . GLY 310 310 ? A 11.493 -5.639 -7.300 1.000 1 A 97.664 1 ATOM 2474 N N . ILE 311 311 ? A 11.474 -5.114 -9.547 1.000 1 A 98.478 1 ATOM 2475 C CA . ILE 311 311 ? A 10.054 -5.400 -9.727 1.000 1 A 98.478 1 ATOM 2476 C C . ILE 311 311 ? A 9.882 -6.566 -10.698 1.000 1 A 98.478 1 ATOM 2477 O O . ILE 311 311 ? A 10.383 -6.523 -11.825 1.000 1 A 98.478 1 ATOM 2478 C CB . ILE 311 311 ? A 9.288 -4.159 -10.238 1.000 1 A 98.478 1 ATOM 2479 C CG1 . ILE 311 311 ? A 9.468 -2.985 -9.269 1.000 1 A 98.478 1 ATOM 2480 C CG2 . ILE 311 311 ? A 7.805 -4.484 -10.435 1.000 1 A 98.478 1 ATOM 2481 C CD1 . ILE 311 311 ? A 9.091 -1.633 -9.859 1.000 1 A 98.478 1 ATOM 2482 N N . PHE 312 312 ? A 9.196 -7.563 -10.246 1.000 1 A 98.327 1 ATOM 2483 C CA . PHE 312 312 ? A 8.949 -8.756 -11.047 1.000 1 A 98.327 1 ATOM 2484 C C . PHE 312 312 ? A 7.488 -8.826 -11.478 1.000 1 A 98.327 1 ATOM 2485 O O . PHE 312 312 ? A 6.587 -8.558 -10.680 1.000 1 A 98.327 1 ATOM 2486 C CB . PHE 312 312 ? A 9.326 -10.018 -10.265 1.000 1 A 98.327 1 ATOM 2487 C CG . PHE 312 312 ? A 10.769 -10.058 -9.838 1.000 1 A 98.327 1 ATOM 2488 C CD1 . PHE 312 312 ? A 11.720 -10.711 -10.612 1.000 1 A 98.327 1 ATOM 2489 C CD2 . PHE 312 312 ? A 11.174 -9.443 -8.660 1.000 1 A 98.327 1 ATOM 2490 C CE1 . PHE 312 312 ? A 13.055 -10.750 -10.219 1.000 1 A 98.327 1 ATOM 2491 C CE2 . PHE 312 312 ? A 12.507 -9.477 -8.261 1.000 1 A 98.327 1 ATOM 2492 C CZ . PHE 312 312 ? A 13.446 -10.132 -9.041 1.000 1 A 98.327 1 ATOM 2493 N N . ILE 313 313 ? A 7.329 -9.113 -12.759 1.000 1 A 98.208 1 ATOM 2494 C CA . ILE 313 313 ? A 5.991 -9.263 -13.322 1.000 1 A 98.208 1 ATOM 2495 C C . ILE 313 313 ? A 5.716 -10.737 -13.612 1.000 1 A 98.208 1 ATOM 2496 O O . ILE 313 313 ? A 6.431 -11.366 -14.396 1.000 1 A 98.208 1 ATOM 2497 C CB . ILE 313 313 ? A 5.821 -8.423 -14.607 1.000 1 A 98.208 1 ATOM 2498 C CG1 . ILE 313 313 ? A 6.188 -6.958 -14.340 1.000 1 A 98.208 1 ATOM 2499 C CG2 . ILE 313 313 ? A 4.392 -8.541 -15.144 1.000 1 A 98.208 1 ATOM 2500 C CD1 . ILE 313 313 ? A 5.338 -6.294 -13.266 1.000 1 A 98.208 1 ATOM 2501 N N . ARG 314 314 ? A 4.648 -11.242 -12.942 1.000 1 A 97.357 1 ATOM 2502 C CA . ARG 314 314 ? A 4.303 -12.650 -13.110 1.000 1 A 97.357 1 ATOM 2503 C C . ARG 314 314 ? A 2.942 -12.804 -13.780 1.000 1 A 97.357 1 ATOM 2504 O O . ARG 314 314 ? A 1.957 -12.203 -13.343 1.000 1 A 97.357 1 ATOM 2505 C CB . ARG 314 314 ? A 4.306 -13.369 -11.759 1.000 1 A 97.357 1 ATOM 2506 C CG . ARG 314 314 ? A 3.947 -14.843 -11.845 1.000 1 A 97.357 1 ATOM 2507 C CD . ARG 314 314 ? A 4.020 -15.522 -10.484 1.000 1 A 97.357 1 ATOM 2508 N NE . ARG 314 314 ? A 3.662 -16.935 -10.567 1.000 1 A 97.357 1 ATOM 2509 C CZ . ARG 314 314 ? A 4.479 -17.901 -10.978 1.000 1 A 97.357 1 ATOM 2510 N NH1 . ARG 314 314 ? A 5.722 -17.623 -11.354 1.000 1 A 97.357 1 ATOM 2511 N NH2 . ARG 314 314 ? A 4.050 -19.154 -11.014 1.000 1 A 97.357 1 ATOM 2512 N N . GLN 315 315 ? A 2.926 -13.561 -14.777 1.000 1 A 96.659 1 ATOM 2513 C CA . GLN 315 315 ? A 1.644 -13.974 -15.339 1.000 1 A 96.659 1 ATOM 2514 C C . GLN 315 315 ? A 1.035 -15.119 -14.535 1.000 1 A 96.659 1 ATOM 2515 O O . GLN 315 315 ? A 1.579 -16.226 -14.511 1.000 1 A 96.659 1 ATOM 2516 C CB . GLN 315 315 ? A 1.807 -14.388 -16.802 1.000 1 A 96.659 1 ATOM 2517 C CG . GLN 315 315 ? A 2.304 -13.268 -17.707 1.000 1 A 96.659 1 ATOM 2518 C CD . GLN 315 315 ? A 1.275 -12.171 -17.902 1.000 1 A 96.659 1 ATOM 2519 O OE1 . GLN 315 315 ? A 0.068 -12.408 -17.796 1.000 1 A 96.659 1 ATOM 2520 N NE2 . GLN 315 315 ? A 1.745 -10.962 -18.190 1.000 1 A 96.659 1 ATOM 2521 N N . VAL 316 316 ? A -0.115 -14.801 -13.911 1.000 1 A 94.638 1 ATOM 2522 C CA . VAL 316 316 ? A -0.671 -15.781 -12.984 1.000 1 A 94.638 1 ATOM 2523 C C . VAL 316 316 ? A -1.725 -16.626 -13.696 1.000 1 A 94.638 1 ATOM 2524 O O . VAL 316 316 ? A -2.410 -16.142 -14.601 1.000 1 A 94.638 1 ATOM 2525 C CB . VAL 316 316 ? A -1.286 -15.101 -11.740 1.000 1 A 94.638 1 ATOM 2526 C CG1 . VAL 316 316 ? A -0.196 -14.464 -10.879 1.000 1 A 94.638 1 ATOM 2527 C CG2 . VAL 316 316 ? A -2.318 -14.056 -12.159 1.000 1 A 94.638 1 ATOM 2528 N N . THR 317 317 ? A -1.766 -17.908 -13.357 1.000 1 A 94.032 1 ATOM 2529 C CA . THR 317 317 ? A -2.729 -18.838 -13.935 1.000 1 A 94.032 1 ATOM 2530 C C . THR 317 317 ? A -3.845 -19.149 -12.942 1.000 1 A 94.032 1 ATOM 2531 O O . THR 317 317 ? A -3.695 -18.921 -11.740 1.000 1 A 94.032 1 ATOM 2532 C CB . THR 317 317 ? A -2.047 -20.148 -14.372 1.000 1 A 94.032 1 ATOM 2533 O OG1 . THR 317 317 ? A -1.551 -20.831 -13.214 1.000 1 A 94.032 1 ATOM 2534 C CG2 . THR 317 317 ? A -0.886 -19.873 -15.322 1.000 1 A 94.032 1 ATOM 2535 N N . ASP 318 318 ? A -4.919 -19.669 -13.434 1.000 1 A 93.351 1 ATOM 2536 C CA . ASP 318 318 ? A -6.055 -20.063 -12.606 1.000 1 A 93.351 1 ATOM 2537 C C . ASP 318 318 ? A -5.664 -21.167 -11.627 1.000 1 A 93.351 1 ATOM 2538 O O . ASP 318 318 ? A -6.188 -21.230 -10.513 1.000 1 A 93.351 1 ATOM 2539 C CB . ASP 318 318 ? A -7.222 -20.525 -13.482 1.000 1 A 93.351 1 ATOM 2540 C CG . ASP 318 318 ? A -7.993 -19.372 -14.099 1.000 1 A 93.351 1 ATOM 2541 O OD1 . ASP 318 318 ? A -7.718 -18.202 -13.756 1.000 1 A 93.351 1 ATOM 2542 O OD2 . ASP 318 318 ? A -8.886 -19.636 -14.932 1.000 1 A 93.351 1 ATOM 2543 N N . ALA 319 319 ? A -4.782 -21.987 -12.027 1.000 1 A 92.919 1 ATOM 2544 C CA . ALA 319 319 ? A -4.335 -23.074 -11.160 1.000 1 A 92.919 1 ATOM 2545 C C . ALA 319 319 ? A -3.711 -22.530 -9.877 1.000 1 A 92.919 1 ATOM 2546 O O . ALA 319 319 ? A -3.809 -23.155 -8.819 1.000 1 A 92.919 1 ATOM 2547 C CB . ALA 319 319 ? A -3.338 -23.966 -11.895 1.000 1 A 92.919 1 ATOM 2548 N N . GLU 320 320 ? A -3.152 -21.352 -9.963 1.000 1 A 93.969 1 ATOM 2549 C CA . GLU 320 320 ? A -2.446 -20.764 -8.828 1.000 1 A 93.969 1 ATOM 2550 C C . GLU 320 320 ? A -3.382 -19.910 -7.978 1.000 1 A 93.969 1 ATOM 2551 O O . GLU 320 320 ? A -3.177 -19.768 -6.771 1.000 1 A 93.969 1 ATOM 2552 C CB . GLU 320 320 ? A -1.259 -19.926 -9.309 1.000 1 A 93.969 1 ATOM 2553 C CG . GLU 320 320 ? A -0.167 -20.739 -9.987 1.000 1 A 93.969 1 ATOM 2554 C CD . GLU 320 320 ? A 0.858 -19.881 -10.712 1.000 1 A 93.969 1 ATOM 2555 O OE1 . GLU 320 320 ? A 2.022 -20.318 -10.858 1.000 1 A 93.969 1 ATOM 2556 O OE2 . GLU 320 320 ? A 0.494 -18.762 -11.136 1.000 1 A 93.969 1 ATOM 2557 N N . THR 321 321 ? A -4.494 -19.370 -8.598 1.000 1 A 95.222 1 ATOM 2558 C CA . THR 321 321 ? A -5.199 -18.296 -7.906 1.000 1 A 95.222 1 ATOM 2559 C C . THR 321 321 ? A -6.645 -18.694 -7.621 1.000 1 A 95.222 1 ATOM 2560 O O . THR 321 321 ? A -7.273 -18.158 -6.707 1.000 1 A 95.222 1 ATOM 2561 C CB . THR 321 321 ? A -5.175 -16.993 -8.726 1.000 1 A 95.222 1 ATOM 2562 O OG1 . THR 321 321 ? A -5.672 -17.256 -10.044 1.000 1 A 95.222 1 ATOM 2563 C CG2 . THR 321 321 ? A -3.759 -16.436 -8.831 1.000 1 A 95.222 1 ATOM 2564 N N . LYS 322 322 ? A -7.168 -19.586 -8.375 1.000 1 A 94.857 1 ATOM 2565 C CA . LYS 322 322 ? A -8.576 -19.955 -8.262 1.000 1 A 94.857 1 ATOM 2566 C C . LYS 322 322 ? A -8.802 -20.912 -7.095 1.000 1 A 94.857 1 ATOM 2567 O O . LYS 322 322 ? A -8.031 -21.853 -6.899 1.000 1 A 94.857 1 ATOM 2568 C CB . LYS 322 322 ? A -9.070 -20.590 -9.563 1.000 1 A 94.857 1 ATOM 2569 C CG . LYS 322 322 ? A -10.576 -20.799 -9.616 1.000 1 A 94.857 1 ATOM 2570 C CD . LYS 322 322 ? A -11.014 -21.374 -10.958 1.000 1 A 94.857 1 ATOM 2571 C CE . LYS 322 322 ? A -12.517 -21.613 -11.001 1.000 1 A 94.857 1 ATOM 2572 N NZ . LYS 322 322 ? A -12.952 -22.163 -12.320 1.000 1 A 94.857 1 ATOM 2573 N N . PRO 323 323 ? A -9.877 -20.629 -6.317 1.000 1 A 93.528 1 ATOM 2574 C CA . PRO 323 323 ? A -10.207 -21.525 -5.206 1.000 1 A 93.528 1 ATOM 2575 C C . PRO 323 323 ? A -10.465 -22.959 -5.663 1.000 1 A 93.528 1 ATOM 2576 O O . PRO 323 323 ? A -11.013 -23.177 -6.746 1.000 1 A 93.528 1 ATOM 2577 C CB . PRO 323 323 ? A -11.476 -20.904 -4.617 1.000 1 A 93.528 1 ATOM 2578 C CG . PRO 323 323 ? A -11.410 -19.462 -5.004 1.000 1 A 93.528 1 ATOM 2579 C CD . PRO 323 323 ? A -10.745 -19.358 -6.347 1.000 1 A 93.528 1 ATOM 2580 N N . LYS 324 324 ? A -9.961 -23.880 -4.924 1.000 1 A 89.003 1 ATOM 2581 C CA . LYS 324 324 ? A -10.172 -25.294 -5.220 1.000 1 A 89.003 1 ATOM 2582 C C . LYS 324 324 ? A -11.473 -25.797 -4.602 1.000 1 A 89.003 1 ATOM 2583 O O . LYS 324 324 ? A -11.916 -25.285 -3.572 1.000 1 A 89.003 1 ATOM 2584 C CB . LYS 324 324 ? A -8.994 -26.129 -4.714 1.000 1 A 89.003 1 ATOM 2585 C CG . LYS 324 324 ? A -7.661 -25.769 -5.352 1.000 1 A 89.003 1 ATOM 2586 C CD . LYS 324 324 ? A -6.541 -26.676 -4.858 1.000 1 A 89.003 1 ATOM 2587 C CE . LYS 324 324 ? A -5.208 -26.322 -5.502 1.000 1 A 89.003 1 ATOM 2588 N NZ . LYS 324 324 ? A -4.103 -27.196 -5.006 1.000 1 A 89.003 1 ATOM 2589 N N . SER 325 325 ? A -12.348 -26.437 -5.416 1.000 1 A 80.474 1 ATOM 2590 C CA . SER 325 325 ? A -13.590 -27.030 -4.930 1.000 1 A 80.474 1 ATOM 2591 C C . SER 325 325 ? A -13.376 -27.749 -3.602 1.000 1 A 80.474 1 ATOM 2592 O O . SER 325 325 ? A -12.345 -28.393 -3.398 1.000 1 A 80.474 1 ATOM 2593 C CB . SER 325 325 ? A -14.159 -28.004 -5.961 1.000 1 A 80.474 1 ATOM 2594 O OG . SER 325 325 ? A -13.902 -27.549 -7.279 1.000 1 A 80.474 1 ATOM 2595 N N . PRO 326 326 ? A -14.224 -27.357 -2.582 1.000 1 A 64.893 1 ATOM 2596 C CA . PRO 326 326 ? A -14.155 -28.056 -1.296 1.000 1 A 64.893 1 ATOM 2597 C C . PRO 326 326 ? A -14.331 -29.566 -1.435 1.000 1 A 64.893 1 ATOM 2598 O O . PRO 326 326 ? A -15.069 -30.028 -2.309 1.000 1 A 64.893 1 ATOM 2599 C CB . PRO 326 326 ? A -15.309 -27.443 -0.499 1.000 1 A 64.893 1 ATOM 2600 C CG . PRO 326 326 ? A -16.009 -26.546 -1.468 1.000 1 A 64.893 1 ATOM 2601 C CD . PRO 326 326 ? A -15.249 -26.558 -2.764 1.000 1 A 64.893 1 ATOM 2602 N N . CYS 327 327 ? A -13.237 -30.421 -1.352 1.000 1 A 56.800 1 ATOM 2603 C CA . CYS 327 327 ? A -13.456 -31.862 -1.293 1.000 1 A 56.800 1 ATOM 2604 C C . CYS 327 327 ? A -14.766 -32.186 -0.585 1.000 1 A 56.800 1 ATOM 2605 O O . CYS 327 327 ? A -15.023 -31.689 0.512 1.000 1 A 56.800 1 ATOM 2606 C CB . CYS 327 327 ? A -12.295 -32.552 -0.576 1.000 1 A 56.800 1 ATOM 2607 S SG . CYS 327 327 ? A -10.843 -32.805 -1.620 1.000 1 A 56.800 1 ATOM 2608 N N . THR 328 328 ? A -15.997 -32.029 -1.124 1.000 1 A 41.307 1 ATOM 2609 C CA . THR 328 328 ? A -17.168 -32.638 -0.502 1.000 1 A 41.307 1 ATOM 2610 C C . THR 328 328 ? A -16.875 -34.077 -0.090 1.000 1 A 41.307 1 ATOM 2611 O O . THR 328 328 ? A -16.141 -34.789 -0.779 1.000 1 A 41.307 1 ATOM 2612 C CB . THR 328 328 ? A -18.382 -32.609 -1.449 1.000 1 A 41.307 1 ATOM 2613 O OG1 . THR 328 328 ? A -17.951 -32.930 -2.778 1.000 1 A 41.307 1 ATOM 2614 C CG2 . THR 328 328 ? A -19.040 -31.234 -1.459 1.000 1 A 41.307 1 ATOM 2615 N N . HIS 1 481 ? B 44.250 12.825 -37.869 1.000 2 B 30.790 1 ATOM 2616 C CA . HIS 1 481 ? B 45.630 13.210 -37.595 1.000 2 B 30.790 1 ATOM 2617 C C . HIS 1 481 ? B 45.891 13.294 -36.095 1.000 2 B 30.790 1 ATOM 2618 O O . HIS 1 481 ? B 45.302 14.128 -35.404 1.000 2 B 30.790 1 ATOM 2619 C CB . HIS 1 481 ? B 45.955 14.549 -38.260 1.000 2 B 30.790 1 ATOM 2620 C CG . HIS 1 481 ? B 46.531 14.412 -39.634 1.000 2 B 30.790 1 ATOM 2621 N ND1 . HIS 1 481 ? B 47.733 13.783 -39.877 1.000 2 B 30.790 1 ATOM 2622 C CD2 . HIS 1 481 ? B 46.066 14.822 -40.837 1.000 2 B 30.790 1 ATOM 2623 C CE1 . HIS 1 481 ? B 47.983 13.813 -41.176 1.000 2 B 30.790 1 ATOM 2624 N NE2 . HIS 1 481 ? B 46.987 14.438 -41.781 1.000 2 B 30.790 1 ATOM 2625 N N . ASP 2 482 ? B 46.402 12.227 -35.512 1.000 2 B 31.078 1 ATOM 2626 C CA . ASP 2 482 ? B 47.647 12.093 -34.762 1.000 2 B 31.078 1 ATOM 2627 C C . ASP 2 482 ? B 47.372 11.739 -33.302 1.000 2 B 31.078 1 ATOM 2628 O O . ASP 2 482 ? B 46.663 12.466 -32.604 1.000 2 B 31.078 1 ATOM 2629 C CB . ASP 2 482 ? B 48.465 13.384 -34.845 1.000 2 B 31.078 1 ATOM 2630 C CG . ASP 2 482 ? B 49.461 13.382 -35.991 1.000 2 B 31.078 1 ATOM 2631 O OD1 . ASP 2 482 ? B 49.696 12.312 -36.593 1.000 2 B 31.078 1 ATOM 2632 O OD2 . ASP 2 482 ? B 50.017 14.460 -36.294 1.000 2 B 31.078 1 ATOM 2633 N N . SER 3 483 ? B 47.573 10.526 -32.891 1.000 2 B 28.580 1 ATOM 2634 C CA . SER 3 483 ? B 48.676 9.878 -32.188 1.000 2 B 28.580 1 ATOM 2635 C C . SER 3 483 ? B 48.868 10.470 -30.796 1.000 2 B 28.580 1 ATOM 2636 O O . SER 3 483 ? B 48.871 11.692 -30.630 1.000 2 B 28.580 1 ATOM 2637 C CB . SER 3 483 ? B 49.972 10.007 -32.989 1.000 2 B 28.580 1 ATOM 2638 O OG . SER 3 483 ? B 50.406 11.356 -33.031 1.000 2 B 28.580 1 ATOM 2639 N N . ASN 4 484 ? B 48.611 9.692 -29.738 1.000 2 B 31.644 1 ATOM 2640 C CA . ASN 4 484 ? B 49.687 9.288 -28.840 1.000 2 B 31.644 1 ATOM 2641 C C . ASN 4 484 ? B 49.281 9.433 -27.376 1.000 2 B 31.644 1 ATOM 2642 O O . ASN 4 484 ? B 48.882 10.515 -26.943 1.000 2 B 31.644 1 ATOM 2643 C CB . ASN 4 484 ? B 50.955 10.098 -29.122 1.000 2 B 31.644 1 ATOM 2644 C CG . ASN 4 484 ? B 51.866 9.424 -30.129 1.000 2 B 31.644 1 ATOM 2645 O OD1 . ASN 4 484 ? B 51.698 8.243 -30.444 1.000 2 B 31.644 1 ATOM 2646 N ND2 . ASN 4 484 ? B 52.838 10.170 -30.641 1.000 2 B 31.644 1 ATOM 2647 N N . TYR 5 485 ? B 48.889 8.396 -26.719 1.000 2 B 30.956 1 ATOM 2648 C CA . TYR 5 485 ? B 49.427 7.636 -25.596 1.000 2 B 30.956 1 ATOM 2649 C C . TYR 5 485 ? B 50.473 8.447 -24.840 1.000 2 B 30.956 1 ATOM 2650 O O . TYR 5 485 ? B 51.428 8.949 -25.437 1.000 2 B 30.956 1 ATOM 2651 C CB . TYR 5 485 ? B 50.040 6.319 -26.083 1.000 2 B 30.956 1 ATOM 2652 C CG . TYR 5 485 ? B 49.220 5.102 -25.731 1.000 2 B 30.956 1 ATOM 2653 C CD1 . TYR 5 485 ? B 49.470 4.382 -24.566 1.000 2 B 30.956 1 ATOM 2654 C CD2 . TYR 5 485 ? B 48.193 4.669 -26.564 1.000 2 B 30.956 1 ATOM 2655 C CE1 . TYR 5 485 ? B 48.719 3.258 -24.238 1.000 2 B 30.956 1 ATOM 2656 C CE2 . TYR 5 485 ? B 47.435 3.546 -26.247 1.000 2 B 30.956 1 ATOM 2657 C CZ . TYR 5 485 ? B 47.704 2.849 -25.084 1.000 2 B 30.956 1 ATOM 2658 O OH . TYR 5 485 ? B 46.957 1.737 -24.765 1.000 2 B 30.956 1 ATOM 2659 N N . ALA 6 486 ? B 50.148 9.109 -23.748 1.000 2 B 37.775 1 ATOM 2660 C CA . ALA 6 486 ? B 51.008 9.413 -22.608 1.000 2 B 37.775 1 ATOM 2661 C C . ALA 6 486 ? B 50.376 8.940 -21.302 1.000 2 B 37.775 1 ATOM 2662 O O . ALA 6 486 ? B 49.201 9.210 -21.041 1.000 2 B 37.775 1 ATOM 2663 C CB . ALA 6 486 ? B 51.298 10.911 -22.543 1.000 2 B 37.775 1 ATOM 2664 N N . LYS 7 487 ? B 50.796 7.759 -20.760 1.000 2 B 29.045 1 ATOM 2665 C CA . LYS 7 487 ? B 51.676 7.424 -19.644 1.000 2 B 29.045 1 ATOM 2666 C C . LYS 7 487 ? B 51.341 8.257 -18.410 1.000 2 B 29.045 1 ATOM 2667 O O . LYS 7 487 ? B 51.300 9.487 -18.477 1.000 2 B 29.045 1 ATOM 2668 C CB . LYS 7 487 ? B 53.141 7.632 -20.035 1.000 2 B 29.045 1 ATOM 2669 C CG . LYS 7 487 ? B 54.032 6.430 -19.757 1.000 2 B 29.045 1 ATOM 2670 C CD . LYS 7 487 ? B 55.470 6.689 -20.188 1.000 2 B 29.045 1 ATOM 2671 C CE . LYS 7 487 ? B 56.350 5.467 -19.964 1.000 2 B 29.045 1 ATOM 2672 N NZ . LYS 7 487 ? B 57.750 5.701 -20.427 1.000 2 B 29.045 1 ATOM 2673 N N . MET 8 488 ? B 50.760 7.680 -17.358 1.000 2 B 23.261 1 ATOM 2674 C CA . MET 8 488 ? B 51.280 7.388 -16.025 1.000 2 B 23.261 1 ATOM 2675 C C . MET 8 488 ? B 50.847 8.456 -15.026 1.000 2 B 23.261 1 ATOM 2676 O O . MET 8 488 ? B 51.000 9.651 -15.283 1.000 2 B 23.261 1 ATOM 2677 C CB . MET 8 488 ? B 52.806 7.287 -16.053 1.000 2 B 23.261 1 ATOM 2678 C CG . MET 8 488 ? B 53.327 5.861 -15.988 1.000 2 B 23.261 1 ATOM 2679 S SD . MET 8 488 ? B 55.128 5.785 -15.641 1.000 2 B 23.261 1 ATOM 2680 C CE . MET 8 488 ? B 55.454 4.041 -16.022 1.000 2 B 23.261 1 ATOM 2681 N N . TYR 9 489 ? B 50.118 8.043 -13.996 1.000 2 B 27.880 1 ATOM 2682 C CA . TYR 9 489 ? B 50.378 8.044 -12.560 1.000 2 B 27.880 1 ATOM 2683 C C . TYR 9 489 ? B 49.075 8.061 -11.770 1.000 2 B 27.880 1 ATOM 2684 O O . TYR 9 489 ? B 48.181 8.863 -12.051 1.000 2 B 27.880 1 ATOM 2685 C CB . TYR 9 489 ? B 51.240 9.249 -12.171 1.000 2 B 27.880 1 ATOM 2686 C CG . TYR 9 489 ? B 52.720 9.024 -12.365 1.000 2 B 27.880 1 ATOM 2687 C CD1 . TYR 9 489 ? B 53.472 8.347 -11.407 1.000 2 B 27.880 1 ATOM 2688 C CD2 . TYR 9 489 ? B 53.369 9.487 -13.504 1.000 2 B 27.880 1 ATOM 2689 C CE1 . TYR 9 489 ? B 54.837 8.139 -11.580 1.000 2 B 27.880 1 ATOM 2690 C CE2 . TYR 9 489 ? B 54.733 9.285 -13.687 1.000 2 B 27.880 1 ATOM 2691 C CZ . TYR 9 489 ? B 55.457 8.610 -12.722 1.000 2 B 27.880 1 ATOM 2692 O OH . TYR 9 489 ? B 56.808 8.407 -12.898 1.000 2 B 27.880 1 ATOM 2693 N N . CYS 10 490 ? B 48.770 6.955 -11.113 1.000 2 B 21.250 1 ATOM 2694 C CA . CYS 10 490 ? B 48.212 6.420 -9.876 1.000 2 B 21.250 1 ATOM 2695 C C . CYS 10 490 ? B 48.657 7.246 -8.675 1.000 2 B 21.250 1 ATOM 2696 O O . CYS 10 490 ? B 49.855 7.428 -8.451 1.000 2 B 21.250 1 ATOM 2697 C CB . CYS 10 490 ? B 48.629 4.962 -9.686 1.000 2 B 21.250 1 ATOM 2698 S SG . CYS 10 490 ? B 47.238 3.813 -9.597 1.000 2 B 21.250 1 ATOM 2699 N N . ASN 11 491 ? B 47.789 8.160 -8.225 1.000 2 B 30.328 1 ATOM 2700 C CA . ASN 11 491 ? B 47.572 8.584 -6.846 1.000 2 B 30.328 1 ATOM 2701 C C . ASN 11 491 ? B 46.487 7.752 -6.167 1.000 2 B 30.328 1 ATOM 2702 O O . ASN 11 491 ? B 45.369 7.650 -6.675 1.000 2 B 30.328 1 ATOM 2703 C CB . ASN 11 491 ? B 47.213 10.070 -6.791 1.000 2 B 30.328 1 ATOM 2704 C CG . ASN 11 491 ? B 47.841 10.780 -5.608 1.000 2 B 30.328 1 ATOM 2705 O OD1 . ASN 11 491 ? B 48.513 10.158 -4.781 1.000 2 B 30.328 1 ATOM 2706 N ND2 . ASN 11 491 ? B 47.628 12.087 -5.519 1.000 2 B 30.328 1 ATOM 2707 N N . PRO 12 492 ? B 46.783 6.857 -5.096 1.000 2 B 40.944 1 ATOM 2708 C CA . PRO 12 492 ? B 45.773 6.203 -4.260 1.000 2 B 40.944 1 ATOM 2709 C C . PRO 12 492 ? B 45.526 6.941 -2.947 1.000 2 B 40.944 1 ATOM 2710 O O . PRO 12 492 ? B 46.458 7.497 -2.361 1.000 2 B 40.944 1 ATOM 2711 C CB . PRO 12 492 ? B 46.372 4.817 -4.004 1.000 2 B 40.944 1 ATOM 2712 C CG . PRO 12 492 ? B 47.849 5.041 -3.964 1.000 2 B 40.944 1 ATOM 2713 C CD . PRO 12 492 ? B 48.122 6.483 -4.280 1.000 2 B 40.944 1 ATOM 2714 N N . ASP 13 493 ? B 44.719 8.004 -3.008 1.000 2 B 30.886 1 ATOM 2715 C CA . ASP 13 493 ? B 44.005 8.443 -1.814 1.000 2 B 30.886 1 ATOM 2716 C C . ASP 13 493 ? B 43.340 9.799 -2.039 1.000 2 B 30.886 1 ATOM 2717 O O . ASP 13 493 ? B 44.022 10.819 -2.156 1.000 2 B 30.886 1 ATOM 2718 C CB . ASP 13 493 ? B 44.954 8.515 -0.616 1.000 2 B 30.886 1 ATOM 2719 C CG . ASP 13 493 ? B 45.123 7.180 0.088 1.000 2 B 30.886 1 ATOM 2720 O OD1 . ASP 13 493 ? B 44.265 6.287 -0.083 1.000 2 B 30.886 1 ATOM 2721 O OD2 . ASP 13 493 ? B 46.122 7.020 0.822 1.000 2 B 30.886 1 ATOM 2722 N N . ALA 14 494 ? B 42.324 9.934 -2.898 1.000 2 B 31.077 1 ATOM 2723 C CA . ALA 14 494 ? B 41.363 11.009 -2.666 1.000 2 B 31.077 1 ATOM 2724 C C . ALA 14 494 ? B 40.300 11.042 -3.760 1.000 2 B 31.077 1 ATOM 2725 O O . ALA 14 494 ? B 40.621 11.190 -4.942 1.000 2 B 31.077 1 ATOM 2726 C CB . ALA 14 494 ? B 42.080 12.355 -2.584 1.000 2 B 31.077 1 ATOM 2727 N N . MET 15 495 ? B 39.313 10.112 -3.888 1.000 2 B 29.233 1 ATOM 2728 C CA . MET 15 495 ? B 38.024 10.661 -4.298 1.000 2 B 29.233 1 ATOM 2729 C C . MET 15 495 ? B 36.935 9.594 -4.239 1.000 2 B 29.233 1 ATOM 2730 O O . MET 15 495 ? B 37.004 8.592 -4.952 1.000 2 B 29.233 1 ATOM 2731 C CB . MET 15 495 ? B 38.111 11.242 -5.710 1.000 2 B 29.233 1 ATOM 2732 C CG . MET 15 495 ? B 38.346 12.743 -5.742 1.000 2 B 29.233 1 ATOM 2733 S SD . MET 15 495 ? B 36.820 13.687 -6.125 1.000 2 B 29.233 1 ATOM 2734 C CE . MET 15 495 ? B 36.965 13.812 -7.929 1.000 2 B 29.233 1 ATOM 2735 N N . SER 16 496 ? B 36.631 8.990 -3.097 1.000 2 B 32.808 1 ATOM 2736 C CA . SER 16 496 ? B 35.347 8.335 -2.868 1.000 2 B 32.808 1 ATOM 2737 C C . SER 16 496 ? B 34.186 9.255 -3.228 1.000 2 B 32.808 1 ATOM 2738 O O . SER 16 496 ? B 34.191 10.437 -2.875 1.000 2 B 32.808 1 ATOM 2739 C CB . SER 16 496 ? B 35.224 7.891 -1.410 1.000 2 B 32.808 1 ATOM 2740 O OG . SER 16 496 ? B 35.229 9.011 -0.541 1.000 2 B 32.808 1 ATOM 2741 N N . SER 17 497 ? B 33.764 9.376 -4.501 1.000 2 B 32.453 1 ATOM 2742 C CA . SER 17 497 ? B 32.501 9.493 -5.223 1.000 2 B 32.453 1 ATOM 2743 C C . SER 17 497 ? B 31.313 9.439 -4.269 1.000 2 B 32.453 1 ATOM 2744 O O . SER 17 497 ? B 31.139 8.461 -3.540 1.000 2 B 32.453 1 ATOM 2745 C CB . SER 17 497 ? B 32.376 8.385 -6.269 1.000 2 B 32.453 1 ATOM 2746 O OG . SER 17 497 ? B 32.596 7.113 -5.683 1.000 2 B 32.453 1 ATOM 2747 N N . LEU 18 498 ? B 31.205 10.426 -3.415 1.000 2 B 27.153 1 ATOM 2748 C CA . LEU 18 498 ? B 30.073 11.039 -2.728 1.000 2 B 27.153 1 ATOM 2749 C C . LEU 18 498 ? B 28.754 10.588 -3.346 1.000 2 B 27.153 1 ATOM 2750 O O . LEU 18 498 ? B 28.510 10.814 -4.533 1.000 2 B 27.153 1 ATOM 2751 C CB . LEU 18 498 ? B 30.179 12.565 -2.777 1.000 2 B 27.153 1 ATOM 2752 C CG . LEU 18 498 ? B 29.311 13.337 -1.783 1.000 2 B 27.153 1 ATOM 2753 C CD1 . LEU 18 498 ? B 29.920 13.273 -0.386 1.000 2 B 27.153 1 ATOM 2754 C CD2 . LEU 18 498 ? B 29.141 14.785 -2.231 1.000 2 B 27.153 1 ATOM 2755 N N . THR 19 499 ? B 28.350 9.285 -3.314 1.000 2 B 32.448 1 ATOM 2756 C CA . THR 19 499 ? B 26.965 8.829 -3.351 1.000 2 B 32.448 1 ATOM 2757 C C . THR 19 499 ? B 26.112 9.608 -2.354 1.000 2 B 32.448 1 ATOM 2758 O O . THR 19 499 ? B 26.466 9.717 -1.178 1.000 2 B 32.448 1 ATOM 2759 C CB . THR 19 499 ? B 26.864 7.322 -3.050 1.000 2 B 32.448 1 ATOM 2760 O OG1 . THR 19 499 ? B 28.064 6.672 -3.488 1.000 2 B 32.448 1 ATOM 2761 C CG2 . THR 19 499 ? B 25.671 6.697 -3.763 1.000 2 B 32.448 1 ATOM 2762 N N . GLU 20 500 ? B 25.873 10.866 -2.548 1.000 2 B 26.630 1 ATOM 2763 C CA . GLU 20 500 ? B 24.936 11.757 -1.871 1.000 2 B 26.630 1 ATOM 2764 C C . GLU 20 500 ? B 23.740 10.984 -1.322 1.000 2 B 26.630 1 ATOM 2765 O O . GLU 20 500 ? B 23.010 10.340 -2.078 1.000 2 B 26.630 1 ATOM 2766 C CB . GLU 20 500 ? B 24.459 12.859 -2.821 1.000 2 B 26.630 1 ATOM 2767 C CG . GLU 20 500 ? B 24.276 14.212 -2.150 1.000 2 B 26.630 1 ATOM 2768 C CD . GLU 20 500 ? B 23.885 15.315 -3.121 1.000 2 B 26.630 1 ATOM 2769 O OE1 . GLU 20 500 ? B 23.756 16.484 -2.691 1.000 2 B 26.630 1 ATOM 2770 O OE2 . GLU 20 500 ? B 23.706 15.008 -4.320 1.000 2 B 26.630 1 ATOM 2771 N N . LYS 21 501 ? B 23.840 10.061 -0.405 1.000 2 B 33.892 1 ATOM 2772 C CA . LYS 21 501 ? B 22.906 9.517 0.576 1.000 2 B 33.892 1 ATOM 2773 C C . LYS 21 501 ? B 21.987 10.606 1.123 1.000 2 B 33.892 1 ATOM 2774 O O . LYS 21 501 ? B 22.438 11.713 1.423 1.000 2 B 33.892 1 ATOM 2775 C CB . LYS 21 501 ? B 23.663 8.846 1.723 1.000 2 B 33.892 1 ATOM 2776 C CG . LYS 21 501 ? B 24.079 7.411 1.434 1.000 2 B 33.892 1 ATOM 2777 C CD . LYS 21 501 ? B 24.742 6.766 2.644 1.000 2 B 33.892 1 ATOM 2778 C CE . LYS 21 501 ? B 25.235 5.360 2.331 1.000 2 B 33.892 1 ATOM 2779 N NZ . LYS 21 501 ? B 25.894 4.727 3.512 1.000 2 B 33.892 1 ATOM 2780 N N . THR 22 502 ? B 20.919 10.999 0.445 1.000 2 B 29.539 1 ATOM 2781 C CA . THR 22 502 ? B 19.885 11.820 1.064 1.000 2 B 29.539 1 ATOM 2782 C C . THR 22 502 ? B 19.827 11.574 2.569 1.000 2 B 29.539 1 ATOM 2783 O O . THR 22 502 ? B 19.690 10.431 3.011 1.000 2 B 29.539 1 ATOM 2784 C CB . THR 22 502 ? B 18.504 11.542 0.442 1.000 2 B 29.539 1 ATOM 2785 O OG1 . THR 22 502 ? B 18.648 11.384 -0.975 1.000 2 B 29.539 1 ATOM 2786 C CG2 . THR 22 502 ? B 17.535 12.686 0.719 1.000 2 B 29.539 1 ATOM 2787 N N . ILE 23 503 ? B 20.685 12.121 3.380 1.000 2 B 28.598 1 ATOM 2788 C CA . ILE 23 503 ? B 20.687 12.159 4.839 1.000 2 B 28.598 1 ATOM 2789 C C . ILE 23 503 ? B 19.613 13.127 5.331 1.000 2 B 28.598 1 ATOM 2790 O O . ILE 23 503 ? B 19.576 14.287 4.913 1.000 2 B 28.598 1 ATOM 2791 C CB . ILE 23 503 ? B 22.071 12.567 5.392 1.000 2 B 28.598 1 ATOM 2792 C CG1 . ILE 23 503 ? B 23.149 11.593 4.905 1.000 2 B 28.598 1 ATOM 2793 C CG2 . ILE 23 503 ? B 22.042 12.633 6.922 1.000 2 B 28.598 1 ATOM 2794 C CD1 . ILE 23 503 ? B 24.571 12.032 5.226 1.000 2 B 28.598 1 ATOM 2795 N N . TYR 24 504 ? B 18.386 12.791 5.419 1.000 2 B 34.905 1 ATOM 2796 C CA . TYR 24 504 ? B 17.307 13.452 6.146 1.000 2 B 34.905 1 ATOM 2797 C C . TYR 24 504 ? B 17.538 13.378 7.650 1.000 2 B 34.905 1 ATOM 2798 O O . TYR 24 504 ? B 17.846 12.310 8.186 1.000 2 B 34.905 1 ATOM 2799 C CB . TYR 24 504 ? B 15.956 12.822 5.794 1.000 2 B 34.905 1 ATOM 2800 C CG . TYR 24 504 ? B 14.774 13.550 6.385 1.000 2 B 34.905 1 ATOM 2801 C CD1 . TYR 24 504 ? B 14.123 13.060 7.515 1.000 2 B 34.905 1 ATOM 2802 C CD2 . TYR 24 504 ? B 14.305 14.729 5.815 1.000 2 B 34.905 1 ATOM 2803 C CE1 . TYR 24 504 ? B 13.032 13.727 8.062 1.000 2 B 34.905 1 ATOM 2804 C CE2 . TYR 24 504 ? B 13.215 15.405 6.354 1.000 2 B 34.905 1 ATOM 2805 C CZ . TYR 24 504 ? B 12.586 14.897 7.476 1.000 2 B 34.905 1 ATOM 2806 O OH . TYR 24 504 ? B 11.507 15.561 8.014 1.000 2 B 34.905 1 ATOM 2807 N N . SER 25 505 ? B 17.837 14.492 8.412 1.000 2 B 32.466 1 ATOM 2808 C CA . SER 25 505 ? B 18.105 14.863 9.798 1.000 2 B 32.466 1 ATOM 2809 C C . SER 25 505 ? B 16.821 14.895 10.619 1.000 2 B 32.466 1 ATOM 2810 O O . SER 25 505 ? B 16.801 15.428 11.731 1.000 2 B 32.466 1 ATOM 2811 C CB . SER 25 505 ? B 18.796 16.225 9.864 1.000 2 B 32.466 1 ATOM 2812 O OG . SER 25 505 ? B 18.059 17.199 9.146 1.000 2 B 32.466 1 ATOM 2813 N N . GLY 26 506 ? B 15.855 13.908 10.427 1.000 2 B 31.020 1 ATOM 2814 C CA . GLY 26 506 ? B 14.837 13.903 11.465 1.000 2 B 31.020 1 ATOM 2815 C C . GLY 26 506 ? B 14.647 12.542 12.108 1.000 2 B 31.020 1 ATOM 2816 O O . GLY 26 506 ? B 13.625 11.887 11.897 1.000 2 B 31.020 1 ATOM 2817 N N . GLU 27 507 ? B 15.651 11.862 12.444 1.000 2 B 34.303 1 ATOM 2818 C CA . GLU 27 507 ? B 15.780 10.568 13.107 1.000 2 B 34.303 1 ATOM 2819 C C . GLU 27 507 ? B 14.929 10.509 14.372 1.000 2 B 34.303 1 ATOM 2820 O O . GLU 27 507 ? B 14.374 9.459 14.704 1.000 2 B 34.303 1 ATOM 2821 C CB . GLU 27 507 ? B 17.246 10.282 13.445 1.000 2 B 34.303 1 ATOM 2822 C CG . GLU 27 507 ? B 17.951 9.399 12.427 1.000 2 B 34.303 1 ATOM 2823 C CD . GLU 27 507 ? B 19.438 9.236 12.701 1.000 2 B 34.303 1 ATOM 2824 O OE1 . GLU 27 507 ? B 20.149 8.643 11.858 1.000 2 B 34.303 1 ATOM 2825 O OE2 . GLU 27 507 ? B 19.895 9.705 13.767 1.000 2 B 34.303 1 ATOM 2826 N N . GLU 28 508 ? B 14.502 11.673 14.964 1.000 2 B 37.828 1 ATOM 2827 C CA . GLU 28 508 ? B 13.829 11.519 16.251 1.000 2 B 37.828 1 ATOM 2828 C C . GLU 28 508 ? B 12.312 11.515 16.083 1.000 2 B 37.828 1 ATOM 2829 O O . GLU 28 508 ? B 11.601 10.841 16.832 1.000 2 B 37.828 1 ATOM 2830 C CB . GLU 28 508 ? B 14.248 12.633 17.214 1.000 2 B 37.828 1 ATOM 2831 C CG . GLU 28 508 ? B 15.515 12.323 17.998 1.000 2 B 37.828 1 ATOM 2832 C CD . GLU 28 508 ? B 15.812 13.343 19.085 1.000 2 B 37.828 1 ATOM 2833 O OE1 . GLU 28 508 ? B 16.799 13.161 19.835 1.000 2 B 37.828 1 ATOM 2834 O OE2 . GLU 28 508 ? B 15.052 14.331 19.189 1.000 2 B 37.828 1 ATOM 2835 N N . ASN 29 509 ? B 11.839 11.558 14.820 1.000 2 B 40.337 1 ATOM 2836 C CA . ASN 29 509 ? B 10.398 11.508 14.597 1.000 2 B 40.337 1 ATOM 2837 C C . ASN 29 509 ? B 10.024 10.421 13.593 1.000 2 B 40.337 1 ATOM 2838 O O . ASN 29 509 ? B 8.844 10.224 13.296 1.000 2 B 40.337 1 ATOM 2839 C CB . ASN 29 509 ? B 9.880 12.868 14.125 1.000 2 B 40.337 1 ATOM 2840 C CG . ASN 29 509 ? B 8.758 13.400 14.994 1.000 2 B 40.337 1 ATOM 2841 O OD1 . ASN 29 509 ? B 8.264 12.704 15.886 1.000 2 B 40.337 1 ATOM 2842 N ND2 . ASN 29 509 ? B 8.348 14.637 14.743 1.000 2 B 40.337 1 ATOM 2843 N N . MET 30 510 ? B 11.071 9.464 13.148 1.000 2 B 40.768 1 ATOM 2844 C CA . MET 30 510 ? B 10.837 8.505 12.072 1.000 2 B 40.768 1 ATOM 2845 C C . MET 30 510 ? B 10.543 7.118 12.635 1.000 2 B 40.768 1 ATOM 2846 O O . MET 30 510 ? B 11.453 6.422 13.089 1.000 2 B 40.768 1 ATOM 2847 C CB . MET 30 510 ? B 12.043 8.443 11.134 1.000 2 B 40.768 1 ATOM 2848 C CG . MET 30 510 ? B 12.352 9.763 10.445 1.000 2 B 40.768 1 ATOM 2849 S SD . MET 30 510 ? B 11.068 10.234 9.222 1.000 2 B 40.768 1 ATOM 2850 C CE . MET 30 510 ? B 11.407 9.018 7.918 1.000 2 B 40.768 1 ATOM 2851 N N . ASP 31 511 ? B 9.595 6.900 13.583 1.000 2 B 39.922 1 ATOM 2852 C CA . ASP 31 511 ? B 9.330 5.504 13.916 1.000 2 B 39.922 1 ATOM 2853 C C . ASP 31 511 ? B 8.969 4.700 12.669 1.000 2 B 39.922 1 ATOM 2854 O O . ASP 31 511 ? B 7.823 4.731 12.215 1.000 2 B 39.922 1 ATOM 2855 C CB . ASP 31 511 ? B 8.208 5.402 14.951 1.000 2 B 39.922 1 ATOM 2856 C CG . ASP 31 511 ? B 8.721 5.332 16.378 1.000 2 B 39.922 1 ATOM 2857 O OD1 . ASP 31 511 ? B 9.928 5.078 16.580 1.000 2 B 39.922 1 ATOM 2858 O OD2 . ASP 31 511 ? B 7.911 5.530 17.309 1.000 2 B 39.922 1 ATOM 2859 N N . ILE 32 512 ? B 9.595 4.811 11.477 1.000 2 B 51.807 1 ATOM 2860 C CA . ILE 32 512 ? B 9.421 3.746 10.496 1.000 2 B 51.807 1 ATOM 2861 C C . ILE 32 512 ? B 9.142 2.426 11.210 1.000 2 B 51.807 1 ATOM 2862 O O . ILE 32 512 ? B 9.699 2.161 12.278 1.000 2 B 51.807 1 ATOM 2863 C CB . ILE 32 512 ? B 10.661 3.610 9.584 1.000 2 B 51.807 1 ATOM 2864 C CG1 . ILE 32 512 ? B 10.885 4.902 8.790 1.000 2 B 51.807 1 ATOM 2865 C CG2 . ILE 32 512 ? B 10.512 2.409 8.645 1.000 2 B 51.807 1 ATOM 2866 C CD1 . ILE 32 512 ? B 12.191 4.930 8.008 1.000 2 B 51.807 1 ATOM 2867 N N . THR 33 513 ? B 7.868 1.941 11.242 1.000 2 B 52.634 1 ATOM 2868 C CA . THR 33 513 ? B 7.611 0.648 11.865 1.000 2 B 52.634 1 ATOM 2869 C C . THR 33 513 ? B 8.847 -0.244 11.792 1.000 2 B 52.634 1 ATOM 2870 O O . THR 33 513 ? B 9.396 -0.464 10.710 1.000 2 B 52.634 1 ATOM 2871 C CB . THR 33 513 ? B 6.419 -0.066 11.200 1.000 2 B 52.634 1 ATOM 2872 O OG1 . THR 33 513 ? B 5.363 0.878 10.986 1.000 2 B 52.634 1 ATOM 2873 C CG2 . THR 33 513 ? B 5.900 -1.202 12.075 1.000 2 B 52.634 1 ATOM 2874 N N . LYS 34 514 ? B 9.860 -0.131 12.572 1.000 2 B 51.106 1 ATOM 2875 C CA . LYS 34 514 ? B 10.975 -1.071 12.626 1.000 2 B 51.106 1 ATOM 2876 C C . LYS 34 514 ? B 10.506 -2.497 12.349 1.000 2 B 51.106 1 ATOM 2877 O O . LYS 34 514 ? B 9.489 -2.937 12.889 1.000 2 B 51.106 1 ATOM 2878 C CB . LYS 34 514 ? B 11.669 -1.003 13.987 1.000 2 B 51.106 1 ATOM 2879 C CG . LYS 34 514 ? B 12.502 0.253 14.195 1.000 2 B 51.106 1 ATOM 2880 C CD . LYS 34 514 ? B 13.310 0.181 15.485 1.000 2 B 51.106 1 ATOM 2881 C CE . LYS 34 514 ? B 14.099 1.461 15.723 1.000 2 B 51.106 1 ATOM 2882 N NZ . LYS 34 514 ? B 14.889 1.397 16.989 1.000 2 B 51.106 1 ATOM 2883 N N . SER 35 515 ? B 10.560 -2.906 11.079 1.000 2 B 56.845 1 ATOM 2884 C CA . SER 35 515 ? B 10.313 -4.296 10.710 1.000 2 B 56.845 1 ATOM 2885 C C . SER 35 515 ? B 11.405 -5.214 11.248 1.000 2 B 56.845 1 ATOM 2886 O O . SER 35 515 ? B 12.594 -4.920 11.110 1.000 2 B 56.845 1 ATOM 2887 C CB . SER 35 515 ? B 10.219 -4.439 9.190 1.000 2 B 56.845 1 ATOM 2888 O OG . SER 35 515 ? B 9.263 -3.538 8.658 1.000 2 B 56.845 1 ATOM 2889 N N . HIS 36 516 ? B 11.265 -5.846 12.436 1.000 2 B 62.929 1 ATOM 2890 C CA . HIS 36 516 ? B 12.279 -6.764 12.941 1.000 2 B 62.929 1 ATOM 2891 C C . HIS 36 516 ? B 11.860 -8.216 12.736 1.000 2 B 62.929 1 ATOM 2892 O O . HIS 36 516 ? B 10.672 -8.540 12.812 1.000 2 B 62.929 1 ATOM 2893 C CB . HIS 36 516 ? B 12.549 -6.501 14.424 1.000 2 B 62.929 1 ATOM 2894 C CG . HIS 36 516 ? B 13.228 -5.195 14.687 1.000 2 B 62.929 1 ATOM 2895 N ND1 . HIS 36 516 ? B 12.563 -3.988 14.642 1.000 2 B 62.929 1 ATOM 2896 C CD2 . HIS 36 516 ? B 14.513 -4.908 15.002 1.000 2 B 62.929 1 ATOM 2897 C CE1 . HIS 36 516 ? B 13.413 -3.013 14.917 1.000 2 B 62.929 1 ATOM 2898 N NE2 . HIS 36 516 ? B 14.603 -3.545 15.140 1.000 2 B 62.929 1 ATOM 2899 N N . THR 37 517 ? B 12.797 -8.991 12.107 1.000 2 B 71.725 1 ATOM 2900 C CA . THR 37 517 ? B 12.652 -10.442 12.098 1.000 2 B 71.725 1 ATOM 2901 C C . THR 37 517 ? B 13.031 -11.032 13.453 1.000 2 B 71.725 1 ATOM 2902 O O . THR 37 517 ? B 14.077 -10.695 14.012 1.000 2 B 71.725 1 ATOM 2903 C CB . THR 37 517 ? B 13.517 -11.083 10.996 1.000 2 B 71.725 1 ATOM 2904 O OG1 . THR 37 517 ? B 13.169 -10.509 9.730 1.000 2 B 71.725 1 ATOM 2905 C CG2 . THR 37 517 ? B 13.301 -12.591 10.935 1.000 2 B 71.725 1 ATOM 2906 N N . VAL 38 518 ? B 12.008 -11.762 14.041 1.000 2 B 77.397 1 ATOM 2907 C CA . VAL 38 518 ? B 12.213 -12.332 15.368 1.000 2 B 77.397 1 ATOM 2908 C C . VAL 38 518 ? B 12.440 -13.838 15.254 1.000 2 B 77.397 1 ATOM 2909 O O . VAL 38 518 ? B 11.811 -14.506 14.430 1.000 2 B 77.397 1 ATOM 2910 C CB . VAL 38 518 ? B 11.016 -12.043 16.302 1.000 2 B 77.397 1 ATOM 2911 C CG1 . VAL 38 518 ? B 11.246 -12.658 17.681 1.000 2 B 77.397 1 ATOM 2912 C CG2 . VAL 38 518 ? B 10.781 -10.538 16.416 1.000 2 B 77.397 1 ATOM 2913 N N . ALA 39 519 ? B 13.482 -14.392 15.914 1.000 2 B 76.029 1 ATOM 2914 C CA . ALA 39 519 ? B 13.772 -15.821 15.994 1.000 2 B 76.029 1 ATOM 2915 C C . ALA 39 519 ? B 13.343 -16.394 17.342 1.000 2 B 76.029 1 ATOM 2916 O O . ALA 39 519 ? B 13.630 -15.811 18.390 1.000 2 B 76.029 1 ATOM 2917 C CB . ALA 39 519 ? B 15.259 -16.076 15.760 1.000 2 B 76.029 1 ATOM 2918 N N . ILE 40 520 ? B 12.418 -17.381 17.290 1.000 2 B 77.313 1 ATOM 2919 C CA . ILE 40 520 ? B 11.996 -18.055 18.513 1.000 2 B 77.313 1 ATOM 2920 C C . ILE 40 520 ? B 12.616 -19.449 18.575 1.000 2 B 77.313 1 ATOM 2921 O O . ILE 40 520 ? B 12.426 -20.261 17.666 1.000 2 B 77.313 1 ATOM 2922 C CB . ILE 40 520 ? B 10.456 -18.148 18.604 1.000 2 B 77.313 1 ATOM 2923 C CG1 . ILE 40 520 ? B 9.833 -16.749 18.563 1.000 2 B 77.313 1 ATOM 2924 C CG2 . ILE 40 520 ? B 10.035 -18.899 19.871 1.000 2 B 77.313 1 ATOM 2925 C CD1 . ILE 40 520 ? B 8.316 -16.750 18.426 1.000 2 B 77.313 1 ATOM 2926 N N . ASP 41 521 ? B 13.528 -19.747 19.544 1.000 2 B 74.325 1 ATOM 2927 C CA . ASP 41 521 ? B 14.164 -21.040 19.775 1.000 2 B 74.325 1 ATOM 2928 C C . ASP 41 521 ? B 13.215 -21.998 20.493 1.000 2 B 74.325 1 ATOM 2929 O O . ASP 41 521 ? B 12.766 -21.717 21.606 1.000 2 B 74.325 1 ATOM 2930 C CB . ASP 41 521 ? B 15.450 -20.869 20.585 1.000 2 B 74.325 1 ATOM 2931 C CG . ASP 41 521 ? B 16.281 -22.138 20.654 1.000 2 B 74.325 1 ATOM 2932 O OD1 . ASP 41 521 ? B 15.800 -23.207 20.220 1.000 2 B 74.325 1 ATOM 2933 O OD2 . ASP 41 521 ? B 17.427 -22.069 21.150 1.000 2 B 74.325 1 ATOM 2934 N N . ASN 42 522 ? B 12.783 -23.139 19.875 1.000 2 B 65.682 1 ATOM 2935 C CA . ASN 42 522 ? B 11.859 -24.112 20.447 1.000 2 B 65.682 1 ATOM 2936 C C . ASN 42 522 ? B 12.563 -25.047 21.425 1.000 2 B 65.682 1 ATOM 2937 O O . ASN 42 522 ? B 11.912 -25.812 22.139 1.000 2 B 65.682 1 ATOM 2938 C CB . ASN 42 522 ? B 11.175 -24.918 19.340 1.000 2 B 65.682 1 ATOM 2939 C CG . ASN 42 522 ? B 10.250 -24.073 18.488 1.000 2 B 65.682 1 ATOM 2940 O OD1 . ASN 42 522 ? B 9.820 -22.993 18.901 1.000 2 B 65.682 1 ATOM 2941 N ND2 . ASN 42 522 ? B 9.938 -24.557 17.291 1.000 2 B 65.682 1 ATOM 2942 N N . GLN 43 523 ? B 13.893 -25.070 21.592 1.000 2 B 62.417 1 ATOM 2943 C CA . GLN 43 523 ? B 14.600 -25.944 22.521 1.000 2 B 62.417 1 ATOM 2944 C C . GLN 43 523 ? B 14.367 -25.514 23.967 1.000 2 B 62.417 1 ATOM 2945 O O . GLN 43 523 ? B 14.471 -26.328 24.886 1.000 2 B 62.417 1 ATOM 2946 C CB . GLN 43 523 ? B 16.098 -25.957 22.212 1.000 2 B 62.417 1 ATOM 2947 C CG . GLN 43 523 ? B 16.463 -26.765 20.974 1.000 2 B 62.417 1 ATOM 2948 C CD . GLN 43 523 ? B 17.954 -27.020 20.858 1.000 2 B 62.417 1 ATOM 2949 O OE1 . GLN 43 523 ? B 18.682 -26.993 21.856 1.000 2 B 62.417 1 ATOM 2950 N NE2 . GLN 43 523 ? B 18.421 -27.270 19.639 1.000 2 B 62.417 1 ATOM 2951 N N . ILE 44 524 ? B 13.858 -24.268 24.123 1.000 2 B 52.585 1 ATOM 2952 C CA . ILE 44 524 ? B 13.653 -23.889 25.517 1.000 2 B 52.585 1 ATOM 2953 C C . ILE 44 524 ? B 12.353 -24.503 26.032 1.000 2 B 52.585 1 ATOM 2954 O O . ILE 44 524 ? B 12.256 -24.873 27.204 1.000 2 B 52.585 1 ATOM 2955 C CB . ILE 44 524 ? B 13.626 -22.354 25.688 1.000 2 B 52.585 1 ATOM 2956 C CG1 . ILE 44 524 ? B 14.962 -21.744 25.248 1.000 2 B 52.585 1 ATOM 2957 C CG2 . ILE 44 524 ? B 13.303 -21.978 27.136 1.000 2 B 52.585 1 ATOM 2958 C CD1 . ILE 44 524 ? B 14.957 -20.223 25.186 1.000 2 B 52.585 1 ATOM 2959 N N . PHE 45 525 ? B 11.596 -25.261 25.120 1.000 2 B 42.491 1 ATOM 2960 C CA . PHE 45 525 ? B 10.351 -25.848 25.602 1.000 2 B 42.491 1 ATOM 2961 C C . PHE 45 525 ? B 10.423 -27.370 25.573 1.000 2 B 42.491 1 ATOM 2962 O O . PHE 45 525 ? B 9.658 -28.046 26.264 1.000 2 B 42.491 1 ATOM 2963 C CB . PHE 45 525 ? B 9.166 -25.362 24.763 1.000 2 B 42.491 1 ATOM 2964 C CG . PHE 45 525 ? B 8.289 -24.365 25.471 1.000 2 B 42.491 1 ATOM 2965 C CD1 . PHE 45 525 ? B 7.233 -24.789 26.268 1.000 2 B 42.491 1 ATOM 2966 C CD2 . PHE 45 525 ? B 8.520 -23.002 25.339 1.000 2 B 42.491 1 ATOM 2967 C CE1 . PHE 45 525 ? B 6.419 -23.869 26.924 1.000 2 B 42.491 1 ATOM 2968 C CE2 . PHE 45 525 ? B 7.712 -22.076 25.991 1.000 2 B 42.491 1 ATOM 2969 C CZ . PHE 45 525 ? B 6.661 -22.511 26.783 1.000 2 B 42.491 1 ATOM 2970 N N . LYS 46 526 ? B 11.636 -27.959 25.136 1.000 2 B 40.080 1 ATOM 2971 C CA . LYS 46 526 ? B 11.669 -29.419 25.126 1.000 2 B 40.080 1 ATOM 2972 C C . LYS 46 526 ? B 12.580 -29.956 26.226 1.000 2 B 40.080 1 ATOM 2973 O O . LYS 46 526 ? B 12.652 -31.168 26.443 1.000 2 B 40.080 1 ATOM 2974 C CB . LYS 46 526 ? B 12.132 -29.936 23.763 1.000 2 B 40.080 1 ATOM 2975 C CG . LYS 46 526 ? B 11.098 -29.779 22.658 1.000 2 B 40.080 1 ATOM 2976 C CD . LYS 46 526 ? B 10.981 -31.045 21.818 1.000 2 B 40.080 1 ATOM 2977 C CE . LYS 46 526 ? B 9.952 -30.887 20.707 1.000 2 B 40.080 1 ATOM 2978 N NZ . LYS 46 526 ? B 9.811 -32.136 19.900 1.000 2 B 40.080 1 ATOM 2979 N N . GLN 47 527 ? B 12.906 -29.137 27.310 1.000 2 B 32.648 1 ATOM 2980 C CA . GLN 47 527 ? B 13.669 -29.752 28.390 1.000 2 B 32.648 1 ATOM 2981 C C . GLN 47 527 ? B 12.854 -29.803 29.680 1.000 2 B 32.648 1 ATOM 2982 O O . GLN 47 527 ? B 12.622 -28.772 30.315 1.000 2 B 32.648 1 ATOM 2983 C CB . GLN 47 527 ? B 14.976 -28.992 28.625 1.000 2 B 32.648 1 ATOM 2984 C CG . GLN 47 527 ? B 16.032 -29.800 29.366 1.000 2 B 32.648 1 ATOM 2985 C CD . GLN 47 527 ? B 17.369 -29.087 29.443 1.000 2 B 32.648 1 ATOM 2986 O OE1 . GLN 47 527 ? B 17.551 -28.015 28.856 1.000 2 B 32.648 1 ATOM 2987 N NE2 . GLN 47 527 ? B 18.315 -29.677 30.167 1.000 2 B 32.648 1 ATOM 2988 N N . ASP 48 528 ? B 11.589 -30.325 29.663 1.000 2 B 34.511 1 ATOM 2989 C CA . ASP 48 528 ? B 11.128 -30.903 30.922 1.000 2 B 34.511 1 ATOM 2990 C C . ASP 48 528 ? B 10.211 -32.098 30.674 1.000 2 B 34.511 1 ATOM 2991 O O . ASP 48 528 ? B 9.750 -32.741 31.620 1.000 2 B 34.511 1 ATOM 2992 C CB . ASP 48 528 ? B 10.403 -29.849 31.762 1.000 2 B 34.511 1 ATOM 2993 C CG . ASP 48 528 ? B 11.312 -29.162 32.766 1.000 2 B 34.511 1 ATOM 2994 O OD1 . ASP 48 528 ? B 12.458 -29.620 32.964 1.000 2 B 34.511 1 ATOM 2995 O OD2 . ASP 48 528 ? B 10.878 -28.155 33.366 1.000 2 B 34.511 1 ATOM 2996 N N . GLN 49 529 ? B 10.450 -32.948 29.642 1.000 2 B 34.661 1 ATOM 2997 C CA . GLN 49 529 ? B 9.652 -34.161 29.790 1.000 2 B 34.661 1 ATOM 2998 C C . GLN 49 529 ? B 10.435 -35.392 29.343 1.000 2 B 34.661 1 ATOM 2999 O O . GLN 49 529 ? B 10.727 -35.552 28.157 1.000 2 B 34.661 1 ATOM 3000 C CB . GLN 49 529 ? B 8.352 -34.049 28.992 1.000 2 B 34.661 1 ATOM 3001 C CG . GLN 49 529 ? B 7.191 -33.465 29.787 1.000 2 B 34.661 1 ATOM 3002 C CD . GLN 49 529 ? B 5.894 -33.443 29.001 1.000 2 B 34.661 1 ATOM 3003 O OE1 . GLN 49 529 ? B 5.670 -34.283 28.124 1.000 2 B 34.661 1 ATOM 3004 N NE2 . GLN 49 529 ? B 5.030 -32.482 29.309 1.000 2 B 34.661 1 ATOM 3005 N N . SER 50 530 ? B 11.685 -35.637 29.787 1.000 2 B 30.383 1 ATOM 3006 C CA . SER 50 530 ? B 12.297 -36.956 29.667 1.000 2 B 30.383 1 ATOM 3007 C C . SER 50 530 ? B 12.861 -37.427 31.004 1.000 2 B 30.383 1 ATOM 3008 O O . SER 50 530 ? B 13.484 -36.650 31.729 1.000 2 B 30.383 1 ATOM 3009 C CB . SER 50 530 ? B 13.406 -36.939 28.614 1.000 2 B 30.383 1 ATOM 3010 O OG . SER 50 530 ? B 14.480 -36.111 29.028 1.000 2 B 30.383 1 ATOM 3011 N N . ASN 51 531 ? B 12.072 -38.035 31.905 1.000 2 B 25.962 1 ATOM 3012 C CA . ASN 51 531 ? B 12.361 -39.384 32.382 1.000 2 B 25.962 1 ATOM 3013 C C . ASN 51 531 ? B 13.050 -39.361 33.743 1.000 2 B 25.962 1 ATOM 3014 O O . ASN 51 531 ? B 14.215 -38.970 33.847 1.000 2 B 25.962 1 ATOM 3015 C CB . ASN 51 531 ? B 13.218 -40.141 31.365 1.000 2 B 25.962 1 ATOM 3016 C CG . ASN 51 531 ? B 12.522 -41.371 30.817 1.000 2 B 25.962 1 ATOM 3017 O OD1 . ASN 51 531 ? B 11.396 -41.689 31.207 1.000 2 B 25.962 1 ATOM 3018 N ND2 . ASN 51 531 ? B 13.188 -42.072 29.906 1.000 2 B 25.962 1 ATOM 3019 N N . VAL 52 532 ? B 12.375 -39.047 34.837 1.000 2 B 30.202 1 ATOM 3020 C CA . VAL 52 532 ? B 12.894 -39.706 36.031 1.000 2 B 30.202 1 ATOM 3021 C C . VAL 52 532 ? B 11.804 -40.572 36.659 1.000 2 B 30.202 1 ATOM 3022 O O . VAL 52 532 ? B 10.701 -40.092 36.930 1.000 2 B 30.202 1 ATOM 3023 C CB . VAL 52 532 ? B 13.420 -38.681 37.061 1.000 2 B 30.202 1 ATOM 3024 C CG1 . VAL 52 532 ? B 13.947 -39.390 38.308 1.000 2 B 30.202 1 ATOM 3025 C CG2 . VAL 52 532 ? B 14.509 -37.809 36.438 1.000 2 B 30.202 1 ATOM 3026 N N . GLN 53 533 ? B 11.574 -41.778 36.167 1.000 2 B 26.790 1 ATOM 3027 C CA . GLN 53 533 ? B 11.369 -43.031 36.884 1.000 2 B 26.790 1 ATOM 3028 C C . GLN 53 533 ? B 12.416 -43.217 37.979 1.000 2 B 26.790 1 ATOM 3029 O O . GLN 53 533 ? B 13.613 -43.297 37.693 1.000 2 B 26.790 1 ATOM 3030 C CB . GLN 53 533 ? B 11.404 -44.216 35.917 1.000 2 B 26.790 1 ATOM 3031 C CG . GLN 53 533 ? B 10.058 -44.530 35.280 1.000 2 B 26.790 1 ATOM 3032 C CD . GLN 53 533 ? B 10.096 -45.772 34.409 1.000 2 B 26.790 1 ATOM 3033 O OE1 . GLN 53 533 ? B 10.980 -46.622 34.555 1.000 2 B 26.790 1 ATOM 3034 N NE2 . GLN 53 533 ? B 9.137 -45.886 33.496 1.000 2 B 26.790 1 ATOM 3035 N N . ILE 54 534 ? B 12.320 -42.561 39.111 1.000 2 B 32.224 1 ATOM 3036 C CA . ILE 54 534 ? B 12.798 -43.125 40.369 1.000 2 B 32.224 1 ATOM 3037 C C . ILE 54 534 ? B 11.640 -43.231 41.359 1.000 2 B 32.224 1 ATOM 3038 O O . ILE 54 534 ? B 10.871 -42.283 41.528 1.000 2 B 32.224 1 ATOM 3039 C CB . ILE 54 534 ? B 13.941 -42.277 40.970 1.000 2 B 32.224 1 ATOM 3040 C CG1 . ILE 54 534 ? B 15.130 -42.221 40.003 1.000 2 B 32.224 1 ATOM 3041 C CG2 . ILE 54 534 ? B 14.368 -42.834 42.331 1.000 2 B 32.224 1 ATOM 3042 C CD1 . ILE 54 534 ? B 16.269 -41.327 40.473 1.000 2 B 32.224 1 ATOM 3043 N N . ALA 55 535 ? B 11.057 -44.436 41.505 1.000 2 B 23.242 1 ATOM 3044 C CA . ALA 55 535 ? B 10.889 -45.417 42.574 1.000 2 B 23.242 1 ATOM 3045 C C . ALA 55 535 ? B 11.211 -44.806 43.935 1.000 2 B 23.242 1 ATOM 3046 O O . ALA 55 535 ? B 12.249 -44.162 44.104 1.000 2 B 23.242 1 ATOM 3047 C CB . ALA 55 535 ? B 11.771 -46.637 42.320 1.000 2 B 23.242 1 ATOM 3048 N N . ALA 56 536 ? B 10.179 -44.455 44.801 1.000 2 B 25.363 1 ATOM 3049 C CA . ALA 56 536 ? B 10.021 -44.819 46.206 1.000 2 B 25.363 1 ATOM 3050 C C . ALA 56 536 ? B 9.216 -43.764 46.959 1.000 2 B 25.363 1 ATOM 3051 O O . ALA 56 536 ? B 9.466 -42.564 46.817 1.000 2 B 25.363 1 ATOM 3052 C CB . ALA 56 536 ? B 11.386 -45.010 46.863 1.000 2 B 25.363 1 ATOM 3053 N N . ALA 57 537 ? B 7.852 -43.927 47.192 1.000 2 B 25.476 1 ATOM 3054 C CA . ALA 57 537 ? B 6.923 -44.003 48.317 1.000 2 B 25.476 1 ATOM 3055 C C . ALA 57 537 ? B 7.063 -42.785 49.226 1.000 2 B 25.476 1 ATOM 3056 O O . ALA 57 537 ? B 8.179 -42.358 49.535 1.000 2 B 25.476 1 ATOM 3057 C CB . ALA 57 537 ? B 7.153 -45.286 49.112 1.000 2 B 25.476 1 ATOM 3058 N N . PRO 58 538 ? B 5.944 -42.152 49.776 1.000 2 B 29.946 1 ATOM 3059 C CA . PRO 58 538 ? B 5.511 -40.943 50.480 1.000 2 B 29.946 1 ATOM 3060 C C . PRO 58 538 ? B 5.535 -41.102 51.998 1.000 2 B 29.946 1 ATOM 3061 O O . PRO 58 538 ? B 5.326 -42.205 52.510 1.000 2 B 29.946 1 ATOM 3062 C CB . PRO 58 538 ? B 4.080 -40.735 49.976 1.000 2 B 29.946 1 ATOM 3063 C CG . PRO 58 538 ? B 3.602 -42.103 49.609 1.000 2 B 29.946 1 ATOM 3064 C CD . PRO 58 538 ? B 4.725 -43.075 49.829 1.000 2 B 29.946 1 ATOM 3065 N N . THR 59 539 ? B 6.278 -40.179 52.597 1.000 2 B 24.941 1 ATOM 3066 C CA . THR 59 539 ? B 5.841 -39.767 53.926 1.000 2 B 24.941 1 ATOM 3067 C C . THR 59 539 ? B 5.696 -38.250 54.002 1.000 2 B 24.941 1 ATOM 3068 O O . THR 59 539 ? B 6.552 -37.513 53.508 1.000 2 B 24.941 1 ATOM 3069 C CB . THR 59 539 ? B 6.825 -40.246 55.010 1.000 2 B 24.941 1 ATOM 3070 O OG1 . THR 59 539 ? B 8.158 -40.215 54.485 1.000 2 B 24.941 1 ATOM 3071 C CG2 . THR 59 539 ? B 6.500 -41.667 55.458 1.000 2 B 24.941 1 ATOM 3072 N N . PRO 60 540 ? B 4.598 -37.581 54.446 1.000 2 B 30.747 1 ATOM 3073 C CA . PRO 60 540 ? B 4.199 -36.220 54.810 1.000 2 B 30.747 1 ATOM 3074 C C . PRO 60 540 ? B 4.503 -35.886 56.269 1.000 2 B 30.747 1 ATOM 3075 O O . PRO 60 540 ? B 4.520 -36.779 57.120 1.000 2 B 30.747 1 ATOM 3076 C CB . PRO 60 540 ? B 2.690 -36.213 54.552 1.000 2 B 30.747 1 ATOM 3077 C CG . PRO 60 540 ? B 2.243 -37.604 54.868 1.000 2 B 30.747 1 ATOM 3078 C CD . PRO 60 540 ? B 3.452 -38.430 55.202 1.000 2 B 30.747 1 ATOM 3079 N N . GLU 61 541 ? B 5.404 -34.913 56.487 1.000 2 B 26.517 1 ATOM 3080 C CA . GLU 61 541 ? B 5.521 -34.205 57.758 1.000 2 B 26.517 1 ATOM 3081 C C . GLU 61 541 ? B 5.911 -32.745 57.542 1.000 2 B 26.517 1 ATOM 3082 O O . GLU 61 541 ? B 6.840 -32.451 56.786 1.000 2 B 26.517 1 ATOM 3083 C CB . GLU 61 541 ? B 6.543 -34.894 58.666 1.000 2 B 26.517 1 ATOM 3084 C CG . GLU 61 541 ? B 6.017 -36.154 59.338 1.000 2 B 26.517 1 ATOM 3085 C CD . GLU 61 541 ? B 6.983 -36.738 60.356 1.000 2 B 26.517 1 ATOM 3086 O OE1 . GLU 61 541 ? B 6.635 -37.744 61.016 1.000 2 B 26.517 1 ATOM 3087 O OE2 . GLU 61 541 ? B 8.097 -36.185 60.497 1.000 2 B 26.517 1 ATOM 3088 N N . LYS 62 542 ? B 4.960 -31.798 57.580 1.000 2 B 26.698 1 ATOM 3089 C CA . LYS 62 542 ? B 4.902 -30.834 58.675 1.000 2 B 26.698 1 ATOM 3090 C C . LYS 62 542 ? B 5.409 -29.466 58.230 1.000 2 B 26.698 1 ATOM 3091 O O . LYS 62 542 ? B 6.500 -29.355 57.665 1.000 2 B 26.698 1 ATOM 3092 C CB . LYS 62 542 ? B 5.715 -31.331 59.871 1.000 2 B 26.698 1 ATOM 3093 C CG . LYS 62 542 ? B 4.897 -31.520 61.140 1.000 2 B 26.698 1 ATOM 3094 C CD . LYS 62 542 ? B 5.767 -31.981 62.302 1.000 2 B 26.698 1 ATOM 3095 C CE . LYS 62 542 ? B 4.945 -32.193 63.567 1.000 2 B 26.698 1 ATOM 3096 N NZ . LYS 62 542 ? B 5.770 -32.763 64.674 1.000 2 B 26.698 1 ATOM 3097 N N . GLU 63 543 ? B 4.559 -28.513 57.927 1.000 2 B 26.002 1 ATOM 3098 C CA . GLU 63 543 ? B 4.171 -27.323 58.677 1.000 2 B 26.002 1 ATOM 3099 C C . GLU 63 543 ? B 5.268 -26.263 58.638 1.000 2 B 26.002 1 ATOM 3100 O O . GLU 63 543 ? B 6.383 -26.499 59.107 1.000 2 B 26.002 1 ATOM 3101 C CB . GLU 63 543 ? B 3.841 -27.685 60.127 1.000 2 B 26.002 1 ATOM 3102 C CG . GLU 63 543 ? B 2.536 -27.085 60.630 1.000 2 B 26.002 1 ATOM 3103 C CD . GLU 63 543 ? B 2.128 -27.600 62.001 1.000 2 B 26.002 1 ATOM 3104 O OE1 . GLU 63 543 ? B 1.043 -27.216 62.495 1.000 2 B 26.002 1 ATOM 3105 O OE2 . GLU 63 543 ? B 2.900 -28.391 62.587 1.000 2 B 26.002 1 ATOM 3106 N N . MET 64 544 ? B 5.201 -25.347 57.745 1.000 2 B 29.867 1 ATOM 3107 C CA . MET 64 544 ? B 5.666 -23.987 58.004 1.000 2 B 29.867 1 ATOM 3108 C C . MET 64 544 ? B 4.715 -22.962 57.395 1.000 2 B 29.867 1 ATOM 3109 O O . MET 64 544 ? B 4.340 -23.074 56.227 1.000 2 B 29.867 1 ATOM 3110 C CB . MET 64 544 ? B 7.077 -23.786 57.448 1.000 2 B 29.867 1 ATOM 3111 C CG . MET 64 544 ? B 8.179 -24.108 58.444 1.000 2 B 29.867 1 ATOM 3112 S SD . MET 64 544 ? B 9.851 -23.720 57.793 1.000 2 B 29.867 1 ATOM 3113 C CE . MET 64 544 ? B 10.096 -22.069 58.506 1.000 2 B 29.867 1 ATOM 3114 N N . MET 65 545 ? B 3.698 -22.556 58.107 1.000 2 B 24.683 1 ATOM 3115 C CA . MET 65 545 ? B 3.158 -21.293 58.604 1.000 2 B 24.683 1 ATOM 3116 C C . MET 65 545 ? B 4.016 -20.118 58.147 1.000 2 B 24.683 1 ATOM 3117 O O . MET 65 545 ? B 5.211 -20.063 58.443 1.000 2 B 24.683 1 ATOM 3118 C CB . MET 65 545 ? B 3.066 -21.310 60.131 1.000 2 B 24.683 1 ATOM 3119 C CG . MET 65 545 ? B 1.869 -22.081 60.664 1.000 2 B 24.683 1 ATOM 3120 S SD . MET 65 545 ? B 0.413 -21.004 60.956 1.000 2 B 24.683 1 ATOM 3121 C CE . MET 65 545 ? B -0.111 -21.608 62.585 1.000 2 B 24.683 1 ATOM 3122 N N . LEU 66 546 ? B 3.739 -19.495 57.025 1.000 2 B 30.284 1 ATOM 3123 C CA . LEU 66 546 ? B 3.903 -18.054 56.868 1.000 2 B 30.284 1 ATOM 3124 C C . LEU 66 546 ? B 2.597 -17.403 56.424 1.000 2 B 30.284 1 ATOM 3125 O O . LEU 66 546 ? B 1.981 -17.841 55.449 1.000 2 B 30.284 1 ATOM 3126 C CB . LEU 66 546 ? B 5.010 -17.748 55.855 1.000 2 B 30.284 1 ATOM 3127 C CG . LEU 66 546 ? B 6.444 -17.789 56.385 1.000 2 B 30.284 1 ATOM 3128 C CD1 . LEU 66 546 ? B 7.430 -17.953 55.233 1.000 2 B 30.284 1 ATOM 3129 C CD2 . LEU 66 546 ? B 6.754 -16.529 57.186 1.000 2 B 30.284 1 ATOM 3130 N N . GLN 67 547 ? B 1.818 -16.939 57.459 1.000 2 B 25.961 1 ATOM 3131 C CA . GLN 67 547 ? B 1.384 -15.621 57.909 1.000 2 B 25.961 1 ATOM 3132 C C . GLN 67 547 ? B 0.856 -14.788 56.745 1.000 2 B 25.961 1 ATOM 3133 O O . GLN 67 547 ? B 1.532 -14.639 55.725 1.000 2 B 25.961 1 ATOM 3134 C CB . GLN 67 547 ? B 2.531 -14.886 58.604 1.000 2 B 25.961 1 ATOM 3135 C CG . GLN 67 547 ? B 2.176 -14.357 59.986 1.000 2 B 25.961 1 ATOM 3136 C CD . GLN 67 547 ? B 3.381 -14.249 60.901 1.000 2 B 25.961 1 ATOM 3137 O OE1 . GLN 67 547 ? B 4.490 -13.939 60.455 1.000 2 B 25.961 1 ATOM 3138 N NE2 . GLN 67 547 ? B 3.173 -14.503 62.189 1.000 2 B 25.961 1 ATOM 3139 N N . ASN 68 548 ? B -0.405 -14.797 56.506 1.000 2 B 24.149 1 ATOM 3140 C CA . ASN 68 548 ? B -1.529 -13.871 56.597 1.000 2 B 24.149 1 ATOM 3141 C C . ASN 68 548 ? B -1.118 -12.452 56.217 1.000 2 B 24.149 1 ATOM 3142 O O . ASN 68 548 ? B -0.292 -11.838 56.895 1.000 2 B 24.149 1 ATOM 3143 C CB . ASN 68 548 ? B -2.129 -13.892 58.004 1.000 2 B 24.149 1 ATOM 3144 C CG . ASN 68 548 ? B -2.848 -15.191 58.313 1.000 2 B 24.149 1 ATOM 3145 O OD1 . ASN 68 548 ? B -3.287 -15.903 57.406 1.000 2 B 24.149 1 ATOM 3146 N ND2 . ASN 68 548 ? B -2.972 -15.509 59.596 1.000 2 B 24.149 1 ATOM 3147 N N . LEU 69 549 ? B -1.321 -12.071 55.022 1.000 2 B 28.018 1 ATOM 3148 C CA . LEU 69 549 ? B -1.751 -10.726 54.655 1.000 2 B 28.018 1 ATOM 3149 C C . LEU 69 549 ? B -3.261 -10.677 54.445 1.000 2 B 28.018 1 ATOM 3150 O O . LEU 69 549 ? B -3.813 -11.477 53.687 1.000 2 B 28.018 1 ATOM 3151 C CB . LEU 69 549 ? B -1.032 -10.262 53.386 1.000 2 B 28.018 1 ATOM 3152 C CG . LEU 69 549 ? B -0.280 -8.934 53.480 1.000 2 B 28.018 1 ATOM 3153 C CD1 . LEU 69 549 ? B 1.223 -9.181 53.564 1.000 2 B 28.018 1 ATOM 3154 C CD2 . LEU 69 549 ? B -0.614 -8.043 52.289 1.000 2 B 28.018 1 ATOM 3155 N N . MET 70 550 ? B -4.053 -10.516 55.549 1.000 2 B 21.642 1 ATOM 3156 C CA . MET 70 550 ? B -5.111 -9.659 56.077 1.000 2 B 21.642 1 ATOM 3157 C C . MET 70 550 ? B -5.159 -8.330 55.330 1.000 2 B 21.642 1 ATOM 3158 O O . MET 70 550 ? B -4.138 -7.654 55.193 1.000 2 B 21.642 1 ATOM 3159 C CB . MET 70 550 ? B -4.908 -9.412 57.572 1.000 2 B 21.642 1 ATOM 3160 C CG . MET 70 550 ? B -5.909 -10.138 58.456 1.000 2 B 21.642 1 ATOM 3161 S SD . MET 70 550 ? B -7.482 -9.212 58.645 1.000 2 B 21.642 1 ATOM 3162 C CE . MET 70 550 ? B -7.122 -8.275 60.156 1.000 2 B 21.642 1 ATOM 3163 N N . THR 71 551 ? B -6.234 -8.110 54.508 1.000 2 B 25.833 1 ATOM 3164 C CA . THR 71 551 ? B -7.096 -6.934 54.467 1.000 2 B 25.833 1 ATOM 3165 C C . THR 71 551 ? B -8.466 -7.288 53.896 1.000 2 B 25.833 1 ATOM 3166 O O . THR 71 551 ? B -8.563 -8.032 52.918 1.000 2 B 25.833 1 ATOM 3167 C CB . THR 71 551 ? B -6.464 -5.806 53.632 1.000 2 B 25.833 1 ATOM 3168 O OG1 . THR 71 551 ? B -5.697 -6.381 52.567 1.000 2 B 25.833 1 ATOM 3169 C CG2 . THR 71 551 ? B -5.551 -4.933 54.487 1.000 2 B 25.833 1 ATOM 3170 N N . THR 72 552 ? B -9.533 -7.474 54.745 1.000 2 B 25.339 1 ATOM 3171 C CA . THR 72 552 ? B -10.727 -6.710 55.090 1.000 2 B 25.339 1 ATOM 3172 C C . THR 72 552 ? B -11.863 -7.014 54.118 1.000 2 B 25.339 1 ATOM 3173 O O . THR 72 552 ? B -11.656 -7.042 52.903 1.000 2 B 25.339 1 ATOM 3174 C CB . THR 72 552 ? B -10.440 -5.197 55.092 1.000 2 B 25.339 1 ATOM 3175 O OG1 . THR 72 552 ? B -9.544 -4.884 54.019 1.000 2 B 25.339 1 ATOM 3176 C CG2 . THR 72 552 ? B -9.809 -4.758 56.410 1.000 2 B 25.339 1 ATOM 3177 N N . SER 73 553 ? B -12.809 -7.821 54.429 1.000 2 B 24.916 1 ATOM 3178 C CA . SER 73 553 ? B -14.191 -7.802 54.895 1.000 2 B 24.916 1 ATOM 3179 C C . SER 73 553 ? B -15.000 -6.722 54.184 1.000 2 B 24.916 1 ATOM 3180 O O . SER 73 553 ? B -14.584 -5.563 54.127 1.000 2 B 24.916 1 ATOM 3181 C CB . SER 73 553 ? B -14.244 -7.576 56.407 1.000 2 B 24.916 1 ATOM 3182 O OG . SER 73 553 ? B -15.368 -6.787 56.759 1.000 2 B 24.916 1 ATOM 3183 N N . GLU 74 554 ? B -15.769 -7.121 53.187 1.000 2 B 30.273 1 ATOM 3184 C CA . GLU 74 554 ? B -17.107 -6.580 52.964 1.000 2 B 30.273 1 ATOM 3185 C C . GLU 74 554 ? B -18.089 -7.680 52.573 1.000 2 B 30.273 1 ATOM 3186 O O . GLU 74 554 ? B -17.843 -8.432 51.628 1.000 2 B 30.273 1 ATOM 3187 C CB . GLU 74 554 ? B -17.075 -5.495 51.884 1.000 2 B 30.273 1 ATOM 3188 C CG . GLU 74 554 ? B -16.821 -4.096 52.425 1.000 2 B 30.273 1 ATOM 3189 C CD . GLU 74 554 ? B -16.929 -3.013 51.363 1.000 2 B 30.273 1 ATOM 3190 O OE1 . GLU 74 554 ? B -16.880 -1.812 51.713 1.000 2 B 30.273 1 ATOM 3191 O OE2 . GLU 74 554 ? B -17.064 -3.369 50.171 1.000 2 B 30.273 1 ATOM 3192 N N . ASP 75 555 ? B -18.629 -8.490 53.451 1.000 2 B 26.377 1 ATOM 3193 C CA . ASP 75 555 ? B -19.974 -8.962 53.764 1.000 2 B 26.377 1 ATOM 3194 C C . ASP 75 555 ? B -21.033 -8.028 53.183 1.000 2 B 26.377 1 ATOM 3195 O O . ASP 75 555 ? B -21.122 -6.862 53.575 1.000 2 B 26.377 1 ATOM 3196 C CB . ASP 75 555 ? B -20.159 -9.091 55.277 1.000 2 B 26.377 1 ATOM 3197 C CG . ASP 75 555 ? B -20.720 -10.440 55.693 1.000 2 B 26.377 1 ATOM 3198 O OD1 . ASP 75 555 ? B -20.815 -11.350 54.842 1.000 2 B 26.377 1 ATOM 3199 O OD2 . ASP 75 555 ? B -21.072 -10.593 56.883 1.000 2 B 26.377 1 ATOM 3200 N N . GLY 76 556 ? B -21.451 -8.114 51.971 1.000 2 B 31.076 1 ATOM 3201 C CA . GLY 76 556 ? B -22.746 -7.746 51.423 1.000 2 B 31.076 1 ATOM 3202 C C . GLY 76 556 ? B -23.465 -8.906 50.759 1.000 2 B 31.076 1 ATOM 3203 O O . GLY 76 556 ? B -22.843 -9.713 50.065 1.000 2 B 31.076 1 ATOM 3204 N N . LYS 77 557 ? B -24.172 -9.799 51.467 1.000 2 B 26.533 1 ATOM 3205 C CA . LYS 77 557 ? B -25.557 -10.251 51.378 1.000 2 B 26.533 1 ATOM 3206 C C . LYS 77 557 ? B -26.093 -10.106 49.957 1.000 2 B 26.533 1 ATOM 3207 O O . LYS 77 557 ? B -25.982 -9.038 49.352 1.000 2 B 26.533 1 ATOM 3208 C CB . LYS 77 557 ? B -26.440 -9.470 52.353 1.000 2 B 26.533 1 ATOM 3209 C CG . LYS 77 557 ? B -26.683 -10.183 53.675 1.000 2 B 26.533 1 ATOM 3210 C CD . LYS 77 557 ? B -27.643 -9.402 54.563 1.000 2 B 26.533 1 ATOM 3211 C CE . LYS 77 557 ? B -27.858 -10.096 55.902 1.000 2 B 26.533 1 ATOM 3212 N NZ . LYS 77 557 ? B -28.837 -9.360 56.756 1.000 2 B 26.533 1 ATOM 3213 N N . MET 78 558 ? B -26.190 -11.144 49.180 1.000 2 B 25.168 1 ATOM 3214 C CA . MET 78 558 ? B -27.359 -11.465 48.367 1.000 2 B 25.168 1 ATOM 3215 C C . MET 78 558 ? B -27.111 -12.712 47.524 1.000 2 B 25.168 1 ATOM 3216 O O . MET 78 558 ? B -26.120 -12.786 46.795 1.000 2 B 25.168 1 ATOM 3217 C CB . MET 78 558 ? B -27.726 -10.287 47.462 1.000 2 B 25.168 1 ATOM 3218 C CG . MET 78 558 ? B -29.141 -10.355 46.911 1.000 2 B 25.168 1 ATOM 3219 S SD . MET 78 558 ? B -30.351 -9.470 47.969 1.000 2 B 25.168 1 ATOM 3220 C CE . MET 78 558 ? B -31.562 -8.965 46.715 1.000 2 B 25.168 1 ATOM 3221 N N . ASN 79 559 ? B -27.340 -13.889 48.035 1.000 2 B 22.122 1 ATOM 3222 C CA . ASN 79 559 ? B -28.045 -15.130 47.733 1.000 2 B 22.122 1 ATOM 3223 C C . ASN 79 559 ? B -29.211 -14.895 46.777 1.000 2 B 22.122 1 ATOM 3224 O O . ASN 79 559 ? B -30.119 -14.119 47.078 1.000 2 B 22.122 1 ATOM 3225 C CB . ASN 79 559 ? B -28.540 -15.793 49.021 1.000 2 B 22.122 1 ATOM 3226 C CG . ASN 79 559 ? B -29.662 -16.783 48.774 1.000 2 B 22.122 1 ATOM 3227 O OD1 . ASN 79 559 ? B -30.097 -16.975 47.635 1.000 2 B 22.122 1 ATOM 3228 N ND2 . ASN 79 559 ? B -30.137 -17.419 49.838 1.000 2 B 22.122 1 ATOM 3229 N N . VAL 80 560 ? B -29.087 -14.962 45.457 1.000 2 B 26.392 1 ATOM 3230 C CA . VAL 80 560 ? B -30.190 -15.193 44.531 1.000 2 B 26.392 1 ATOM 3231 C C . VAL 80 560 ? B -29.947 -16.482 43.749 1.000 2 B 26.392 1 ATOM 3232 O O . VAL 80 560 ? B -28.885 -16.661 43.149 1.000 2 B 26.392 1 ATOM 3233 C CB . VAL 80 560 ? B -30.372 -14.006 43.558 1.000 2 B 26.392 1 ATOM 3234 C CG1 . VAL 80 560 ? B -31.545 -14.258 42.612 1.000 2 B 26.392 1 ATOM 3235 C CG2 . VAL 80 560 ? B -30.578 -12.707 44.335 1.000 2 B 26.392 1 ATOM 3236 N N . ASN 81 561 ? B -30.325 -17.614 44.292 1.000 2 B 20.849 1 ATOM 3237 C CA . ASN 81 561 ? B -31.100 -18.786 43.901 1.000 2 B 20.849 1 ATOM 3238 C C . ASN 81 561 ? B -32.212 -18.422 42.921 1.000 2 B 20.849 1 ATOM 3239 O O . ASN 81 561 ? B -33.076 -17.601 43.233 1.000 2 B 20.849 1 ATOM 3240 C CB . ASN 81 561 ? B -31.685 -19.479 45.133 1.000 2 B 20.849 1 ATOM 3241 C CG . ASN 81 561 ? B -32.220 -20.865 44.826 1.000 2 B 20.849 1 ATOM 3242 O OD1 . ASN 81 561 ? B -31.866 -21.468 43.810 1.000 2 B 20.849 1 ATOM 3243 N ND2 . ASN 81 561 ? B -33.075 -21.378 45.702 1.000 2 B 20.849 1 ATOM 3244 N N . CYS 82 562 ? B -32.047 -18.643 41.612 1.000 2 B 23.497 1 ATOM 3245 C CA . CYS 82 562 ? B -33.130 -18.715 40.637 1.000 2 B 23.497 1 ATOM 3246 C C . CYS 82 562 ? B -33.282 -20.132 40.095 1.000 2 B 23.497 1 ATOM 3247 O O . CYS 82 562 ? B -32.304 -20.742 39.658 1.000 2 B 23.497 1 ATOM 3248 C CB . CYS 82 562 ? B -32.881 -17.743 39.485 1.000 2 B 23.497 1 ATOM 3249 S SG . CYS 82 562 ? B -33.227 -16.019 39.900 1.000 2 B 23.497 1 ATOM 3250 N N . ASN 83 563 ? B -34.006 -21.033 40.741 1.000 2 B 22.203 1 ATOM 3251 C CA . ASN 83 563 ? B -34.940 -22.073 40.324 1.000 2 B 22.203 1 ATOM 3252 C C . ASN 83 563 ? B -36.282 -21.484 39.898 1.000 2 B 22.203 1 ATOM 3253 O O . ASN 83 563 ? B -36.889 -20.711 40.641 1.000 2 B 22.203 1 ATOM 3254 C CB . ASN 83 563 ? B -35.141 -23.095 41.445 1.000 2 B 22.203 1 ATOM 3255 C CG . ASN 83 563 ? B -33.892 -23.907 41.726 1.000 2 B 22.203 1 ATOM 3256 O OD1 . ASN 83 563 ? B -32.989 -23.990 40.889 1.000 2 B 22.203 1 ATOM 3257 N ND2 . ASN 83 563 ? B -33.829 -24.510 42.908 1.000 2 B 22.203 1 ATOM 3258 N N . SER 84 564 ? B -36.490 -21.581 38.565 1.000 2 B 29.530 1 ATOM 3259 C CA . SER 84 564 ? B -37.846 -21.751 38.052 1.000 2 B 29.530 1 ATOM 3260 C C . SER 84 564 ? B -37.843 -22.479 36.712 1.000 2 B 29.530 1 ATOM 3261 O O . SER 84 564 ? B -37.018 -22.189 35.844 1.000 2 B 29.530 1 ATOM 3262 C CB . SER 84 564 ? B -38.536 -20.394 37.903 1.000 2 B 29.530 1 ATOM 3263 O OG . SER 84 564 ? B -37.610 -19.400 37.502 1.000 2 B 29.530 1 ATOM 3264 N N . VAL 85 565 ? B -38.132 -23.767 36.662 1.000 2 B 23.875 1 ATOM 3265 C CA . VAL 85 565 ? B -39.040 -24.584 35.864 1.000 2 B 23.875 1 ATOM 3266 C C . VAL 85 565 ? B -40.353 -23.836 35.647 1.000 2 B 23.875 1 ATOM 3267 O O . VAL 85 565 ? B -40.876 -23.207 36.569 1.000 2 B 23.875 1 ATOM 3268 C CB . VAL 85 565 ? B -39.309 -25.951 36.531 1.000 2 B 23.875 1 ATOM 3269 C CG1 . VAL 85 565 ? B -40.236 -26.802 35.665 1.000 2 B 23.875 1 ATOM 3270 C CG2 . VAL 85 565 ? B -37.995 -26.684 36.793 1.000 2 B 23.875 1 ATOM 3271 N N . PRO 86 566 ? B -40.914 -24.047 34.354 1.000 2 B 29.769 1 ATOM 3272 C CA . PRO 86 566 ? B -41.935 -24.951 33.819 1.000 2 B 29.769 1 ATOM 3273 C C . PRO 86 566 ? B -41.874 -25.076 32.298 1.000 2 B 29.769 1 ATOM 3274 O O . PRO 86 566 ? B -41.317 -24.204 31.625 1.000 2 B 29.769 1 ATOM 3275 C CB . PRO 86 566 ? B -43.249 -24.301 34.260 1.000 2 B 29.769 1 ATOM 3276 C CG . PRO 86 566 ? B -42.983 -22.831 34.211 1.000 2 B 29.769 1 ATOM 3277 C CD . PRO 86 566 ? B -41.538 -22.619 33.862 1.000 2 B 29.769 1 ATOM 3278 N N . HIS 87 567 ? B -42.164 -26.254 31.663 1.000 2 B 23.835 1 ATOM 3279 C CA . HIS 87 567 ? B -43.424 -26.664 31.053 1.000 2 B 23.835 1 ATOM 3280 C C . HIS 87 567 ? B -43.307 -26.722 29.533 1.000 2 B 23.835 1 ATOM 3281 O O . HIS 87 567 ? B -42.812 -25.782 28.908 1.000 2 B 23.835 1 ATOM 3282 C CB . HIS 87 567 ? B -44.550 -25.710 31.456 1.000 2 B 23.835 1 ATOM 3283 C CG . HIS 87 567 ? B -45.731 -26.399 32.062 1.000 2 B 23.835 1 ATOM 3284 N ND1 . HIS 87 567 ? B -46.411 -27.413 31.421 1.000 2 B 23.835 1 ATOM 3285 C CD2 . HIS 87 567 ? B -46.351 -26.220 33.252 1.000 2 B 23.835 1 ATOM 3286 C CE1 . HIS 87 567 ? B -47.401 -27.828 32.194 1.000 2 B 23.835 1 ATOM 3287 N NE2 . HIS 87 567 ? B -47.386 -27.120 33.310 1.000 2 B 23.835 1 ATOM 3288 N N . VAL 88 568 ? B -43.493 -27.945 28.842 1.000 2 B 20.940 1 ATOM 3289 C CA . VAL 88 568 ? B -44.436 -28.707 28.031 1.000 2 B 20.940 1 ATOM 3290 C C . VAL 88 568 ? B -44.587 -28.053 26.660 1.000 2 B 20.940 1 ATOM 3291 O O . VAL 88 568 ? B -44.765 -26.837 26.561 1.000 2 B 20.940 1 ATOM 3292 C CB . VAL 88 568 ? B -45.814 -28.822 28.721 1.000 2 B 20.940 1 ATOM 3293 C CG1 . VAL 88 568 ? B -46.802 -29.577 27.833 1.000 2 B 20.940 1 ATOM 3294 C CG2 . VAL 88 568 ? B -45.676 -29.510 30.078 1.000 2 B 20.940 1 ATOM 3295 N N . SER 89 569 ? B -44.370 -28.905 25.501 1.000 2 B 29.406 1 ATOM 3296 C CA . SER 89 569 ? B -45.259 -29.139 24.368 1.000 2 B 29.406 1 ATOM 3297 C C . SER 89 569 ? B -44.565 -29.949 23.278 1.000 2 B 29.406 1 ATOM 3298 O O . SER 89 569 ? B -43.399 -29.703 22.962 1.000 2 B 29.406 1 ATOM 3299 C CB . SER 89 569 ? B -45.754 -27.812 23.791 1.000 2 B 29.406 1 ATOM 3300 O OG . SER 89 569 ? B -44.663 -26.988 23.418 1.000 2 B 29.406 1 ATOM 3301 N N . LYS 90 570 ? B -44.904 -31.221 22.955 1.000 2 B 25.201 1 ATOM 3302 C CA . LYS 90 570 ? B -45.584 -32.067 21.978 1.000 2 B 25.201 1 ATOM 3303 C C . LYS 90 570 ? B -45.249 -31.638 20.553 1.000 2 B 25.201 1 ATOM 3304 O O . LYS 90 570 ? B -45.422 -30.472 20.192 1.000 2 B 25.201 1 ATOM 3305 C CB . LYS 90 570 ? B -47.097 -32.028 22.195 1.000 2 B 25.201 1 ATOM 3306 C CG . LYS 90 570 ? B -47.604 -33.041 23.211 1.000 2 B 25.201 1 ATOM 3307 C CD . LYS 90 570 ? B -49.125 -33.106 23.225 1.000 2 B 25.201 1 ATOM 3308 C CE . LYS 90 570 ? B -49.634 -34.102 24.259 1.000 2 B 25.201 1 ATOM 3309 N NZ . LYS 90 570 ? B -51.124 -34.200 24.248 1.000 2 B 25.201 1 ATOM 3310 N N . GLU 91 571 ? B -44.468 -32.391 19.751 1.000 2 B 29.060 1 ATOM 3311 C CA . GLU 91 571 ? B -44.682 -32.699 18.340 1.000 2 B 29.060 1 ATOM 3312 C C . GLU 91 571 ? B -43.703 -33.763 17.853 1.000 2 B 29.060 1 ATOM 3313 O O . GLU 91 571 ? B -42.501 -33.672 18.111 1.000 2 B 29.060 1 ATOM 3314 C CB . GLU 91 571 ? B -44.552 -31.434 17.488 1.000 2 B 29.060 1 ATOM 3315 C CG . GLU 91 571 ? B -45.869 -30.952 16.898 1.000 2 B 29.060 1 ATOM 3316 C CD . GLU 91 571 ? B -45.751 -29.620 16.174 1.000 2 B 29.060 1 ATOM 3317 O OE1 . GLU 91 571 ? B -46.776 -29.113 15.664 1.000 2 B 29.060 1 ATOM 3318 O OE2 . GLU 91 571 ? B -44.623 -29.081 16.114 1.000 2 B 29.060 1 ATOM 3319 N N . ARG 92 572 ? B -44.028 -35.061 17.727 1.000 2 B 22.602 1 ATOM 3320 C CA . ARG 92 572 ? B -44.262 -36.137 16.768 1.000 2 B 22.602 1 ATOM 3321 C C . ARG 92 572 ? B -43.505 -35.886 15.468 1.000 2 B 22.602 1 ATOM 3322 O O . ARG 92 572 ? B -43.669 -34.838 14.840 1.000 2 B 22.602 1 ATOM 3323 C CB . ARG 92 572 ? B -45.758 -36.286 16.482 1.000 2 B 22.602 1 ATOM 3324 C CG . ARG 92 572 ? B -46.122 -37.575 15.762 1.000 2 B 22.602 1 ATOM 3325 C CD . ARG 92 572 ? B -47.626 -37.710 15.573 1.000 2 B 22.602 1 ATOM 3326 N NE . ARG 92 572 ? B -48.146 -38.908 16.227 1.000 2 B 22.602 1 ATOM 3327 C CZ . ARG 92 572 ? B -49.419 -39.292 16.203 1.000 2 B 22.602 1 ATOM 3328 N NH1 . ARG 92 572 ? B -50.332 -38.576 15.555 1.000 2 B 22.602 1 ATOM 3329 N NH2 . ARG 92 572 ? B -49.784 -40.399 16.832 1.000 2 B 22.602 1 ATOM 3330 N N . ILE 93 573 ? B -42.312 -36.449 15.229 1.000 2 B 31.453 1 ATOM 3331 C CA . ILE 93 573 ? B -41.795 -37.011 13.986 1.000 2 B 31.453 1 ATOM 3332 C C . ILE 93 573 ? B -40.683 -38.011 14.295 1.000 2 B 31.453 1 ATOM 3333 O O . ILE 93 573 ? B -39.763 -37.709 15.058 1.000 2 B 31.453 1 ATOM 3334 C CB . ILE 93 573 ? B -41.274 -35.906 13.039 1.000 2 B 31.453 1 ATOM 3335 C CG1 . ILE 93 573 ? B -42.425 -34.991 12.603 1.000 2 B 31.453 1 ATOM 3336 C CG2 . ILE 93 573 ? B -40.573 -36.521 11.825 1.000 2 B 31.453 1 ATOM 3337 C CD1 . ILE 93 573 ? B -41.983 -33.796 11.769 1.000 2 B 31.453 1 ATOM 3338 N N . GLN 94 574 ? B -40.922 -39.311 14.327 1.000 2 B 20.981 1 ATOM 3339 C CA . GLN 94 574 ? B -40.566 -40.636 13.832 1.000 2 B 20.981 1 ATOM 3340 C C . GLN 94 574 ? B -39.461 -40.553 12.782 1.000 2 B 20.981 1 ATOM 3341 O O . GLN 94 574 ? B -39.572 -39.797 11.815 1.000 2 B 20.981 1 ATOM 3342 C CB . GLN 94 574 ? B -41.793 -41.339 13.248 1.000 2 B 20.981 1 ATOM 3343 C CG . GLN 94 574 ? B -42.306 -42.491 14.102 1.000 2 B 20.981 1 ATOM 3344 C CD . GLN 94 574 ? B -43.571 -43.116 13.544 1.000 2 B 20.981 1 ATOM 3345 O OE1 . GLN 94 574 ? B -44.194 -42.575 12.626 1.000 2 B 20.981 1 ATOM 3346 N NE2 . GLN 94 574 ? B -43.958 -44.262 14.095 1.000 2 B 20.981 1 ATOM 3347 N N . GLN 95 575 ? B -38.219 -40.991 13.069 1.000 2 B 31.086 1 ATOM 3348 C CA . GLN 95 575 ? B -37.406 -41.885 12.251 1.000 2 B 31.086 1 ATOM 3349 C C . GLN 95 575 ? B -36.086 -42.216 12.944 1.000 2 B 31.086 1 ATOM 3350 O O . GLN 95 575 ? B -35.365 -41.316 13.378 1.000 2 B 31.086 1 ATOM 3351 C CB . GLN 95 575 ? B -37.137 -41.264 10.880 1.000 2 B 31.086 1 ATOM 3352 C CG . GLN 95 575 ? B -38.095 -41.735 9.793 1.000 2 B 31.086 1 ATOM 3353 C CD . GLN 95 575 ? B -37.891 -41.010 8.476 1.000 2 B 31.086 1 ATOM 3354 O OE1 . GLN 95 575 ? B -37.000 -40.164 8.350 1.000 2 B 31.086 1 ATOM 3355 N NE2 . GLN 95 575 ? B -38.716 -41.335 7.487 1.000 2 B 31.086 1 ATOM 3356 N N . SER 96 576 ? B -35.923 -43.325 13.687 1.000 2 B 23.752 1 ATOM 3357 C CA . SER 96 576 ? B -35.255 -44.621 13.623 1.000 2 B 23.752 1 ATOM 3358 C C . SER 96 576 ? B -33.749 -44.458 13.446 1.000 2 B 23.752 1 ATOM 3359 O O . SER 96 576 ? B -33.298 -43.636 12.646 1.000 2 B 23.752 1 ATOM 3360 C CB . SER 96 576 ? B -35.823 -45.462 12.479 1.000 2 B 23.752 1 ATOM 3361 O OG . SER 96 576 ? B -35.432 -44.932 11.224 1.000 2 B 23.752 1 ATOM 3362 N N . LEU 97 577 ? B -32.913 -44.772 14.419 1.000 2 B 24.960 1 ATOM 3363 C CA . LEU 97 577 ? B -31.946 -45.823 14.713 1.000 2 B 24.960 1 ATOM 3364 C C . LEU 97 577 ? B -30.563 -45.234 14.969 1.000 2 B 24.960 1 ATOM 3365 O O . LEU 97 577 ? B -30.064 -44.440 14.168 1.000 2 B 24.960 1 ATOM 3366 C CB . LEU 97 577 ? B -31.880 -46.829 13.561 1.000 2 B 24.960 1 ATOM 3367 C CG . LEU 97 577 ? B -32.814 -48.037 13.661 1.000 2 B 24.960 1 ATOM 3368 C CD1 . LEU 97 577 ? B -33.503 -48.286 12.323 1.000 2 B 24.960 1 ATOM 3369 C CD2 . LEU 97 577 ? B -32.044 -49.273 14.110 1.000 2 B 24.960 1 ATOM 3370 N N . SER 98 578 ? B -30.084 -45.213 16.229 1.000 2 B 31.022 1 ATOM 3371 C CA . SER 98 578 ? B -28.921 -45.913 16.765 1.000 2 B 31.022 1 ATOM 3372 C C . SER 98 578 ? B -28.272 -45.121 17.896 1.000 2 B 31.022 1 ATOM 3373 O O . SER 98 578 ? B -27.995 -43.929 17.746 1.000 2 B 31.022 1 ATOM 3374 C CB . SER 98 578 ? B -27.896 -46.174 15.661 1.000 2 B 31.022 1 ATOM 3375 O OG . SER 98 578 ? B -27.721 -45.023 14.854 1.000 2 B 31.022 1 ATOM 3376 N N . ASN 99 579 ? B -28.670 -45.240 19.148 1.000 2 B 24.110 1 ATOM 3377 C CA . ASN 99 579 ? B -28.072 -45.389 20.471 1.000 2 B 24.110 1 ATOM 3378 C C . ASN 99 579 ? B -26.653 -45.943 20.386 1.000 2 B 24.110 1 ATOM 3379 O O . ASN 99 579 ? B -26.376 -46.832 19.579 1.000 2 B 24.110 1 ATOM 3380 C CB . ASN 99 579 ? B -28.941 -46.288 21.354 1.000 2 B 24.110 1 ATOM 3381 C CG . ASN 99 579 ? B -29.862 -45.498 22.263 1.000 2 B 24.110 1 ATOM 3382 O OD1 . ASN 99 579 ? B -29.826 -44.265 22.285 1.000 2 B 24.110 1 ATOM 3383 N ND2 . ASN 99 579 ? B -30.696 -46.203 23.019 1.000 2 B 24.110 1 ATOM 3384 N N . PRO 100 580 ? B -25.735 -45.529 21.285 1.000 2 B 33.742 1 ATOM 3385 C CA . PRO 100 580 ? B -25.759 -45.585 22.749 1.000 2 B 33.742 1 ATOM 3386 C C . PRO 100 580 ? B -24.899 -44.501 23.395 1.000 2 B 33.742 1 ATOM 3387 O O . PRO 100 580 ? B -24.050 -43.903 22.730 1.000 2 B 33.742 1 ATOM 3388 C CB . PRO 100 580 ? B -25.204 -46.978 23.057 1.000 2 B 33.742 1 ATOM 3389 C CG . PRO 100 580 ? B -24.193 -47.232 21.986 1.000 2 B 33.742 1 ATOM 3390 C CD . PRO 100 580 ? B -24.235 -46.092 21.009 1.000 2 B 33.742 1 ATOM 3391 N N . LEU 101 581 ? B -25.435 -43.776 24.313 1.000 2 B 27.986 1 ATOM 3392 C CA . LEU 101 581 ? B -25.036 -43.722 25.715 1.000 2 B 27.986 1 ATOM 3393 C C . LEU 101 581 ? B -24.831 -42.280 26.166 1.000 2 B 27.986 1 ATOM 3394 O O . LEU 101 581 ? B -24.078 -41.530 25.541 1.000 2 B 27.986 1 ATOM 3395 C CB . LEU 101 581 ? B -23.753 -44.526 25.940 1.000 2 B 27.986 1 ATOM 3396 C CG . LEU 101 581 ? B -23.926 -46.028 26.172 1.000 2 B 27.986 1 ATOM 3397 C CD1 . LEU 101 581 ? B -22.676 -46.781 25.730 1.000 2 B 27.986 1 ATOM 3398 C CD2 . LEU 101 581 ? B -24.236 -46.311 27.638 1.000 2 B 27.986 1 ATOM 3399 N N . SER 102 582 ? B -25.775 -41.673 26.814 1.000 2 B 22.292 1 ATOM 3400 C CA . SER 102 582 ? B -26.161 -41.188 28.135 1.000 2 B 22.292 1 ATOM 3401 C C . SER 102 582 ? B -24.939 -40.779 28.951 1.000 2 B 22.292 1 ATOM 3402 O O . SER 102 582 ? B -23.925 -41.480 28.954 1.000 2 B 22.292 1 ATOM 3403 C CB . SER 102 582 ? B -26.953 -42.257 28.888 1.000 2 B 22.292 1 ATOM 3404 O OG . SER 102 582 ? B -26.359 -43.534 28.723 1.000 2 B 22.292 1 ATOM 3405 N N . ILE 103 583 ? B -24.794 -39.522 29.318 1.000 2 B 28.563 1 ATOM 3406 C CA . ILE 103 583 ? B -24.597 -39.086 30.696 1.000 2 B 28.563 1 ATOM 3407 C C . ILE 103 583 ? B -24.511 -37.562 30.747 1.000 2 B 28.563 1 ATOM 3408 O O . ILE 103 583 ? B -23.738 -36.953 30.004 1.000 2 B 28.563 1 ATOM 3409 C CB . ILE 103 583 ? B -23.329 -39.716 31.313 1.000 2 B 28.563 1 ATOM 3410 C CG1 . ILE 103 583 ? B -23.525 -41.223 31.516 1.000 2 B 28.563 1 ATOM 3411 C CG2 . ILE 103 583 ? B -22.972 -39.028 32.634 1.000 2 B 28.563 1 ATOM 3412 C CD1 . ILE 103 583 ? B -22.230 -41.992 31.737 1.000 2 B 28.563 1 ATOM 3413 N N . SER 104 584 ? B -25.546 -36.842 30.962 1.000 2 B 21.852 1 ATOM 3414 C CA . SER 104 584 ? B -26.064 -35.877 31.926 1.000 2 B 21.852 1 ATOM 3415 C C . SER 104 584 ? B -25.149 -35.763 33.141 1.000 2 B 21.852 1 ATOM 3416 O O . SER 104 584 ? B -24.597 -36.763 33.604 1.000 2 B 21.852 1 ATOM 3417 C CB . SER 104 584 ? B -27.473 -36.268 32.374 1.000 2 B 21.852 1 ATOM 3418 O OG . SER 104 584 ? B -27.440 -37.436 33.175 1.000 2 B 21.852 1 ATOM 3419 N N . LEU 105 585 ? B -24.551 -34.597 33.437 1.000 2 B 25.854 1 ATOM 3420 C CA . LEU 105 585 ? B -24.507 -33.995 34.765 1.000 2 B 25.854 1 ATOM 3421 C C . LEU 105 585 ? B -23.607 -32.764 34.775 1.000 2 B 25.854 1 ATOM 3422 O O . LEU 105 585 ? B -22.471 -32.817 34.299 1.000 2 B 25.854 1 ATOM 3423 C CB . LEU 105 585 ? B -24.013 -35.010 35.799 1.000 2 B 25.854 1 ATOM 3424 C CG . LEU 105 585 ? B -25.092 -35.776 36.567 1.000 2 B 25.854 1 ATOM 3425 C CD1 . LEU 105 585 ? B -24.575 -37.150 36.979 1.000 2 B 25.854 1 ATOM 3426 C CD2 . LEU 105 585 ? B -25.545 -34.981 37.787 1.000 2 B 25.854 1 ATOM 3427 N N . THR 106 586 ? B -24.123 -31.545 34.798 1.000 2 B 21.610 1 ATOM 3428 C CA . THR 106 586 ? B -24.216 -30.456 35.765 1.000 2 B 21.610 1 ATOM 3429 C C . THR 106 586 ? B -22.866 -30.209 36.432 1.000 2 B 21.610 1 ATOM 3430 O O . THR 106 586 ? B -22.185 -31.153 36.836 1.000 2 B 21.610 1 ATOM 3431 C CB . THR 106 586 ? B -25.276 -30.753 36.841 1.000 2 B 21.610 1 ATOM 3432 O OG1 . THR 106 586 ? B -25.216 -32.141 37.192 1.000 2 B 21.610 1 ATOM 3433 C CG2 . THR 106 586 ? B -26.678 -30.429 36.336 1.000 2 B 21.610 1 ATOM 3434 N N . ASP 107 587 ? B -22.153 -29.108 36.192 1.000 2 B 26.122 1 ATOM 3435 C CA . ASP 107 587 ? B -21.691 -27.996 37.018 1.000 2 B 26.122 1 ATOM 3436 C C . ASP 107 587 ? B -20.191 -28.096 37.284 1.000 2 B 26.122 1 ATOM 3437 O O . ASP 107 587 ? B -19.722 -29.078 37.862 1.000 2 B 26.122 1 ATOM 3438 C CB . ASP 107 587 ? B -22.459 -27.954 38.341 1.000 2 B 26.122 1 ATOM 3439 C CG . ASP 107 587 ? B -23.714 -27.103 38.271 1.000 2 B 26.122 1 ATOM 3440 O OD1 . ASP 107 587 ? B -23.843 -26.280 37.339 1.000 2 B 26.122 1 ATOM 3441 O OD2 . ASP 107 587 ? B -24.582 -27.254 39.159 1.000 2 B 26.122 1 ATOM 3442 N N . ARG 108 588 ? B -19.265 -27.383 36.571 1.000 2 B 27.105 1 ATOM 3443 C CA . ARG 108 588 ? B -18.096 -26.824 37.242 1.000 2 B 27.105 1 ATOM 3444 C C . ARG 108 588 ? B -17.133 -26.201 36.237 1.000 2 B 27.105 1 ATOM 3445 O O . ARG 108 588 ? B -16.774 -26.831 35.240 1.000 2 B 27.105 1 ATOM 3446 C CB . ARG 108 588 ? B -17.377 -27.901 38.057 1.000 2 B 27.105 1 ATOM 3447 C CG . ARG 108 588 ? B -16.560 -27.354 39.217 1.000 2 B 27.105 1 ATOM 3448 C CD . ARG 108 588 ? B -15.851 -28.464 39.981 1.000 2 B 27.105 1 ATOM 3449 N NE . ARG 108 588 ? B -14.988 -27.930 41.030 1.000 2 B 27.105 1 ATOM 3450 C CZ . ARG 108 588 ? B -14.325 -28.669 41.915 1.000 2 B 27.105 1 ATOM 3451 N NH1 . ARG 108 588 ? B -14.413 -29.994 41.895 1.000 2 B 27.105 1 ATOM 3452 N NH2 . ARG 108 588 ? B -13.566 -28.079 42.828 1.000 2 B 27.105 1 ATOM 3453 N N . LYS 109 589 ? B -17.131 -24.886 35.925 1.000 2 B 26.840 1 ATOM 3454 C CA . LYS 109 589 ? B -16.107 -23.853 36.050 1.000 2 B 26.840 1 ATOM 3455 C C . LYS 109 589 ? B -15.172 -23.857 34.844 1.000 2 B 26.840 1 ATOM 3456 O O . LYS 109 589 ? B -14.623 -24.899 34.480 1.000 2 B 26.840 1 ATOM 3457 C CB . LYS 109 589 ? B -15.303 -24.048 37.336 1.000 2 B 26.840 1 ATOM 3458 C CG . LYS 109 589 ? B -14.578 -22.796 37.809 1.000 2 B 26.840 1 ATOM 3459 C CD . LYS 109 589 ? B -13.902 -23.016 39.156 1.000 2 B 26.840 1 ATOM 3460 C CE . LYS 109 589 ? B -13.205 -21.754 39.646 1.000 2 B 26.840 1 ATOM 3461 N NZ . LYS 109 589 ? B -12.636 -21.931 41.015 1.000 2 B 26.840 1 ATOM 3462 N N . THR 110 590 ? B -15.468 -23.091 33.809 1.000 2 B 23.124 1 ATOM 3463 C CA . THR 110 590 ? B -14.859 -22.228 32.802 1.000 2 B 23.124 1 ATOM 3464 C C . THR 110 590 ? B -13.369 -22.045 33.076 1.000 2 B 23.124 1 ATOM 3465 O O . THR 110 590 ? B -12.981 -21.613 34.164 1.000 2 B 23.124 1 ATOM 3466 C CB . THR 110 590 ? B -15.548 -20.852 32.754 1.000 2 B 23.124 1 ATOM 3467 O OG1 . THR 110 590 ? B -16.944 -21.013 33.038 1.000 2 B 23.124 1 ATOM 3468 C CG2 . THR 110 590 ? B -15.391 -20.206 31.382 1.000 2 B 23.124 1 ATOM 3469 N N . GLU 111 591 ? B -12.538 -23.016 32.834 1.000 2 B 25.976 1 ATOM 3470 C CA . GLU 111 591 ? B -11.089 -22.927 32.675 1.000 2 B 25.976 1 ATOM 3471 C C . GLU 111 591 ? B -10.701 -22.823 31.203 1.000 2 B 25.976 1 ATOM 3472 O O . GLU 111 591 ? B -11.196 -23.584 30.370 1.000 2 B 25.976 1 ATOM 3473 C CB . GLU 111 591 ? B -10.402 -24.136 33.317 1.000 2 B 25.976 1 ATOM 3474 C CG . GLU 111 591 ? B -10.023 -23.925 34.775 1.000 2 B 25.976 1 ATOM 3475 C CD . GLU 111 591 ? B -9.040 -24.962 35.295 1.000 2 B 25.976 1 ATOM 3476 O OE1 . GLU 111 591 ? B -8.560 -24.822 36.443 1.000 2 B 25.976 1 ATOM 3477 O OE2 . GLU 111 591 ? B -8.747 -25.922 34.548 1.000 2 B 25.976 1 ATOM 3478 N N . LEU 112 592 ? B -10.512 -21.595 30.649 1.000 2 B 23.791 1 ATOM 3479 C CA . LEU 112 592 ? B -9.594 -20.914 29.743 1.000 2 B 23.791 1 ATOM 3480 C C . LEU 112 592 ? B -8.791 -21.919 28.925 1.000 2 B 23.791 1 ATOM 3481 O O . LEU 112 592 ? B -8.041 -22.722 29.484 1.000 2 B 23.791 1 ATOM 3482 C CB . LEU 112 592 ? B -8.646 -20.002 30.527 1.000 2 B 23.791 1 ATOM 3483 C CG . LEU 112 592 ? B -8.865 -18.497 30.368 1.000 2 B 23.791 1 ATOM 3484 C CD1 . LEU 112 592 ? B -8.662 -17.788 31.702 1.000 2 B 23.791 1 ATOM 3485 C CD2 . LEU 112 592 ? B -7.929 -17.929 29.306 1.000 2 B 23.791 1 ATOM 3486 N N . LEU 113 593 ? B -9.320 -22.544 27.925 1.000 2 B 26.420 1 ATOM 3487 C CA . LEU 113 593 ? B -8.818 -23.387 26.845 1.000 2 B 26.420 1 ATOM 3488 C C . LEU 113 593 ? B -7.747 -22.658 26.039 1.000 2 B 26.420 1 ATOM 3489 O O . LEU 113 593 ? B -7.959 -21.526 25.599 1.000 2 B 26.420 1 ATOM 3490 C CB . LEU 113 593 ? B -9.962 -23.817 25.924 1.000 2 B 26.420 1 ATOM 3491 C CG . LEU 113 593 ? B -10.860 -24.943 26.438 1.000 2 B 26.420 1 ATOM 3492 C CD1 . LEU 113 593 ? B -12.187 -24.948 25.686 1.000 2 B 26.420 1 ATOM 3493 C CD2 . LEU 113 593 ? B -10.158 -26.290 26.305 1.000 2 B 26.420 1 ATOM 3494 N N . SER 114 594 ? B -6.514 -22.618 26.467 1.000 2 B 27.808 1 ATOM 3495 C CA . SER 114 594 ? B -5.200 -22.703 25.838 1.000 2 B 27.808 1 ATOM 3496 C C . SER 114 594 ? B -5.301 -23.249 24.418 1.000 2 B 27.808 1 ATOM 3497 O O . SER 114 594 ? B -5.879 -24.315 24.197 1.000 2 B 27.808 1 ATOM 3498 C CB . SER 114 594 ? B -4.265 -23.584 26.667 1.000 2 B 27.808 1 ATOM 3499 O OG . SER 114 594 ? B -4.603 -24.953 26.521 1.000 2 B 27.808 1 ATOM 3500 N N . GLY 115 595 ? B -5.635 -22.419 23.433 1.000 2 B 30.262 1 ATOM 3501 C CA . GLY 115 595 ? B -5.422 -22.198 22.011 1.000 2 B 30.262 1 ATOM 3502 C C . GLY 115 595 ? B -4.574 -23.274 21.360 1.000 2 B 30.262 1 ATOM 3503 O O . GLY 115 595 ? B -3.397 -23.429 21.691 1.000 2 B 30.262 1 ATOM 3504 N N . GLU 116 596 ? B -4.968 -24.510 21.368 1.000 2 B 31.540 1 ATOM 3505 C CA . GLU 116 596 ? B -4.590 -25.658 20.549 1.000 2 B 31.540 1 ATOM 3506 C C . GLU 116 596 ? B -4.389 -25.253 19.091 1.000 2 B 31.540 1 ATOM 3507 O O . GLU 116 596 ? B -5.239 -24.581 18.505 1.000 2 B 31.540 1 ATOM 3508 C CB . GLU 116 596 ? B -5.649 -26.760 20.647 1.000 2 B 31.540 1 ATOM 3509 C CG . GLU 116 596 ? B -5.473 -27.676 21.849 1.000 2 B 31.540 1 ATOM 3510 C CD . GLU 116 596 ? B -6.509 -28.787 21.913 1.000 2 B 31.540 1 ATOM 3511 O OE1 . GLU 116 596 ? B -6.386 -29.682 22.780 1.000 2 B 31.540 1 ATOM 3512 O OE2 . GLU 116 596 ? B -7.450 -28.763 21.089 1.000 2 B 31.540 1 ATOM 3513 N N . ASN 117 597 ? B -3.178 -24.768 18.642 1.000 2 B 32.247 1 ATOM 3514 C CA . ASN 117 597 ? B -2.216 -24.892 17.552 1.000 2 B 32.247 1 ATOM 3515 C C . ASN 117 597 ? B -2.829 -25.589 16.340 1.000 2 B 32.247 1 ATOM 3516 O O . ASN 117 597 ? B -3.067 -26.798 16.369 1.000 2 B 32.247 1 ATOM 3517 C CB . ASN 117 597 ? B -0.967 -25.642 18.020 1.000 2 B 32.247 1 ATOM 3518 C CG . ASN 117 597 ? B 0.312 -24.879 17.738 1.000 2 B 32.247 1 ATOM 3519 O OD1 . ASN 117 597 ? B 0.297 -23.844 17.067 1.000 2 B 32.247 1 ATOM 3520 N ND2 . ASN 117 597 ? B 1.429 -25.385 18.248 1.000 2 B 32.247 1 ATOM 3521 N N . MET 118 598 ? B -3.844 -25.061 15.637 1.000 2 B 33.053 1 ATOM 3522 C CA . MET 118 598 ? B -4.355 -25.547 14.359 1.000 2 B 33.053 1 ATOM 3523 C C . MET 118 598 ? B -3.334 -25.332 13.247 1.000 2 B 33.053 1 ATOM 3524 O O . MET 118 598 ? B -2.913 -24.201 12.995 1.000 2 B 33.053 1 ATOM 3525 C CB . MET 118 598 ? B -5.670 -24.850 14.004 1.000 2 B 33.053 1 ATOM 3526 C CG . MET 118 598 ? B -6.898 -25.515 14.604 1.000 2 B 33.053 1 ATOM 3527 S SD . MET 118 598 ? B -7.790 -26.566 13.393 1.000 2 B 33.053 1 ATOM 3528 C CE . MET 118 598 ? B -9.058 -25.397 12.828 1.000 2 B 33.053 1 ATOM 3529 N N . ASP 119 599 ? B -2.200 -26.018 13.122 1.000 2 B 30.364 1 ATOM 3530 C CA . ASP 119 599 ? B -1.162 -26.166 12.106 1.000 2 B 30.364 1 ATOM 3531 C C . ASP 119 599 ? B -1.772 -26.444 10.734 1.000 2 B 30.364 1 ATOM 3532 O O . ASP 119 599 ? B -2.415 -27.476 10.533 1.000 2 B 30.364 1 ATOM 3533 C CB . ASP 119 599 ? B -0.192 -27.286 12.488 1.000 2 B 30.364 1 ATOM 3534 C CG . ASP 119 599 ? B 1.239 -26.804 12.643 1.000 2 B 30.364 1 ATOM 3535 O OD1 . ASP 119 599 ? B 1.521 -25.623 12.346 1.000 2 B 30.364 1 ATOM 3536 O OD2 . ASP 119 599 ? B 2.094 -27.614 13.063 1.000 2 B 30.364 1 ATOM 3537 N N . LEU 120 600 ? B -2.387 -25.490 9.944 1.000 2 B 33.399 1 ATOM 3538 C CA . LEU 120 600 ? B -2.857 -25.641 8.572 1.000 2 B 33.399 1 ATOM 3539 C C . LEU 120 600 ? B -1.684 -25.789 7.608 1.000 2 B 33.399 1 ATOM 3540 O O . LEU 120 600 ? B -1.875 -25.809 6.390 1.000 2 B 33.399 1 ATOM 3541 C CB . LEU 120 600 ? B -3.719 -24.442 8.165 1.000 2 B 33.399 1 ATOM 3542 C CG . LEU 120 600 ? B -5.036 -24.266 8.922 1.000 2 B 33.399 1 ATOM 3543 C CD1 . LEU 120 600 ? B -5.657 -22.912 8.596 1.000 2 B 33.399 1 ATOM 3544 C CD2 . LEU 120 600 ? B -6.001 -25.398 8.588 1.000 2 B 33.399 1 ATOM 3545 N N . THR 121 601 ? B -0.598 -26.708 7.887 1.000 2 B 29.298 1 ATOM 3546 C CA . THR 121 601 ? B 0.437 -27.000 6.901 1.000 2 B 29.298 1 ATOM 3547 C C . THR 121 601 ? B 0.260 -28.405 6.331 1.000 2 B 29.298 1 ATOM 3548 O O . THR 121 601 ? B 0.402 -29.395 7.052 1.000 2 B 29.298 1 ATOM 3549 C CB . THR 121 601 ? B 1.844 -26.863 7.510 1.000 2 B 29.298 1 ATOM 3550 O OG1 . THR 121 601 ? B 1.757 -27.002 8.934 1.000 2 B 29.298 1 ATOM 3551 C CG2 . THR 121 601 ? B 2.457 -25.506 7.180 1.000 2 B 29.298 1 ATOM 3552 N N . GLU 122 602 ? B -0.897 -28.905 5.836 1.000 2 B 27.431 1 ATOM 3553 C CA . GLU 122 602 ? B -0.776 -30.132 5.054 1.000 2 B 27.431 1 ATOM 3554 C C . GLU 122 602 ? B -0.806 -29.837 3.557 1.000 2 B 27.431 1 ATOM 3555 O O . GLU 122 602 ? B -1.728 -29.181 3.067 1.000 2 B 27.431 1 ATOM 3556 C CB . GLU 122 602 ? B -1.892 -31.114 5.419 1.000 2 B 27.431 1 ATOM 3557 C CG . GLU 122 602 ? B -1.538 -32.571 5.158 1.000 2 B 27.431 1 ATOM 3558 C CD . GLU 122 602 ? B -2.660 -33.534 5.511 1.000 2 B 27.431 1 ATOM 3559 O OE1 . GLU 122 602 ? B -2.515 -34.752 5.264 1.000 2 B 27.431 1 ATOM 3560 O OE2 . GLU 122 602 ? B -3.694 -33.065 6.039 1.000 2 B 27.431 1 ATOM 3561 N N . SER 123 603 ? B 0.261 -29.317 2.912 1.000 2 B 25.313 1 ATOM 3562 C CA . SER 123 603 ? B 0.585 -29.099 1.506 1.000 2 B 25.313 1 ATOM 3563 C C . SER 123 603 ? B 0.564 -30.409 0.725 1.000 2 B 25.313 1 ATOM 3564 O O . SER 123 603 ? B 0.958 -31.455 1.245 1.000 2 B 25.313 1 ATOM 3565 C CB . SER 123 603 ? B 1.956 -28.437 1.369 1.000 2 B 25.313 1 ATOM 3566 O OG . SER 123 603 ? B 2.965 -29.240 1.957 1.000 2 B 25.313 1 ATOM 3567 N N . HIS 124 604 ? B -0.421 -30.724 -0.123 1.000 2 B 26.495 1 ATOM 3568 C CA . HIS 124 604 ? B -0.314 -31.643 -1.251 1.000 2 B 26.495 1 ATOM 3569 C C . HIS 124 604 ? B 0.714 -31.153 -2.265 1.000 2 B 26.495 1 ATOM 3570 O O . HIS 124 604 ? B 0.644 -30.011 -2.724 1.000 2 B 26.495 1 ATOM 3571 C CB . HIS 124 604 ? B -1.675 -31.822 -1.927 1.000 2 B 26.495 1 ATOM 3572 C CG . HIS 124 604 ? B -2.667 -32.567 -1.092 1.000 2 B 26.495 1 ATOM 3573 N ND1 . HIS 124 604 ? B -2.478 -33.876 -0.703 1.000 2 B 26.495 1 ATOM 3574 C CD2 . HIS 124 604 ? B -3.856 -32.184 -0.571 1.000 2 B 26.495 1 ATOM 3575 C CE1 . HIS 124 604 ? B -3.512 -34.266 0.023 1.000 2 B 26.495 1 ATOM 3576 N NE2 . HIS 124 604 ? B -4.362 -33.258 0.119 1.000 2 B 26.495 1 ATOM 3577 N N . THR 125 605 ? B 2.045 -31.181 -2.070 1.000 2 B 28.554 1 ATOM 3578 C CA . THR 125 605 ? B 3.070 -31.113 -3.106 1.000 2 B 28.554 1 ATOM 3579 C C . THR 125 605 ? B 2.897 -32.247 -4.113 1.000 2 B 28.554 1 ATOM 3580 O O . THR 125 605 ? B 2.816 -33.416 -3.731 1.000 2 B 28.554 1 ATOM 3581 C CB . THR 125 605 ? B 4.483 -31.174 -2.498 1.000 2 B 28.554 1 ATOM 3582 O OG1 . THR 125 605 ? B 4.548 -30.298 -1.366 1.000 2 B 28.554 1 ATOM 3583 C CG2 . THR 125 605 ? B 5.538 -30.751 -3.515 1.000 2 B 28.554 1 ATOM 3584 N N . SER 126 606 ? B 1.880 -32.353 -5.002 1.000 2 B 23.551 1 ATOM 3585 C CA . SER 126 606 ? B 1.844 -33.370 -6.048 1.000 2 B 23.551 1 ATOM 3586 C C . SER 126 606 ? B 2.999 -33.197 -7.028 1.000 2 B 23.551 1 ATOM 3587 O O . SER 126 606 ? B 3.304 -32.077 -7.444 1.000 2 B 23.551 1 ATOM 3588 C CB . SER 126 606 ? B 0.513 -33.319 -6.801 1.000 2 B 23.551 1 ATOM 3589 O OG . SER 126 606 ? B 0.355 -32.074 -7.459 1.000 2 B 23.551 1 ATOM 3590 N N . ASN 127 607 ? B 4.196 -33.738 -6.788 1.000 2 B 27.121 1 ATOM 3591 C CA . ASN 127 607 ? B 5.287 -34.147 -7.665 1.000 2 B 27.121 1 ATOM 3592 C C . ASN 127 607 ? B 4.767 -34.662 -9.004 1.000 2 B 27.121 1 ATOM 3593 O O . ASN 127 607 ? B 3.869 -35.505 -9.044 1.000 2 B 27.121 1 ATOM 3594 C CB . ASN 127 607 ? B 6.151 -35.213 -6.987 1.000 2 B 27.121 1 ATOM 3595 C CG . ASN 127 607 ? B 6.998 -34.649 -5.863 1.000 2 B 27.121 1 ATOM 3596 O OD1 . ASN 127 607 ? B 7.335 -33.462 -5.859 1.000 2 B 27.121 1 ATOM 3597 N ND2 . ASN 127 607 ? B 7.348 -35.495 -4.902 1.000 2 B 27.121 1 ATOM 3598 N N . LEU 128 608 ? B 4.364 -33.843 -9.959 1.000 2 B 25.680 1 ATOM 3599 C CA . LEU 128 608 ? B 4.242 -34.129 -11.384 1.000 2 B 25.680 1 ATOM 3600 C C . LEU 128 608 ? B 5.275 -35.163 -11.822 1.000 2 B 25.680 1 ATOM 3601 O O . LEU 128 608 ? B 6.479 -34.946 -11.671 1.000 2 B 25.680 1 ATOM 3602 C CB . LEU 128 608 ? B 4.407 -32.847 -12.204 1.000 2 B 25.680 1 ATOM 3603 C CG . LEU 128 608 ? B 3.679 -32.804 -13.549 1.000 2 B 25.680 1 ATOM 3604 C CD1 . LEU 128 608 ? B 2.171 -32.731 -13.333 1.000 2 B 25.680 1 ATOM 3605 C CD2 . LEU 128 608 ? B 4.163 -31.621 -14.381 1.000 2 B 25.680 1 ATOM 3606 N N . GLY 129 609 ? B 5.213 -36.429 -11.285 1.000 2 B 22.388 1 ATOM 3607 C CA . GLY 129 609 ? B 5.710 -37.747 -11.645 1.000 2 B 22.388 1 ATOM 3608 C C . GLY 129 609 ? B 5.500 -38.084 -13.109 1.000 2 B 22.388 1 ATOM 3609 O O . GLY 129 609 ? B 4.413 -37.874 -13.651 1.000 2 B 22.388 1 ATOM 3610 N N . SER 130 610 ? B 6.463 -37.736 -14.068 1.000 2 B 30.332 1 ATOM 3611 C CA . SER 130 610 ? B 6.853 -38.543 -15.219 1.000 2 B 30.332 1 ATOM 3612 C C . SER 130 610 ? B 6.929 -40.022 -14.857 1.000 2 B 30.332 1 ATOM 3613 O O . SER 130 610 ? B 7.450 -40.382 -13.799 1.000 2 B 30.332 1 ATOM 3614 C CB . SER 130 610 ? B 8.199 -38.075 -15.772 1.000 2 B 30.332 1 ATOM 3615 O OG . SER 130 610 ? B 9.235 -38.301 -14.832 1.000 2 B 30.332 1 ATOM 3616 N N . GLN 131 611 ? B 5.863 -40.783 -14.858 1.000 2 B 24.431 1 ATOM 3617 C CA . GLN 131 611 ? B 5.405 -42.133 -15.172 1.000 2 B 24.431 1 ATOM 3618 C C . GLN 131 611 ? B 6.375 -42.836 -16.118 1.000 2 B 24.431 1 ATOM 3619 O O . GLN 131 611 ? B 6.715 -42.302 -17.175 1.000 2 B 24.431 1 ATOM 3620 C CB . GLN 131 611 ? B 4.005 -42.097 -15.786 1.000 2 B 24.431 1 ATOM 3621 C CG . GLN 131 611 ? B 2.907 -41.737 -14.794 1.000 2 B 24.431 1 ATOM 3622 C CD . GLN 131 611 ? B 1.867 -42.831 -14.648 1.000 2 B 24.431 1 ATOM 3623 O OE1 . GLN 131 611 ? B 2.172 -44.019 -14.788 1.000 2 B 24.431 1 ATOM 3624 N NE2 . GLN 131 611 ? B 0.629 -42.438 -14.366 1.000 2 B 24.431 1 ATOM 3625 N N . VAL 132 612 ? B 7.392 -43.635 -15.604 1.000 2 B 28.959 1 ATOM 3626 C CA . VAL 132 612 ? B 7.558 -44.999 -16.094 1.000 2 B 28.959 1 ATOM 3627 C C . VAL 132 612 ? B 8.540 -45.753 -15.201 1.000 2 B 28.959 1 ATOM 3628 O O . VAL 132 612 ? B 9.596 -45.225 -14.844 1.000 2 B 28.959 1 ATOM 3629 C CB . VAL 132 612 ? B 8.046 -45.020 -17.560 1.000 2 B 28.959 1 ATOM 3630 C CG1 . VAL 132 612 ? B 8.191 -46.456 -18.060 1.000 2 B 28.959 1 ATOM 3631 C CG2 . VAL 132 612 ? B 7.088 -44.234 -18.453 1.000 2 B 28.959 1 ATOM 3632 N N . PRO 133 613 ? B 8.219 -47.148 -14.978 1.000 2 B 30.589 1 ATOM 3633 C CA . PRO 133 613 ? B 7.897 -48.145 -13.954 1.000 2 B 30.589 1 ATOM 3634 C C . PRO 133 613 ? B 9.127 -48.901 -13.459 1.000 2 B 30.589 1 ATOM 3635 O O . PRO 133 613 ? B 10.089 -49.083 -14.210 1.000 2 B 30.589 1 ATOM 3636 C CB . PRO 133 613 ? B 6.929 -49.088 -14.674 1.000 2 B 30.589 1 ATOM 3637 C CG . PRO 133 613 ? B 7.146 -48.822 -16.128 1.000 2 B 30.589 1 ATOM 3638 C CD . PRO 133 613 ? B 8.364 -47.955 -16.278 1.000 2 B 30.589 1 ATOM 3639 N N . LEU 134 614 ? B 9.172 -49.132 -12.156 1.000 2 B 21.128 1 ATOM 3640 C CA . LEU 134 614 ? B 9.333 -50.253 -11.236 1.000 2 B 21.128 1 ATOM 3641 C C . LEU 134 614 ? B 10.456 -51.177 -11.697 1.000 2 B 21.128 1 ATOM 3642 O O . LEU 134 614 ? B 10.431 -51.677 -12.823 1.000 2 B 21.128 1 ATOM 3643 C CB . LEU 134 614 ? B 8.025 -51.040 -11.116 1.000 2 B 21.128 1 ATOM 3644 C CG . LEU 134 614 ? B 6.960 -50.447 -10.193 1.000 2 B 21.128 1 ATOM 3645 C CD1 . LEU 134 614 ? B 5.632 -51.174 -10.381 1.000 2 B 21.128 1 ATOM 3646 C CD2 . LEU 134 614 ? B 7.413 -50.517 -8.739 1.000 2 B 21.128 1 ATOM 3647 N N . ALA 135 615 ? B 11.667 -51.040 -11.125 1.000 2 B 26.809 1 ATOM 3648 C CA . ALA 135 615 ? B 12.485 -52.232 -10.918 1.000 2 B 26.809 1 ATOM 3649 C C . ALA 135 615 ? B 13.420 -52.055 -9.724 1.000 2 B 26.809 1 ATOM 3650 O O . ALA 135 615 ? B 14.075 -51.019 -9.590 1.000 2 B 26.809 1 ATOM 3651 C CB . ALA 135 615 ? B 13.289 -52.552 -12.176 1.000 2 B 26.809 1 ATOM 3652 N N . ALA 136 616 ? B 13.086 -52.502 -8.515 1.000 2 B 21.214 1 ATOM 3653 C CA . ALA 136 616 ? B 13.583 -53.460 -7.531 1.000 2 B 21.214 1 ATOM 3654 C C . ALA 136 616 ? B 14.967 -53.976 -7.918 1.000 2 B 21.214 1 ATOM 3655 O O . ALA 136 616 ? B 15.195 -54.352 -9.070 1.000 2 B 21.214 1 ATOM 3656 C CB . ALA 136 616 ? B 12.608 -54.625 -7.382 1.000 2 B 21.214 1 ATOM 3657 N N . TYR 137 617 ? B 16.047 -53.653 -7.156 1.000 2 B 22.273 1 ATOM 3658 C CA . TYR 137 617 ? B 17.062 -54.443 -6.468 1.000 2 B 22.273 1 ATOM 3659 C C . TYR 137 617 ? B 18.451 -53.854 -6.684 1.000 2 B 22.273 1 ATOM 3660 O O . TYR 137 617 ? B 18.789 -53.437 -7.794 1.000 2 B 22.273 1 ATOM 3661 C CB . TYR 137 617 ? B 17.031 -55.897 -6.950 1.000 2 B 22.273 1 ATOM 3662 C CG . TYR 137 617 ? B 17.027 -56.038 -8.453 1.000 2 B 22.273 1 ATOM 3663 C CD1 . TYR 137 617 ? B 15.832 -56.026 -9.170 1.000 2 B 22.273 1 ATOM 3664 C CD2 . TYR 137 617 ? B 18.216 -56.184 -9.159 1.000 2 B 22.273 1 ATOM 3665 C CE1 . TYR 137 617 ? B 15.823 -56.158 -10.555 1.000 2 B 22.273 1 ATOM 3666 C CE2 . TYR 137 617 ? B 18.219 -56.317 -10.543 1.000 2 B 22.273 1 ATOM 3667 C CZ . TYR 137 617 ? B 17.020 -56.302 -11.231 1.000 2 B 22.273 1 ATOM 3668 O OH . TYR 137 617 ? B 17.017 -56.433 -12.602 1.000 2 B 22.273 1 ATOM 3669 N N . ASN 138 618 ? B 19.167 -53.446 -5.639 1.000 2 B 24.933 1 ATOM 3670 C CA . ASN 138 618 ? B 20.337 -53.951 -4.928 1.000 2 B 24.933 1 ATOM 3671 C C . ASN 138 618 ? B 21.633 -53.567 -5.636 1.000 2 B 24.933 1 ATOM 3672 O O . ASN 138 618 ? B 21.740 -53.697 -6.856 1.000 2 B 24.933 1 ATOM 3673 C CB . ASN 138 618 ? B 20.251 -55.470 -4.765 1.000 2 B 24.933 1 ATOM 3674 C CG . ASN 138 618 ? B 19.186 -55.892 -3.772 1.000 2 B 24.933 1 ATOM 3675 O OD1 . ASN 138 618 ? B 18.899 -55.176 -2.809 1.000 2 B 24.933 1 ATOM 3676 N ND2 . ASN 138 618 ? B 18.591 -57.057 -3.999 1.000 2 B 24.933 1 ATOM 3677 N N . LEU 139 619 ? B 22.587 -52.917 -4.956 1.000 2 B 23.251 1 ATOM 3678 C CA . LEU 139 619 ? B 23.927 -53.236 -4.476 1.000 2 B 23.251 1 ATOM 3679 C C . LEU 139 619 ? B 24.985 -52.767 -5.468 1.000 2 B 23.251 1 ATOM 3680 O O . LEU 139 619 ? B 24.945 -53.133 -6.645 1.000 2 B 23.251 1 ATOM 3681 C CB . LEU 139 619 ? B 24.067 -54.741 -4.236 1.000 2 B 23.251 1 ATOM 3682 C CG . LEU 139 619 ? B 23.799 -55.228 -2.811 1.000 2 B 23.251 1 ATOM 3683 C CD1 . LEU 139 619 ? B 23.161 -56.613 -2.836 1.000 2 B 23.251 1 ATOM 3684 C CD2 . LEU 139 619 ? B 25.090 -55.243 -2.000 1.000 2 B 23.251 1 ATOM 3685 N N . ALA 140 620 ? B 25.711 -51.644 -5.145 1.000 2 B 25.493 1 ATOM 3686 C CA . ALA 140 620 ? B 27.124 -51.450 -4.828 1.000 2 B 25.493 1 ATOM 3687 C C . ALA 140 620 ? B 27.887 -50.906 -6.033 1.000 2 B 25.493 1 ATOM 3688 O O . ALA 140 620 ? B 27.717 -51.391 -7.154 1.000 2 B 25.493 1 ATOM 3689 C CB . ALA 140 620 ? B 27.748 -52.761 -4.356 1.000 2 B 25.493 1 ATOM 3690 N N . PRO 141 621 ? B 28.917 -50.019 -5.888 1.000 2 B 30.653 1 ATOM 3691 C CA . PRO 141 621 ? B 29.770 -49.099 -6.645 1.000 2 B 30.653 1 ATOM 3692 C C . PRO 141 621 ? B 31.146 -49.688 -6.951 1.000 2 B 30.653 1 ATOM 3693 O O . PRO 141 621 ? B 31.610 -50.584 -6.241 1.000 2 B 30.653 1 ATOM 3694 C CB . PRO 141 621 ? B 29.889 -47.886 -5.719 1.000 2 B 30.653 1 ATOM 3695 C CG . PRO 141 621 ? B 29.873 -48.457 -4.337 1.000 2 B 30.653 1 ATOM 3696 C CD . PRO 141 621 ? B 29.625 -49.935 -4.435 1.000 2 B 30.653 1 ATOM 3697 N N . GLU 142 622 ? B 31.482 -49.657 -8.251 1.000 2 B 24.751 1 ATOM 3698 C CA . GLU 142 622 ? B 32.832 -49.777 -8.792 1.000 2 B 24.751 1 ATOM 3699 C C . GLU 142 622 ? B 33.069 -48.769 -9.913 1.000 2 B 24.751 1 ATOM 3700 O O . GLU 142 622 ? B 32.242 -48.631 -10.816 1.000 2 B 24.751 1 ATOM 3701 C CB . GLU 142 622 ? B 33.084 -51.198 -9.301 1.000 2 B 24.751 1 ATOM 3702 C CG . GLU 142 622 ? B 34.124 -51.965 -8.497 1.000 2 B 24.751 1 ATOM 3703 C CD . GLU 142 622 ? B 34.295 -53.404 -8.955 1.000 2 B 24.751 1 ATOM 3704 O OE1 . GLU 142 622 ? B 35.106 -54.142 -8.350 1.000 2 B 24.751 1 ATOM 3705 O OE2 . GLU 142 622 ? B 33.613 -53.798 -9.927 1.000 2 B 24.751 1 ATOM 3706 N N . SER 143 623 ? B 33.803 -47.713 -9.685 1.000 2 B 20.773 1 ATOM 3707 C CA . SER 143 623 ? B 35.159 -47.269 -9.993 1.000 2 B 20.773 1 ATOM 3708 C C . SER 143 623 ? B 35.555 -47.648 -11.416 1.000 2 B 20.773 1 ATOM 3709 O O . SER 143 623 ? B 35.220 -48.735 -11.891 1.000 2 B 20.773 1 ATOM 3710 C CB . SER 143 623 ? B 36.157 -47.868 -9.001 1.000 2 B 20.773 1 ATOM 3711 O OG . SER 143 623 ? B 36.210 -49.278 -9.129 1.000 2 B 20.773 1 ATOM 3712 N N . THR 144 624 ? B 35.996 -46.633 -12.237 1.000 2 B 22.355 1 ATOM 3713 C CA . THR 144 624 ? B 37.262 -46.335 -12.898 1.000 2 B 22.355 1 ATOM 3714 C C . THR 144 624 ? B 37.079 -46.266 -14.412 1.000 2 B 22.355 1 ATOM 3715 O O . THR 144 624 ? B 36.421 -47.126 -15.002 1.000 2 B 22.355 1 ATOM 3716 C CB . THR 144 624 ? B 38.332 -47.388 -12.555 1.000 2 B 22.355 1 ATOM 3717 O OG1 . THR 144 624 ? B 37.781 -48.340 -11.637 1.000 2 B 22.355 1 ATOM 3718 C CG2 . THR 144 624 ? B 39.559 -46.740 -11.923 1.000 2 B 22.355 1 ATOM 3719 N N . SER 145 625 ? B 37.299 -45.109 -15.017 1.000 2 B 23.554 1 ATOM 3720 C CA . SER 145 625 ? B 38.391 -44.919 -15.967 1.000 2 B 23.554 1 ATOM 3721 C C . SER 145 625 ? B 37.862 -44.606 -17.362 1.000 2 B 23.554 1 ATOM 3722 O O . SER 145 625 ? B 36.928 -45.256 -17.838 1.000 2 B 23.554 1 ATOM 3723 C CB . SER 145 625 ? B 39.281 -46.161 -16.017 1.000 2 B 23.554 1 ATOM 3724 O OG . SER 145 625 ? B 38.658 -47.196 -16.758 1.000 2 B 23.554 1 ATOM 3725 N N . GLU 146 626 ? B 38.092 -43.370 -17.899 1.000 2 B 22.633 1 ATOM 3726 C CA . GLU 146 626 ? B 38.978 -42.819 -18.921 1.000 2 B 22.633 1 ATOM 3727 C C . GLU 146 626 ? B 38.479 -43.156 -20.323 1.000 2 B 22.633 1 ATOM 3728 O O . GLU 146 626 ? B 38.145 -44.308 -20.609 1.000 2 B 22.633 1 ATOM 3729 C CB . GLU 146 626 ? B 40.406 -43.338 -18.732 1.000 2 B 22.633 1 ATOM 3730 C CG . GLU 146 626 ? B 41.269 -42.453 -17.845 1.000 2 B 22.633 1 ATOM 3731 C CD . GLU 146 626 ? B 42.707 -42.934 -17.735 1.000 2 B 22.633 1 ATOM 3732 O OE1 . GLU 146 626 ? B 43.524 -42.258 -17.070 1.000 2 B 22.633 1 ATOM 3733 O OE2 . GLU 146 626 ? B 43.020 -43.995 -18.321 1.000 2 B 22.633 1 ATOM 3734 N N . SER 147 627 ? B 38.152 -42.063 -21.082 1.000 2 B 27.589 1 ATOM 3735 C CA . SER 147 627 ? B 38.441 -41.974 -22.510 1.000 2 B 27.589 1 ATOM 3736 C C . SER 147 627 ? B 38.032 -40.617 -23.072 1.000 2 B 27.589 1 ATOM 3737 O O . SER 147 627 ? B 36.969 -40.093 -22.733 1.000 2 B 27.589 1 ATOM 3738 C CB . SER 147 627 ? B 37.723 -43.088 -23.273 1.000 2 B 27.589 1 ATOM 3739 O OG . SER 147 627 ? B 36.317 -42.941 -23.175 1.000 2 B 27.589 1 ATOM 3740 N N . HIS 148 628 ? B 38.995 -39.745 -23.507 1.000 2 B 24.012 1 ATOM 3741 C CA . HIS 148 628 ? B 39.634 -39.176 -24.688 1.000 2 B 24.012 1 ATOM 3742 C C . HIS 148 628 ? B 38.623 -38.951 -25.808 1.000 2 B 24.012 1 ATOM 3743 O O . HIS 148 628 ? B 37.819 -39.836 -26.110 1.000 2 B 24.012 1 ATOM 3744 C CB . HIS 148 628 ? B 40.765 -40.083 -25.176 1.000 2 B 24.012 1 ATOM 3745 C CG . HIS 148 628 ? B 42.068 -39.844 -24.482 1.000 2 B 24.012 1 ATOM 3746 N ND1 . HIS 148 628 ? B 42.767 -38.663 -24.599 1.000 2 B 24.012 1 ATOM 3747 C CD2 . HIS 148 628 ? B 42.796 -40.636 -23.659 1.000 2 B 24.012 1 ATOM 3748 C CE1 . HIS 148 628 ? B 43.873 -38.739 -23.878 1.000 2 B 24.012 1 ATOM 3749 N NE2 . HIS 148 628 ? B 43.914 -39.926 -23.297 1.000 2 B 24.012 1 ATOM 3750 N N . SER 149 629 ? B 38.355 -37.644 -26.158 1.000 2 B 30.889 1 ATOM 3751 C CA . SER 149 629 ? B 38.245 -37.215 -27.548 1.000 2 B 30.889 1 ATOM 3752 C C . SER 149 629 ? B 38.085 -35.701 -27.648 1.000 2 B 30.889 1 ATOM 3753 O O . SER 149 629 ? B 37.326 -35.101 -26.884 1.000 2 B 30.889 1 ATOM 3754 C CB . SER 149 629 ? B 37.065 -37.907 -28.231 1.000 2 B 30.889 1 ATOM 3755 O OG . SER 149 629 ? B 35.873 -37.723 -27.485 1.000 2 B 30.889 1 ATOM 3756 N N . GLN 150 630 ? B 39.076 -34.908 -28.125 1.000 2 B 22.118 1 ATOM 3757 C CA . GLN 150 630 ? B 39.511 -34.135 -29.283 1.000 2 B 22.118 1 ATOM 3758 C C . GLN 150 630 ? B 38.333 -33.425 -29.945 1.000 2 B 22.118 1 ATOM 3759 O O . GLN 150 630 ? B 37.296 -34.040 -30.202 1.000 2 B 22.118 1 ATOM 3760 C CB . GLN 150 630 ? B 40.216 -35.037 -30.297 1.000 2 B 22.118 1 ATOM 3761 C CG . GLN 150 630 ? B 41.716 -35.168 -30.065 1.000 2 B 22.118 1 ATOM 3762 C CD . GLN 150 630 ? B 42.399 -36.026 -31.113 1.000 2 B 22.118 1 ATOM 3763 O OE1 . GLN 150 630 ? B 41.745 -36.775 -31.844 1.000 2 B 22.118 1 ATOM 3764 N NE2 . GLN 150 630 ? B 43.722 -35.923 -31.193 1.000 2 B 22.118 1 ATOM 3765 N N . SER 151 631 ? B 38.289 -32.022 -29.999 1.000 2 B 27.497 1 ATOM 3766 C CA . SER 151 631 ? B 38.167 -31.152 -31.164 1.000 2 B 27.497 1 ATOM 3767 C C . SER 151 631 ? B 37.427 -29.864 -30.818 1.000 2 B 27.497 1 ATOM 3768 O O . SER 151 631 ? B 36.444 -29.887 -30.075 1.000 2 B 27.497 1 ATOM 3769 C CB . SER 151 631 ? B 37.444 -31.876 -32.300 1.000 2 B 27.497 1 ATOM 3770 O OG . SER 151 631 ? B 36.092 -32.127 -31.956 1.000 2 B 27.497 1 ATOM 3771 N N . LYS 152 632 ? B 38.063 -28.652 -30.939 1.000 2 B 30.073 1 ATOM 3772 C CA . LYS 152 632 ? B 37.977 -27.512 -31.847 1.000 2 B 30.073 1 ATOM 3773 C C . LYS 152 632 ? B 37.440 -26.277 -31.129 1.000 2 B 30.073 1 ATOM 3774 O O . LYS 152 632 ? B 36.408 -26.341 -30.459 1.000 2 B 30.073 1 ATOM 3775 C CB . LYS 152 632 ? B 37.091 -27.847 -33.048 1.000 2 B 30.073 1 ATOM 3776 C CG . LYS 152 632 ? B 37.851 -27.986 -34.358 1.000 2 B 30.073 1 ATOM 3777 C CD . LYS 152 632 ? B 36.920 -28.346 -35.509 1.000 2 B 30.073 1 ATOM 3778 C CE . LYS 152 632 ? B 37.692 -28.589 -36.799 1.000 2 B 30.073 1 ATOM 3779 N NZ . LYS 152 632 ? B 36.790 -29.004 -37.915 1.000 2 B 30.073 1 ATOM 3780 N N . SER 153 633 ? B 38.220 -25.204 -30.916 1.000 2 B 26.243 1 ATOM 3781 C CA . SER 153 633 ? B 38.409 -23.840 -31.399 1.000 2 B 26.243 1 ATOM 3782 C C . SER 153 633 ? B 37.434 -22.876 -30.732 1.000 2 B 26.243 1 ATOM 3783 O O . SER 153 633 ? B 36.248 -23.182 -30.593 1.000 2 B 26.243 1 ATOM 3784 C CB . SER 153 633 ? B 38.239 -23.781 -32.918 1.000 2 B 26.243 1 ATOM 3785 O OG . SER 153 633 ? B 36.884 -23.983 -33.280 1.000 2 B 26.243 1 ATOM 3786 N N . SER 154 634 ? B 37.962 -21.847 -29.958 1.000 2 B 26.705 1 ATOM 3787 C CA . SER 154 634 ? B 38.113 -20.399 -30.054 1.000 2 B 26.705 1 ATOM 3788 C C . SER 154 634 ? B 37.683 -19.712 -28.762 1.000 2 B 26.705 1 ATOM 3789 O O . SER 154 634 ? B 36.618 -20.010 -28.218 1.000 2 B 26.705 1 ATOM 3790 C CB . SER 154 634 ? B 37.299 -19.851 -31.227 1.000 2 B 26.705 1 ATOM 3791 O OG . SER 154 634 ? B 35.909 -19.964 -30.971 1.000 2 B 26.705 1 ATOM 3792 N N . SER 155 635 ? B 38.599 -19.225 -27.942 1.000 2 B 25.316 1 ATOM 3793 C CA . SER 155 635 ? B 39.224 -17.962 -27.563 1.000 2 B 25.316 1 ATOM 3794 C C . SER 155 635 ? B 38.246 -17.063 -26.815 1.000 2 B 25.316 1 ATOM 3795 O O . SER 155 635 ? B 37.085 -16.935 -27.210 1.000 2 B 25.316 1 ATOM 3796 C CB . SER 155 635 ? B 39.754 -17.234 -28.799 1.000 2 B 25.316 1 ATOM 3797 O OG . SER 155 635 ? B 38.688 -16.818 -29.635 1.000 2 B 25.316 1 ATOM 3798 N N . ASP 156 636 ? B 38.478 -16.826 -25.472 1.000 2 B 30.663 1 ATOM 3799 C CA . ASP 156 636 ? B 38.715 -15.543 -24.817 1.000 2 B 30.663 1 ATOM 3800 C C . ASP 156 636 ? B 38.628 -15.678 -23.298 1.000 2 B 30.663 1 ATOM 3801 O O . ASP 156 636 ? B 37.626 -16.162 -22.769 1.000 2 B 30.663 1 ATOM 3802 C CB . ASP 156 636 ? B 37.714 -14.496 -25.310 1.000 2 B 30.663 1 ATOM 3803 C CG . ASP 156 636 ? B 38.173 -13.784 -26.570 1.000 2 B 30.663 1 ATOM 3804 O OD1 . ASP 156 636 ? B 39.374 -13.857 -26.908 1.000 2 B 30.663 1 ATOM 3805 O OD2 . ASP 156 636 ? B 37.326 -13.142 -27.229 1.000 2 B 30.663 1 ATOM 3806 N N . GLU 157 637 ? B 39.701 -15.816 -22.597 1.000 2 B 22.940 1 ATOM 3807 C CA . GLU 157 637 ? B 40.524 -15.079 -21.643 1.000 2 B 22.940 1 ATOM 3808 C C . GLU 157 637 ? B 39.698 -14.606 -20.450 1.000 2 B 22.940 1 ATOM 3809 O O . GLU 157 637 ? B 38.660 -13.964 -20.623 1.000 2 B 22.940 1 ATOM 3810 C CB . GLU 157 637 ? B 41.197 -13.884 -22.323 1.000 2 B 22.940 1 ATOM 3811 C CG . GLU 157 637 ? B 42.717 -13.952 -22.323 1.000 2 B 22.940 1 ATOM 3812 C CD . GLU 157 637 ? B 43.375 -12.674 -22.819 1.000 2 B 22.940 1 ATOM 3813 O OE1 . GLU 157 637 ? B 44.608 -12.525 -22.660 1.000 2 B 22.940 1 ATOM 3814 O OE2 . GLU 157 637 ? B 42.651 -11.814 -23.369 1.000 2 B 22.940 1 ATOM 3815 N N . CYS 158 638 ? B 39.941 -15.054 -19.297 1.000 2 B 27.178 1 ATOM 3816 C CA . CYS 158 638 ? B 40.513 -14.317 -18.175 1.000 2 B 27.178 1 ATOM 3817 C C . CYS 158 638 ? B 40.292 -15.062 -16.864 1.000 2 B 27.178 1 ATOM 3818 O O . CYS 158 638 ? B 39.156 -15.382 -16.511 1.000 2 B 27.178 1 ATOM 3819 C CB . CYS 158 638 ? B 39.904 -12.918 -18.086 1.000 2 B 27.178 1 ATOM 3820 S SG . CYS 158 638 ? B 41.081 -11.641 -17.589 1.000 2 B 27.178 1 ATOM 3821 N N . GLU 159 639 ? B 41.365 -15.756 -16.374 1.000 2 B 25.269 1 ATOM 3822 C CA . GLU 159 639 ? B 42.414 -15.662 -15.364 1.000 2 B 25.269 1 ATOM 3823 C C . GLU 159 639 ? B 41.865 -15.950 -13.969 1.000 2 B 25.269 1 ATOM 3824 O O . GLU 159 639 ? B 40.876 -15.346 -13.549 1.000 2 B 25.269 1 ATOM 3825 C CB . GLU 159 639 ? B 43.070 -14.279 -15.395 1.000 2 B 25.269 1 ATOM 3826 C CG . GLU 159 639 ? B 44.326 -14.213 -16.252 1.000 2 B 25.269 1 ATOM 3827 C CD . GLU 159 639 ? B 45.103 -12.918 -16.078 1.000 2 B 25.269 1 ATOM 3828 O OE1 . GLU 159 639 ? B 46.219 -12.801 -16.633 1.000 2 B 25.269 1 ATOM 3829 O OE2 . GLU 159 639 ? B 44.591 -12.013 -15.382 1.000 2 B 25.269 1 ATOM 3830 N N . GLU 160 640 ? B 42.146 -17.065 -13.441 1.000 2 B 23.377 1 ATOM 3831 C CA . GLU 160 640 ? B 43.167 -17.519 -12.502 1.000 2 B 23.377 1 ATOM 3832 C C . GLU 160 640 ? B 42.909 -16.975 -11.100 1.000 2 B 23.377 1 ATOM 3833 O O . GLU 160 640 ? B 42.747 -15.766 -10.918 1.000 2 B 23.377 1 ATOM 3834 C CB . GLU 160 640 ? B 44.560 -17.104 -12.980 1.000 2 B 23.377 1 ATOM 3835 C CG . GLU 160 640 ? B 45.654 -18.103 -12.631 1.000 2 B 23.377 1 ATOM 3836 C CD . GLU 160 640 ? B 47.040 -17.652 -13.065 1.000 2 B 23.377 1 ATOM 3837 O OE1 . GLU 160 640 ? B 48.034 -18.328 -12.717 1.000 2 B 23.377 1 ATOM 3838 O OE2 . GLU 160 640 ? B 47.131 -16.614 -13.758 1.000 2 B 23.377 1 ATOM 3839 N N . ILE 161 641 ? B 42.554 -17.779 -10.170 1.000 2 B 29.061 1 ATOM 3840 C CA . ILE 161 641 ? B 43.318 -17.933 -8.937 1.000 2 B 29.061 1 ATOM 3841 C C . ILE 161 641 ? B 42.467 -18.645 -7.887 1.000 2 B 29.061 1 ATOM 3842 O O . ILE 161 641 ? B 41.295 -18.312 -7.700 1.000 2 B 29.061 1 ATOM 3843 C CB . ILE 161 641 ? B 43.802 -16.568 -8.398 1.000 2 B 29.061 1 ATOM 3844 C CG1 . ILE 161 641 ? B 44.804 -15.935 -9.370 1.000 2 B 29.061 1 ATOM 3845 C CG2 . ILE 161 641 ? B 44.416 -16.724 -7.004 1.000 2 B 29.061 1 ATOM 3846 C CD1 . ILE 161 641 ? B 45.191 -14.505 -9.017 1.000 2 B 29.061 1 ATOM 3847 N N . THR 162 642 ? B 42.726 -19.936 -7.699 1.000 2 B 27.281 1 ATOM 3848 C CA . THR 162 642 ? B 43.416 -20.608 -6.604 1.000 2 B 27.281 1 ATOM 3849 C C . THR 162 642 ? B 42.416 -21.190 -5.609 1.000 2 B 27.281 1 ATOM 3850 O O . THR 162 642 ? B 41.460 -20.518 -5.218 1.000 2 B 27.281 1 ATOM 3851 C CB . THR 162 642 ? B 44.372 -19.648 -5.873 1.000 2 B 27.281 1 ATOM 3852 O OG1 . THR 162 642 ? B 44.108 -18.305 -6.298 1.000 2 B 27.281 1 ATOM 3853 C CG2 . THR 162 642 ? B 45.828 -19.986 -6.173 1.000 2 B 27.281 1 ATOM 3854 N N . LYS 163 643 ? B 42.183 -22.412 -5.578 1.000 2 B 25.472 1 ATOM 3855 C CA . LYS 163 643 ? B 42.654 -23.524 -4.757 1.000 2 B 25.472 1 ATOM 3856 C C . LYS 163 643 ? B 42.857 -23.091 -3.309 1.000 2 B 25.472 1 ATOM 3857 O O . LYS 163 643 ? B 43.472 -22.055 -3.045 1.000 2 B 25.472 1 ATOM 3858 C CB . LYS 163 643 ? B 43.956 -24.094 -5.322 1.000 2 B 25.472 1 ATOM 3859 C CG . LYS 163 643 ? B 43.782 -25.402 -6.079 1.000 2 B 25.472 1 ATOM 3860 C CD . LYS 163 643 ? B 45.106 -25.902 -6.644 1.000 2 B 25.472 1 ATOM 3861 C CE . LYS 163 643 ? B 44.922 -27.174 -7.460 1.000 2 B 25.472 1 ATOM 3862 N NZ . LYS 163 643 ? B 46.214 -27.653 -8.037 1.000 2 B 25.472 1 ATOM 3863 N N . SER 164 644 ? B 42.007 -23.565 -2.407 1.000 2 B 24.614 1 ATOM 3864 C CA . SER 164 644 ? B 42.546 -24.328 -1.286 1.000 2 B 24.614 1 ATOM 3865 C C . SER 164 644 ? B 41.838 -23.971 0.017 1.000 2 B 24.614 1 ATOM 3866 O O . SER 164 644 ? B 41.578 -22.797 0.287 1.000 2 B 24.614 1 ATOM 3867 C CB . SER 164 644 ? B 44.048 -24.082 -1.143 1.000 2 B 24.614 1 ATOM 3868 O OG . SER 164 644 ? B 44.309 -22.724 -0.832 1.000 2 B 24.614 1 ATOM 3869 N N . ARG 165 645 ? B 41.016 -24.804 0.586 1.000 2 B 24.573 1 ATOM 3870 C CA . ARG 165 645 ? B 41.479 -25.612 1.709 1.000 2 B 24.573 1 ATOM 3871 C C . ARG 165 645 ? B 41.215 -24.909 3.036 1.000 2 B 24.573 1 ATOM 3872 O O . ARG 165 645 ? B 41.512 -23.722 3.186 1.000 2 B 24.573 1 ATOM 3873 C CB . ARG 165 645 ? B 42.971 -25.922 1.569 1.000 2 B 24.573 1 ATOM 3874 C CG . ARG 165 645 ? B 43.414 -27.171 2.315 1.000 2 B 24.573 1 ATOM 3875 C CD . ARG 165 645 ? B 44.876 -27.500 2.046 1.000 2 B 24.573 1 ATOM 3876 N NE . ARG 165 645 ? B 45.297 -28.703 2.758 1.000 2 B 24.573 1 ATOM 3877 C CZ . ARG 165 645 ? B 46.493 -29.273 2.641 1.000 2 B 24.573 1 ATOM 3878 N NH1 . ARG 165 645 ? B 47.414 -28.759 1.834 1.000 2 B 24.573 1 ATOM 3879 N NH2 . ARG 165 645 ? B 46.771 -30.367 3.336 1.000 2 B 24.573 1 ATOM 3880 N N . ASN 166 646 ? B 40.335 -25.475 3.855 1.000 2 B 23.484 1 ATOM 3881 C CA . ASN 166 646 ? B 40.477 -26.178 5.125 1.000 2 B 23.484 1 ATOM 3882 C C . ASN 166 646 ? B 40.220 -25.253 6.311 1.000 2 B 23.484 1 ATOM 3883 O O . ASN 166 646 ? B 40.769 -24.152 6.375 1.000 2 B 23.484 1 ATOM 3884 C CB . ASN 166 646 ? B 41.866 -26.810 5.236 1.000 2 B 23.484 1 ATOM 3885 C CG . ASN 166 646 ? B 41.970 -28.126 4.490 1.000 2 B 23.484 1 ATOM 3886 O OD1 . ASN 166 646 ? B 40.970 -28.820 4.288 1.000 2 B 23.484 1 ATOM 3887 N ND2 . ASN 166 646 ? B 43.182 -28.479 4.076 1.000 2 B 23.484 1 ATOM 3888 N N . GLU 167 647 ? B 39.128 -25.441 7.071 1.000 2 B 26.315 1 ATOM 3889 C CA . GLU 167 647 ? B 38.977 -25.975 8.422 1.000 2 B 26.315 1 ATOM 3890 C C . GLU 167 647 ? B 38.689 -24.863 9.426 1.000 2 B 26.315 1 ATOM 3891 O O . GLU 167 647 ? B 39.381 -23.843 9.446 1.000 2 B 26.315 1 ATOM 3892 C CB . GLU 167 647 ? B 40.231 -26.748 8.838 1.000 2 B 26.315 1 ATOM 3893 C CG . GLU 167 647 ? B 40.117 -28.253 8.645 1.000 2 B 26.315 1 ATOM 3894 C CD . GLU 167 647 ? B 41.286 -29.024 9.238 1.000 2 B 26.315 1 ATOM 3895 O OE1 . GLU 167 647 ? B 41.254 -30.275 9.232 1.000 2 B 26.315 1 ATOM 3896 O OE2 . GLU 167 647 ? B 42.242 -28.371 9.713 1.000 2 B 26.315 1 ATOM 3897 N N . PRO 168 648 ? B 37.895 -24.978 10.466 1.000 2 B 30.809 1 ATOM 3898 C CA . PRO 168 648 ? B 37.293 -24.173 11.531 1.000 2 B 30.809 1 ATOM 3899 C C . PRO 168 648 ? B 38.039 -24.297 12.858 1.000 2 B 30.809 1 ATOM 3900 O O . PRO 168 648 ? B 38.811 -25.240 13.050 1.000 2 B 30.809 1 ATOM 3901 C CB . PRO 168 648 ? B 35.877 -24.741 11.646 1.000 2 B 30.809 1 ATOM 3902 C CG . PRO 168 648 ? B 36.022 -26.195 11.328 1.000 2 B 30.809 1 ATOM 3903 C CD . PRO 168 648 ? B 37.446 -26.456 10.929 1.000 2 B 30.809 1 ATOM 3904 N N . PHE 169 649 ? B 38.411 -23.150 13.531 1.000 2 B 24.408 1 ATOM 3905 C CA . PHE 169 649 ? B 38.734 -23.223 14.951 1.000 2 B 24.408 1 ATOM 3906 C C . PHE 169 649 ? B 38.645 -21.845 15.598 1.000 2 B 24.408 1 ATOM 3907 O O . PHE 169 649 ? B 39.142 -20.861 15.045 1.000 2 B 24.408 1 ATOM 3908 C CB . PHE 169 649 ? B 40.135 -23.809 15.156 1.000 2 B 24.408 1 ATOM 3909 C CG . PHE 169 649 ? B 40.144 -25.109 15.914 1.000 2 B 24.408 1 ATOM 3910 C CD1 . PHE 169 649 ? B 40.327 -25.125 17.291 1.000 2 B 24.408 1 ATOM 3911 C CD2 . PHE 169 649 ? B 39.969 -26.315 15.248 1.000 2 B 24.408 1 ATOM 3912 C CE1 . PHE 169 649 ? B 40.336 -26.327 17.995 1.000 2 B 24.408 1 ATOM 3913 C CE2 . PHE 169 649 ? B 39.977 -27.520 15.945 1.000 2 B 24.408 1 ATOM 3914 C CZ . PHE 169 649 ? B 40.162 -27.524 17.318 1.000 2 B 24.408 1 ATOM 3915 N N . GLN 170 650 ? B 37.716 -21.577 16.565 1.000 2 B 25.159 1 ATOM 3916 C CA . GLN 170 650 ? B 37.814 -21.491 18.019 1.000 2 B 25.159 1 ATOM 3917 C C . GLN 170 650 ? B 37.637 -20.053 18.498 1.000 2 B 25.159 1 ATOM 3918 O O . GLN 170 650 ? B 38.312 -19.143 18.010 1.000 2 B 25.159 1 ATOM 3919 C CB . GLN 170 650 ? B 39.156 -22.044 18.501 1.000 2 B 25.159 1 ATOM 3920 C CG . GLN 170 650 ? B 39.031 -23.079 19.610 1.000 2 B 25.159 1 ATOM 3921 C CD . GLN 170 650 ? B 40.377 -23.584 20.096 1.000 2 B 25.159 1 ATOM 3922 O OE1 . GLN 170 650 ? B 41.425 -23.218 19.553 1.000 2 B 25.159 1 ATOM 3923 N NE2 . GLN 170 650 ? B 40.359 -24.427 21.123 1.000 2 B 25.159 1 ATOM 3924 N N . ARG 171 651 ? B 36.610 -19.697 19.183 1.000 2 B 22.196 1 ATOM 3925 C CA . ARG 171 651 ? B 36.174 -19.238 20.497 1.000 2 B 22.196 1 ATOM 3926 C C . ARG 171 651 ? B 37.266 -18.425 21.184 1.000 2 B 22.196 1 ATOM 3927 O O . ARG 171 651 ? B 38.402 -18.886 21.314 1.000 2 B 22.196 1 ATOM 3928 C CB . ARG 171 651 ? B 35.772 -20.425 21.376 1.000 2 B 22.196 1 ATOM 3929 C CG . ARG 171 651 ? B 34.656 -20.113 22.360 1.000 2 B 22.196 1 ATOM 3930 C CD . ARG 171 651 ? B 34.132 -21.373 23.035 1.000 2 B 22.196 1 ATOM 3931 N NE . ARG 171 651 ? B 32.993 -21.085 23.902 1.000 2 B 22.196 1 ATOM 3932 C CZ . ARG 171 651 ? B 32.205 -22.006 24.449 1.000 2 B 22.196 1 ATOM 3933 N NH1 . ARG 171 651 ? B 32.417 -23.299 24.228 1.000 2 B 22.196 1 ATOM 3934 N NH2 . ARG 171 651 ? B 31.196 -21.634 25.223 1.000 2 B 22.196 1 ATOM 3935 N N . SER 172 652 ? B 37.050 -17.075 21.353 1.000 2 B 29.648 1 ATOM 3936 C CA . SER 172 652 ? B 37.613 -16.289 22.446 1.000 2 B 29.648 1 ATOM 3937 C C . SER 172 652 ? B 36.612 -15.260 22.960 1.000 2 B 29.648 1 ATOM 3938 O O . SER 172 652 ? B 35.936 -14.596 22.171 1.000 2 B 29.648 1 ATOM 3939 C CB . SER 172 652 ? B 38.894 -15.586 21.996 1.000 2 B 29.648 1 ATOM 3940 O OG . SER 172 652 ? B 38.680 -14.873 20.790 1.000 2 B 29.648 1 ATOM 3941 N N . ASP 173 653 ? B 35.846 -15.472 23.965 1.000 2 B 24.238 1 ATOM 3942 C CA . ASP 173 653 ? B 35.530 -14.857 25.251 1.000 2 B 24.238 1 ATOM 3943 C C . ASP 173 653 ? B 36.706 -14.033 25.769 1.000 2 B 24.238 1 ATOM 3944 O O . ASP 173 653 ? B 37.827 -14.536 25.871 1.000 2 B 24.238 1 ATOM 3945 C CB . ASP 173 653 ? B 35.144 -15.926 26.276 1.000 2 B 24.238 1 ATOM 3946 C CG . ASP 173 653 ? B 33.713 -16.408 26.120 1.000 2 B 24.238 1 ATOM 3947 O OD1 . ASP 173 653 ? B 32.884 -15.678 25.534 1.000 2 B 24.238 1 ATOM 3948 O OD2 . ASP 173 653 ? B 33.410 -17.526 26.589 1.000 2 B 24.238 1 ATOM 3949 N N . ILE 174 654 ? B 36.625 -12.641 25.766 1.000 2 B 30.329 1 ATOM 3950 C CA . ILE 174 654 ? B 37.147 -11.751 26.797 1.000 2 B 30.329 1 ATOM 3951 C C . ILE 174 654 ? B 36.536 -10.361 26.636 1.000 2 B 30.329 1 ATOM 3952 O O . ILE 174 654 ? B 36.527 -9.803 25.536 1.000 2 B 30.329 1 ATOM 3953 C CB . ILE 174 654 ? B 38.689 -11.668 26.743 1.000 2 B 30.329 1 ATOM 3954 C CG1 . ILE 174 654 ? B 39.308 -13.043 27.019 1.000 2 B 30.329 1 ATOM 3955 C CG2 . ILE 174 654 ? B 39.208 -10.625 27.737 1.000 2 B 30.329 1 ATOM 3956 C CD1 . ILE 174 654 ? B 40.823 -13.082 26.871 1.000 2 B 30.329 1 ATOM 3957 N N . ILE 175 655 ? B 35.553 -9.910 27.367 1.000 2 B 23.601 1 ATOM 3958 C CA . ILE 175 655 ? B 35.263 -8.786 28.251 1.000 2 B 23.601 1 ATOM 3959 C C . ILE 175 655 ? B 36.564 -8.236 28.831 1.000 2 B 23.601 1 ATOM 3960 O O . ILE 175 655 ? B 37.397 -8.995 29.334 1.000 2 B 23.601 1 ATOM 3961 C CB . ILE 175 655 ? B 34.300 -9.195 29.388 1.000 2 B 23.601 1 ATOM 3962 C CG1 . ILE 175 655 ? B 32.962 -9.670 28.809 1.000 2 B 23.601 1 ATOM 3963 C CG2 . ILE 175 655 ? B 34.093 -8.033 30.364 1.000 2 B 23.601 1 ATOM 3964 C CD1 . ILE 175 655 ? B 32.009 -10.248 29.846 1.000 2 B 23.601 1 ATOM 3965 N N . ALA 176 656 ? B 36.934 -6.962 28.447 1.000 2 B 29.045 1 ATOM 3966 C CA . ALA 176 656 ? B 37.580 -5.946 29.274 1.000 2 B 29.045 1 ATOM 3967 C C . ALA 176 656 ? B 37.449 -4.562 28.644 1.000 2 B 29.045 1 ATOM 3968 O O . ALA 176 656 ? B 37.689 -4.392 27.446 1.000 2 B 29.045 1 ATOM 3969 C CB . ALA 176 656 ? B 39.052 -6.292 29.488 1.000 2 B 29.045 1 ATOM 3970 N N . LYS 177 657 ? B 36.603 -3.629 29.116 1.000 2 B 21.095 1 ATOM 3971 C CA . LYS 177 657 ? B 36.758 -2.423 29.925 1.000 2 B 21.095 1 ATOM 3972 C C . LYS 177 657 ? B 38.139 -1.804 29.731 1.000 2 B 21.095 1 ATOM 3973 O O . LYS 177 657 ? B 39.154 -2.498 29.821 1.000 2 B 21.095 1 ATOM 3974 C CB . LYS 177 657 ? B 36.526 -2.735 31.404 1.000 2 B 21.095 1 ATOM 3975 C CG . LYS 177 657 ? B 35.322 -2.025 32.006 1.000 2 B 21.095 1 ATOM 3976 C CD . LYS 177 657 ? B 35.083 -2.454 33.447 1.000 2 B 21.095 1 ATOM 3977 C CE . LYS 177 657 ? B 33.823 -1.819 34.019 1.000 2 B 21.095 1 ATOM 3978 N NZ . LYS 177 657 ? B 33.532 -2.309 35.399 1.000 2 B 21.095 1 ATOM 3979 N N . ASN 178 658 ? B 38.200 -0.546 29.161 1.000 2 B 26.092 1 ATOM 3980 C CA . ASN 178 658 ? B 38.767 0.682 29.708 1.000 2 B 26.092 1 ATOM 3981 C C . ASN 178 658 ? B 39.512 1.479 28.642 1.000 2 B 26.092 1 ATOM 3982 O O . ASN 178 658 ? B 40.392 0.946 27.964 1.000 2 B 26.092 1 ATOM 3983 C CB . ASN 178 658 ? B 39.696 0.368 30.883 1.000 2 B 26.092 1 ATOM 3984 C CG . ASN 178 658 ? B 38.940 0.021 32.150 1.000 2 B 26.092 1 ATOM 3985 O OD1 . ASN 178 658 ? B 37.721 0.199 32.228 1.000 2 B 26.092 1 ATOM 3986 N ND2 . ASN 178 658 ? B 39.656 -0.478 33.150 1.000 2 B 26.092 1 ATOM 3987 N N . SER 179 659 ? B 39.092 2.720 28.338 1.000 2 B 25.048 1 ATOM 3988 C CA . SER 179 659 ? B 39.782 3.972 28.632 1.000 2 B 25.048 1 ATOM 3989 C C . SER 179 659 ? B 40.029 4.779 27.362 1.000 2 B 25.048 1 ATOM 3990 O O . SER 179 659 ? B 40.733 4.323 26.458 1.000 2 B 25.048 1 ATOM 3991 C CB . SER 179 659 ? B 41.110 3.698 29.339 1.000 2 B 25.048 1 ATOM 3992 O OG . SER 179 659 ? B 41.995 2.987 28.490 1.000 2 B 25.048 1 ATOM 3993 N N . LEU 180 660 ? B 39.124 5.696 27.081 1.000 2 B 32.191 1 ATOM 3994 C CA . LEU 180 660 ? B 39.618 6.906 26.433 1.000 2 B 32.191 1 ATOM 3995 C C . LEU 180 660 ? B 39.251 8.145 27.242 1.000 2 B 32.191 1 ATOM 3996 O O . LEU 180 660 ? B 38.091 8.322 27.623 1.000 2 B 32.191 1 ATOM 3997 C CB . LEU 180 660 ? B 39.056 7.023 25.014 1.000 2 B 32.191 1 ATOM 3998 C CG . LEU 180 660 ? B 39.951 7.714 23.985 1.000 2 B 32.191 1 ATOM 3999 C CD1 . LEU 180 660 ? B 40.682 6.678 23.138 1.000 2 B 32.191 1 ATOM 4000 C CD2 . LEU 180 660 ? B 39.129 8.649 23.103 1.000 2 B 32.191 1 ATOM 4001 N N . THR 181 661 ? B 40.076 8.630 28.223 1.000 2 B 23.212 1 ATOM 4002 C CA . THR 181 661 ? B 40.701 9.860 28.695 1.000 2 B 23.212 1 ATOM 4003 C C . THR 181 661 ? B 40.971 10.811 27.532 1.000 2 B 23.212 1 ATOM 4004 O O . THR 181 661 ? B 41.454 10.390 26.479 1.000 2 B 23.212 1 ATOM 4005 C CB . THR 181 661 ? B 42.018 9.568 29.438 1.000 2 B 23.212 1 ATOM 4006 O OG1 . THR 181 661 ? B 42.664 8.444 28.830 1.000 2 B 23.212 1 ATOM 4007 C CG2 . THR 181 661 ? B 41.761 9.258 30.909 1.000 2 B 23.212 1 ATOM 4008 N N . ASP 182 662 ? B 40.393 12.066 27.456 1.000 2 B 29.035 1 ATOM 4009 C CA . ASP 182 662 ? B 41.100 13.339 27.364 1.000 2 B 29.035 1 ATOM 4010 C C . ASP 182 662 ? B 40.231 14.404 26.698 1.000 2 B 29.035 1 ATOM 4011 O O . ASP 182 662 ? B 39.737 14.203 25.587 1.000 2 B 29.035 1 ATOM 4012 C CB . ASP 182 662 ? B 42.410 13.171 26.591 1.000 2 B 29.035 1 ATOM 4013 C CG . ASP 182 662 ? B 43.582 12.801 27.483 1.000 2 B 29.035 1 ATOM 4014 O OD1 . ASP 182 662 ? B 43.463 12.911 28.723 1.000 2 B 29.035 1 ATOM 4015 O OD2 . ASP 182 662 ? B 44.634 12.398 26.942 1.000 2 B 29.035 1 ATOM 4016 N N . THR 183 663 ? B 39.655 15.414 27.373 1.000 2 B 26.963 1 ATOM 4017 C CA . THR 183 663 ? B 39.912 16.843 27.511 1.000 2 B 26.963 1 ATOM 4018 C C . THR 183 663 ? B 38.843 17.657 26.787 1.000 2 B 26.963 1 ATOM 4019 O O . THR 183 663 ? B 38.656 17.511 25.578 1.000 2 B 26.963 1 ATOM 4020 C CB . THR 183 663 ? B 41.302 17.216 26.964 1.000 2 B 26.963 1 ATOM 4021 O OG1 . THR 183 663 ? B 42.104 16.033 26.868 1.000 2 B 26.963 1 ATOM 4022 C CG2 . THR 183 663 ? B 42.002 18.217 27.878 1.000 2 B 26.963 1 ATOM 4023 N N . TRP 184 664 ? B 37.775 18.220 27.382 1.000 2 B 34.012 1 ATOM 4024 C CA . TRP 184 664 ? B 37.351 19.609 27.245 1.000 2 B 34.012 1 ATOM 4025 C C . TRP 184 664 ? B 36.357 19.986 28.339 1.000 2 B 34.012 1 ATOM 4026 O O . TRP 184 664 ? B 35.276 19.400 28.432 1.000 2 B 34.012 1 ATOM 4027 C CB . TRP 184 664 ? B 36.727 19.848 25.867 1.000 2 B 34.012 1 ATOM 4028 C CG . TRP 184 664 ? B 37.168 21.121 25.211 1.000 2 B 34.012 1 ATOM 4029 C CD1 . TRP 184 664 ? B 37.099 22.384 25.731 1.000 2 B 34.012 1 ATOM 4030 C CD2 . TRP 184 664 ? B 37.743 21.256 23.907 1.000 2 B 34.012 1 ATOM 4031 N NE1 . TRP 184 664 ? B 37.597 23.295 24.830 1.000 2 B 34.012 1 ATOM 4032 C CE2 . TRP 184 664 ? B 37.999 22.630 23.703 1.000 2 B 34.012 1 ATOM 4033 C CE3 . TRP 184 664 ? B 38.068 20.347 22.892 1.000 2 B 34.012 1 ATOM 4034 C CZ2 . TRP 184 664 ? B 38.566 23.116 22.523 1.000 2 B 34.012 1 ATOM 4035 C CZ3 . TRP 184 664 ? B 38.632 20.833 21.718 1.000 2 B 34.012 1 ATOM 4036 C CH2 . TRP 184 664 ? B 38.874 22.206 21.545 1.000 2 B 34.012 1 ATOM 4037 N N . ASN 185 665 ? B 36.747 20.228 29.573 1.000 2 B 27.041 1 ATOM 4038 C CA . ASN 185 665 ? B 36.620 21.353 30.494 1.000 2 B 27.041 1 ATOM 4039 C C . ASN 185 665 ? B 35.969 22.558 29.821 1.000 2 B 27.041 1 ATOM 4040 O O . ASN 185 665 ? B 36.341 22.927 28.706 1.000 2 B 27.041 1 ATOM 4041 C CB . ASN 185 665 ? B 37.986 21.737 31.064 1.000 2 B 27.041 1 ATOM 4042 C CG . ASN 185 665 ? B 38.310 21.002 32.350 1.000 2 B 27.041 1 ATOM 4043 O OD1 . ASN 185 665 ? B 37.432 20.398 32.972 1.000 2 B 27.041 1 ATOM 4044 N ND2 . ASN 185 665 ? B 39.573 21.046 32.757 1.000 2 B 27.041 1 ATOM 4045 N N . LYS 186 666 ? B 34.750 22.989 30.075 1.000 2 B 26.758 1 ATOM 4046 C CA . LYS 186 666 ? B 34.226 24.197 30.704 1.000 2 B 26.758 1 ATOM 4047 C C . LYS 186 666 ? B 33.994 25.298 29.673 1.000 2 B 26.758 1 ATOM 4048 O O . LYS 186 666 ? B 34.943 25.792 29.061 1.000 2 B 26.758 1 ATOM 4049 C CB . LYS 186 666 ? B 35.178 24.692 31.794 1.000 2 B 26.758 1 ATOM 4050 C CG . LYS 186 666 ? B 34.957 24.042 33.151 1.000 2 B 26.758 1 ATOM 4051 C CD . LYS 186 666 ? B 35.574 24.867 34.273 1.000 2 B 26.758 1 ATOM 4052 C CE . LYS 186 666 ? B 35.300 24.249 35.638 1.000 2 B 26.758 1 ATOM 4053 N NZ . LYS 186 666 ? B 35.932 25.036 36.739 1.000 2 B 26.758 1 ATOM 4054 N N . ASP 187 667 ? B 32.887 25.386 28.993 1.000 2 B 35.017 1 ATOM 4055 C CA . ASP 187 667 ? B 32.174 26.612 28.647 1.000 2 B 35.017 1 ATOM 4056 C C . ASP 187 667 ? B 30.785 26.637 29.280 1.000 2 B 35.017 1 ATOM 4057 O O . ASP 187 667 ? B 30.039 25.660 29.193 1.000 2 B 35.017 1 ATOM 4058 C CB . ASP 187 667 ? B 32.062 26.757 27.127 1.000 2 B 35.017 1 ATOM 4059 C CG . ASP 187 667 ? B 33.160 27.621 26.532 1.000 2 B 35.017 1 ATOM 4060 O OD1 . ASP 187 667 ? B 33.904 28.274 27.295 1.000 2 B 35.017 1 ATOM 4061 O OD2 . ASP 187 667 ? B 33.279 27.652 25.288 1.000 2 B 35.017 1 ATOM 4062 N N . LYS 188 668 ? B 30.669 27.020 30.540 1.000 2 B 28.988 1 ATOM 4063 C CA . LYS 188 668 ? B 29.924 28.168 31.048 1.000 2 B 28.988 1 ATOM 4064 C C . LYS 188 668 ? B 28.445 28.068 30.683 1.000 2 B 28.988 1 ATOM 4065 O O . LYS 188 668 ? B 28.101 27.827 29.524 1.000 2 B 28.988 1 ATOM 4066 C CB . LYS 188 668 ? B 30.511 29.472 30.505 1.000 2 B 28.988 1 ATOM 4067 C CG . LYS 188 668 ? B 31.751 29.948 31.247 1.000 2 B 28.988 1 ATOM 4068 C CD . LYS 188 668 ? B 32.131 31.368 30.847 1.000 2 B 28.988 1 ATOM 4069 C CE . LYS 188 668 ? B 33.380 31.840 31.578 1.000 2 B 28.988 1 ATOM 4070 N NZ . LYS 188 668 ? B 33.811 33.195 31.120 1.000 2 B 28.988 1 ATOM 4071 N N . ASP 189 669 ? B 27.528 27.549 31.415 1.000 2 B 30.663 1 ATOM 4072 C CA . ASP 189 669 ? B 26.475 28.186 32.199 1.000 2 B 30.663 1 ATOM 4073 C C . ASP 189 669 ? B 26.037 29.504 31.563 1.000 2 B 30.663 1 ATOM 4074 O O . ASP 189 669 ? B 26.870 30.361 31.263 1.000 2 B 30.663 1 ATOM 4075 C CB . ASP 189 669 ? B 26.946 28.426 33.635 1.000 2 B 30.663 1 ATOM 4076 C CG . ASP 189 669 ? B 26.623 27.271 34.566 1.000 2 B 30.663 1 ATOM 4077 O OD1 . ASP 189 669 ? B 25.846 26.372 34.177 1.000 2 B 30.663 1 ATOM 4078 O OD2 . ASP 189 669 ? B 27.149 27.260 35.700 1.000 2 B 30.663 1 ATOM 4079 N N . TRP 190 670 ? B 24.998 29.564 30.662 1.000 2 B 26.736 1 ATOM 4080 C CA . TRP 190 670 ? B 23.929 30.548 30.790 1.000 2 B 26.736 1 ATOM 4081 C C . TRP 190 670 ? B 23.370 30.926 29.423 1.000 2 B 26.736 1 ATOM 4082 O O . TRP 190 670 ? B 24.058 31.556 28.616 1.000 2 B 26.736 1 ATOM 4083 C CB . TRP 190 670 ? B 24.434 31.800 31.513 1.000 2 B 26.736 1 ATOM 4084 C CG . TRP 190 670 ? B 24.338 31.721 33.007 1.000 2 B 26.736 1 ATOM 4085 C CD1 . TRP 190 670 ? B 24.451 32.754 33.896 1.000 2 B 26.736 1 ATOM 4086 C CD2 . TRP 190 670 ? B 24.115 30.543 33.787 1.000 2 B 26.736 1 ATOM 4087 N NE1 . TRP 190 670 ? B 24.311 32.288 35.183 1.000 2 B 26.736 1 ATOM 4088 C CE2 . TRP 190 670 ? B 24.104 30.936 35.144 1.000 2 B 26.736 1 ATOM 4089 C CE3 . TRP 190 670 ? B 23.922 29.191 33.471 1.000 2 B 26.736 1 ATOM 4090 C CZ2 . TRP 190 670 ? B 23.907 30.024 36.184 1.000 2 B 26.736 1 ATOM 4091 C CZ3 . TRP 190 670 ? B 23.727 28.286 34.507 1.000 2 B 26.736 1 ATOM 4092 C CH2 . TRP 190 670 ? B 23.721 28.708 35.846 1.000 2 B 26.736 1 ATOM 4093 N N . VAL 191 671 ? B 22.524 30.170 28.735 1.000 2 B 32.379 1 ATOM 4094 C CA . VAL 191 671 ? B 21.395 30.819 28.077 1.000 2 B 32.379 1 ATOM 4095 C C . VAL 191 671 ? B 20.093 30.138 28.491 1.000 2 B 32.379 1 ATOM 4096 O O . VAL 191 671 ? B 19.955 28.919 28.362 1.000 2 B 32.379 1 ATOM 4097 C CB . VAL 191 671 ? B 21.544 30.795 26.539 1.000 2 B 32.379 1 ATOM 4098 C CG1 . VAL 191 671 ? B 20.304 31.382 25.867 1.000 2 B 32.379 1 ATOM 4099 C CG2 . VAL 191 671 ? B 22.798 31.556 26.113 1.000 2 B 32.379 1 ATOM 4100 N N . LEU 192 672 ? B 19.552 30.342 29.723 1.000 2 B 28.638 1 ATOM 4101 C CA . LEU 192 672 ? B 18.288 30.956 30.114 1.000 2 B 28.638 1 ATOM 4102 C C . LEU 192 672 ? B 17.227 30.747 29.039 1.000 2 B 28.638 1 ATOM 4103 O O . LEU 192 672 ? B 17.478 30.991 27.857 1.000 2 B 28.638 1 ATOM 4104 C CB . LEU 192 672 ? B 18.477 32.452 30.377 1.000 2 B 28.638 1 ATOM 4105 C CG . LEU 192 672 ? B 19.012 32.836 31.758 1.000 2 B 28.638 1 ATOM 4106 C CD1 . LEU 192 672 ? B 19.619 34.234 31.721 1.000 2 B 28.638 1 ATOM 4107 C CD2 . LEU 192 672 ? B 17.904 32.756 32.802 1.000 2 B 28.638 1 ATOM 4108 N N . LYS 193 673 ? B 16.215 29.907 29.253 1.000 2 B 25.565 1 ATOM 4109 C CA . LYS 193 673 ? B 14.851 30.347 29.535 1.000 2 B 25.565 1 ATOM 4110 C C . LYS 193 673 ? B 14.100 30.670 28.247 1.000 2 B 25.565 1 ATOM 4111 O O . LYS 193 673 ? B 14.595 31.424 27.406 1.000 2 B 25.565 1 ATOM 4112 C CB . LYS 193 673 ? B 14.861 31.567 30.457 1.000 2 B 25.565 1 ATOM 4113 C CG . LYS 193 673 ? B 14.528 31.250 31.907 1.000 2 B 25.565 1 ATOM 4114 C CD . LYS 193 673 ? B 14.462 32.513 32.755 1.000 2 B 25.565 1 ATOM 4115 C CE . LYS 193 673 ? B 14.250 32.190 34.228 1.000 2 B 25.565 1 ATOM 4116 N NZ . LYS 193 673 ? B 14.218 33.424 35.068 1.000 2 B 25.565 1 ATOM 4117 N N . ILE 194 674 ? B 13.224 29.786 27.747 1.000 2 B 26.518 1 ATOM 4118 C CA . ILE 194 674 ? B 11.790 29.736 27.483 1.000 2 B 26.518 1 ATOM 4119 C C . ILE 194 674 ? B 11.486 30.420 26.152 1.000 2 B 26.518 1 ATOM 4120 O O . ILE 194 674 ? B 11.787 31.602 25.971 1.000 2 B 26.518 1 ATOM 4121 C CB . ILE 194 674 ? B 10.982 30.397 28.622 1.000 2 B 26.518 1 ATOM 4122 C CG1 . ILE 194 674 ? B 11.218 29.657 29.943 1.000 2 B 26.518 1 ATOM 4123 C CG2 . ILE 194 674 ? B 9.491 30.436 28.275 1.000 2 B 26.518 1 ATOM 4124 C CD1 . ILE 194 674 ? B 10.627 30.357 31.159 1.000 2 B 26.518 1 ATOM 4125 N N . LEU 195 675 ? B 11.322 29.664 25.083 1.000 2 B 27.318 1 ATOM 4126 C CA . LEU 195 675 ? B 10.305 30.040 24.106 1.000 2 B 27.318 1 ATOM 4127 C C . LEU 195 675 ? B 9.123 29.077 24.155 1.000 2 B 27.318 1 ATOM 4128 O O . LEU 195 675 ? B 9.294 27.868 23.985 1.000 2 B 27.318 1 ATOM 4129 C CB . LEU 195 675 ? B 10.900 30.064 22.696 1.000 2 B 27.318 1 ATOM 4130 C CG . LEU 195 675 ? B 11.218 31.444 22.118 1.000 2 B 27.318 1 ATOM 4131 C CD1 . LEU 195 675 ? B 12.711 31.570 21.837 1.000 2 B 27.318 1 ATOM 4132 C CD2 . LEU 195 675 ? B 10.407 31.693 20.850 1.000 2 B 27.318 1 ATOM 4133 N N . PRO 196 676 ? B 7.959 29.384 24.929 1.000 2 B 31.999 1 ATOM 4134 C CA . PRO 196 676 ? B 6.697 28.765 24.518 1.000 2 B 31.999 1 ATOM 4135 C C . PRO 196 676 ? B 5.985 29.550 23.419 1.000 2 B 31.999 1 ATOM 4136 O O . PRO 196 676 ? B 5.993 30.783 23.433 1.000 2 B 31.999 1 ATOM 4137 C CB . PRO 196 676 ? B 5.872 28.758 25.807 1.000 2 B 31.999 1 ATOM 4138 C CG . PRO 196 676 ? B 6.279 30.002 26.529 1.000 2 B 31.999 1 ATOM 4139 C CD . PRO 196 676 ? B 7.371 30.672 25.745 1.000 2 B 31.999 1 ATOM 4140 N N . TYR 197 677 ? B 6.082 29.164 22.083 1.000 2 B 29.591 1 ATOM 4141 C CA . TYR 197 677 ? B 4.953 29.396 21.189 1.000 2 B 29.591 1 ATOM 4142 C C . TYR 197 677 ? B 5.135 28.647 19.874 1.000 2 B 29.591 1 ATOM 4143 O O . TYR 197 677 ? B 6.119 28.861 19.162 1.000 2 B 29.591 1 ATOM 4144 C CB . TYR 197 677 ? B 4.781 30.893 20.917 1.000 2 B 29.591 1 ATOM 4145 C CG . TYR 197 677 ? B 3.489 31.463 21.451 1.000 2 B 29.591 1 ATOM 4146 C CD1 . TYR 197 677 ? B 2.353 31.540 20.648 1.000 2 B 29.591 1 ATOM 4147 C CD2 . TYR 197 677 ? B 3.402 31.926 22.760 1.000 2 B 29.591 1 ATOM 4148 C CE1 . TYR 197 677 ? B 1.162 32.065 21.136 1.000 2 B 29.591 1 ATOM 4149 C CE2 . TYR 197 677 ? B 2.215 32.454 23.258 1.000 2 B 29.591 1 ATOM 4150 C CZ . TYR 197 677 ? B 1.102 32.519 22.440 1.000 2 B 29.591 1 ATOM 4151 O OH . TYR 197 677 ? B -0.075 33.041 22.928 1.000 2 B 29.591 1 ATOM 4152 N N . LEU 198 678 ? B 4.758 27.422 19.767 1.000 2 B 28.405 1 ATOM 4153 C CA . LEU 198 678 ? B 3.909 27.112 18.622 1.000 2 B 28.405 1 ATOM 4154 C C . LEU 198 678 ? B 3.453 25.658 18.661 1.000 2 B 28.405 1 ATOM 4155 O O . LEU 198 678 ? B 4.279 24.745 18.725 1.000 2 B 28.405 1 ATOM 4156 C CB . LEU 198 678 ? B 4.652 27.392 17.313 1.000 2 B 28.405 1 ATOM 4157 C CG . LEU 198 678 ? B 4.012 28.416 16.375 1.000 2 B 28.405 1 ATOM 4158 C CD1 . LEU 198 678 ? B 4.611 29.798 16.612 1.000 2 B 28.405 1 ATOM 4159 C CD2 . LEU 198 678 ? B 4.189 27.993 14.920 1.000 2 B 28.405 1 ATOM 4160 N N . ASP 199 679 ? B 2.475 25.253 19.477 1.000 2 B 24.551 1 ATOM 4161 C CA . ASP 199 679 ? B 1.415 24.399 18.949 1.000 2 B 24.551 1 ATOM 4162 C C . ASP 199 679 ? B 1.491 24.309 17.426 1.000 2 B 24.551 1 ATOM 4163 O O . ASP 199 679 ? B 1.337 25.315 16.731 1.000 2 B 24.551 1 ATOM 4164 C CB . ASP 199 679 ? B 0.042 24.920 19.377 1.000 2 B 24.551 1 ATOM 4165 C CG . ASP 199 679 ? B -0.877 23.823 19.884 1.000 2 B 24.551 1 ATOM 4166 O OD1 . ASP 199 679 ? B -0.457 22.646 19.926 1.000 2 B 24.551 1 ATOM 4167 O OD2 . ASP 199 679 ? B -2.032 24.137 20.243 1.000 2 B 24.551 1 ATOM 4168 N N . LYS 200 680 ? B 2.426 23.535 16.776 1.000 2 B 30.761 1 ATOM 4169 C CA . LYS 200 680 ? B 2.336 22.780 15.529 1.000 2 B 30.761 1 ATOM 4170 C C . LYS 200 680 ? B 3.387 21.675 15.479 1.000 2 B 30.761 1 ATOM 4171 O O . LYS 200 680 ? B 4.577 21.933 15.672 1.000 2 B 30.761 1 ATOM 4172 C CB . LYS 200 680 ? B 2.496 23.710 14.326 1.000 2 B 30.761 1 ATOM 4173 C CG . LYS 200 680 ? B 1.252 24.527 14.006 1.000 2 B 30.761 1 ATOM 4174 C CD . LYS 200 680 ? B 1.416 25.309 12.709 1.000 2 B 30.761 1 ATOM 4175 C CE . LYS 200 680 ? B 0.205 26.189 12.429 1.000 2 B 30.761 1 ATOM 4176 N NZ . LYS 200 680 ? B 0.353 26.943 11.148 1.000 2 B 30.761 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-t3vr3-108 https://modelarchive.org/api/projects/ma-t3vr3-108?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-t3vr3-108_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 O43684-D1_Q8NG31-D4.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 70.697 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 32.370 2 1 A 2 THR 2 37.732 3 1 A 3 GLY 2 46.875 4 1 A 4 SER 2 66.481 5 1 A 5 ASN 2 90.655 6 1 A 6 GLU 2 95.251 7 1 A 7 PHE 2 96.870 8 1 A 8 LYS 2 97.403 9 1 A 9 LEU 2 97.568 10 1 A 10 ASN 2 96.334 11 1 A 11 GLN 2 96.529 12 1 A 12 PRO 2 95.247 13 1 A 13 PRO 2 96.420 14 1 A 14 GLU 2 95.546 15 1 A 15 ASP 2 95.590 16 1 A 16 GLY 2 96.137 17 1 A 17 ILE 2 98.284 18 1 A 18 SER 2 98.091 19 1 A 19 SER 2 98.364 20 1 A 20 VAL 2 98.685 21 1 A 21 LYS 2 98.130 22 1 A 22 PHE 2 98.281 23 1 A 23 SER 2 96.586 24 1 A 24 PRO 2 91.538 25 1 A 25 ASN 2 91.084 26 1 A 26 THR 2 93.349 27 1 A 27 SER 2 94.442 28 1 A 28 GLN 2 96.393 29 1 A 29 PHE 2 97.787 30 1 A 30 LEU 2 98.551 31 1 A 31 LEU 2 98.620 32 1 A 32 VAL 2 98.736 33 1 A 33 SER 2 98.685 34 1 A 34 SER 2 98.559 35 1 A 35 TRP 2 97.952 36 1 A 36 ASP 2 97.605 37 1 A 37 THR 2 98.509 38 1 A 38 SER 2 98.291 39 1 A 39 VAL 2 98.489 40 1 A 40 ARG 2 98.385 41 1 A 41 LEU 2 98.236 42 1 A 42 TYR 2 98.418 43 1 A 43 ASP 2 97.586 44 1 A 44 VAL 2 97.348 45 1 A 45 PRO 2 95.681 46 1 A 46 ALA 2 97.033 47 1 A 47 ASN 2 96.967 48 1 A 48 SER 2 97.614 49 1 A 49 MET 2 97.613 50 1 A 50 ARG 2 96.506 51 1 A 51 LEU 2 97.089 52 1 A 52 LYS 2 97.603 53 1 A 53 TYR 2 97.907 54 1 A 54 GLN 2 97.326 55 1 A 55 HIS 2 98.107 56 1 A 56 THR 2 97.645 57 1 A 57 GLY 2 97.608 58 1 A 58 ALA 2 98.219 59 1 A 59 VAL 2 98.586 60 1 A 60 LEU 2 98.547 61 1 A 61 ASP 2 98.670 62 1 A 62 CYS 2 98.536 63 1 A 63 ALA 2 98.204 64 1 A 64 PHE 2 97.997 65 1 A 65 TYR 2 95.713 66 1 A 66 ASP 2 94.629 67 1 A 67 PRO 2 94.386 68 1 A 68 THR 2 94.792 69 1 A 69 HIS 2 96.746 70 1 A 70 ALA 2 98.072 71 1 A 71 TRP 2 98.459 72 1 A 72 SER 2 98.727 73 1 A 73 GLY 2 98.531 74 1 A 74 GLY 2 98.224 75 1 A 75 LEU 2 98.326 76 1 A 76 ASP 2 97.956 77 1 A 77 HIS 2 98.415 78 1 A 78 GLN 2 98.215 79 1 A 79 LEU 2 98.505 80 1 A 80 LYS 2 97.923 81 1 A 81 MET 2 97.572 82 1 A 82 HIS 2 97.357 83 1 A 83 ASP 2 96.547 84 1 A 84 LEU 2 96.100 85 1 A 85 ASN 2 95.288 86 1 A 86 THR 2 95.668 87 1 A 87 ASP 2 94.742 88 1 A 88 GLN 2 95.786 89 1 A 89 GLU 2 94.885 90 1 A 90 ASN 2 95.132 91 1 A 91 LEU 2 96.732 92 1 A 92 VAL 2 97.168 93 1 A 93 GLY 2 97.487 94 1 A 94 THR 2 98.209 95 1 A 95 HIS 2 98.592 96 1 A 96 ASP 2 98.316 97 1 A 97 ALA 2 98.441 98 1 A 98 PRO 2 98.568 99 1 A 99 ILE 2 98.641 100 1 A 100 ARG 2 98.403 101 1 A 101 CYS 2 98.289 102 1 A 102 VAL 2 98.601 103 1 A 103 GLU 2 97.987 104 1 A 104 TYR 2 97.894 105 1 A 105 CYS 2 97.443 106 1 A 106 PRO 2 95.860 107 1 A 107 GLU 2 96.196 108 1 A 108 VAL 2 96.750 109 1 A 109 ASN 2 96.449 110 1 A 110 VAL 2 97.363 111 1 A 111 MET 2 98.220 112 1 A 112 VAL 2 98.560 113 1 A 113 THR 2 98.802 114 1 A 114 GLY 2 98.609 115 1 A 115 SER 2 98.675 116 1 A 116 TRP 2 98.525 117 1 A 117 ASP 2 98.343 118 1 A 118 GLN 2 98.490 119 1 A 119 THR 2 98.583 120 1 A 120 VAL 2 98.582 121 1 A 121 LYS 2 98.547 122 1 A 122 LEU 2 98.323 123 1 A 123 TRP 2 98.061 124 1 A 124 ASP 2 95.592 125 1 A 125 PRO 2 94.093 126 1 A 126 ARG 2 91.925 127 1 A 127 THR 2 90.204 128 1 A 128 PRO 2 84.129 129 1 A 129 CYS 2 90.847 130 1 A 130 ASN 2 95.798 131 1 A 131 ALA 2 95.460 132 1 A 132 GLY 2 96.431 133 1 A 133 THR 2 98.066 134 1 A 134 PHE 2 98.081 135 1 A 135 SER 2 97.851 136 1 A 136 GLN 2 97.598 137 1 A 137 PRO 2 97.037 138 1 A 138 GLU 2 97.731 139 1 A 139 LYS 2 98.169 140 1 A 140 VAL 2 98.343 141 1 A 141 TYR 2 97.868 142 1 A 142 THR 2 98.377 143 1 A 143 LEU 2 97.663 144 1 A 144 SER 2 98.291 145 1 A 145 VAL 2 97.964 146 1 A 146 SER 2 97.363 147 1 A 147 GLY 2 96.336 148 1 A 148 ASP 2 96.684 149 1 A 149 ARG 2 97.912 150 1 A 150 LEU 2 98.576 151 1 A 151 ILE 2 98.597 152 1 A 152 VAL 2 98.580 153 1 A 153 GLY 2 98.295 154 1 A 154 THR 2 97.857 155 1 A 155 ALA 2 95.615 156 1 A 156 GLY 2 94.609 157 1 A 157 ARG 2 95.352 158 1 A 158 ARG 2 97.444 159 1 A 159 VAL 2 98.136 160 1 A 160 LEU 2 98.250 161 1 A 161 VAL 2 98.169 162 1 A 162 TRP 2 98.262 163 1 A 163 ASP 2 97.495 164 1 A 164 LEU 2 97.336 165 1 A 165 ARG 2 95.630 166 1 A 166 ASN 2 95.034 167 1 A 167 MET 2 95.443 168 1 A 168 GLY 2 93.322 169 1 A 169 TYR 2 94.333 170 1 A 170 VAL 2 96.152 171 1 A 171 GLN 2 95.717 172 1 A 172 GLN 2 96.227 173 1 A 173 ARG 2 96.956 174 1 A 174 ARG 2 96.170 175 1 A 175 GLU 2 95.288 176 1 A 176 SER 2 93.822 177 1 A 177 SER 2 94.137 178 1 A 178 LEU 2 95.647 179 1 A 179 LYS 2 94.180 180 1 A 180 TYR 2 94.326 181 1 A 181 GLN 2 95.077 182 1 A 182 THR 2 95.699 183 1 A 183 ARG 2 95.467 184 1 A 184 CYS 2 97.541 185 1 A 185 ILE 2 98.420 186 1 A 186 ARG 2 98.480 187 1 A 187 ALA 2 98.193 188 1 A 188 PHE 2 97.697 189 1 A 189 PRO 2 96.503 190 1 A 190 ASN 2 96.025 191 1 A 191 LYS 2 96.739 192 1 A 192 GLN 2 96.114 193 1 A 193 GLY 2 97.051 194 1 A 194 TYR 2 98.358 195 1 A 195 VAL 2 98.553 196 1 A 196 LEU 2 98.090 197 1 A 197 SER 2 98.196 198 1 A 198 SER 2 96.461 199 1 A 199 ILE 2 95.575 200 1 A 200 GLU 2 94.803 201 1 A 201 GLY 2 96.383 202 1 A 202 ARG 2 97.744 203 1 A 203 VAL 2 98.328 204 1 A 204 ALA 2 98.365 205 1 A 205 VAL 2 98.307 206 1 A 206 GLU 2 97.784 207 1 A 207 TYR 2 97.460 208 1 A 208 LEU 2 97.057 209 1 A 209 ASP 2 96.321 210 1 A 210 PRO 2 94.924 211 1 A 211 SER 2 96.883 212 1 A 212 PRO 2 95.845 213 1 A 213 GLU 2 96.448 214 1 A 214 VAL 2 96.294 215 1 A 215 GLN 2 95.635 216 1 A 216 LYS 2 95.408 217 1 A 217 LYS 2 95.890 218 1 A 218 LYS 2 96.341 219 1 A 219 TYR 2 97.872 220 1 A 220 ALA 2 97.866 221 1 A 221 PHE 2 97.717 222 1 A 222 LYS 2 96.894 223 1 A 223 CYS 2 96.468 224 1 A 224 HIS 2 97.345 225 1 A 225 ARG 2 94.999 226 1 A 226 LEU 2 92.683 227 1 A 227 LYS 2 91.147 228 1 A 228 GLU 2 89.176 229 1 A 229 ASN 2 88.818 230 1 A 230 ASN 2 88.118 231 1 A 231 ILE 2 92.579 232 1 A 232 GLU 2 93.212 233 1 A 233 GLN 2 93.444 234 1 A 234 ILE 2 95.318 235 1 A 235 TYR 2 96.563 236 1 A 236 PRO 2 97.212 237 1 A 237 VAL 2 98.119 238 1 A 238 ASN 2 97.897 239 1 A 239 ALA 2 98.208 240 1 A 240 ILE 2 98.683 241 1 A 241 SER 2 98.473 242 1 A 242 PHE 2 98.393 243 1 A 243 HIS 2 97.522 244 1 A 244 ASN 2 94.531 245 1 A 245 ILE 2 95.136 246 1 A 246 HIS 2 95.787 247 1 A 247 ASN 2 96.073 248 1 A 248 THR 2 97.885 249 1 A 249 PHE 2 98.514 250 1 A 250 ALA 2 98.703 251 1 A 251 THR 2 98.804 252 1 A 252 GLY 2 98.538 253 1 A 253 GLY 2 97.359 254 1 A 254 SER 2 97.016 255 1 A 255 ASP 2 96.160 256 1 A 256 GLY 2 97.227 257 1 A 257 PHE 2 98.148 258 1 A 258 VAL 2 98.563 259 1 A 259 ASN 2 98.475 260 1 A 260 ILE 2 98.365 261 1 A 261 TRP 2 98.399 262 1 A 262 ASP 2 97.226 263 1 A 263 PRO 2 96.296 264 1 A 264 PHE 2 94.305 265 1 A 265 ASN 2 94.759 266 1 A 266 LYS 2 94.910 267 1 A 267 LYS 2 95.089 268 1 A 268 ARG 2 96.518 269 1 A 269 LEU 2 96.438 270 1 A 270 CYS 2 96.003 271 1 A 271 GLN 2 96.762 272 1 A 272 PHE 2 96.976 273 1 A 273 HIS 2 95.993 274 1 A 274 ARG 2 97.293 275 1 A 275 TYR 2 97.526 276 1 A 276 PRO 2 96.767 277 1 A 277 THR 2 96.289 278 1 A 278 SER 2 97.564 279 1 A 279 ILE 2 98.491 280 1 A 280 ALA 2 98.100 281 1 A 281 SER 2 98.650 282 1 A 282 LEU 2 98.761 283 1 A 283 ALA 2 98.468 284 1 A 284 PHE 2 98.334 285 1 A 285 SER 2 97.432 286 1 A 286 ASN 2 94.436 287 1 A 287 ASP 2 95.276 288 1 A 288 GLY 2 95.305 289 1 A 289 THR 2 95.445 290 1 A 290 THR 2 97.314 291 1 A 291 LEU 2 98.428 292 1 A 292 ALA 2 98.648 293 1 A 293 ILE 2 98.678 294 1 A 294 ALA 2 98.621 295 1 A 295 SER 2 98.305 296 1 A 296 SER 2 97.615 297 1 A 297 TYR 2 94.778 298 1 A 298 MET 2 91.908 299 1 A 299 TYR 2 89.101 300 1 A 300 GLU 2 86.083 301 1 A 301 MET 2 83.872 302 1 A 302 ASP 2 84.012 303 1 A 303 ASP 2 84.570 304 1 A 304 THR 2 89.027 305 1 A 305 GLU 2 87.994 306 1 A 306 HIS 2 89.556 307 1 A 307 PRO 2 93.460 308 1 A 308 GLU 2 94.211 309 1 A 309 ASP 2 96.398 310 1 A 310 GLY 2 97.664 311 1 A 311 ILE 2 98.478 312 1 A 312 PHE 2 98.327 313 1 A 313 ILE 2 98.208 314 1 A 314 ARG 2 97.357 315 1 A 315 GLN 2 96.659 316 1 A 316 VAL 2 94.638 317 1 A 317 THR 2 94.032 318 1 A 318 ASP 2 93.351 319 1 A 319 ALA 2 92.919 320 1 A 320 GLU 2 93.969 321 1 A 321 THR 2 95.222 322 1 A 322 LYS 2 94.857 323 1 A 323 PRO 2 93.528 324 1 A 324 LYS 2 89.003 325 1 A 325 SER 2 80.474 326 1 A 326 PRO 2 64.893 327 1 A 327 CYS 2 56.800 328 1 A 328 THR 2 41.307 329 1 B 1 HIS 2 30.790 330 1 B 2 ASP 2 31.078 331 1 B 3 SER 2 28.580 332 1 B 4 ASN 2 31.644 333 1 B 5 TYR 2 30.956 334 1 B 6 ALA 2 37.775 335 1 B 7 LYS 2 29.045 336 1 B 8 MET 2 23.261 337 1 B 9 TYR 2 27.880 338 1 B 10 CYS 2 21.250 339 1 B 11 ASN 2 30.328 340 1 B 12 PRO 2 40.944 341 1 B 13 ASP 2 30.886 342 1 B 14 ALA 2 31.077 343 1 B 15 MET 2 29.233 344 1 B 16 SER 2 32.808 345 1 B 17 SER 2 32.453 346 1 B 18 LEU 2 27.153 347 1 B 19 THR 2 32.448 348 1 B 20 GLU 2 26.630 349 1 B 21 LYS 2 33.892 350 1 B 22 THR 2 29.539 351 1 B 23 ILE 2 28.598 352 1 B 24 TYR 2 34.905 353 1 B 25 SER 2 32.466 354 1 B 26 GLY 2 31.020 355 1 B 27 GLU 2 34.303 356 1 B 28 GLU 2 37.828 357 1 B 29 ASN 2 40.337 358 1 B 30 MET 2 40.768 359 1 B 31 ASP 2 39.922 360 1 B 32 ILE 2 51.807 361 1 B 33 THR 2 52.634 362 1 B 34 LYS 2 51.106 363 1 B 35 SER 2 56.845 364 1 B 36 HIS 2 62.929 365 1 B 37 THR 2 71.725 366 1 B 38 VAL 2 77.397 367 1 B 39 ALA 2 76.029 368 1 B 40 ILE 2 77.313 369 1 B 41 ASP 2 74.325 370 1 B 42 ASN 2 65.682 371 1 B 43 GLN 2 62.417 372 1 B 44 ILE 2 52.585 373 1 B 45 PHE 2 42.491 374 1 B 46 LYS 2 40.080 375 1 B 47 GLN 2 32.648 376 1 B 48 ASP 2 34.511 377 1 B 49 GLN 2 34.661 378 1 B 50 SER 2 30.383 379 1 B 51 ASN 2 25.962 380 1 B 52 VAL 2 30.202 381 1 B 53 GLN 2 26.790 382 1 B 54 ILE 2 32.224 383 1 B 55 ALA 2 23.242 384 1 B 56 ALA 2 25.363 385 1 B 57 ALA 2 25.476 386 1 B 58 PRO 2 29.946 387 1 B 59 THR 2 24.941 388 1 B 60 PRO 2 30.747 389 1 B 61 GLU 2 26.517 390 1 B 62 LYS 2 26.698 391 1 B 63 GLU 2 26.002 392 1 B 64 MET 2 29.867 393 1 B 65 MET 2 24.683 394 1 B 66 LEU 2 30.284 395 1 B 67 GLN 2 25.961 396 1 B 68 ASN 2 24.149 397 1 B 69 LEU 2 28.018 398 1 B 70 MET 2 21.642 399 1 B 71 THR 2 25.833 400 1 B 72 THR 2 25.339 401 1 B 73 SER 2 24.916 402 1 B 74 GLU 2 30.273 403 1 B 75 ASP 2 26.377 404 1 B 76 GLY 2 31.076 405 1 B 77 LYS 2 26.533 406 1 B 78 MET 2 25.168 407 1 B 79 ASN 2 22.122 408 1 B 80 VAL 2 26.392 409 1 B 81 ASN 2 20.849 410 1 B 82 CYS 2 23.497 411 1 B 83 ASN 2 22.203 412 1 B 84 SER 2 29.530 413 1 B 85 VAL 2 23.875 414 1 B 86 PRO 2 29.769 415 1 B 87 HIS 2 23.835 416 1 B 88 VAL 2 20.940 417 1 B 89 SER 2 29.406 418 1 B 90 LYS 2 25.201 419 1 B 91 GLU 2 29.060 420 1 B 92 ARG 2 22.602 421 1 B 93 ILE 2 31.453 422 1 B 94 GLN 2 20.981 423 1 B 95 GLN 2 31.086 424 1 B 96 SER 2 23.752 425 1 B 97 LEU 2 24.960 426 1 B 98 SER 2 31.022 427 1 B 99 ASN 2 24.110 428 1 B 100 PRO 2 33.742 429 1 B 101 LEU 2 27.986 430 1 B 102 SER 2 22.292 431 1 B 103 ILE 2 28.563 432 1 B 104 SER 2 21.852 433 1 B 105 LEU 2 25.854 434 1 B 106 THR 2 21.610 435 1 B 107 ASP 2 26.122 436 1 B 108 ARG 2 27.105 437 1 B 109 LYS 2 26.840 438 1 B 110 THR 2 23.124 439 1 B 111 GLU 2 25.976 440 1 B 112 LEU 2 23.791 441 1 B 113 LEU 2 26.420 442 1 B 114 SER 2 27.808 443 1 B 115 GLY 2 30.262 444 1 B 116 GLU 2 31.540 445 1 B 117 ASN 2 32.247 446 1 B 118 MET 2 33.053 447 1 B 119 ASP 2 30.364 448 1 B 120 LEU 2 33.399 449 1 B 121 THR 2 29.298 450 1 B 122 GLU 2 27.431 451 1 B 123 SER 2 25.313 452 1 B 124 HIS 2 26.495 453 1 B 125 THR 2 28.554 454 1 B 126 SER 2 23.551 455 1 B 127 ASN 2 27.121 456 1 B 128 LEU 2 25.680 457 1 B 129 GLY 2 22.388 458 1 B 130 SER 2 30.332 459 1 B 131 GLN 2 24.431 460 1 B 132 VAL 2 28.959 461 1 B 133 PRO 2 30.589 462 1 B 134 LEU 2 21.128 463 1 B 135 ALA 2 26.809 464 1 B 136 ALA 2 21.214 465 1 B 137 TYR 2 22.273 466 1 B 138 ASN 2 24.933 467 1 B 139 LEU 2 23.251 468 1 B 140 ALA 2 25.493 469 1 B 141 PRO 2 30.653 470 1 B 142 GLU 2 24.751 471 1 B 143 SER 2 20.773 472 1 B 144 THR 2 22.355 473 1 B 145 SER 2 23.554 474 1 B 146 GLU 2 22.633 475 1 B 147 SER 2 27.589 476 1 B 148 HIS 2 24.012 477 1 B 149 SER 2 30.889 478 1 B 150 GLN 2 22.118 479 1 B 151 SER 2 27.497 480 1 B 152 LYS 2 30.073 481 1 B 153 SER 2 26.243 482 1 B 154 SER 2 26.705 483 1 B 155 SER 2 25.316 484 1 B 156 ASP 2 30.663 485 1 B 157 GLU 2 22.940 486 1 B 158 CYS 2 27.178 487 1 B 159 GLU 2 25.269 488 1 B 160 GLU 2 23.377 489 1 B 161 ILE 2 29.061 490 1 B 162 THR 2 27.281 491 1 B 163 LYS 2 25.472 492 1 B 164 SER 2 24.614 493 1 B 165 ARG 2 24.573 494 1 B 166 ASN 2 23.484 495 1 B 167 GLU 2 26.315 496 1 B 168 PRO 2 30.809 497 1 B 169 PHE 2 24.408 498 1 B 170 GLN 2 25.159 499 1 B 171 ARG 2 22.196 500 1 B 172 SER 2 29.648 501 1 B 173 ASP 2 24.238 502 1 B 174 ILE 2 30.329 503 1 B 175 ILE 2 23.601 504 1 B 176 ALA 2 29.045 505 1 B 177 LYS 2 21.095 506 1 B 178 ASN 2 26.092 507 1 B 179 SER 2 25.048 508 1 B 180 LEU 2 32.191 509 1 B 181 THR 2 23.212 510 1 B 182 ASP 2 29.035 511 1 B 183 THR 2 26.963 512 1 B 184 TRP 2 34.012 513 1 B 185 ASN 2 27.041 514 1 B 186 LYS 2 26.758 515 1 B 187 ASP 2 35.017 516 1 B 188 LYS 2 28.988 517 1 B 189 ASP 2 30.663 518 1 B 190 TRP 2 26.736 519 1 B 191 VAL 2 32.379 520 1 B 192 LEU 2 28.638 521 1 B 193 LYS 2 25.565 522 1 B 194 ILE 2 26.518 523 1 B 195 LEU 2 27.318 524 1 B 196 PRO 2 31.999 525 1 B 197 TYR 2 29.591 526 1 B 198 LEU 2 28.405 527 1 B 199 ASP 2 24.551 528 1 B 200 LYS 2 30.761 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-108 _database_2.pdbx_DOI 10.5452/ma-t3vr3-108 _pdbx_database_status.entry_id ma-t3vr3-108 _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'