data_ma-ornl-sphdiv-16319 _entry.id ma-ornl-sphdiv-16319 _entry.ma_collection_id ma-ornl-sphdiv _struct.entry_id ma-ornl-sphdiv-16319 _struct.pdbx_model_details 'AlphaFold v2.0 was used to predict 5 structural models which were ranked with the pTM metric. The top ranked model was energy minimized with OpenMM version 7.6. The Amber ff99SB force field was used for parameters. MSAs and structural templates were calculated using Kalign, HMMER, and HHSuite using the MGnify, UniRef90, UniClust30, pdb70, RCSB PDB, and reduced BFD sequence libraries.' _struct.pdbx_structure_determination_methodology computational _struct.title 'AlphaFold2 model of Sphmag09G091300.1' _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 'Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer' 'In 2022 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW)' . 206 215 2022 . 10.1109/IPDPSW55747.2022.00045 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 'Gao M' 1 primary 'Coletti M' 2 primary 'Davidson RB' 3 primary 'Prout R' 4 primary 'Abraham S' 5 primary 'Hernandez B' 6 primary 'Sedova A' 7 2 'Jumper J' 8 2 'Evans R' 9 2 'Pritzel A' 10 2 'Green T' 11 2 'Figurnov M' 12 2 'Ronneberger O' 13 2 'Tunyasuvunakool K' 14 2 'Bates R' 15 2 'Zidek A' 16 2 'Potapenko A' 17 2 'Bridgland A' 18 2 'Meyer C' 19 2 'Kohl SAA' 20 2 'Ballard AJ' 21 2 'Cowie A' 22 2 'Romera-Paredes B' 23 2 'Nikolov S' 24 2 'Jain R' 25 2 'Adler J' 26 2 'Back T' 27 2 'Petersen S' 28 2 'Reiman D' 29 2 'Clancy E' 30 2 'Zielinski M' 31 2 'Steinegger M' 32 2 'Pacholska M' 33 2 'Berghammer T' 34 2 'Bodenstein S' 35 2 'Silver D' 36 2 'Vinyals O' 37 2 'Senior AW' 38 2 'Kavukcuoglu K' 39 2 'Kohli P' 40 2 'Hassabis D' 41 loop_ _software.pdbx_ordinal _software.name _software.classification _software.description _software.version _software.type _software.location _software.citation_id 1 AlphaFold 'model building' . 2.0.1 program 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 'Gao M' 1 'Coletti M' 2 'Davidson RB' 3 'Prout R' 4 'Abraham S' 5 'Hernandez B' 6 'Sedova A' 7 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' 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 man Sphmag09G091300.1 34947.402 1 . 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 Other Phytozyme . 41913211 ? 1 269 2779801 'Sphagnum divinum' . . 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 ;MTTFYVSHGSPMQAFENTPATDFFKEFSKRHMHERPKAVIAISGHWDTAVPSVTVASRNSTIHDFYGFPK ELYELEYTAPGAPELAKRVKELLLKAGFKTVVEDNKRGLDHGAWMPLLLMYPEADIPVIQLSVQSSKDGA HHYKLGRALASLKDEGYLILGSGTTTHNLRQLDRNATGVEPWVKEFDQWLYESLTNNRYEDVINWSTKAP HARRAHPSSDHFMPLLIALGAAGEEPTSERIHSSFELGTLSMAAFAFDGAKSEKKQSSV ; ;MTTFYVSHGSPMQAFENTPATDFFKEFSKRHMHERPKAVIAISGHWDTAVPSVTVASRNSTIHDFYGFPK ELYELEYTAPGAPELAKRVKELLLKAGFKTVVEDNKRGLDHGAWMPLLLMYPEADIPVIQLSVQSSKDGA HHYKLGRALASLKDEGYLILGSGTTTHNLRQLDRNATGVEPWVKEFDQWLYESLTNNRYEDVINWSTKAP HARRAHPSSDHFMPLLIALGAAGEEPTSERIHSSFELGTLSMAAFAFDGAKSEKKQSSV ; 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 THR . 1 4 PHE . 1 5 TYR . 1 6 VAL . 1 7 SER . 1 8 HIS . 1 9 GLY . 1 10 SER . 1 11 PRO . 1 12 MET . 1 13 GLN . 1 14 ALA . 1 15 PHE . 1 16 GLU . 1 17 ASN . 1 18 THR . 1 19 PRO . 1 20 ALA . 1 21 THR . 1 22 ASP . 1 23 PHE . 1 24 PHE . 1 25 LYS . 1 26 GLU . 1 27 PHE . 1 28 SER . 1 29 LYS . 1 30 ARG . 1 31 HIS . 1 32 MET . 1 33 HIS . 1 34 GLU . 1 35 ARG . 1 36 PRO . 1 37 LYS . 1 38 ALA . 1 39 VAL . 1 40 ILE . 1 41 ALA . 1 42 ILE . 1 43 SER . 1 44 GLY . 1 45 HIS . 1 46 TRP . 1 47 ASP . 1 48 THR . 1 49 ALA . 1 50 VAL . 1 51 PRO . 1 52 SER . 1 53 VAL . 1 54 THR . 1 55 VAL . 1 56 ALA . 1 57 SER . 1 58 ARG . 1 59 ASN . 1 60 SER . 1 61 THR . 1 62 ILE . 1 63 HIS . 1 64 ASP . 1 65 PHE . 1 66 TYR . 1 67 GLY . 1 68 PHE . 1 69 PRO . 1 70 LYS . 1 71 GLU . 1 72 LEU . 1 73 TYR . 1 74 GLU . 1 75 LEU . 1 76 GLU . 1 77 TYR . 1 78 THR . 1 79 ALA . 1 80 PRO . 1 81 GLY . 1 82 ALA . 1 83 PRO . 1 84 GLU . 1 85 LEU . 1 86 ALA . 1 87 LYS . 1 88 ARG . 1 89 VAL . 1 90 LYS . 1 91 GLU . 1 92 LEU . 1 93 LEU . 1 94 LEU . 1 95 LYS . 1 96 ALA . 1 97 GLY . 1 98 PHE . 1 99 LYS . 1 100 THR . 1 101 VAL . 1 102 VAL . 1 103 GLU . 1 104 ASP . 1 105 ASN . 1 106 LYS . 1 107 ARG . 1 108 GLY . 1 109 LEU . 1 110 ASP . 1 111 HIS . 1 112 GLY . 1 113 ALA . 1 114 TRP . 1 115 MET . 1 116 PRO . 1 117 LEU . 1 118 LEU . 1 119 LEU . 1 120 MET . 1 121 TYR . 1 122 PRO . 1 123 GLU . 1 124 ALA . 1 125 ASP . 1 126 ILE . 1 127 PRO . 1 128 VAL . 1 129 ILE . 1 130 GLN . 1 131 LEU . 1 132 SER . 1 133 VAL . 1 134 GLN . 1 135 SER . 1 136 SER . 1 137 LYS . 1 138 ASP . 1 139 GLY . 1 140 ALA . 1 141 HIS . 1 142 HIS . 1 143 TYR . 1 144 LYS . 1 145 LEU . 1 146 GLY . 1 147 ARG . 1 148 ALA . 1 149 LEU . 1 150 ALA . 1 151 SER . 1 152 LEU . 1 153 LYS . 1 154 ASP . 1 155 GLU . 1 156 GLY . 1 157 TYR . 1 158 LEU . 1 159 ILE . 1 160 LEU . 1 161 GLY . 1 162 SER . 1 163 GLY . 1 164 THR . 1 165 THR . 1 166 THR . 1 167 HIS . 1 168 ASN . 1 169 LEU . 1 170 ARG . 1 171 GLN . 1 172 LEU . 1 173 ASP . 1 174 ARG . 1 175 ASN . 1 176 ALA . 1 177 THR . 1 178 GLY . 1 179 VAL . 1 180 GLU . 1 181 PRO . 1 182 TRP . 1 183 VAL . 1 184 LYS . 1 185 GLU . 1 186 PHE . 1 187 ASP . 1 188 GLN . 1 189 TRP . 1 190 LEU . 1 191 TYR . 1 192 GLU . 1 193 SER . 1 194 LEU . 1 195 THR . 1 196 ASN . 1 197 ASN . 1 198 ARG . 1 199 TYR . 1 200 GLU . 1 201 ASP . 1 202 VAL . 1 203 ILE . 1 204 ASN . 1 205 TRP . 1 206 SER . 1 207 THR . 1 208 LYS . 1 209 ALA . 1 210 PRO . 1 211 HIS . 1 212 ALA . 1 213 ARG . 1 214 ARG . 1 215 ALA . 1 216 HIS . 1 217 PRO . 1 218 SER . 1 219 SER . 1 220 ASP . 1 221 HIS . 1 222 PHE . 1 223 MET . 1 224 PRO . 1 225 LEU . 1 226 LEU . 1 227 ILE . 1 228 ALA . 1 229 LEU . 1 230 GLY . 1 231 ALA . 1 232 ALA . 1 233 GLY . 1 234 GLU . 1 235 GLU . 1 236 PRO . 1 237 THR . 1 238 SER . 1 239 GLU . 1 240 ARG . 1 241 ILE . 1 242 HIS . 1 243 SER . 1 244 SER . 1 245 PHE . 1 246 GLU . 1 247 LEU . 1 248 GLY . 1 249 THR . 1 250 LEU . 1 251 SER . 1 252 MET . 1 253 ALA . 1 254 ALA . 1 255 PHE . 1 256 ALA . 1 257 PHE . 1 258 ASP . 1 259 GLY . 1 260 ALA . 1 261 LYS . 1 262 SER . 1 263 GLU . 1 264 LYS . 1 265 LYS . 1 266 GLN . 1 267 SER . 1 268 SER . 1 269 VAL . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 ? loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.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 THR 3 3 THR THR A . A 1 4 PHE 4 4 PHE PHE A . A 1 5 TYR 5 5 TYR TYR A . A 1 6 VAL 6 6 VAL VAL A . A 1 7 SER 7 7 SER SER A . A 1 8 HIS 8 8 HIS HIS A . A 1 9 GLY 9 9 GLY GLY A . A 1 10 SER 10 10 SER SER A . A 1 11 PRO 11 11 PRO PRO A . A 1 12 MET 12 12 MET MET A . A 1 13 GLN 13 13 GLN GLN A . A 1 14 ALA 14 14 ALA ALA A . A 1 15 PHE 15 15 PHE PHE A . A 1 16 GLU 16 16 GLU GLU A . A 1 17 ASN 17 17 ASN ASN A . A 1 18 THR 18 18 THR THR A . A 1 19 PRO 19 19 PRO PRO A . A 1 20 ALA 20 20 ALA ALA A . A 1 21 THR 21 21 THR THR A . A 1 22 ASP 22 22 ASP ASP A . A 1 23 PHE 23 23 PHE PHE A . A 1 24 PHE 24 24 PHE PHE A . A 1 25 LYS 25 25 LYS LYS A . A 1 26 GLU 26 26 GLU GLU A . A 1 27 PHE 27 27 PHE PHE A . A 1 28 SER 28 28 SER SER A . A 1 29 LYS 29 29 LYS LYS A . A 1 30 ARG 30 30 ARG ARG A . A 1 31 HIS 31 31 HIS HIS A . A 1 32 MET 32 32 MET MET A . A 1 33 HIS 33 33 HIS HIS A . A 1 34 GLU 34 34 GLU GLU A . A 1 35 ARG 35 35 ARG ARG A . A 1 36 PRO 36 36 PRO PRO A . A 1 37 LYS 37 37 LYS LYS A . A 1 38 ALA 38 38 ALA ALA A . A 1 39 VAL 39 39 VAL VAL A . A 1 40 ILE 40 40 ILE ILE A . A 1 41 ALA 41 41 ALA ALA A . A 1 42 ILE 42 42 ILE ILE A . A 1 43 SER 43 43 SER SER A . A 1 44 GLY 44 44 GLY GLY A . A 1 45 HIS 45 45 HIS HIS A . A 1 46 TRP 46 46 TRP TRP A . A 1 47 ASP 47 47 ASP ASP A . A 1 48 THR 48 48 THR THR A . A 1 49 ALA 49 49 ALA ALA A . A 1 50 VAL 50 50 VAL VAL A . A 1 51 PRO 51 51 PRO PRO A . A 1 52 SER 52 52 SER SER A . A 1 53 VAL 53 53 VAL VAL A . A 1 54 THR 54 54 THR THR A . A 1 55 VAL 55 55 VAL VAL A . A 1 56 ALA 56 56 ALA ALA A . A 1 57 SER 57 57 SER SER A . A 1 58 ARG 58 58 ARG ARG A . A 1 59 ASN 59 59 ASN ASN A . A 1 60 SER 60 60 SER SER A . A 1 61 THR 61 61 THR THR A . A 1 62 ILE 62 62 ILE ILE A . A 1 63 HIS 63 63 HIS HIS A . A 1 64 ASP 64 64 ASP ASP A . A 1 65 PHE 65 65 PHE PHE A . A 1 66 TYR 66 66 TYR TYR A . A 1 67 GLY 67 67 GLY GLY A . A 1 68 PHE 68 68 PHE PHE A . A 1 69 PRO 69 69 PRO PRO A . A 1 70 LYS 70 70 LYS LYS A . A 1 71 GLU 71 71 GLU GLU A . A 1 72 LEU 72 72 LEU LEU A . A 1 73 TYR 73 73 TYR TYR A . A 1 74 GLU 74 74 GLU GLU A . A 1 75 LEU 75 75 LEU LEU A . A 1 76 GLU 76 76 GLU GLU A . A 1 77 TYR 77 77 TYR TYR A . A 1 78 THR 78 78 THR THR A . A 1 79 ALA 79 79 ALA ALA A . A 1 80 PRO 80 80 PRO PRO A . A 1 81 GLY 81 81 GLY GLY A . A 1 82 ALA 82 82 ALA ALA A . A 1 83 PRO 83 83 PRO PRO A . A 1 84 GLU 84 84 GLU GLU A . A 1 85 LEU 85 85 LEU LEU A . A 1 86 ALA 86 86 ALA ALA A . A 1 87 LYS 87 87 LYS LYS A . A 1 88 ARG 88 88 ARG ARG A . A 1 89 VAL 89 89 VAL VAL A . A 1 90 LYS 90 90 LYS LYS A . A 1 91 GLU 91 91 GLU GLU A . A 1 92 LEU 92 92 LEU LEU A . A 1 93 LEU 93 93 LEU LEU A . A 1 94 LEU 94 94 LEU LEU A . A 1 95 LYS 95 95 LYS LYS A . A 1 96 ALA 96 96 ALA ALA A . A 1 97 GLY 97 97 GLY GLY A . A 1 98 PHE 98 98 PHE PHE A . A 1 99 LYS 99 99 LYS LYS A . A 1 100 THR 100 100 THR THR A . A 1 101 VAL 101 101 VAL VAL A . A 1 102 VAL 102 102 VAL VAL A . A 1 103 GLU 103 103 GLU GLU A . A 1 104 ASP 104 104 ASP ASP A . A 1 105 ASN 105 105 ASN ASN A . A 1 106 LYS 106 106 LYS LYS A . A 1 107 ARG 107 107 ARG ARG A . A 1 108 GLY 108 108 GLY GLY A . A 1 109 LEU 109 109 LEU LEU A . A 1 110 ASP 110 110 ASP ASP A . A 1 111 HIS 111 111 HIS HIS A . A 1 112 GLY 112 112 GLY GLY A . A 1 113 ALA 113 113 ALA ALA A . A 1 114 TRP 114 114 TRP TRP A . A 1 115 MET 115 115 MET MET A . A 1 116 PRO 116 116 PRO PRO A . A 1 117 LEU 117 117 LEU LEU A . A 1 118 LEU 118 118 LEU LEU A . A 1 119 LEU 119 119 LEU LEU A . A 1 120 MET 120 120 MET MET A . A 1 121 TYR 121 121 TYR TYR A . A 1 122 PRO 122 122 PRO PRO A . A 1 123 GLU 123 123 GLU GLU A . A 1 124 ALA 124 124 ALA ALA A . A 1 125 ASP 125 125 ASP ASP A . A 1 126 ILE 126 126 ILE ILE A . A 1 127 PRO 127 127 PRO PRO A . A 1 128 VAL 128 128 VAL VAL A . A 1 129 ILE 129 129 ILE ILE A . A 1 130 GLN 130 130 GLN GLN A . A 1 131 LEU 131 131 LEU LEU A . A 1 132 SER 132 132 SER SER A . A 1 133 VAL 133 133 VAL VAL A . A 1 134 GLN 134 134 GLN GLN A . A 1 135 SER 135 135 SER SER A . A 1 136 SER 136 136 SER SER A . A 1 137 LYS 137 137 LYS LYS A . A 1 138 ASP 138 138 ASP ASP A . A 1 139 GLY 139 139 GLY GLY A . A 1 140 ALA 140 140 ALA ALA A . A 1 141 HIS 141 141 HIS HIS A . A 1 142 HIS 142 142 HIS HIS A . A 1 143 TYR 143 143 TYR TYR A . A 1 144 LYS 144 144 LYS LYS A . A 1 145 LEU 145 145 LEU LEU A . A 1 146 GLY 146 146 GLY GLY A . A 1 147 ARG 147 147 ARG ARG A . A 1 148 ALA 148 148 ALA ALA A . A 1 149 LEU 149 149 LEU LEU A . A 1 150 ALA 150 150 ALA ALA A . A 1 151 SER 151 151 SER SER A . A 1 152 LEU 152 152 LEU LEU A . A 1 153 LYS 153 153 LYS LYS A . A 1 154 ASP 154 154 ASP ASP A . A 1 155 GLU 155 155 GLU GLU A . A 1 156 GLY 156 156 GLY GLY A . A 1 157 TYR 157 157 TYR TYR A . A 1 158 LEU 158 158 LEU LEU A . A 1 159 ILE 159 159 ILE ILE A . A 1 160 LEU 160 160 LEU LEU A . A 1 161 GLY 161 161 GLY GLY A . A 1 162 SER 162 162 SER SER A . A 1 163 GLY 163 163 GLY GLY A . A 1 164 THR 164 164 THR THR A . A 1 165 THR 165 165 THR THR A . A 1 166 THR 166 166 THR THR A . A 1 167 HIS 167 167 HIS HIS A . A 1 168 ASN 168 168 ASN ASN A . A 1 169 LEU 169 169 LEU LEU A . A 1 170 ARG 170 170 ARG ARG A . A 1 171 GLN 171 171 GLN GLN A . A 1 172 LEU 172 172 LEU LEU A . A 1 173 ASP 173 173 ASP ASP A . A 1 174 ARG 174 174 ARG ARG A . A 1 175 ASN 175 175 ASN ASN A . A 1 176 ALA 176 176 ALA ALA A . A 1 177 THR 177 177 THR THR A . A 1 178 GLY 178 178 GLY GLY A . A 1 179 VAL 179 179 VAL VAL A . A 1 180 GLU 180 180 GLU GLU A . A 1 181 PRO 181 181 PRO PRO A . A 1 182 TRP 182 182 TRP TRP A . A 1 183 VAL 183 183 VAL VAL A . A 1 184 LYS 184 184 LYS LYS A . A 1 185 GLU 185 185 GLU GLU A . A 1 186 PHE 186 186 PHE PHE A . A 1 187 ASP 187 187 ASP ASP A . A 1 188 GLN 188 188 GLN GLN A . A 1 189 TRP 189 189 TRP TRP A . A 1 190 LEU 190 190 LEU LEU A . A 1 191 TYR 191 191 TYR TYR A . A 1 192 GLU 192 192 GLU GLU A . A 1 193 SER 193 193 SER SER A . A 1 194 LEU 194 194 LEU LEU A . A 1 195 THR 195 195 THR THR A . A 1 196 ASN 196 196 ASN ASN A . A 1 197 ASN 197 197 ASN ASN A . A 1 198 ARG 198 198 ARG ARG A . A 1 199 TYR 199 199 TYR TYR A . A 1 200 GLU 200 200 GLU GLU A . A 1 201 ASP 201 201 ASP ASP A . A 1 202 VAL 202 202 VAL VAL A . A 1 203 ILE 203 203 ILE ILE A . A 1 204 ASN 204 204 ASN ASN A . A 1 205 TRP 205 205 TRP TRP A . A 1 206 SER 206 206 SER SER A . A 1 207 THR 207 207 THR THR A . A 1 208 LYS 208 208 LYS LYS A . A 1 209 ALA 209 209 ALA ALA A . A 1 210 PRO 210 210 PRO PRO A . A 1 211 HIS 211 211 HIS HIS A . A 1 212 ALA 212 212 ALA ALA A . A 1 213 ARG 213 213 ARG ARG A . A 1 214 ARG 214 214 ARG ARG A . A 1 215 ALA 215 215 ALA ALA A . A 1 216 HIS 216 216 HIS HIS A . A 1 217 PRO 217 217 PRO PRO A . A 1 218 SER 218 218 SER SER A . A 1 219 SER 219 219 SER SER A . A 1 220 ASP 220 220 ASP ASP A . A 1 221 HIS 221 221 HIS HIS A . A 1 222 PHE 222 222 PHE PHE A . A 1 223 MET 223 223 MET MET A . A 1 224 PRO 224 224 PRO PRO A . A 1 225 LEU 225 225 LEU LEU A . A 1 226 LEU 226 226 LEU LEU A . A 1 227 ILE 227 227 ILE ILE A . A 1 228 ALA 228 228 ALA ALA A . A 1 229 LEU 229 229 LEU LEU A . A 1 230 GLY 230 230 GLY GLY A . A 1 231 ALA 231 231 ALA ALA A . A 1 232 ALA 232 232 ALA ALA A . A 1 233 GLY 233 233 GLY GLY A . A 1 234 GLU 234 234 GLU GLU A . A 1 235 GLU 235 235 GLU GLU A . A 1 236 PRO 236 236 PRO PRO A . A 1 237 THR 237 237 THR THR A . A 1 238 SER 238 238 SER SER A . A 1 239 GLU 239 239 GLU GLU A . A 1 240 ARG 240 240 ARG ARG A . A 1 241 ILE 241 241 ILE ILE A . A 1 242 HIS 242 242 HIS HIS A . A 1 243 SER 243 243 SER SER A . A 1 244 SER 244 244 SER SER A . A 1 245 PHE 245 245 PHE PHE A . A 1 246 GLU 246 246 GLU GLU A . A 1 247 LEU 247 247 LEU LEU A . A 1 248 GLY 248 248 GLY GLY A . A 1 249 THR 249 249 THR THR A . A 1 250 LEU 250 250 LEU LEU A . A 1 251 SER 251 251 SER SER A . A 1 252 MET 252 252 MET MET A . A 1 253 ALA 253 253 ALA ALA A . A 1 254 ALA 254 254 ALA ALA A . A 1 255 PHE 255 255 PHE PHE A . A 1 256 ALA 256 256 ALA ALA A . A 1 257 PHE 257 257 PHE PHE A . A 1 258 ASP 258 258 ASP ASP A . A 1 259 GLY 259 259 GLY GLY A . A 1 260 ALA 260 260 ALA ALA A . A 1 261 LYS 261 261 LYS LYS A . A 1 262 SER 262 262 SER SER A . A 1 263 GLU 263 263 GLU GLU A . A 1 264 LYS 264 264 LYS LYS A . A 1 265 LYS 265 265 LYS LYS A . A 1 266 GLN 266 266 GLN GLN A . A 1 267 SER 267 267 SER SER A . A 1 268 SER 268 268 SER SER A . A 1 269 VAL 269 269 VAL VAL A . loop_ _ma_data.id _ma_data.name _ma_data.content_type _ma_data.content_type_other_details 1 Sphmag09G091300.1 target . 2 'Top scoring model' 'model coordinates' . loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 2 2 loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 'reference database' loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 ? 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 1 1 1 modeling AlphaFold . 1 2 1 2 'model selection' AlphaFold . 1 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 'Top scoring model' . 2 '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 3.040 -2.164 16.060 1.000 1 A 90.140 1 ATOM 2 C CA . MET 1 1 ? A 3.499 -2.718 14.773 1.000 1 A 90.140 1 ATOM 3 C C . MET 1 1 ? A 4.070 -1.618 13.903 1.000 1 A 90.140 1 ATOM 4 C CB . MET 1 1 ? A 2.360 -3.415 14.019 1.000 1 A 90.140 1 ATOM 5 O O . MET 1 1 ? A 3.625 -0.479 14.013 1.000 1 A 90.140 1 ATOM 6 C CG . MET 1 1 ? A 1.968 -4.719 14.706 1.000 1 A 90.140 1 ATOM 7 S SD . MET 1 1 ? A 0.693 -5.630 13.812 1.000 1 A 90.140 1 ATOM 8 C CE . MET 1 1 ? A 0.739 -7.135 14.809 1.000 1 A 90.140 1 ATOM 9 N N . THR 2 2 ? A 5.028 -1.980 13.058 1.000 1 A 94.750 1 ATOM 10 C CA . THR 2 2 ? A 5.504 -1.184 11.921 1.000 1 A 94.750 1 ATOM 11 C C . THR 2 2 ? A 4.429 -1.155 10.833 1.000 1 A 94.750 1 ATOM 12 C CB . THR 2 2 ? A 6.802 -1.814 11.396 1.000 1 A 94.750 1 ATOM 13 O O . THR 2 2 ? A 3.639 -2.096 10.704 1.000 1 A 94.750 1 ATOM 14 C CG2 . THR 2 2 ? A 7.517 -1.032 10.304 1.000 1 A 94.750 1 ATOM 15 O OG1 . THR 2 2 ? A 7.686 -1.971 12.480 1.000 1 A 94.750 1 ATOM 16 N N . THR 3 3 ? A 4.367 -0.068 10.072 1.000 1 A 98.220 1 ATOM 17 C CA . THR 3 3 ? A 3.506 0.040 8.884 1.000 1 A 98.220 1 ATOM 18 C C . THR 3 3 ? A 4.365 -0.038 7.633 1.000 1 A 98.220 1 ATOM 19 C CB . THR 3 3 ? A 2.653 1.311 8.895 1.000 1 A 98.220 1 ATOM 20 O O . THR 3 3 ? A 5.535 0.334 7.668 1.000 1 A 98.220 1 ATOM 21 C CG2 . THR 3 3 ? A 1.840 1.461 10.180 1.000 1 A 98.220 1 ATOM 22 O OG1 . THR 3 3 ? A 3.456 2.450 8.792 1.000 1 A 98.220 1 ATOM 23 N N . PHE 4 4 ? A 3.819 -0.543 6.532 1.000 1 A 98.710 1 ATOM 24 C CA . PHE 4 4 ? A 4.635 -0.850 5.361 1.000 1 A 98.710 1 ATOM 25 C C . PHE 4 4 ? A 4.016 -0.309 4.087 1.000 1 A 98.710 1 ATOM 26 C CB . PHE 4 4 ? A 4.871 -2.360 5.275 1.000 1 A 98.710 1 ATOM 27 O O . PHE 4 4 ? A 2.797 -0.323 3.921 1.000 1 A 98.710 1 ATOM 28 C CG . PHE 4 4 ? A 5.655 -2.917 6.446 1.000 1 A 98.710 1 ATOM 29 C CD1 . PHE 4 4 ? A 7.060 -2.944 6.410 1.000 1 A 98.710 1 ATOM 30 C CD2 . PHE 4 4 ? A 4.981 -3.405 7.579 1.000 1 A 98.710 1 ATOM 31 C CE1 . PHE 4 4 ? A 7.780 -3.507 7.479 1.000 1 A 98.710 1 ATOM 32 C CE2 . PHE 4 4 ? A 5.698 -3.976 8.643 1.000 1 A 98.710 1 ATOM 33 C CZ . PHE 4 4 ? A 7.100 -4.036 8.589 1.000 1 A 98.710 1 ATOM 34 N N . TYR 5 5 ? A 4.874 0.121 3.171 1.000 1 A 98.810 1 ATOM 35 C CA . TYR 5 5 ? A 4.536 0.302 1.770 1.000 1 A 98.810 1 ATOM 36 C C . TYR 5 5 ? A 5.308 -0.703 0.923 1.000 1 A 98.810 1 ATOM 37 C CB . TYR 5 5 ? A 4.819 1.731 1.322 1.000 1 A 98.810 1 ATOM 38 O O . TYR 5 5 ? A 6.521 -0.843 1.082 1.000 1 A 98.810 1 ATOM 39 C CG . TYR 5 5 ? A 4.660 1.920 -0.171 1.000 1 A 98.810 1 ATOM 40 C CD1 . TYR 5 5 ? A 5.781 1.822 -1.015 1.000 1 A 98.810 1 ATOM 41 C CD2 . TYR 5 5 ? A 3.385 2.145 -0.719 1.000 1 A 98.810 1 ATOM 42 C CE1 . TYR 5 5 ? A 5.649 2.056 -2.394 1.000 1 A 98.810 1 ATOM 43 C CE2 . TYR 5 5 ? A 3.247 2.393 -2.097 1.000 1 A 98.810 1 ATOM 44 O OH . TYR 5 5 ? A 4.272 2.749 -4.223 1.000 1 A 98.810 1 ATOM 45 C CZ . TYR 5 5 ? A 4.387 2.387 -2.925 1.000 1 A 98.810 1 ATOM 46 N N . VAL 6 6 ? A 4.622 -1.359 -0.006 1.000 1 A 98.700 1 ATOM 47 C CA . VAL 6 6 ? A 5.221 -2.283 -0.967 1.000 1 A 98.700 1 ATOM 48 C C . VAL 6 6 ? A 4.783 -1.942 -2.385 1.000 1 A 98.700 1 ATOM 49 C CB . VAL 6 6 ? A 4.922 -3.753 -0.617 1.000 1 A 98.700 1 ATOM 50 O O . VAL 6 6 ? A 3.632 -1.573 -2.634 1.000 1 A 98.700 1 ATOM 51 C CG1 . VAL 6 6 ? A 5.479 -4.114 0.767 1.000 1 A 98.700 1 ATOM 52 C CG2 . VAL 6 6 ? A 3.428 -4.108 -0.654 1.000 1 A 98.700 1 ATOM 53 N N . SER 7 7 ? A 5.710 -2.095 -3.326 1.000 1 A 97.900 1 ATOM 54 C CA . SER 7 7 ? A 5.394 -2.076 -4.749 1.000 1 A 97.900 1 ATOM 55 C C . SER 7 7 ? A 4.937 -3.469 -5.178 1.000 1 A 97.900 1 ATOM 56 C CB . SER 7 7 ? A 6.608 -1.625 -5.552 1.000 1 A 97.900 1 ATOM 57 O O . SER 7 7 ? A 5.743 -4.395 -5.176 1.000 1 A 97.900 1 ATOM 58 O OG . SER 7 7 ? A 6.930 -0.282 -5.231 1.000 1 A 97.900 1 ATOM 59 N N . HIS 8 8 ? A 3.654 -3.642 -5.507 1.000 1 A 96.740 1 ATOM 60 C CA . HIS 8 8 ? A 3.114 -4.954 -5.877 1.000 1 A 96.740 1 ATOM 61 C C . HIS 8 8 ? A 3.514 -5.380 -7.298 1.000 1 A 96.740 1 ATOM 62 C CB . HIS 8 8 ? A 1.593 -4.989 -5.656 1.000 1 A 96.740 1 ATOM 63 O O . HIS 8 8 ? A 3.700 -6.558 -7.557 1.000 1 A 96.740 1 ATOM 64 C CG . HIS 8 8 ? A 0.813 -3.890 -6.327 1.000 1 A 96.740 1 ATOM 65 C CD2 . HIS 8 8 ? A 0.627 -3.709 -7.668 1.000 1 A 96.740 1 ATOM 66 N ND1 . HIS 8 8 ? A 0.091 -2.911 -5.689 1.000 1 A 96.740 1 ATOM 67 C CE1 . HIS 8 8 ? A -0.497 -2.147 -6.622 1.000 1 A 96.740 1 ATOM 68 N NE2 . HIS 8 8 ? A -0.174 -2.584 -7.844 1.000 1 A 96.740 1 ATOM 69 N N . GLY 9 9 ? A 3.716 -4.452 -8.230 1.000 1 A 93.600 1 ATOM 70 C CA . GLY 9 9 ? A 4.113 -4.799 -9.597 1.000 1 A 93.600 1 ATOM 71 C C . GLY 9 9 ? A 3.093 -5.662 -10.355 1.000 1 A 93.600 1 ATOM 72 O O . GLY 9 9 ? A 1.888 -5.553 -10.156 1.000 1 A 93.600 1 ATOM 73 N N . SER 10 10 ? A 3.557 -6.481 -11.301 1.000 1 A 92.500 1 ATOM 74 C CA . SER 10 10 ? A 2.653 -7.277 -12.145 1.000 1 A 92.500 1 ATOM 75 C C . SER 10 10 ? A 1.975 -8.403 -11.352 1.000 1 A 92.500 1 ATOM 76 C CB . SER 10 10 ? A 3.431 -7.878 -13.320 1.000 1 A 92.500 1 ATOM 77 O O . SER 10 10 ? A 2.626 -9.025 -10.517 1.000 1 A 92.500 1 ATOM 78 O OG . SER 10 10 ? A 2.556 -8.540 -14.218 1.000 1 A 92.500 1 ATOM 79 N N . PRO 11 11 ? A 0.725 -8.795 -11.665 1.000 1 A 92.400 1 ATOM 80 C CA . PRO 11 11 ? A 0.139 -9.995 -11.067 1.000 1 A 92.400 1 ATOM 81 C C . PRO 11 11 ? A 0.924 -11.282 -11.407 1.000 1 A 92.400 1 ATOM 82 C CB . PRO 11 11 ? A -1.306 -9.998 -11.570 1.000 1 A 92.400 1 ATOM 83 O O . PRO 11 11 ? A 0.820 -12.268 -10.682 1.000 1 A 92.400 1 ATOM 84 C CG . PRO 11 11 ? A -1.200 -9.312 -12.935 1.000 1 A 92.400 1 ATOM 85 C CD . PRO 11 11 ? A -0.201 -8.202 -12.623 1.000 1 A 92.400 1 ATOM 86 N N . MET 12 12 ? A 1.782 -11.269 -12.440 1.000 1 A 94.120 1 ATOM 87 C CA . MET 12 12 ? A 2.696 -12.381 -12.753 1.000 1 A 94.120 1 ATOM 88 C C . MET 12 12 ? A 3.726 -12.682 -11.664 1.000 1 A 94.120 1 ATOM 89 C CB . MET 12 12 ? A 3.443 -12.115 -14.064 1.000 1 A 94.120 1 ATOM 90 O O . MET 12 12 ? A 4.256 -13.791 -11.649 1.000 1 A 94.120 1 ATOM 91 C CG . MET 12 12 ? A 2.522 -12.291 -15.267 1.000 1 A 94.120 1 ATOM 92 S SD . MET 12 12 ? A 1.792 -13.940 -15.518 1.000 1 A 94.120 1 ATOM 93 C CE . MET 12 12 ? A 3.278 -14.977 -15.571 1.000 1 A 94.120 1 ATOM 94 N N . GLN 13 13 ? A 3.948 -11.769 -10.714 1.000 1 A 93.420 1 ATOM 95 C CA . GLN 13 13 ? A 4.801 -11.996 -9.542 1.000 1 A 93.420 1 ATOM 96 C C . GLN 13 13 ? A 4.428 -13.277 -8.776 1.000 1 A 93.420 1 ATOM 97 C CB . GLN 13 13 ? A 4.671 -10.788 -8.608 1.000 1 A 93.420 1 ATOM 98 O O . GLN 13 13 ? A 5.290 -13.899 -8.164 1.000 1 A 93.420 1 ATOM 99 C CG . GLN 13 13 ? A 5.322 -9.520 -9.175 1.000 1 A 93.420 1 ATOM 100 C CD . GLN 13 13 ? A 6.835 -9.489 -9.043 1.000 1 A 93.420 1 ATOM 101 N NE2 . GLN 13 13 ? A 7.526 -9.092 -10.074 1.000 1 A 93.420 1 ATOM 102 O OE1 . GLN 13 13 ? A 7.410 -9.754 -8.000 1.000 1 A 93.420 1 ATOM 103 N N . ALA 14 14 ? A 3.170 -13.731 -8.862 1.000 1 A 91.200 1 ATOM 104 C CA . ALA 14 14 ? A 2.731 -15.004 -8.289 1.000 1 A 91.200 1 ATOM 105 C C . ALA 14 14 ? A 3.462 -16.243 -8.861 1.000 1 A 91.200 1 ATOM 106 C CB . ALA 14 14 ? A 1.218 -15.111 -8.508 1.000 1 A 91.200 1 ATOM 107 O O . ALA 14 14 ? A 3.504 -17.283 -8.206 1.000 1 A 91.200 1 ATOM 108 N N . PHE 15 15 ? A 4.046 -16.143 -10.060 1.000 1 A 92.860 1 ATOM 109 C CA . PHE 15 15 ? A 4.737 -17.236 -10.757 1.000 1 A 92.860 1 ATOM 110 C C . PHE 15 15 ? A 6.206 -16.939 -11.074 1.000 1 A 92.860 1 ATOM 111 C CB . PHE 15 15 ? A 3.984 -17.543 -12.057 1.000 1 A 92.860 1 ATOM 112 O O . PHE 15 15 ? A 6.932 -17.822 -11.536 1.000 1 A 92.860 1 ATOM 113 C CG . PHE 15 15 ? A 2.525 -17.893 -11.866 1.000 1 A 92.860 1 ATOM 114 C CD1 . PHE 15 15 ? A 2.162 -18.993 -11.066 1.000 1 A 92.860 1 ATOM 115 C CD2 . PHE 15 15 ? A 1.527 -17.123 -12.489 1.000 1 A 92.860 1 ATOM 116 C CE1 . PHE 15 15 ? A 0.808 -19.327 -10.894 1.000 1 A 92.860 1 ATOM 117 C CE2 . PHE 15 15 ? A 0.176 -17.472 -12.329 1.000 1 A 92.860 1 ATOM 118 C CZ . PHE 15 15 ? A -0.187 -18.569 -11.532 1.000 1 A 92.860 1 ATOM 119 N N . GLU 16 16 ? A 6.647 -15.702 -10.869 1.000 1 A 92.350 1 ATOM 120 C CA . GLU 16 16 ? A 7.999 -15.276 -11.199 1.000 1 A 92.350 1 ATOM 121 C C . GLU 16 16 ? A 8.978 -15.551 -10.047 1.000 1 A 92.350 1 ATOM 122 C CB . GLU 16 16 ? A 7.989 -13.812 -11.674 1.000 1 A 92.350 1 ATOM 123 O O . GLU 16 16 ? A 8.607 -15.768 -8.893 1.000 1 A 92.350 1 ATOM 124 C CG . GLU 16 16 ? A 7.322 -13.678 -13.058 1.000 1 A 92.350 1 ATOM 125 C CD . GLU 16 16 ? A 7.118 -12.230 -13.539 1.000 1 A 92.350 1 ATOM 126 O OE1 . GLU 16 16 ? A 6.820 -12.072 -14.748 1.000 1 A 92.350 1 ATOM 127 O OE2 . GLU 16 16 ? A 7.221 -11.292 -12.720 1.000 1 A 92.350 1 ATOM 128 N N . ASN 17 17 ? A 10.267 -15.568 -10.386 1.000 1 A 94.300 1 ATOM 129 C CA . ASN 17 17 ? A 11.358 -15.626 -9.418 1.000 1 A 94.300 1 ATOM 130 C C . ASN 17 17 ? A 12.244 -14.405 -9.646 1.000 1 A 94.300 1 ATOM 131 C CB . ASN 17 17 ? A 12.106 -16.962 -9.528 1.000 1 A 94.300 1 ATOM 132 O O . ASN 17 17 ? A 13.226 -14.451 -10.389 1.000 1 A 94.300 1 ATOM 133 C CG . ASN 17 17 ? A 11.238 -18.142 -9.135 1.000 1 A 94.300 1 ATOM 134 N ND2 . ASN 17 17 ? A 11.061 -19.089 -10.028 1.000 1 A 94.300 1 ATOM 135 O OD1 . ASN 17 17 ? A 10.721 -18.249 -8.031 1.000 1 A 94.300 1 ATOM 136 N N . THR 18 18 ? A 11.834 -13.290 -9.053 1.000 1 A 95.530 1 ATOM 137 C CA . THR 18 18 ? A 12.560 -12.019 -9.059 1.000 1 A 95.530 1 ATOM 138 C C . THR 18 18 ? A 13.002 -11.654 -7.639 1.000 1 A 95.530 1 ATOM 139 C CB . THR 18 18 ? A 11.739 -10.869 -9.681 1.000 1 A 95.530 1 ATOM 140 O O . THR 18 18 ? A 12.425 -12.153 -6.664 1.000 1 A 95.530 1 ATOM 141 C CG2 . THR 18 18 ? A 10.950 -11.281 -10.919 1.000 1 A 95.530 1 ATOM 142 O OG1 . THR 18 18 ? A 10.844 -10.311 -8.750 1.000 1 A 95.530 1 ATOM 143 N N . PRO 19 19 ? A 13.962 -10.721 -7.482 1.000 1 A 97.230 1 ATOM 144 C CA . PRO 19 19 ? A 14.305 -10.185 -6.168 1.000 1 A 97.230 1 ATOM 145 C C . PRO 19 19 ? A 13.097 -9.641 -5.384 1.000 1 A 97.230 1 ATOM 146 C CB . PRO 19 19 ? A 15.327 -9.079 -6.449 1.000 1 A 97.230 1 ATOM 147 O O . PRO 19 19 ? A 13.101 -9.701 -4.158 1.000 1 A 97.230 1 ATOM 148 C CG . PRO 19 19 ? A 15.989 -9.528 -7.751 1.000 1 A 97.230 1 ATOM 149 C CD . PRO 19 19 ? A 14.828 -10.160 -8.512 1.000 1 A 97.230 1 ATOM 150 N N . ALA 20 20 ? A 12.063 -9.122 -6.063 1.000 1 A 97.090 1 ATOM 151 C CA . ALA 20 20 ? A 10.820 -8.686 -5.427 1.000 1 A 97.090 1 ATOM 152 C C . ALA 20 20 ? A 9.988 -9.864 -4.905 1.000 1 A 97.090 1 ATOM 153 C CB . ALA 20 20 ? A 10.041 -7.801 -6.406 1.000 1 A 97.090 1 ATOM 154 O O . ALA 20 20 ? A 9.558 -9.836 -3.752 1.000 1 A 97.090 1 ATOM 155 N N . THR 21 21 ? A 9.840 -10.938 -5.685 1.000 1 A 97.240 1 ATOM 156 C CA . THR 21 21 ? A 9.153 -12.149 -5.204 1.000 1 A 97.240 1 ATOM 157 C C . THR 21 21 ? A 9.867 -12.793 -4.011 1.000 1 A 97.240 1 ATOM 158 C CB . THR 21 21 ? A 8.956 -13.195 -6.308 1.000 1 A 97.240 1 ATOM 159 O O . THR 21 21 ? A 9.207 -13.220 -3.064 1.000 1 A 97.240 1 ATOM 160 C CG2 . THR 21 21 ? A 8.218 -12.642 -7.517 1.000 1 A 97.240 1 ATOM 161 O OG1 . THR 21 21 ? A 10.187 -13.723 -6.743 1.000 1 A 97.240 1 ATOM 162 N N . ASP 22 22 ? A 11.206 -12.815 -4.005 1.000 1 A 97.790 1 ATOM 163 C CA . ASP 22 22 ? A 12.002 -13.345 -2.891 1.000 1 A 97.790 1 ATOM 164 C C . ASP 22 22 ? A 11.846 -12.484 -1.634 1.000 1 A 97.790 1 ATOM 165 C CB . ASP 22 22 ? A 13.486 -13.413 -3.287 1.000 1 A 97.790 1 ATOM 166 O O . ASP 22 22 ? A 11.728 -13.009 -0.524 1.000 1 A 97.790 1 ATOM 167 C CG . ASP 22 22 ? A 13.817 -14.510 -4.304 1.000 1 A 97.790 1 ATOM 168 O OD1 . ASP 22 22 ? A 12.997 -15.445 -4.469 1.000 1 A 97.790 1 ATOM 169 O OD2 . ASP 22 22 ? A 14.929 -14.417 -4.872 1.000 1 A 97.790 1 ATOM 170 N N . PHE 23 23 ? A 11.790 -11.159 -1.804 1.000 1 A 98.210 1 ATOM 171 C CA . PHE 23 23 ? A 11.476 -10.232 -0.723 1.000 1 A 98.210 1 ATOM 172 C C . PHE 23 23 ? A 10.106 -10.531 -0.105 1.000 1 A 98.210 1 ATOM 173 C CB . PHE 23 23 ? A 11.569 -8.786 -1.228 1.000 1 A 98.210 1 ATOM 174 O O . PHE 23 23 ? A 10.016 -10.649 1.117 1.000 1 A 98.210 1 ATOM 175 C CG . PHE 23 23 ? A 10.874 -7.787 -0.328 1.000 1 A 98.210 1 ATOM 176 C CD1 . PHE 23 23 ? A 9.615 -7.268 -0.686 1.000 1 A 98.210 1 ATOM 177 C CD2 . PHE 23 23 ? A 11.464 -7.415 0.894 1.000 1 A 98.210 1 ATOM 178 C CE1 . PHE 23 23 ? A 8.963 -6.357 0.162 1.000 1 A 98.210 1 ATOM 179 C CE2 . PHE 23 23 ? A 10.815 -6.500 1.740 1.000 1 A 98.210 1 ATOM 180 C CZ . PHE 23 23 ? A 9.570 -5.963 1.367 1.000 1 A 98.210 1 ATOM 181 N N . PHE 24 24 ? A 9.058 -10.707 -0.916 1.000 1 A 98.300 1 ATOM 182 C CA . PHE 24 24 ? A 7.723 -11.005 -0.398 1.000 1 A 98.300 1 ATOM 183 C C . PHE 24 24 ? A 7.660 -12.345 0.344 1.000 1 A 98.300 1 ATOM 184 C CB . PHE 24 24 ? A 6.688 -10.966 -1.526 1.000 1 A 98.300 1 ATOM 185 O O . PHE 24 24 ? A 7.111 -12.394 1.445 1.000 1 A 98.300 1 ATOM 186 C CG . PHE 24 24 ? A 6.360 -9.585 -2.048 1.000 1 A 98.300 1 ATOM 187 C CD1 . PHE 24 24 ? A 5.855 -8.628 -1.155 1.000 1 A 98.300 1 ATOM 188 C CD2 . PHE 24 24 ? A 6.498 -9.261 -3.410 1.000 1 A 98.300 1 ATOM 189 C CE1 . PHE 24 24 ? A 5.503 -7.348 -1.609 1.000 1 A 98.300 1 ATOM 190 C CE2 . PHE 24 24 ? A 6.148 -7.978 -3.867 1.000 1 A 98.300 1 ATOM 191 C CZ . PHE 24 24 ? A 5.650 -7.021 -2.966 1.000 1 A 98.300 1 ATOM 192 N N . LYS 25 25 ? A 8.279 -13.400 -0.204 1.000 1 A 97.890 1 ATOM 193 C CA . LYS 25 25 ? A 8.344 -14.733 0.426 1.000 1 A 97.890 1 ATOM 194 C C . LYS 25 25 ? A 9.054 -14.704 1.785 1.000 1 A 97.890 1 ATOM 195 C CB . LYS 25 25 ? A 9.051 -15.714 -0.525 1.000 1 A 97.890 1 ATOM 196 O O . LYS 25 25 ? A 8.655 -15.397 2.715 1.000 1 A 97.890 1 ATOM 197 C CG . LYS 25 25 ? A 8.215 -16.083 -1.767 1.000 1 A 97.890 1 ATOM 198 C CD . LYS 25 25 ? A 9.092 -16.783 -2.822 1.000 1 A 97.890 1 ATOM 199 C CE . LYS 25 25 ? A 8.327 -17.022 -4.134 1.000 1 A 97.890 1 ATOM 200 N NZ . LYS 25 25 ? A 9.248 -17.322 -5.268 1.000 1 A 97.890 1 ATOM 201 N N . GLU 26 26 ? A 10.096 -13.885 1.930 1.000 1 A 97.600 1 ATOM 202 C CA . GLU 26 26 ? A 10.841 -13.748 3.190 1.000 1 A 97.600 1 ATOM 203 C C . GLU 26 26 ? A 10.299 -12.631 4.105 1.000 1 A 97.600 1 ATOM 204 C CB . GLU 26 26 ? A 12.335 -13.553 2.890 1.000 1 A 97.600 1 ATOM 205 O O . GLU 26 26 ? A 10.802 -12.458 5.220 1.000 1 A 97.600 1 ATOM 206 C CG . GLU 26 26 ? A 13.028 -14.792 2.294 1.000 1 A 97.600 1 ATOM 207 C CD . GLU 26 26 ? A 13.255 -15.925 3.315 1.000 1 A 97.600 1 ATOM 208 O OE1 . GLU 26 26 ? A 12.933 -17.091 3.022 1.000 1 A 97.600 1 ATOM 209 O OE2 . GLU 26 26 ? A 13.866 -15.668 4.390 1.000 1 A 97.600 1 ATOM 210 N N . PHE 27 27 ? A 9.277 -11.882 3.674 1.000 1 A 97.730 1 ATOM 211 C CA . PHE 27 27 ? A 8.817 -10.662 4.338 1.000 1 A 97.730 1 ATOM 212 C C . PHE 27 27 ? A 8.441 -10.900 5.799 1.000 1 A 97.730 1 ATOM 213 C CB . PHE 27 27 ? A 7.611 -10.087 3.592 1.000 1 A 97.730 1 ATOM 214 O O . PHE 27 27 ? A 8.995 -10.259 6.693 1.000 1 A 97.730 1 ATOM 215 C CG . PHE 27 27 ? A 7.058 -8.817 4.211 1.000 1 A 97.730 1 ATOM 216 C CD1 . PHE 27 27 ? A 6.062 -8.874 5.206 1.000 1 A 97.730 1 ATOM 217 C CD2 . PHE 27 27 ? A 7.569 -7.571 3.808 1.000 1 A 97.730 1 ATOM 218 C CE1 . PHE 27 27 ? A 5.600 -7.691 5.809 1.000 1 A 97.730 1 ATOM 219 C CE2 . PHE 27 27 ? A 7.093 -6.387 4.397 1.000 1 A 97.730 1 ATOM 220 C CZ . PHE 27 27 ? A 6.116 -6.450 5.404 1.000 1 A 97.730 1 ATOM 221 N N . SER 28 28 ? A 7.534 -11.852 6.059 1.000 1 A 94.050 1 ATOM 222 C CA . SER 28 28 ? A 7.060 -12.116 7.422 1.000 1 A 94.050 1 ATOM 223 C C . SER 28 28 ? A 8.207 -12.536 8.337 1.000 1 A 94.050 1 ATOM 224 C CB . SER 28 28 ? A 5.973 -13.196 7.440 1.000 1 A 94.050 1 ATOM 225 O O . SER 28 28 ? A 8.246 -12.148 9.497 1.000 1 A 94.050 1 ATOM 226 O OG . SER 28 28 ? A 5.510 -13.368 8.770 1.000 1 A 94.050 1 ATOM 227 N N . LYS 29 29 ? A 9.162 -13.314 7.826 1.000 1 A 95.090 1 ATOM 228 C CA . LYS 29 29 ? A 10.301 -13.803 8.605 1.000 1 A 95.090 1 ATOM 229 C C . LYS 29 29 ? A 11.301 -12.693 8.939 1.000 1 A 95.090 1 ATOM 230 C CB . LYS 29 29 ? A 10.935 -14.931 7.793 1.000 1 A 95.090 1 ATOM 231 O O . LYS 29 29 ? A 11.933 -12.751 9.990 1.000 1 A 95.090 1 ATOM 232 C CG . LYS 29 29 ? A 12.164 -15.572 8.449 1.000 1 A 95.090 1 ATOM 233 C CD . LYS 29 29 ? A 12.673 -16.642 7.485 1.000 1 A 95.090 1 ATOM 234 C CE . LYS 29 29 ? A 14.134 -17.006 7.724 1.000 1 A 95.090 1 ATOM 235 N NZ . LYS 29 29 ? A 14.694 -17.488 6.438 1.000 1 A 95.090 1 ATOM 236 N N . ARG 30 30 ? A 11.476 -11.713 8.047 1.000 1 A 96.010 1 ATOM 237 C CA . ARG 30 30 ? A 12.469 -10.636 8.202 1.000 1 A 96.010 1 ATOM 238 C C . ARG 30 30 ? A 11.927 -9.392 8.897 1.000 1 A 96.010 1 ATOM 239 C CB . ARG 30 30 ? A 13.045 -10.259 6.833 1.000 1 A 96.010 1 ATOM 240 O O . ARG 30 30 ? A 12.678 -8.747 9.620 1.000 1 A 96.010 1 ATOM 241 C CG . ARG 30 30 ? A 13.896 -11.387 6.241 1.000 1 A 96.010 1 ATOM 242 C CD . ARG 30 30 ? A 14.524 -10.912 4.932 1.000 1 A 96.010 1 ATOM 243 N NE . ARG 30 30 ? A 15.208 -12.016 4.236 1.000 1 A 96.010 1 ATOM 244 N NH1 . ARG 30 30 ? A 16.291 -10.733 2.671 1.000 1 A 96.010 1 ATOM 245 N NH2 . ARG 30 30 ? A 16.407 -12.965 2.561 1.000 1 A 96.010 1 ATOM 246 C CZ . ARG 30 30 ? A 15.970 -11.897 3.166 1.000 1 A 96.010 1 ATOM 247 N N . HIS 31 31 ? A 10.659 -9.057 8.674 1.000 1 A 95.910 1 ATOM 248 C CA . HIS 31 31 ? A 10.103 -7.751 9.042 1.000 1 A 95.910 1 ATOM 249 C C . HIS 31 31 ? A 8.950 -7.820 10.047 1.000 1 A 95.910 1 ATOM 250 C CB . HIS 31 31 ? A 9.698 -7.006 7.761 1.000 1 A 95.910 1 ATOM 251 O O . HIS 31 31 ? A 8.541 -6.783 10.563 1.000 1 A 95.910 1 ATOM 252 C CG . HIS 31 31 ? A 10.857 -6.813 6.815 1.000 1 A 95.910 1 ATOM 253 C CD2 . HIS 31 31 ? A 11.006 -7.382 5.580 1.000 1 A 95.910 1 ATOM 254 N ND1 . HIS 31 31 ? A 11.998 -6.085 7.066 1.000 1 A 95.910 1 ATOM 255 C CE1 . HIS 31 31 ? A 12.816 -6.216 6.011 1.000 1 A 95.910 1 ATOM 256 N NE2 . HIS 31 31 ? A 12.261 -7.012 5.082 1.000 1 A 95.910 1 ATOM 257 N N . MET 32 32 ? A 8.434 -9.012 10.367 1.000 1 A 94.640 1 ATOM 258 C CA . MET 32 32 ? A 7.351 -9.163 11.341 1.000 1 A 94.640 1 ATOM 259 C C . MET 32 32 ? A 7.856 -9.832 12.619 1.000 1 A 94.640 1 ATOM 260 C CB . MET 32 32 ? A 6.154 -9.907 10.732 1.000 1 A 94.640 1 ATOM 261 O O . MET 32 32 ? A 8.331 -10.964 12.604 1.000 1 A 94.640 1 ATOM 262 C CG . MET 32 32 ? A 5.623 -9.229 9.461 1.000 1 A 94.640 1 ATOM 263 S SD . MET 32 32 ? A 4.908 -7.572 9.677 1.000 1 A 94.640 1 ATOM 264 C CE . MET 32 32 ? A 3.503 -7.940 10.760 1.000 1 A 94.640 1 ATOM 265 N N . HIS 33 33 ? A 7.720 -9.138 13.750 1.000 1 A 89.220 1 ATOM 266 C CA . HIS 33 33 ? A 8.037 -9.690 15.076 1.000 1 A 89.220 1 ATOM 267 C C . HIS 33 33 ? A 6.884 -10.497 15.680 1.000 1 A 89.220 1 ATOM 268 C CB . HIS 33 33 ? A 8.411 -8.543 16.020 1.000 1 A 89.220 1 ATOM 269 O O . HIS 33 33 ? A 7.098 -11.378 16.508 1.000 1 A 89.220 1 ATOM 270 C CG . HIS 33 33 ? A 9.598 -7.751 15.547 1.000 1 A 89.220 1 ATOM 271 C CD2 . HIS 33 33 ? A 9.657 -6.396 15.364 1.000 1 A 89.220 1 ATOM 272 N ND1 . HIS 33 33 ? A 10.826 -8.263 15.193 1.000 1 A 89.220 1 ATOM 273 C CE1 . HIS 33 33 ? A 11.606 -7.240 14.808 1.000 1 A 89.220 1 ATOM 274 N NE2 . HIS 33 33 ? A 10.939 -6.083 14.914 1.000 1 A 89.220 1 ATOM 275 N N . GLU 34 34 ? A 5.656 -10.185 15.275 1.000 1 A 92.820 1 ATOM 276 C CA . GLU 34 34 ? A 4.435 -10.842 15.721 1.000 1 A 92.820 1 ATOM 277 C C . GLU 34 34 ? A 3.471 -10.982 14.542 1.000 1 A 92.820 1 ATOM 278 C CB . GLU 34 34 ? A 3.807 -10.094 16.915 1.000 1 A 92.820 1 ATOM 279 O O . GLU 34 34 ? A 3.444 -10.152 13.629 1.000 1 A 92.820 1 ATOM 280 C CG . GLU 34 34 ? A 3.434 -8.632 16.612 1.000 1 A 92.820 1 ATOM 281 C CD . GLU 34 34 ? A 2.827 -7.864 17.803 1.000 1 A 92.820 1 ATOM 282 O OE1 . GLU 34 34 ? A 2.558 -6.649 17.628 1.000 1 A 92.820 1 ATOM 283 O OE2 . GLU 34 34 ? A 2.626 -8.467 18.881 1.000 1 A 92.820 1 ATOM 284 N N . ARG 35 35 ? A 2.672 -12.050 14.559 1.000 1 A 95.820 1 ATOM 285 C CA . ARG 35 35 ? A 1.653 -12.287 13.539 1.000 1 A 95.820 1 ATOM 286 C C . ARG 35 35 ? A 0.509 -11.275 13.708 1.000 1 A 95.820 1 ATOM 287 C CB . ARG 35 35 ? A 1.184 -13.739 13.648 1.000 1 A 95.820 1 ATOM 288 O O . ARG 35 35 ? A -0.015 -11.158 14.819 1.000 1 A 95.820 1 ATOM 289 C CG . ARG 35 35 ? A 0.141 -14.085 12.583 1.000 1 A 95.820 1 ATOM 290 C CD . ARG 35 35 ? A -0.191 -15.572 12.680 1.000 1 A 95.820 1 ATOM 291 N NE . ARG 35 35 ? A -1.399 -15.871 11.914 1.000 1 A 95.820 1 ATOM 292 N NH1 . ARG 35 35 ? A -0.496 -16.481 9.853 1.000 1 A 95.820 1 ATOM 293 N NH2 . ARG 35 35 ? A -2.672 -16.475 10.205 1.000 1 A 95.820 1 ATOM 294 C CZ . ARG 35 35 ? A -1.493 -16.274 10.666 1.000 1 A 95.820 1 ATOM 295 N N . PRO 36 36 ? A 0.087 -10.563 12.647 1.000 1 A 97.950 1 ATOM 296 C CA . PRO 36 36 ? A -0.947 -9.549 12.779 1.000 1 A 97.950 1 ATOM 297 C C . PRO 36 36 ? A -2.327 -10.156 13.024 1.000 1 A 97.950 1 ATOM 298 C CB . PRO 36 36 ? A -0.860 -8.694 11.517 1.000 1 A 97.950 1 ATOM 299 O O . PRO 36 36 ? A -2.658 -11.223 12.510 1.000 1 A 97.950 1 ATOM 300 C CG . PRO 36 36 ? A -0.317 -9.667 10.475 1.000 1 A 97.950 1 ATOM 301 C CD . PRO 36 36 ? A 0.596 -10.592 11.282 1.000 1 A 97.950 1 ATOM 302 N N . LYS 37 37 ? A -3.157 -9.441 13.793 1.000 1 A 98.400 1 ATOM 303 C CA . LYS 37 37 ? A -4.555 -9.831 14.049 1.000 1 A 98.400 1 ATOM 304 C C . LYS 37 37 ? A -5.412 -9.751 12.788 1.000 1 A 98.400 1 ATOM 305 C CB . LYS 37 37 ? A -5.167 -8.920 15.116 1.000 1 A 98.400 1 ATOM 306 O O . LYS 37 37 ? A -6.354 -10.520 12.638 1.000 1 A 98.400 1 ATOM 307 C CG . LYS 37 37 ? A -4.531 -9.114 16.495 1.000 1 A 98.400 1 ATOM 308 C CD . LYS 37 37 ? A -5.187 -8.141 17.474 1.000 1 A 98.400 1 ATOM 309 C CE . LYS 37 37 ? A -4.539 -8.269 18.851 1.000 1 A 98.400 1 ATOM 310 N NZ . LYS 37 37 ? A -4.966 -7.147 19.712 1.000 1 A 98.400 1 ATOM 311 N N . ALA 38 38 ? A -5.101 -8.783 11.933 1.000 1 A 98.710 1 ATOM 312 C CA . ALA 38 38 ? A -5.671 -8.586 10.610 1.000 1 A 98.710 1 ATOM 313 C C . ALA 38 38 ? A -4.781 -7.622 9.807 1.000 1 A 98.710 1 ATOM 314 C CB . ALA 38 38 ? A -7.091 -8.020 10.741 1.000 1 A 98.710 1 ATOM 315 O O . ALA 38 38 ? A -3.965 -6.893 10.387 1.000 1 A 98.710 1 ATOM 316 N N . VAL 39 39 ? A -4.978 -7.593 8.492 1.000 1 A 98.810 1 ATOM 317 C CA . VAL 39 39 ? A -4.337 -6.659 7.563 1.000 1 A 98.810 1 ATOM 318 C C . VAL 39 39 ? A -5.350 -5.628 7.071 1.000 1 A 98.810 1 ATOM 319 C CB . VAL 39 39 ? A -3.684 -7.387 6.372 1.000 1 A 98.810 1 ATOM 320 O O . VAL 39 39 ? A -6.453 -5.972 6.647 1.000 1 A 98.810 1 ATOM 321 C CG1 . VAL 39 39 ? A -2.864 -6.408 5.522 1.000 1 A 98.810 1 ATOM 322 C CG2 . VAL 39 39 ? A -2.763 -8.520 6.840 1.000 1 A 98.810 1 ATOM 323 N N . ILE 40 40 ? A -4.947 -4.362 7.090 1.000 1 A 98.860 1 ATOM 324 C CA . ILE 40 40 ? A -5.611 -3.259 6.398 1.000 1 A 98.860 1 ATOM 325 C C . ILE 40 40 ? A -4.807 -3.007 5.125 1.000 1 A 98.860 1 ATOM 326 C CB . ILE 40 40 ? A -5.712 -2.006 7.296 1.000 1 A 98.860 1 ATOM 327 O O . ILE 40 40 ? A -3.759 -2.360 5.165 1.000 1 A 98.860 1 ATOM 328 C CG1 . ILE 40 40 ? A -6.317 -2.366 8.671 1.000 1 A 98.860 1 ATOM 329 C CG2 . ILE 40 40 ? A -6.546 -0.928 6.574 1.000 1 A 98.860 1 ATOM 330 C CD1 . ILE 40 40 ? A -6.393 -1.203 9.659 1.000 1 A 98.860 1 ATOM 331 N N . ALA 41 41 ? A -5.269 -3.575 4.014 1.000 1 A 98.780 1 ATOM 332 C CA . ALA 41 41 ? A -4.638 -3.431 2.710 1.000 1 A 98.780 1 ATOM 333 C C . ALA 41 41 ? A -5.133 -2.150 2.025 1.000 1 A 98.780 1 ATOM 334 C CB . ALA 41 41 ? A -4.913 -4.690 1.879 1.000 1 A 98.780 1 ATOM 335 O O . ALA 41 41 ? A -6.334 -1.931 1.875 1.000 1 A 98.780 1 ATOM 336 N N . ILE 42 42 ? A -4.214 -1.291 1.599 1.000 1 A 98.820 1 ATOM 337 C CA . ILE 42 42 ? A -4.532 -0.075 0.848 1.000 1 A 98.820 1 ATOM 338 C C . ILE 42 42 ? A -3.980 -0.246 -0.557 1.000 1 A 98.820 1 ATOM 339 C CB . ILE 42 42 ? A -3.985 1.169 1.568 1.000 1 A 98.820 1 ATOM 340 O O . ILE 42 42 ? A -2.795 -0.026 -0.782 1.000 1 A 98.820 1 ATOM 341 C CG1 . ILE 42 42 ? A -4.572 1.300 2.992 1.000 1 A 98.820 1 ATOM 342 C CG2 . ILE 42 42 ? A -4.294 2.439 0.768 1.000 1 A 98.820 1 ATOM 343 C CD1 . ILE 42 42 ? A -3.542 0.984 4.078 1.000 1 A 98.820 1 ATOM 344 N N . SER 43 43 ? A -4.826 -0.679 -1.486 1.000 1 A 98.110 1 ATOM 345 C CA . SER 43 43 ? A -4.419 -0.974 -2.858 1.000 1 A 98.110 1 ATOM 346 C C . SER 43 43 ? A -4.624 0.217 -3.792 1.000 1 A 98.110 1 ATOM 347 C CB . SER 43 43 ? A -5.180 -2.190 -3.378 1.000 1 A 98.110 1 ATOM 348 O O . SER 43 43 ? A -5.684 0.847 -3.785 1.000 1 A 98.110 1 ATOM 349 O OG . SER 43 43 ? A -4.738 -2.472 -4.684 1.000 1 A 98.110 1 ATOM 350 N N . GLY 44 44 ? A -3.639 0.474 -4.658 1.000 1 A 97.210 1 ATOM 351 C CA . GLY 44 44 ? A -3.765 1.411 -5.780 1.000 1 A 97.210 1 ATOM 352 C C . GLY 44 44 ? A -4.872 1.047 -6.783 1.000 1 A 97.210 1 ATOM 353 O O . GLY 44 44 ? A -5.323 1.915 -7.521 1.000 1 A 97.210 1 ATOM 354 N N . HIS 45 45 ? A -5.371 -0.196 -6.783 1.000 1 A 97.680 1 ATOM 355 C CA . HIS 45 45 ? A -6.436 -0.656 -7.694 1.000 1 A 97.680 1 ATOM 356 C C . HIS 45 45 ? A -7.852 -0.402 -7.185 1.000 1 A 97.680 1 ATOM 357 C CB . HIS 45 45 ? A -6.256 -2.140 -8.003 1.000 1 A 97.680 1 ATOM 358 O O . HIS 45 45 ? A -8.832 -0.684 -7.880 1.000 1 A 97.680 1 ATOM 359 C CG . HIS 45 45 ? A -4.972 -2.396 -8.724 1.000 1 A 97.680 1 ATOM 360 C CD2 . HIS 45 45 ? A -3.789 -2.685 -8.119 1.000 1 A 97.680 1 ATOM 361 N ND1 . HIS 45 45 ? A -4.749 -2.120 -10.072 1.000 1 A 97.680 1 ATOM 362 C CE1 . HIS 45 45 ? A -3.428 -2.253 -10.242 1.000 1 A 97.680 1 ATOM 363 N NE2 . HIS 45 45 ? A -2.833 -2.614 -9.096 1.000 1 A 97.680 1 ATOM 364 N N . TRP 46 46 ? A -8.000 0.125 -5.968 1.000 1 A 98.040 1 ATOM 365 C CA . TRP 46 46 ? A -9.309 0.483 -5.440 1.000 1 A 98.040 1 ATOM 366 C C . TRP 46 46 ? A -9.433 1.986 -5.225 1.000 1 A 98.040 1 ATOM 367 C CB . TRP 46 46 ? A -9.664 -0.370 -4.226 1.000 1 A 98.040 1 ATOM 368 O O . TRP 46 46 ? A -9.267 2.499 -4.121 1.000 1 A 98.040 1 ATOM 369 C CG . TRP 46 46 ? A -11.115 -0.317 -3.847 1.000 1 A 98.040 1 ATOM 370 C CD1 . TRP 46 46 ? A -12.163 -0.080 -4.676 1.000 1 A 98.040 1 ATOM 371 C CD2 . TRP 46 46 ? A -11.692 -0.473 -2.522 1.000 1 A 98.040 1 ATOM 372 C CE2 . TRP 46 46 ? A -13.109 -0.339 -2.626 1.000 1 A 98.040 1 ATOM 373 C CE3 . TRP 46 46 ? A -11.159 -0.680 -1.236 1.000 1 A 98.040 1 ATOM 374 N NE1 . TRP 46 46 ? A -13.340 -0.107 -3.960 1.000 1 A 98.040 1 ATOM 375 C CH2 . TRP 46 46 ? A -13.403 -0.666 -0.259 1.000 1 A 98.040 1 ATOM 376 C CZ2 . TRP 46 46 ? A -13.964 -0.445 -1.523 1.000 1 A 98.040 1 ATOM 377 C CZ3 . TRP 46 46 ? A -12.009 -0.760 -0.119 1.000 1 A 98.040 1 ATOM 378 N N . ASP 47 47 ? A -9.755 2.681 -6.313 1.000 1 A 97.610 1 ATOM 379 C CA . ASP 47 47 ? A -9.997 4.119 -6.337 1.000 1 A 97.610 1 ATOM 380 C C . ASP 47 47 ? A -11.497 4.431 -6.256 1.000 1 A 97.610 1 ATOM 381 C CB . ASP 47 47 ? A -9.345 4.708 -7.589 1.000 1 A 97.610 1 ATOM 382 O O . ASP 47 47 ? A -12.318 3.885 -6.998 1.000 1 A 97.610 1 ATOM 383 C CG . ASP 47 47 ? A -9.364 6.233 -7.620 1.000 1 A 97.610 1 ATOM 384 O OD1 . ASP 47 47 ? A -9.595 6.893 -6.581 1.000 1 A 97.610 1 ATOM 385 O OD2 . ASP 47 47 ? A -9.090 6.780 -8.704 1.000 1 A 97.610 1 ATOM 386 N N . THR 48 48 ? A -11.872 5.302 -5.326 1.000 1 A 98.310 1 ATOM 387 C CA . THR 48 48 ? A -13.264 5.676 -5.056 1.000 1 A 98.310 1 ATOM 388 C C . THR 48 48 ? A -13.386 7.187 -4.854 1.000 1 A 98.310 1 ATOM 389 C CB . THR 48 48 ? A -13.814 4.931 -3.830 1.000 1 A 98.310 1 ATOM 390 O O . THR 48 48 ? A -12.408 7.905 -4.665 1.000 1 A 98.310 1 ATOM 391 C CG2 . THR 48 48 ? A -13.767 3.407 -3.936 1.000 1 A 98.310 1 ATOM 392 O OG1 . THR 48 48 ? A -13.077 5.333 -2.712 1.000 1 A 98.310 1 ATOM 393 N N . ALA 49 49 ? A -14.611 7.718 -4.877 1.000 1 A 97.740 1 ATOM 394 C CA . ALA 49 49 ? A -14.831 9.154 -4.669 1.000 1 A 97.740 1 ATOM 395 C C . ALA 49 49 ? A -14.662 9.594 -3.198 1.000 1 A 97.740 1 ATOM 396 C CB . ALA 49 49 ? A -16.227 9.499 -5.198 1.000 1 A 97.740 1 ATOM 397 O O . ALA 49 49 ? A -14.346 10.755 -2.922 1.000 1 A 97.740 1 ATOM 398 N N . VAL 50 50 ? A -14.903 8.683 -2.252 1.000 1 A 98.400 1 ATOM 399 C CA . VAL 50 50 ? A -14.829 8.901 -0.799 1.000 1 A 98.400 1 ATOM 400 C C . VAL 50 50 ? A -14.221 7.665 -0.135 1.000 1 A 98.400 1 ATOM 401 C CB . VAL 50 50 ? A -16.212 9.189 -0.170 1.000 1 A 98.400 1 ATOM 402 O O . VAL 50 50 ? A -14.441 6.570 -0.654 1.000 1 A 98.400 1 ATOM 403 C CG1 . VAL 50 50 ? A -16.822 10.487 -0.713 1.000 1 A 98.400 1 ATOM 404 C CG2 . VAL 50 50 ? A -17.235 8.060 -0.359 1.000 1 A 98.400 1 ATOM 405 N N . PRO 51 51 ? A -13.525 7.793 1.013 1.000 1 A 98.680 1 ATOM 406 C CA . PRO 51 51 ? A -12.960 6.640 1.706 1.000 1 A 98.680 1 ATOM 407 C C . PRO 51 51 ? A -13.982 5.509 1.841 1.000 1 A 98.680 1 ATOM 408 C CB . PRO 51 51 ? A -12.495 7.152 3.070 1.000 1 A 98.680 1 ATOM 409 O O . PRO 51 51 ? A -15.103 5.724 2.302 1.000 1 A 98.680 1 ATOM 410 C CG . PRO 51 51 ? A -12.216 8.631 2.819 1.000 1 A 98.680 1 ATOM 411 C CD . PRO 51 51 ? A -13.242 9.016 1.753 1.000 1 A 98.680 1 ATOM 412 N N . SER 52 52 ? A -13.610 4.318 1.397 1.000 1 A 98.810 1 ATOM 413 C CA . SER 52 52 ? A -14.469 3.141 1.372 1.000 1 A 98.810 1 ATOM 414 C C . SER 52 52 ? A -13.713 1.967 1.979 1.000 1 A 98.810 1 ATOM 415 C CB . SER 52 52 ? A -14.920 2.827 -0.057 1.000 1 A 98.810 1 ATOM 416 O O . SER 52 52 ? A -12.523 1.805 1.720 1.000 1 A 98.810 1 ATOM 417 O OG . SER 52 52 ? A -15.601 3.936 -0.624 1.000 1 A 98.810 1 ATOM 418 N N . VAL 53 53 ? A -14.385 1.167 2.803 1.000 1 A 98.660 1 ATOM 419 C CA . VAL 53 53 ? A -13.794 0.032 3.520 1.000 1 A 98.660 1 ATOM 420 C C . VAL 53 53 ? A -14.607 -1.233 3.273 1.000 1 A 98.660 1 ATOM 421 C CB . VAL 53 53 ? A -13.630 0.356 5.017 1.000 1 A 98.660 1 ATOM 422 O O . VAL 53 53 ? A -15.837 -1.191 3.279 1.000 1 A 98.660 1 ATOM 423 C CG1 . VAL 53 53 ? A -14.958 0.525 5.769 1.000 1 A 98.660 1 ATOM 424 C CG2 . VAL 53 53 ? A -12.778 -0.693 5.732 1.000 1 A 98.660 1 ATOM 425 N N . THR 54 54 ? A -13.942 -2.363 3.042 1.000 1 A 98.350 1 ATOM 426 C CA . THR 54 54 ? A -14.640 -3.641 2.833 1.000 1 A 98.350 1 ATOM 427 C C . THR 54 54 ? A -15.138 -4.215 4.157 1.000 1 A 98.350 1 ATOM 428 C CB . THR 54 54 ? A -13.762 -4.688 2.144 1.000 1 A 98.350 1 ATOM 429 O O . THR 54 54 ? A -14.360 -4.332 5.103 1.000 1 A 98.350 1 ATOM 430 C CG2 . THR 54 54 ? A -13.361 -4.268 0.736 1.000 1 A 98.350 1 ATOM 431 O OG1 . THR 54 54 ? A -12.603 -4.877 2.918 1.000 1 A 98.350 1 ATOM 432 N N . VAL 55 55 ? A -16.398 -4.648 4.211 1.000 1 A 97.520 1 ATOM 433 C CA . VAL 55 55 ? A -17.031 -5.260 5.401 1.000 1 A 97.520 1 ATOM 434 C C . VAL 55 55 ? A -17.478 -6.709 5.173 1.000 1 A 97.520 1 ATOM 435 C CB . VAL 55 55 ? A -18.195 -4.401 5.938 1.000 1 A 97.520 1 ATOM 436 O O . VAL 55 55 ? A -18.248 -7.254 5.964 1.000 1 A 97.520 1 ATOM 437 C CG1 . VAL 55 55 ? A -17.718 -3.039 6.443 1.000 1 A 97.520 1 ATOM 438 C CG2 . VAL 55 55 ? A -19.294 -4.188 4.892 1.000 1 A 97.520 1 ATOM 439 N N . ALA 56 56 ? A -17.031 -7.344 4.087 1.000 1 A 93.610 1 ATOM 440 C CA . ALA 56 56 ? A -17.328 -8.748 3.818 1.000 1 A 93.610 1 ATOM 441 C C . ALA 56 56 ? A -16.795 -9.649 4.949 1.000 1 A 93.610 1 ATOM 442 C CB . ALA 56 56 ? A -16.748 -9.129 2.451 1.000 1 A 93.610 1 ATOM 443 O O . ALA 56 56 ? A -15.745 -9.379 5.523 1.000 1 A 93.610 1 ATOM 444 N N . SER 57 57 ? A -17.507 -10.732 5.277 1.000 1 A 94.720 1 ATOM 445 C CA . SER 57 57 ? A -17.043 -11.727 6.260 1.000 1 A 94.720 1 ATOM 446 C C . SER 57 57 ? A -15.955 -12.645 5.699 1.000 1 A 94.720 1 ATOM 447 C CB . SER 57 57 ? A -18.222 -12.577 6.736 1.000 1 A 94.720 1 ATOM 448 O O . SER 57 57 ? A -15.144 -13.189 6.448 1.000 1 A 94.720 1 ATOM 449 O OG . SER 57 57 ? A -18.885 -13.158 5.627 1.000 1 A 94.720 1 ATOM 450 N N . ARG 58 58 ? A -15.921 -12.805 4.376 1.000 1 A 96.360 1 ATOM 451 C CA . ARG 58 58 ? A -14.901 -13.534 3.630 1.000 1 A 96.360 1 ATOM 452 C C . ARG 58 58 ? A -14.680 -12.833 2.302 1.000 1 A 96.360 1 ATOM 453 C CB . ARG 58 58 ? A -15.355 -14.988 3.450 1.000 1 A 96.360 1 ATOM 454 O O . ARG 58 58 ? A -15.646 -12.446 1.646 1.000 1 A 96.360 1 ATOM 455 C CG . ARG 58 58 ? A -14.273 -15.855 2.796 1.000 1 A 96.360 1 ATOM 456 C CD . ARG 58 58 ? A -14.656 -17.342 2.869 1.000 1 A 96.360 1 ATOM 457 N NE . ARG 58 58 ? A -13.612 -18.129 3.556 1.000 1 A 96.360 1 ATOM 458 N NH1 . ARG 58 58 ? A -13.024 -19.528 1.823 1.000 1 A 96.360 1 ATOM 459 N NH2 . ARG 58 58 ? A -11.884 -19.600 3.730 1.000 1 A 96.360 1 ATOM 460 C CZ . ARG 58 58 ? A -12.854 -19.080 3.034 1.000 1 A 96.360 1 ATOM 461 N N . ASN 59 59 ? A -13.421 -12.667 1.926 1.000 1 A 97.670 1 ATOM 462 C CA . ASN 59 59 ? A -13.073 -12.003 0.686 1.000 1 A 97.670 1 ATOM 463 C C . ASN 59 59 ? A -13.200 -12.957 -0.507 1.000 1 A 97.670 1 ATOM 464 C CB . ASN 59 59 ? A -11.660 -11.444 0.808 1.000 1 A 97.670 1 ATOM 465 O O . ASN 59 59 ? A -12.764 -14.107 -0.438 1.000 1 A 97.670 1 ATOM 466 C CG . ASN 59 59 ? A -11.573 -10.301 1.807 1.000 1 A 97.670 1 ATOM 467 N ND2 . ASN 59 59 ? A -10.988 -10.523 2.962 1.000 1 A 97.670 1 ATOM 468 O OD1 . ASN 59 59 ? A -12.066 -9.213 1.566 1.000 1 A 97.670 1 ATOM 469 N N . SER 60 60 ? A -13.759 -12.461 -1.609 1.000 1 A 97.240 1 ATOM 470 C CA . SER 60 60 ? A -13.564 -13.048 -2.936 1.000 1 A 97.240 1 ATOM 471 C C . SER 60 60 ? A -12.287 -12.497 -3.569 1.000 1 A 97.240 1 ATOM 472 C CB . SER 60 60 ? A -14.777 -12.771 -3.833 1.000 1 A 97.240 1 ATOM 473 O O . SER 60 60 ? A -11.868 -11.379 -3.262 1.000 1 A 97.240 1 ATOM 474 O OG . SER 60 60 ? A -15.066 -11.385 -3.892 1.000 1 A 97.240 1 ATOM 475 N N . THR 61 61 ? A -11.673 -13.258 -4.470 1.000 1 A 97.810 1 ATOM 476 C CA . THR 61 61 ? A -10.542 -12.786 -5.278 1.000 1 A 97.810 1 ATOM 477 C C . THR 61 61 ? A -11.055 -12.063 -6.517 1.000 1 A 97.810 1 ATOM 478 C CB . THR 61 61 ? A -9.614 -13.951 -5.636 1.000 1 A 97.810 1 ATOM 479 O O . THR 61 61 ? A -11.951 -12.547 -7.207 1.000 1 A 97.810 1 ATOM 480 C CG2 . THR 61 61 ? A -8.360 -13.530 -6.395 1.000 1 A 97.810 1 ATOM 481 O OG1 . THR 61 61 ? A -9.190 -14.500 -4.412 1.000 1 A 97.810 1 ATOM 482 N N . ILE 62 62 ? A -10.506 -10.882 -6.787 1.000 1 A 97.280 1 ATOM 483 C CA . ILE 62 62 ? A -10.759 -10.091 -7.987 1.000 1 A 97.280 1 ATOM 484 C C . ILE 62 62 ? A -9.537 -10.183 -8.896 1.000 1 A 97.280 1 ATOM 485 C CB . ILE 62 62 ? A -11.138 -8.627 -7.657 1.000 1 A 97.280 1 ATOM 486 O O . ILE 62 62 ? A -8.412 -9.899 -8.484 1.000 1 A 97.280 1 ATOM 487 C CG1 . ILE 62 62 ? A -12.330 -8.601 -6.671 1.000 1 A 97.280 1 ATOM 488 C CG2 . ILE 62 62 ? A -11.407 -7.845 -8.958 1.000 1 A 97.280 1 ATOM 489 C CD1 . ILE 62 62 ? A -13.212 -7.352 -6.722 1.000 1 A 97.280 1 ATOM 490 N N . HIS 63 63 ? A -9.799 -10.530 -10.153 1.000 1 A 97.130 1 ATOM 491 C CA . HIS 63 63 ? A -8.849 -10.461 -11.257 1.000 1 A 97.130 1 ATOM 492 C C . HIS 63 63 ? A -9.131 -9.187 -12.061 1.000 1 A 97.130 1 ATOM 493 C CB . HIS 63 63 ? A -8.960 -11.744 -12.090 1.000 1 A 97.130 1 ATOM 494 O O . HIS 63 63 ? A -9.881 -9.191 -13.034 1.000 1 A 97.130 1 ATOM 495 C CG . HIS 63 63 ? A -8.667 -12.986 -11.289 1.000 1 A 97.130 1 ATOM 496 C CD2 . HIS 63 63 ? A -7.454 -13.323 -10.760 1.000 1 A 97.130 1 ATOM 497 N ND1 . HIS 63 63 ? A -9.558 -13.965 -10.899 1.000 1 A 97.130 1 ATOM 498 C CE1 . HIS 63 63 ? A -8.885 -14.874 -10.169 1.000 1 A 97.130 1 ATOM 499 N NE2 . HIS 63 63 ? A -7.604 -14.510 -10.059 1.000 1 A 97.130 1 ATOM 500 N N . ASP 64 64 ? A -8.572 -8.072 -11.608 1.000 1 A 95.420 1 ATOM 501 C CA . ASP 64 64 ? A -8.730 -6.717 -12.157 1.000 1 A 95.420 1 ATOM 502 C C . ASP 64 64 ? A -7.737 -6.403 -13.293 1.000 1 A 95.420 1 ATOM 503 C CB . ASP 64 64 ? A -8.685 -5.699 -11.006 1.000 1 A 95.420 1 ATOM 504 O O . ASP 64 64 ? A -7.457 -5.250 -13.613 1.000 1 A 95.420 1 ATOM 505 C CG . ASP 64 64 ? A -7.393 -5.749 -10.187 1.000 1 A 95.420 1 ATOM 506 O OD1 . ASP 64 64 ? A -6.831 -6.847 -9.963 1.000 1 A 95.420 1 ATOM 507 O OD2 . ASP 64 64 ? A -6.981 -4.697 -9.685 1.000 1 A 95.420 1 ATOM 508 N N . PHE 65 65 ? A -7.234 -7.449 -13.945 1.000 1 A 94.290 1 ATOM 509 C CA . PHE 65 65 ? A -6.283 -7.396 -15.049 1.000 1 A 94.290 1 ATOM 510 C C . PHE 65 65 ? A -6.719 -8.305 -16.205 1.000 1 A 94.290 1 ATOM 511 C CB . PHE 65 65 ? A -4.892 -7.774 -14.530 1.000 1 A 94.290 1 ATOM 512 O O . PHE 65 65 ? A -7.481 -9.260 -16.047 1.000 1 A 94.290 1 ATOM 513 C CG . PHE 65 65 ? A -4.862 -9.063 -13.736 1.000 1 A 94.290 1 ATOM 514 C CD1 . PHE 65 65 ? A -4.787 -9.003 -12.335 1.000 1 A 94.290 1 ATOM 515 C CD2 . PHE 65 65 ? A -4.936 -10.315 -14.379 1.000 1 A 94.290 1 ATOM 516 C CE1 . PHE 65 65 ? A -4.730 -10.189 -11.594 1.000 1 A 94.290 1 ATOM 517 C CE2 . PHE 65 65 ? A -4.917 -11.500 -13.627 1.000 1 A 94.290 1 ATOM 518 C CZ . PHE 65 65 ? A -4.780 -11.435 -12.233 1.000 1 A 94.290 1 ATOM 519 N N . TYR 66 66 ? A -6.196 -8.035 -17.399 1.000 1 A 94.500 1 ATOM 520 C CA . TYR 66 66 ? A -6.531 -8.757 -18.627 1.000 1 A 94.500 1 ATOM 521 C C . TYR 66 66 ? A -5.274 -9.130 -19.425 1.000 1 A 94.500 1 ATOM 522 C CB . TYR 66 66 ? A -7.547 -7.962 -19.444 1.000 1 A 94.500 1 ATOM 523 O O . TYR 66 66 ? A -4.235 -8.487 -19.299 1.000 1 A 94.500 1 ATOM 524 C CG . TYR 66 66 ? A -7.067 -6.594 -19.858 1.000 1 A 94.500 1 ATOM 525 C CD1 . TYR 66 66 ? A -7.305 -5.488 -19.021 1.000 1 A 94.500 1 ATOM 526 C CD2 . TYR 66 66 ? A -6.364 -6.437 -21.066 1.000 1 A 94.500 1 ATOM 527 C CE1 . TYR 66 66 ? A -6.845 -4.215 -19.398 1.000 1 A 94.500 1 ATOM 528 C CE2 . TYR 66 66 ? A -5.902 -5.165 -21.446 1.000 1 A 94.500 1 ATOM 529 O OH . TYR 66 66 ? A -5.708 -2.822 -20.982 1.000 1 A 94.500 1 ATOM 530 C CZ . TYR 66 66 ? A -6.146 -4.052 -20.612 1.000 1 A 94.500 1 ATOM 531 N N . GLY 67 67 ? A -5.379 -10.153 -20.279 1.000 1 A 93.340 1 ATOM 532 C CA . GLY 67 67 ? A -4.307 -10.541 -21.206 1.000 1 A 93.340 1 ATOM 533 C C . GLY 67 67 ? A -3.189 -11.394 -20.596 1.000 1 A 93.340 1 ATOM 534 O O . GLY 67 67 ? A -2.112 -11.482 -21.184 1.000 1 A 93.340 1 ATOM 535 N N . PHE 68 68 ? A -3.434 -12.014 -19.440 1.000 1 A 94.190 1 ATOM 536 C CA . PHE 68 68 ? A -2.493 -12.911 -18.763 1.000 1 A 94.190 1 ATOM 537 C C . PHE 68 68 ? A -2.824 -14.400 -18.999 1.000 1 A 94.190 1 ATOM 538 C CB . PHE 68 68 ? A -2.452 -12.528 -17.280 1.000 1 A 94.190 1 ATOM 539 O O . PHE 68 68 ? A -3.893 -14.708 -19.534 1.000 1 A 94.190 1 ATOM 540 C CG . PHE 68 68 ? A -1.709 -11.230 -17.025 1.000 1 A 94.190 1 ATOM 541 C CD1 . PHE 68 68 ? A -0.307 -11.231 -16.918 1.000 1 A 94.190 1 ATOM 542 C CD2 . PHE 68 68 ? A -2.406 -10.013 -16.937 1.000 1 A 94.190 1 ATOM 543 C CE1 . PHE 68 68 ? A 0.392 -10.028 -16.704 1.000 1 A 94.190 1 ATOM 544 C CE2 . PHE 68 68 ? A -1.710 -8.812 -16.717 1.000 1 A 94.190 1 ATOM 545 C CZ . PHE 68 68 ? A -0.312 -8.819 -16.591 1.000 1 A 94.190 1 ATOM 546 N N . PRO 69 69 ? A -1.918 -15.336 -18.648 1.000 1 A 95.320 1 ATOM 547 C CA . PRO 69 69 ? A -2.180 -16.774 -18.732 1.000 1 A 95.320 1 ATOM 548 C C . PRO 69 69 ? A -3.376 -17.217 -17.879 1.000 1 A 95.320 1 ATOM 549 C CB . PRO 69 69 ? A -0.886 -17.465 -18.290 1.000 1 A 95.320 1 ATOM 550 O O . PRO 69 69 ? A -3.709 -16.582 -16.877 1.000 1 A 95.320 1 ATOM 551 C CG . PRO 69 69 ? A 0.189 -16.414 -18.550 1.000 1 A 95.320 1 ATOM 552 C CD . PRO 69 69 ? A -0.541 -15.116 -18.226 1.000 1 A 95.320 1 ATOM 553 N N . LYS 70 70 ? A -4.015 -18.324 -18.272 1.000 1 A 96.040 1 ATOM 554 C CA . LYS 70 70 ? A -5.230 -18.855 -17.628 1.000 1 A 96.040 1 ATOM 555 C C . LYS 70 70 ? A -4.998 -19.182 -16.154 1.000 1 A 96.040 1 ATOM 556 C CB . LYS 70 70 ? A -5.682 -20.105 -18.391 1.000 1 A 96.040 1 ATOM 557 O O . LYS 70 70 ? A -5.859 -18.904 -15.331 1.000 1 A 96.040 1 ATOM 558 C CG . LYS 70 70 ? A -6.988 -20.695 -17.835 1.000 1 A 96.040 1 ATOM 559 C CD . LYS 70 70 ? A -7.382 -21.934 -18.643 1.000 1 A 96.040 1 ATOM 560 C CE . LYS 70 70 ? A -8.698 -22.524 -18.124 1.000 1 A 96.040 1 ATOM 561 N NZ . LYS 70 70 ? A -8.483 -23.815 -17.443 1.000 1 A 96.040 1 ATOM 562 N N . GLU 71 71 ? A -3.825 -19.713 -15.845 1.000 1 A 95.790 1 ATOM 563 C CA . GLU 71 71 ? A -3.379 -20.121 -14.516 1.000 1 A 95.790 1 ATOM 564 C C . GLU 71 71 ? A -3.475 -18.967 -13.510 1.000 1 A 95.790 1 ATOM 565 C CB . GLU 71 71 ? A -1.913 -20.596 -14.606 1.000 1 A 95.790 1 ATOM 566 O O . GLU 71 71 ? A -3.792 -19.180 -12.345 1.000 1 A 95.790 1 ATOM 567 C CG . GLU 71 71 ? A -1.662 -21.815 -15.520 1.000 1 A 95.790 1 ATOM 568 C CD . GLU 71 71 ? A -1.654 -21.541 -17.041 1.000 1 A 95.790 1 ATOM 569 O OE1 . GLU 71 71 ? A -1.604 -22.526 -17.809 1.000 1 A 95.790 1 ATOM 570 O OE2 . GLU 71 71 ? A -1.739 -20.361 -17.467 1.000 1 A 95.790 1 ATOM 571 N N . LEU 72 72 ? A -3.266 -17.727 -13.967 1.000 1 A 95.290 1 ATOM 572 C CA . LEU 72 72 ? A -3.367 -16.544 -13.119 1.000 1 A 95.290 1 ATOM 573 C C . LEU 72 72 ? A -4.813 -16.231 -12.713 1.000 1 A 95.290 1 ATOM 574 C CB . LEU 72 72 ? A -2.714 -15.368 -13.864 1.000 1 A 95.290 1 ATOM 575 O O . LEU 72 72 ? A -5.031 -15.729 -11.620 1.000 1 A 95.290 1 ATOM 576 C CG . LEU 72 72 ? A -2.441 -14.138 -12.986 1.000 1 A 95.290 1 ATOM 577 C CD1 . LEU 72 72 ? A -1.428 -14.373 -11.870 1.000 1 A 95.290 1 ATOM 578 C CD2 . LEU 72 72 ? A -1.878 -13.042 -13.886 1.000 1 A 95.290 1 ATOM 579 N N . TYR 73 73 ? A -5.791 -16.545 -13.569 1.000 1 A 96.600 1 ATOM 580 C CA . TYR 73 73 ? A -7.224 -16.375 -13.285 1.000 1 A 96.600 1 ATOM 581 C C . TYR 73 73 ? A -7.812 -17.504 -12.433 1.000 1 A 96.600 1 ATOM 582 C CB . TYR 73 73 ? A -8.005 -16.283 -14.602 1.000 1 A 96.600 1 ATOM 583 O O . TYR 73 73 ? A -8.956 -17.404 -11.992 1.000 1 A 96.600 1 ATOM 584 C CG . TYR 73 73 ? A -7.654 -15.079 -15.440 1.000 1 A 96.600 1 ATOM 585 C CD1 . TYR 73 73 ? A -8.227 -13.833 -15.129 1.000 1 A 96.600 1 ATOM 586 C CD2 . TYR 73 73 ? A -6.729 -15.193 -16.492 1.000 1 A 96.600 1 ATOM 587 C CE1 . TYR 73 73 ? A -7.855 -12.689 -15.854 1.000 1 A 96.600 1 ATOM 588 C CE2 . TYR 73 73 ? A -6.368 -14.055 -17.232 1.000 1 A 96.600 1 ATOM 589 O OH . TYR 73 73 ? A -6.499 -11.688 -17.532 1.000 1 A 96.600 1 ATOM 590 C CZ . TYR 73 73 ? A -6.915 -12.805 -16.896 1.000 1 A 96.600 1 ATOM 591 N N . GLU 74 74 ? A -7.059 -18.589 -12.249 1.000 1 A 95.920 1 ATOM 592 C CA . GLU 74 74 ? A -7.424 -19.721 -11.394 1.000 1 A 95.920 1 ATOM 593 C C . GLU 74 74 ? A -6.894 -19.555 -9.962 1.000 1 A 95.920 1 ATOM 594 C CB . GLU 74 74 ? A -6.916 -21.029 -12.030 1.000 1 A 95.920 1 ATOM 595 O O . GLU 74 74 ? A -7.268 -20.333 -9.084 1.000 1 A 95.920 1 ATOM 596 C CG . GLU 74 74 ? A -7.643 -21.352 -13.347 1.000 1 A 95.920 1 ATOM 597 C CD . GLU 74 74 ? A -7.132 -22.616 -14.058 1.000 1 A 95.920 1 ATOM 598 O OE1 . GLU 74 74 ? A -7.824 -23.056 -15.014 1.000 1 A 95.920 1 ATOM 599 O OE2 . GLU 74 74 ? A -6.057 -23.149 -13.718 1.000 1 A 95.920 1 ATOM 600 N N . LEU 75 75 ? A -6.044 -18.551 -9.706 1.000 1 A 96.040 1 ATOM 601 C CA . LEU 75 75 ? A -5.577 -18.250 -8.359 1.000 1 A 96.040 1 ATOM 602 C C . LEU 75 75 ? A -6.721 -17.718 -7.494 1.000 1 A 96.040 1 ATOM 603 C CB . LEU 75 75 ? A -4.406 -17.253 -8.377 1.000 1 A 96.040 1 ATOM 604 O O . LEU 75 75 ? A -7.466 -16.816 -7.874 1.000 1 A 96.040 1 ATOM 605 C CG . LEU 75 75 ? A -3.083 -17.793 -8.944 1.000 1 A 96.040 1 ATOM 606 C CD1 . LEU 75 75 ? A -2.026 -16.694 -8.845 1.000 1 A 96.040 1 ATOM 607 C CD2 . LEU 75 75 ? A -2.552 -19.008 -8.176 1.000 1 A 96.040 1 ATOM 608 N N . GLU 76 76 ? A -6.804 -18.242 -6.277 1.000 1 A 96.780 1 ATOM 609 C CA . GLU 76 76 ? A -7.719 -17.760 -5.254 1.000 1 A 96.780 1 ATOM 610 C C . GLU 76 76 ? A -6.953 -17.436 -3.969 1.000 1 A 96.780 1 ATOM 611 C CB . GLU 76 76 ? A -8.848 -18.765 -4.985 1.000 1 A 96.780 1 ATOM 612 O O . GLU 76 76 ? A -6.098 -18.188 -3.508 1.000 1 A 96.780 1 ATOM 613 C CG . GLU 76 76 ? A -9.821 -18.935 -6.166 1.000 1 A 96.780 1 ATOM 614 C CD . GLU 76 76 ? A -11.123 -19.664 -5.774 1.000 1 A 96.780 1 ATOM 615 O OE1 . GLU 76 76 ? A -12.085 -19.613 -6.576 1.000 1 A 96.780 1 ATOM 616 O OE2 . GLU 76 76 ? A -11.200 -20.219 -4.650 1.000 1 A 96.780 1 ATOM 617 N N . TYR 77 77 ? A -7.308 -16.309 -3.363 1.000 1 A 97.810 1 ATOM 618 C CA . TYR 77 77 ? A -6.828 -15.845 -2.067 1.000 1 A 97.810 1 ATOM 619 C C . TYR 77 77 ? A -8.033 -15.382 -1.239 1.000 1 A 97.810 1 ATOM 620 C CB . TYR 77 77 ? A -5.763 -14.761 -2.260 1.000 1 A 97.810 1 ATOM 621 O O . TYR 77 77 ? A -8.349 -14.194 -1.131 1.000 1 A 97.810 1 ATOM 622 C CG . TYR 77 77 ? A -5.025 -14.436 -0.976 1.000 1 A 97.810 1 ATOM 623 C CD1 . TYR 77 77 ? A -5.429 -13.353 -0.171 1.000 1 A 97.810 1 ATOM 624 C CD2 . TYR 77 77 ? A -3.963 -15.260 -0.559 1.000 1 A 97.810 1 ATOM 625 C CE1 . TYR 77 77 ? A -4.785 -13.105 1.056 1.000 1 A 97.810 1 ATOM 626 C CE2 . TYR 77 77 ? A -3.315 -15.014 0.665 1.000 1 A 97.810 1 ATOM 627 O OH . TYR 77 77 ? A -3.163 -13.746 2.696 1.000 1 A 97.810 1 ATOM 628 C CZ . TYR 77 77 ? A -3.735 -13.947 1.482 1.000 1 A 97.810 1 ATOM 629 N N . THR 78 78 ? A -8.771 -16.351 -0.693 1.000 1 A 97.160 1 ATOM 630 C CA . THR 78 78 ? A -10.057 -16.124 -0.012 1.000 1 A 97.160 1 ATOM 631 C C . THR 78 78 ? A -9.890 -15.856 1.484 1.000 1 A 97.160 1 ATOM 632 C CB . THR 78 78 ? A -11.053 -17.267 -0.263 1.000 1 A 97.160 1 ATOM 633 O O . THR 78 78 ? A -10.484 -16.548 2.321 1.000 1 A 97.160 1 ATOM 634 C CG2 . THR 78 78 ? A -11.338 -17.480 -1.745 1.000 1 A 97.160 1 ATOM 635 O OG1 . THR 78 78 ? A -10.572 -18.477 0.290 1.000 1 A 97.160 1 ATOM 636 N N . ALA 79 79 ? A -9.048 -14.885 1.839 1.000 1 A 98.170 1 ATOM 637 C CA . ALA 79 79 ? A -8.790 -14.561 3.237 1.000 1 A 98.170 1 ATOM 638 C C . ALA 79 79 ? A -10.086 -14.163 3.980 1.000 1 A 98.170 1 ATOM 639 C CB . ALA 79 79 ? A -7.717 -13.474 3.321 1.000 1 A 98.170 1 ATOM 640 O O . ALA 79 79 ? A -10.960 -13.512 3.384 1.000 1 A 98.170 1 ATOM 641 N N . PRO 80 80 ? A -10.247 -14.512 5.274 1.000 1 A 98.480 1 ATOM 642 C CA . PRO 80 80 ? A -11.348 -14.006 6.088 1.000 1 A 98.480 1 ATOM 643 C C . PRO 80 80 ? A -11.412 -12.478 6.028 1.000 1 A 98.480 1 ATOM 644 C CB . PRO 80 80 ? A -11.081 -14.492 7.517 1.000 1 A 98.480 1 ATOM 645 O O . PRO 80 80 ? A -10.390 -11.813 5.885 1.000 1 A 98.480 1 ATOM 646 C CG . PRO 80 80 ? A -10.168 -15.702 7.329 1.000 1 A 98.480 1 ATOM 647 C CD . PRO 80 80 ? A -9.371 -15.356 6.074 1.000 1 A 98.480 1 ATOM 648 N N . GLY 81 81 ? A -12.599 -11.900 6.142 1.000 1 A 98.260 1 ATOM 649 C CA . GLY 81 81 ? A -12.721 -10.465 6.376 1.000 1 A 98.260 1 ATOM 650 C C . GLY 81 81 ? A -12.684 -10.133 7.866 1.000 1 A 98.260 1 ATOM 651 O O . GLY 81 81 ? A -12.767 -11.020 8.716 1.000 1 A 98.260 1 ATOM 652 N N . ALA 82 82 ? A -12.607 -8.844 8.200 1.000 1 A 98.290 1 ATOM 653 C CA . ALA 82 82 ? A -12.700 -8.362 9.581 1.000 1 A 98.290 1 ATOM 654 C C . ALA 82 82 ? A -13.733 -7.222 9.710 1.000 1 A 98.290 1 ATOM 655 C CB . ALA 82 82 ? A -11.293 -7.987 10.070 1.000 1 A 98.290 1 ATOM 656 O O . ALA 82 82 ? A -13.348 -6.061 9.859 1.000 1 A 98.290 1 ATOM 657 N N . PRO 83 83 ? A -15.051 -7.516 9.666 1.000 1 A 97.970 1 ATOM 658 C CA . PRO 83 83 ? A -16.094 -6.484 9.649 1.000 1 A 97.970 1 ATOM 659 C C . PRO 83 83 ? A -16.037 -5.512 10.836 1.000 1 A 97.970 1 ATOM 660 C CB . PRO 83 83 ? A -17.424 -7.245 9.619 1.000 1 A 97.970 1 ATOM 661 O O . PRO 83 83 ? A -16.266 -4.317 10.665 1.000 1 A 97.970 1 ATOM 662 C CG . PRO 83 83 ? A -17.058 -8.575 8.965 1.000 1 A 97.970 1 ATOM 663 C CD . PRO 83 83 ? A -15.646 -8.834 9.476 1.000 1 A 97.970 1 ATOM 664 N N . GLU 84 84 ? A -15.678 -5.989 12.031 1.000 1 A 98.030 1 ATOM 665 C CA . GLU 84 84 ? A -15.540 -5.122 13.210 1.000 1 A 98.030 1 ATOM 666 C C . GLU 84 84 ? A -14.335 -4.175 13.101 1.000 1 A 98.030 1 ATOM 667 C CB . GLU 84 84 ? A -15.471 -5.972 14.492 1.000 1 A 98.030 1 ATOM 668 O O . GLU 84 84 ? A -14.433 -3.004 13.469 1.000 1 A 98.030 1 ATOM 669 C CG . GLU 84 84 ? A -16.714 -6.857 14.712 1.000 1 A 98.030 1 ATOM 670 C CD . GLU 84 84 ? A -18.038 -6.079 14.582 1.000 1 A 98.030 1 ATOM 671 O OE1 . GLU 84 84 ? A -18.958 -6.540 13.867 1.000 1 A 98.030 1 ATOM 672 O OE2 . GLU 84 84 ? A -18.145 -4.949 15.099 1.000 1 A 98.030 1 ATOM 673 N N . LEU 85 85 ? A -13.225 -4.629 12.506 1.000 1 A 98.610 1 ATOM 674 C CA . LEU 85 85 ? A -12.096 -3.751 12.188 1.000 1 A 98.610 1 ATOM 675 C C . LEU 85 85 ? A -12.487 -2.713 11.131 1.000 1 A 98.610 1 ATOM 676 C CB . LEU 85 85 ? A -10.897 -4.590 11.719 1.000 1 A 98.610 1 ATOM 677 O O . LEU 85 85 ? A -12.124 -1.548 11.254 1.000 1 A 98.610 1 ATOM 678 C CG . LEU 85 85 ? A -9.670 -3.752 11.310 1.000 1 A 98.610 1 ATOM 679 C CD1 . LEU 85 85 ? A -9.150 -2.890 12.459 1.000 1 A 98.610 1 ATOM 680 C CD2 . LEU 85 85 ? A -8.568 -4.697 10.853 1.000 1 A 98.610 1 ATOM 681 N N . ALA 86 86 ? A -13.257 -3.102 10.116 1.000 1 A 98.460 1 ATOM 682 C CA . ALA 86 86 ? A -13.719 -2.178 9.085 1.000 1 A 98.460 1 ATOM 683 C C . ALA 86 86 ? A -14.627 -1.073 9.653 1.000 1 A 98.460 1 ATOM 684 C CB . ALA 86 86 ? A -14.407 -2.996 7.997 1.000 1 A 98.460 1 ATOM 685 O O . ALA 86 86 ? A -14.430 0.107 9.351 1.000 1 A 98.460 1 ATOM 686 N N . LYS 87 87 ? A -15.557 -1.423 10.553 1.000 1 A 98.150 1 ATOM 687 C CA . LYS 87 87 ? A -16.351 -0.437 11.310 1.000 1 A 98.150 1 ATOM 688 C C . LYS 87 87 ? A -15.451 0.488 12.127 1.000 1 A 98.150 1 ATOM 689 C CB . LYS 87 87 ? A -17.328 -1.145 12.250 1.000 1 A 98.150 1 ATOM 690 O O . LYS 87 87 ? A -15.627 1.704 12.089 1.000 1 A 98.150 1 ATOM 691 C CG . LYS 87 87 ? A -18.466 -1.862 11.512 1.000 1 A 98.150 1 ATOM 692 C CD . LYS 87 87 ? A -19.233 -2.691 12.544 1.000 1 A 98.150 1 ATOM 693 C CE . LYS 87 87 ? A -20.252 -3.628 11.903 1.000 1 A 98.150 1 ATOM 694 N NZ . LYS 87 87 ? A -20.693 -4.622 12.912 1.000 1 A 98.150 1 ATOM 695 N N . ARG 88 88 ? A -14.436 -0.068 12.796 1.000 1 A 98.470 1 ATOM 696 C CA . ARG 88 88 ? A -13.466 0.712 13.572 1.000 1 A 98.470 1 ATOM 697 C C . ARG 88 88 ? A -12.672 1.698 12.709 1.000 1 A 98.470 1 ATOM 698 C CB . ARG 88 88 ? A -12.547 -0.258 14.335 1.000 1 A 98.470 1 ATOM 699 O O . ARG 88 88 ? A -12.515 2.855 13.093 1.000 1 A 98.470 1 ATOM 700 C CG . ARG 88 88 ? A -11.530 0.450 15.231 1.000 1 A 98.470 1 ATOM 701 C CD . ARG 88 88 ? A -12.254 1.341 16.235 1.000 1 A 98.470 1 ATOM 702 N NE . ARG 88 88 ? A -11.319 1.957 17.173 1.000 1 A 98.470 1 ATOM 703 N NH1 . ARG 88 88 ? A -12.871 3.414 18.038 1.000 1 A 98.470 1 ATOM 704 N NH2 . ARG 88 88 ? A -10.756 3.358 18.837 1.000 1 A 98.470 1 ATOM 705 C CZ . ARG 88 88 ? A -11.657 2.914 18.007 1.000 1 A 98.470 1 ATOM 706 N N . VAL 89 89 ? A -12.210 1.272 11.534 1.000 1 A 98.770 1 ATOM 707 C CA . VAL 89 89 ? A -11.553 2.139 10.540 1.000 1 A 98.770 1 ATOM 708 C C . VAL 89 89 ? A -12.477 3.290 10.151 1.000 1 A 98.770 1 ATOM 709 C CB . VAL 89 89 ? A -11.133 1.317 9.302 1.000 1 A 98.770 1 ATOM 710 O O . VAL 89 89 ? A -12.073 4.452 10.195 1.000 1 A 98.770 1 ATOM 711 C CG1 . VAL 89 89 ? A -10.797 2.175 8.075 1.000 1 A 98.770 1 ATOM 712 C CG2 . VAL 89 89 ? A -9.900 0.470 9.631 1.000 1 A 98.770 1 ATOM 713 N N . LYS 90 90 ? A -13.742 2.993 9.842 1.000 1 A 98.720 1 ATOM 714 C CA . LYS 90 90 ? A -14.739 4.018 9.527 1.000 1 A 98.720 1 ATOM 715 C C . LYS 90 90 ? A -14.932 5.021 10.663 1.000 1 A 98.720 1 ATOM 716 C CB . LYS 90 90 ? A -16.035 3.323 9.104 1.000 1 A 98.720 1 ATOM 717 O O . LYS 90 90 ? A -14.915 6.221 10.402 1.000 1 A 98.720 1 ATOM 718 C CG . LYS 90 90 ? A -17.245 4.264 9.112 1.000 1 A 98.720 1 ATOM 719 C CD . LYS 90 90 ? A -18.395 3.554 8.417 1.000 1 A 98.720 1 ATOM 720 C CE . LYS 90 90 ? A -19.692 4.357 8.446 1.000 1 A 98.720 1 ATOM 721 N NZ . LYS 90 90 ? A -20.783 3.517 7.907 1.000 1 A 98.720 1 ATOM 722 N N . GLU 91 91 ? A -15.081 4.567 11.905 1.000 1 A 98.640 1 ATOM 723 C CA . GLU 91 91 ? A -15.209 5.452 13.071 1.000 1 A 98.640 1 ATOM 724 C C . GLU 91 91 ? A -14.019 6.406 13.214 1.000 1 A 98.640 1 ATOM 725 C CB . GLU 91 91 ? A -15.281 4.627 14.357 1.000 1 A 98.640 1 ATOM 726 O O . GLU 91 91 ? A -14.205 7.605 13.436 1.000 1 A 98.640 1 ATOM 727 C CG . GLU 91 91 ? A -16.597 3.874 14.555 1.000 1 A 98.640 1 ATOM 728 C CD . GLU 91 91 ? A -16.526 2.937 15.772 1.000 1 A 98.640 1 ATOM 729 O OE1 . GLU 91 91 ? A -17.568 2.304 16.040 1.000 1 A 98.640 1 ATOM 730 O OE2 . GLU 91 91 ? A -15.453 2.880 16.440 1.000 1 A 98.640 1 ATOM 731 N N . LEU 92 92 ? A -12.796 5.889 13.067 1.000 1 A 98.760 1 ATOM 732 C CA . LEU 92 92 ? A -11.571 6.682 13.164 1.000 1 A 98.760 1 ATOM 733 C C . LEU 92 92 ? A -11.500 7.752 12.071 1.000 1 A 98.760 1 ATOM 734 C CB . LEU 92 92 ? A -10.356 5.744 13.086 1.000 1 A 98.760 1 ATOM 735 O O . LEU 92 92 ? A -11.185 8.909 12.357 1.000 1 A 98.760 1 ATOM 736 C CG . LEU 92 92 ? A -10.127 4.891 14.345 1.000 1 A 98.760 1 ATOM 737 C CD1 . LEU 92 92 ? A -9.026 3.872 14.069 1.000 1 A 98.760 1 ATOM 738 C CD2 . LEU 92 92 ? A -9.705 5.734 15.552 1.000 1 A 98.760 1 ATOM 739 N N . LEU 93 93 ? A -11.862 7.397 10.839 1.000 1 A 98.790 1 ATOM 740 C CA . LEU 93 93 ? A -11.914 8.337 9.722 1.000 1 A 98.790 1 ATOM 741 C C . LEU 93 93 ? A -12.989 9.416 9.936 1.000 1 A 98.790 1 ATOM 742 C CB . LEU 93 93 ? A -12.141 7.543 8.425 1.000 1 A 98.790 1 ATOM 743 O O . LEU 93 93 ? A -12.711 10.607 9.783 1.000 1 A 98.790 1 ATOM 744 C CG . LEU 93 93 ? A -10.961 6.657 7.987 1.000 1 A 98.790 1 ATOM 745 C CD1 . LEU 93 93 ? A -11.371 5.836 6.765 1.000 1 A 98.790 1 ATOM 746 C CD2 . LEU 93 93 ? A -9.731 7.479 7.620 1.000 1 A 98.790 1 ATOM 747 N N . LEU 94 94 ? A -14.196 9.044 10.368 1.000 1 A 98.660 1 ATOM 748 C CA . LEU 94 94 ? A -15.238 10.023 10.697 1.000 1 A 98.660 1 ATOM 749 C C . LEU 94 94 ? A -14.770 10.982 11.806 1.000 1 A 98.660 1 ATOM 750 C CB . LEU 94 94 ? A -16.531 9.292 11.099 1.000 1 A 98.660 1 ATOM 751 O O . LEU 94 94 ? A -14.908 12.200 11.675 1.000 1 A 98.660 1 ATOM 752 C CG . LEU 94 94 ? A -17.237 8.531 9.959 1.000 1 A 98.660 1 ATOM 753 C CD1 . LEU 94 94 ? A -18.419 7.748 10.531 1.000 1 A 98.660 1 ATOM 754 C CD2 . LEU 94 94 ? A -17.767 9.449 8.859 1.000 1 A 98.660 1 ATOM 755 N N . LYS 95 95 ? A -14.127 10.457 12.858 1.000 1 A 98.530 1 ATOM 756 C CA . LYS 95 95 ? A -13.557 11.255 13.957 1.000 1 A 98.530 1 ATOM 757 C C . LYS 95 95 ? A -12.435 12.193 13.496 1.000 1 A 98.530 1 ATOM 758 C CB . LYS 95 95 ? A -13.076 10.295 15.054 1.000 1 A 98.530 1 ATOM 759 O O . LYS 95 95 ? A -12.300 13.288 14.034 1.000 1 A 98.530 1 ATOM 760 C CG . LYS 95 95 ? A -12.628 11.037 16.321 1.000 1 A 98.530 1 ATOM 761 C CD . LYS 95 95 ? A -12.185 10.038 17.392 1.000 1 A 98.530 1 ATOM 762 C CE . LYS 95 95 ? A -11.733 10.791 18.646 1.000 1 A 98.530 1 ATOM 763 N NZ . LYS 95 95 ? A -11.309 9.848 19.710 1.000 1 A 98.530 1 ATOM 764 N N . ALA 96 96 ? A -11.660 11.800 12.487 1.000 1 A 97.980 1 ATOM 765 C CA . ALA 96 96 ? A -10.635 12.638 11.861 1.000 1 A 97.980 1 ATOM 766 C C . ALA 96 96 ? A -11.212 13.709 10.904 1.000 1 A 97.980 1 ATOM 767 C CB . ALA 96 96 ? A -9.619 11.717 11.180 1.000 1 A 97.980 1 ATOM 768 O O . ALA 96 96 ? A -10.467 14.485 10.293 1.000 1 A 97.980 1 ATOM 769 N N . GLY 97 97 ? A -12.540 13.785 10.768 1.000 1 A 98.110 1 ATOM 770 C CA . GLY 97 97 ? A -13.237 14.812 9.996 1.000 1 A 98.110 1 ATOM 771 C C . GLY 97 97 ? A -13.459 14.461 8.525 1.000 1 A 98.110 1 ATOM 772 O O . GLY 97 97 ? A -13.741 15.360 7.729 1.000 1 A 98.110 1 ATOM 773 N N . PHE 98 98 ? A -13.334 13.189 8.133 1.000 1 A 98.230 1 ATOM 774 C CA . PHE 98 98 ? A -13.842 12.734 6.837 1.000 1 A 98.230 1 ATOM 775 C C . PHE 98 98 ? A -15.374 12.692 6.905 1.000 1 A 98.230 1 ATOM 776 C CB . PHE 98 98 ? A -13.232 11.377 6.455 1.000 1 A 98.230 1 ATOM 777 O O . PHE 98 98 ? A -15.941 12.030 7.765 1.000 1 A 98.230 1 ATOM 778 C CG . PHE 98 98 ? A -11.739 11.440 6.171 1.000 1 A 98.230 1 ATOM 779 C CD1 . PHE 98 98 ? A -11.279 11.723 4.871 1.000 1 A 98.230 1 ATOM 780 C CD2 . PHE 98 98 ? A -10.797 11.236 7.199 1.000 1 A 98.230 1 ATOM 781 C CE1 . PHE 98 98 ? A -9.898 11.807 4.622 1.000 1 A 98.230 1 ATOM 782 C CE2 . PHE 98 98 ? A -9.419 11.315 6.947 1.000 1 A 98.230 1 ATOM 783 C CZ . PHE 98 98 ? A -8.970 11.609 5.653 1.000 1 A 98.230 1 ATOM 784 N N . LYS 99 99 ? A -16.063 13.425 6.021 1.000 1 A 97.130 1 ATOM 785 C CA . LYS 99 99 ? A -17.531 13.587 6.092 1.000 1 A 97.130 1 ATOM 786 C C . LYS 99 99 ? A -18.303 12.303 5.790 1.000 1 A 97.130 1 ATOM 787 C CB . LYS 99 99 ? A -18.000 14.676 5.118 1.000 1 A 97.130 1 ATOM 788 O O . LYS 99 99 ? A -19.423 12.128 6.259 1.000 1 A 97.130 1 ATOM 789 C CG . LYS 99 99 ? A -17.491 16.073 5.490 1.000 1 A 97.130 1 ATOM 790 C CD . LYS 99 99 ? A -18.114 17.120 4.557 1.000 1 A 97.130 1 ATOM 791 C CE . LYS 99 99 ? A -17.619 18.521 4.931 1.000 1 A 97.130 1 ATOM 792 N NZ . LYS 99 99 ? A -18.239 19.565 4.075 1.000 1 A 97.130 1 ATOM 793 N N . THR 100 100 ? A -17.732 11.441 4.957 1.000 1 A 97.860 1 ATOM 794 C CA . THR 100 100 ? A -18.385 10.228 4.473 1.000 1 A 97.860 1 ATOM 795 C C . THR 100 100 ? A -17.351 9.129 4.357 1.000 1 A 97.860 1 ATOM 796 C CB . THR 100 100 ? A -19.061 10.458 3.113 1.000 1 A 97.860 1 ATOM 797 O O . THR 100 100 ? A -16.276 9.350 3.799 1.000 1 A 97.860 1 ATOM 798 C CG2 . THR 100 100 ? A -19.898 9.259 2.667 1.000 1 A 97.860 1 ATOM 799 O OG1 . THR 100 100 ? A -19.927 11.570 3.192 1.000 1 A 97.860 1 ATOM 800 N N . VAL 101 101 ? A -17.707 7.959 4.880 1.000 1 A 98.530 1 ATOM 801 C CA . VAL 101 101 ? A -16.951 6.722 4.718 1.000 1 A 98.530 1 ATOM 802 C C . VAL 101 101 ? A -17.942 5.614 4.383 1.000 1 A 98.530 1 ATOM 803 C CB . VAL 101 101 ? A -16.145 6.366 5.973 1.000 1 A 98.530 1 ATOM 804 O O . VAL 101 101 ? A -18.899 5.392 5.134 1.000 1 A 98.530 1 ATOM 805 C CG1 . VAL 101 101 ? A -15.281 5.121 5.732 1.000 1 A 98.530 1 ATOM 806 C CG2 . VAL 101 101 ? A -15.242 7.509 6.448 1.000 1 A 98.530 1 ATOM 807 N N . VAL 102 102 ? A -17.744 4.965 3.241 1.000 1 A 98.550 1 ATOM 808 C CA . VAL 102 102 ? A -18.638 3.922 2.727 1.000 1 A 98.550 1 ATOM 809 C C . VAL 102 102 ? A -18.176 2.555 3.220 1.000 1 A 98.550 1 ATOM 810 C CB . VAL 102 102 ? A -18.738 3.993 1.191 1.000 1 A 98.550 1 ATOM 811 O O . VAL 102 102 ? A -16.987 2.256 3.235 1.000 1 A 98.550 1 ATOM 812 C CG1 . VAL 102 102 ? A -19.540 2.835 0.586 1.000 1 A 98.550 1 ATOM 813 C CG2 . VAL 102 102 ? A -19.420 5.303 0.768 1.000 1 A 98.550 1 ATOM 814 N N . GLU 103 103 ? A -19.124 1.719 3.625 1.000 1 A 98.330 1 ATOM 815 C CA . GLU 103 103 ? A -18.886 0.297 3.867 1.000 1 A 98.330 1 ATOM 816 C C . GLU 103 103 ? A -19.300 -0.472 2.611 1.000 1 A 98.330 1 ATOM 817 C CB . GLU 103 103 ? A -19.694 -0.170 5.084 1.000 1 A 98.330 1 ATOM 818 O O . GLU 103 103 ? A -20.456 -0.387 2.193 1.000 1 A 98.330 1 ATOM 819 C CG . GLU 103 103 ? A -19.150 0.392 6.405 1.000 1 A 98.330 1 ATOM 820 C CD . GLU 103 103 ? A -20.073 0.071 7.590 1.000 1 A 98.330 1 ATOM 821 O OE1 . GLU 103 103 ? A -20.204 0.963 8.461 1.000 1 A 98.330 1 ATOM 822 O OE2 . GLU 103 103 ? A -20.720 -0.994 7.599 1.000 1 A 98.330 1 ATOM 823 N N . ASP 104 104 ? A -18.367 -1.197 2.000 1.000 1 A 97.830 1 ATOM 824 C CA . ASP 104 104 ? A -18.623 -2.014 0.815 1.000 1 A 97.830 1 ATOM 825 C C . ASP 104 104 ? A -18.674 -3.496 1.204 1.000 1 A 97.830 1 ATOM 826 C CB . ASP 104 104 ? A -17.587 -1.720 -0.278 1.000 1 A 97.830 1 ATOM 827 O O . ASP 104 104 ? A -17.716 -4.056 1.738 1.000 1 A 97.830 1 ATOM 828 C CG . ASP 104 104 ? A -18.052 -2.268 -1.631 1.000 1 A 97.830 1 ATOM 829 O OD1 . ASP 104 104 ? A -18.467 -3.450 -1.677 1.000 1 A 97.830 1 ATOM 830 O OD2 . ASP 104 104 ? A -18.027 -1.506 -2.618 1.000 1 A 97.830 1 ATOM 831 N N . ASN 105 105 ? A -19.815 -4.139 0.965 1.000 1 A 94.350 1 ATOM 832 C CA . ASN 105 105 ? A -20.025 -5.555 1.266 1.000 1 A 94.350 1 ATOM 833 C C . ASN 105 105 ? A -19.920 -6.473 0.038 1.000 1 A 94.350 1 ATOM 834 C CB . ASN 105 105 ? A -21.357 -5.715 2.017 1.000 1 A 94.350 1 ATOM 835 O O . ASN 105 105 ? A -20.110 -7.680 0.178 1.000 1 A 94.350 1 ATOM 836 C CG . ASN 105 105 ? A -22.600 -5.396 1.205 1.000 1 A 94.350 1 ATOM 837 N ND2 . ASN 105 105 ? A -23.757 -5.559 1.799 1.000 1 A 94.350 1 ATOM 838 O OD1 . ASN 105 105 ? A -22.586 -4.972 0.063 1.000 1 A 94.350 1 ATOM 839 N N . LYS 106 106 ? A -19.653 -5.923 -1.152 1.000 1 A 92.180 1 ATOM 840 C CA . LYS 106 106 ? A -19.579 -6.667 -2.420 1.000 1 A 92.180 1 ATOM 841 C C . LYS 106 106 ? A -18.157 -6.766 -2.959 1.000 1 A 92.180 1 ATOM 842 C CB . LYS 106 106 ? A -20.472 -6.002 -3.477 1.000 1 A 92.180 1 ATOM 843 O O . LYS 106 106 ? A -17.853 -7.697 -3.700 1.000 1 A 92.180 1 ATOM 844 C CG . LYS 106 106 ? A -21.939 -5.942 -3.050 1.000 1 A 92.180 1 ATOM 845 C CD . LYS 106 106 ? A -22.827 -5.450 -4.189 1.000 1 A 92.180 1 ATOM 846 C CE . LYS 106 106 ? A -24.267 -5.363 -3.683 1.000 1 A 92.180 1 ATOM 847 N NZ . LYS 106 106 ? A -25.162 -4.818 -4.731 1.000 1 A 92.180 1 ATOM 848 N N . ARG 107 107 ? A -17.302 -5.801 -2.633 1.000 1 A 95.720 1 ATOM 849 C CA . ARG 107 107 ? A -15.922 -5.727 -3.105 1.000 1 A 95.720 1 ATOM 850 C C . ARG 107 107 ? A -15.070 -6.843 -2.486 1.000 1 A 95.720 1 ATOM 851 C CB . ARG 107 107 ? A -15.401 -4.315 -2.782 1.000 1 A 95.720 1 ATOM 852 O O . ARG 107 107 ? A -14.982 -6.954 -1.269 1.000 1 A 95.720 1 ATOM 853 C CG . ARG 107 107 ? A -13.966 -4.023 -3.234 1.000 1 A 95.720 1 ATOM 854 C CD . ARG 107 107 ? A -13.830 -4.217 -4.749 1.000 1 A 95.720 1 ATOM 855 N NE . ARG 107 107 ? A -12.595 -3.636 -5.287 1.000 1 A 95.720 1 ATOM 856 N NH1 . ARG 107 107 ? A -11.155 -5.435 -5.105 1.000 1 A 95.720 1 ATOM 857 N NH2 . ARG 107 107 ? A -10.501 -3.584 -6.098 1.000 1 A 95.720 1 ATOM 858 C CZ . ARG 107 107 ? A -11.439 -4.232 -5.494 1.000 1 A 95.720 1 ATOM 859 N N . GLY 108 108 ? A -14.427 -7.639 -3.341 1.000 1 A 95.980 1 ATOM 860 C CA . GLY 108 108 ? A -13.378 -8.597 -2.968 1.000 1 A 95.980 1 ATOM 861 C C . GLY 108 108 ? A -11.985 -7.962 -2.842 1.000 1 A 95.980 1 ATOM 862 O O . GLY 108 108 ? A -11.855 -6.737 -2.828 1.000 1 A 95.980 1 ATOM 863 N N . LEU 109 109 ? A -10.932 -8.780 -2.814 1.000 1 A 97.660 1 ATOM 864 C CA . LEU 109 109 ? A -9.524 -8.358 -2.869 1.000 1 A 97.660 1 ATOM 865 C C . LEU 109 109 ? A -9.059 -8.261 -4.321 1.000 1 A 97.660 1 ATOM 866 C CB . LEU 109 109 ? A -8.635 -9.337 -2.079 1.000 1 A 97.660 1 ATOM 867 O O . LEU 109 109 ? A -9.210 -9.225 -5.055 1.000 1 A 97.660 1 ATOM 868 C CG . LEU 109 109 ? A -8.939 -9.395 -0.575 1.000 1 A 97.660 1 ATOM 869 C CD1 . LEU 109 109 ? A -8.087 -10.456 0.116 1.000 1 A 97.660 1 ATOM 870 C CD2 . LEU 109 109 ? A -8.746 -8.066 0.138 1.000 1 A 97.660 1 ATOM 871 N N . ASP 110 110 ? A -8.507 -7.125 -4.744 1.000 1 A 98.130 1 ATOM 872 C CA . ASP 110 110 ? A -7.806 -6.995 -6.040 1.000 1 A 98.130 1 ATOM 873 C C . ASP 110 110 ? A -6.346 -7.425 -5.955 1.000 1 A 98.130 1 ATOM 874 C CB . ASP 110 110 ? A -7.848 -5.556 -6.531 1.000 1 A 98.130 1 ATOM 875 O O . ASP 110 110 ? A -5.844 -7.676 -4.859 1.000 1 A 98.130 1 ATOM 876 C CG . ASP 110 110 ? A -7.331 -4.618 -5.456 1.000 1 A 98.130 1 ATOM 877 O OD1 . ASP 110 110 ? A -6.100 -4.519 -5.278 1.000 1 A 98.130 1 ATOM 878 O OD2 . ASP 110 110 ? A -8.221 -4.075 -4.765 1.000 1 A 98.130 1 ATOM 879 N N . HIS 111 111 ? A -5.664 -7.495 -7.100 1.000 1 A 97.520 1 ATOM 880 C CA . HIS 111 111 ? A -4.299 -8.007 -7.156 1.000 1 A 97.520 1 ATOM 881 C C . HIS 111 111 ? A -3.290 -7.177 -6.377 1.000 1 A 97.520 1 ATOM 882 C CB . HIS 111 111 ? A -3.871 -8.181 -8.605 1.000 1 A 97.520 1 ATOM 883 O O . HIS 111 111 ? A -2.365 -7.753 -5.810 1.000 1 A 97.520 1 ATOM 884 C CG . HIS 111 111 ? A -3.401 -6.919 -9.266 1.000 1 A 97.520 1 ATOM 885 C CD2 . HIS 111 111 ? A -2.107 -6.535 -9.492 1.000 1 A 97.520 1 ATOM 886 N ND1 . HIS 111 111 ? A -4.213 -6.005 -9.875 1.000 1 A 97.520 1 ATOM 887 C CE1 . HIS 111 111 ? A -3.438 -5.156 -10.546 1.000 1 A 97.520 1 ATOM 888 N NE2 . HIS 111 111 ? A -2.138 -5.416 -10.326 1.000 1 A 97.520 1 ATOM 889 N N . GLY 112 112 ? A -3.486 -5.862 -6.260 1.000 1 A 97.520 1 ATOM 890 C CA . GLY 112 112 ? A -2.635 -5.052 -5.397 1.000 1 A 97.520 1 ATOM 891 C C . GLY 112 112 ? A -2.742 -5.476 -3.933 1.000 1 A 97.520 1 ATOM 892 O O . GLY 112 112 ? A -1.754 -5.411 -3.208 1.000 1 A 97.520 1 ATOM 893 N N . ALA 113 113 ? A -3.893 -5.976 -3.486 1.000 1 A 97.990 1 ATOM 894 C CA . ALA 113 113 ? A -4.046 -6.522 -2.141 1.000 1 A 97.990 1 ATOM 895 C C . ALA 113 113 ? A -3.652 -8.004 -2.043 1.000 1 A 97.990 1 ATOM 896 C CB . ALA 113 113 ? A -5.478 -6.273 -1.669 1.000 1 A 97.990 1 ATOM 897 O O . ALA 113 113 ? A -2.869 -8.366 -1.166 1.000 1 A 97.990 1 ATOM 898 N N . TRP 114 114 ? A -4.189 -8.874 -2.904 1.000 1 A 97.880 1 ATOM 899 C CA . TRP 114 114 ? A -3.992 -10.314 -2.746 1.000 1 A 97.880 1 ATOM 900 C C . TRP 114 114 ? A -2.621 -10.799 -3.204 1.000 1 A 97.880 1 ATOM 901 C CB . TRP 114 114 ? A -5.117 -11.129 -3.387 1.000 1 A 97.880 1 ATOM 902 O O . TRP 114 114 ? A -2.137 -11.753 -2.613 1.000 1 A 97.880 1 ATOM 903 C CG . TRP 114 114 ? A -5.234 -11.106 -4.879 1.000 1 A 97.880 1 ATOM 904 C CD1 . TRP 114 114 ? A -6.232 -10.521 -5.567 1.000 1 A 97.880 1 ATOM 905 C CD2 . TRP 114 114 ? A -4.389 -11.741 -5.887 1.000 1 A 97.880 1 ATOM 906 C CE2 . TRP 114 114 ? A -4.925 -11.442 -7.175 1.000 1 A 97.880 1 ATOM 907 C CE3 . TRP 114 114 ? A -3.246 -12.570 -5.849 1.000 1 A 97.880 1 ATOM 908 N NE1 . TRP 114 114 ? A -6.070 -10.720 -6.921 1.000 1 A 97.880 1 ATOM 909 C CH2 . TRP 114 114 ? A -3.149 -12.655 -8.285 1.000 1 A 97.880 1 ATOM 910 C CZ2 . TRP 114 114 ? A -4.333 -11.905 -8.353 1.000 1 A 97.880 1 ATOM 911 C CZ3 . TRP 114 114 ? A -2.612 -12.992 -7.032 1.000 1 A 97.880 1 ATOM 912 N N . MET 115 115 ? A -1.963 -10.179 -4.190 1.000 1 A 97.390 1 ATOM 913 C CA . MET 115 115 ? A -0.679 -10.696 -4.687 1.000 1 A 97.390 1 ATOM 914 C C . MET 115 115 ? A 0.431 -10.585 -3.632 1.000 1 A 97.390 1 ATOM 915 C CB . MET 115 115 ? A -0.321 -10.093 -6.056 1.000 1 A 97.390 1 ATOM 916 O O . MET 115 115 ? A 1.037 -11.615 -3.326 1.000 1 A 97.390 1 ATOM 917 C CG . MET 115 115 ? A 0.956 -10.686 -6.667 1.000 1 A 97.390 1 ATOM 918 S SD . MET 115 115 ? A 2.527 -10.285 -5.847 1.000 1 A 97.390 1 ATOM 919 C CE . MET 115 115 ? A 2.469 -8.498 -5.965 1.000 1 A 97.390 1 ATOM 920 N N . PRO 116 116 ? A 0.672 -9.418 -2.989 1.000 1 A 97.820 1 ATOM 921 C CA . PRO 116 116 ? A 1.679 -9.349 -1.934 1.000 1 A 97.820 1 ATOM 922 C C . PRO 116 116 ? A 1.350 -10.314 -0.795 1.000 1 A 97.820 1 ATOM 923 C CB . PRO 116 116 ? A 1.687 -7.894 -1.449 1.000 1 A 97.820 1 ATOM 924 O O . PRO 116 116 ? A 2.226 -11.013 -0.298 1.000 1 A 97.820 1 ATOM 925 C CG . PRO 116 116 ? A 1.117 -7.121 -2.632 1.000 1 A 97.820 1 ATOM 926 C CD . PRO 116 116 ? A 0.088 -8.098 -3.198 1.000 1 A 97.820 1 ATOM 927 N N . LEU 117 117 ? A 0.072 -10.402 -0.412 1.000 1 A 98.310 1 ATOM 928 C CA . LEU 117 117 ? A -0.368 -11.259 0.685 1.000 1 A 98.310 1 ATOM 929 C C . LEU 117 117 ? A -0.268 -12.752 0.362 1.000 1 A 98.310 1 ATOM 930 C CB . LEU 117 117 ? A -1.793 -10.873 1.096 1.000 1 A 98.310 1 ATOM 931 O O . LEU 117 117 ? A 0.094 -13.514 1.248 1.000 1 A 98.310 1 ATOM 932 C CG . LEU 117 117 ? A -1.917 -9.474 1.719 1.000 1 A 98.310 1 ATOM 933 C CD1 . LEU 117 117 ? A -3.387 -9.194 2.029 1.000 1 A 98.310 1 ATOM 934 C CD2 . LEU 117 117 ? A -1.136 -9.353 3.031 1.000 1 A 98.310 1 ATOM 935 N N . LEU 118 118 ? A -0.502 -13.162 -0.884 1.000 1 A 98.020 1 ATOM 936 C CA . LEU 118 118 ? A -0.306 -14.536 -1.343 1.000 1 A 98.020 1 ATOM 937 C C . LEU 118 118 ? A 1.144 -14.988 -1.133 1.000 1 A 98.020 1 ATOM 938 C CB . LEU 118 118 ? A -0.714 -14.618 -2.827 1.000 1 A 98.020 1 ATOM 939 O O . LEU 118 118 ? A 1.379 -16.128 -0.748 1.000 1 A 98.020 1 ATOM 940 C CG . LEU 118 118 ? A -0.499 -15.992 -3.486 1.000 1 A 98.020 1 ATOM 941 C CD1 . LEU 118 118 ? A -1.439 -17.053 -2.913 1.000 1 A 98.020 1 ATOM 942 C CD2 . LEU 118 118 ? A -0.749 -15.883 -4.990 1.000 1 A 98.020 1 ATOM 943 N N . LEU 119 119 ? A 2.115 -14.100 -1.362 1.000 1 A 97.660 1 ATOM 944 C CA . LEU 119 119 ? A 3.532 -14.408 -1.165 1.000 1 A 97.660 1 ATOM 945 C C . LEU 119 119 ? A 3.980 -14.260 0.299 1.000 1 A 97.660 1 ATOM 946 C CB . LEU 119 119 ? A 4.364 -13.527 -2.108 1.000 1 A 97.660 1 ATOM 947 O O . LEU 119 119 ? A 4.820 -15.033 0.751 1.000 1 A 97.660 1 ATOM 948 C CG . LEU 119 119 ? A 4.183 -13.794 -3.614 1.000 1 A 97.660 1 ATOM 949 C CD1 . LEU 119 119 ? A 5.099 -12.854 -4.399 1.000 1 A 97.660 1 ATOM 950 C CD2 . LEU 119 119 ? A 4.541 -15.231 -4.002 1.000 1 A 97.660 1 ATOM 951 N N . MET 120 120 ? A 3.430 -13.293 1.044 1.000 1 A 97.750 1 ATOM 952 C CA . MET 120 120 ? A 3.773 -13.062 2.456 1.000 1 A 97.750 1 ATOM 953 C C . MET 120 120 ? A 3.125 -14.072 3.420 1.000 1 A 97.750 1 ATOM 954 C CB . MET 120 120 ? A 3.327 -11.654 2.880 1.000 1 A 97.750 1 ATOM 955 O O . MET 120 120 ? A 3.730 -14.422 4.432 1.000 1 A 97.750 1 ATOM 956 C CG . MET 120 120 ? A 4.064 -10.485 2.222 1.000 1 A 97.750 1 ATOM 957 S SD . MET 120 120 ? A 3.398 -8.892 2.788 1.000 1 A 97.750 1 ATOM 958 C CE . MET 120 120 ? A 4.390 -7.732 1.825 1.000 1 A 97.750 1 ATOM 959 N N . TYR 121 121 ? A 1.883 -14.481 3.139 1.000 1 A 97.800 1 ATOM 960 C CA . TYR 121 121 ? A 1.001 -15.287 3.994 1.000 1 A 97.800 1 ATOM 961 C C . TYR 121 121 ? A 0.150 -16.258 3.144 1.000 1 A 97.800 1 ATOM 962 C CB . TYR 121 121 ? A 0.099 -14.361 4.826 1.000 1 A 97.800 1 ATOM 963 O O . TYR 121 121 ? A -1.072 -16.098 3.047 1.000 1 A 97.800 1 ATOM 964 C CG . TYR 121 121 ? A 0.825 -13.369 5.709 1.000 1 A 97.800 1 ATOM 965 C CD1 . TYR 121 121 ? A 1.568 -13.821 6.816 1.000 1 A 97.800 1 ATOM 966 C CD2 . TYR 121 121 ? A 0.748 -11.993 5.423 1.000 1 A 97.800 1 ATOM 967 C CE1 . TYR 121 121 ? A 2.203 -12.892 7.663 1.000 1 A 97.800 1 ATOM 968 C CE2 . TYR 121 121 ? A 1.390 -11.062 6.257 1.000 1 A 97.800 1 ATOM 969 O OH . TYR 121 121 ? A 2.695 -10.610 8.207 1.000 1 A 97.800 1 ATOM 970 C CZ . TYR 121 121 ? A 2.106 -11.514 7.386 1.000 1 A 97.800 1 ATOM 971 N N . PRO 122 122 ? A 0.772 -17.260 2.502 1.000 1 A 96.910 1 ATOM 972 C CA . PRO 122 122 ? A 0.126 -18.109 1.496 1.000 1 A 96.910 1 ATOM 973 C C . PRO 122 122 ? A -1.081 -18.908 2.009 1.000 1 A 96.910 1 ATOM 974 C CB . PRO 122 122 ? A 1.235 -19.039 0.990 1.000 1 A 96.910 1 ATOM 975 O O . PRO 122 122 ? A -1.940 -19.298 1.222 1.000 1 A 96.910 1 ATOM 976 C CG . PRO 122 122 ? A 2.251 -19.070 2.130 1.000 1 A 96.910 1 ATOM 977 C CD . PRO 122 122 ? A 2.156 -17.662 2.705 1.000 1 A 96.910 1 ATOM 978 N N . GLU 123 123 ? A -1.188 -19.133 3.318 1.000 1 A 97.340 1 ATOM 979 C CA . GLU 123 123 ? A -2.289 -19.866 3.946 1.000 1 A 97.340 1 ATOM 980 C C . GLU 123 123 ? A -3.623 -19.100 3.929 1.000 1 A 97.340 1 ATOM 981 C CB . GLU 123 123 ? A -1.915 -20.234 5.394 1.000 1 A 97.340 1 ATOM 982 O O . GLU 123 123 ? A -4.667 -19.692 4.211 1.000 1 A 97.340 1 ATOM 983 C CG . GLU 123 123 ? A -0.689 -21.156 5.524 1.000 1 A 97.340 1 ATOM 984 C CD . GLU 123 123 ? A 0.678 -20.469 5.342 1.000 1 A 97.340 1 ATOM 985 O OE1 . GLU 123 123 ? A 1.679 -21.216 5.274 1.000 1 A 97.340 1 ATOM 986 O OE2 . GLU 123 123 ? A 0.734 -19.216 5.283 1.000 1 A 97.340 1 ATOM 987 N N . ALA 124 124 ? A -3.608 -17.799 3.604 1.000 1 A 97.620 1 ATOM 988 C CA . ALA 124 124 ? A -4.792 -16.940 3.536 1.000 1 A 97.620 1 ATOM 989 C C . ALA 124 124 ? A -5.665 -16.990 4.808 1.000 1 A 97.620 1 ATOM 990 C CB . ALA 124 124 ? A -5.565 -17.230 2.240 1.000 1 A 97.620 1 ATOM 991 O O . ALA 124 124 ? A -6.892 -16.907 4.753 1.000 1 A 97.620 1 ATOM 992 N N . ASP 125 125 ? A -5.040 -17.135 5.974 1.000 1 A 97.510 1 ATOM 993 C CA . ASP 125 125 ? A -5.702 -17.349 7.263 1.000 1 A 97.510 1 ATOM 994 C C . ASP 125 125 ? A -5.648 -16.116 8.189 1.000 1 A 97.510 1 ATOM 995 C CB . ASP 125 125 ? A -5.122 -18.624 7.897 1.000 1 A 97.510 1 ATOM 996 O O . ASP 125 125 ? A -6.260 -16.105 9.259 1.000 1 A 97.510 1 ATOM 997 C CG . ASP 125 125 ? A -3.656 -18.487 8.309 1.000 1 A 97.510 1 ATOM 998 O OD1 . ASP 125 125 ? A -2.951 -17.588 7.786 1.000 1 A 97.510 1 ATOM 999 O OD2 . ASP 125 125 ? A -3.261 -19.129 9.303 1.000 1 A 97.510 1 ATOM 1000 N N . ILE 126 126 ? A -4.965 -15.046 7.767 1.000 1 A 98.460 1 ATOM 1001 C CA . ILE 126 126 ? A -5.023 -13.724 8.407 1.000 1 A 98.460 1 ATOM 1002 C C . ILE 126 126 ? A -6.218 -12.952 7.838 1.000 1 A 98.460 1 ATOM 1003 C CB . ILE 126 126 ? A -3.715 -12.923 8.219 1.000 1 A 98.460 1 ATOM 1004 O O . ILE 126 126 ? A -6.312 -12.818 6.618 1.000 1 A 98.460 1 ATOM 1005 C CG1 . ILE 126 126 ? A -2.525 -13.727 8.767 1.000 1 A 98.460 1 ATOM 1006 C CG2 . ILE 126 126 ? A -3.811 -11.568 8.947 1.000 1 A 98.460 1 ATOM 1007 C CD1 . ILE 126 126 ? A -1.159 -13.063 8.625 1.000 1 A 98.460 1 ATOM 1008 N N . PRO 127 127 ? A -7.114 -12.394 8.673 1.000 1 A 98.720 1 ATOM 1009 C CA . PRO 127 127 ? A -8.200 -11.557 8.183 1.000 1 A 98.720 1 ATOM 1010 C C . PRO 127 127 ? A -7.698 -10.320 7.426 1.000 1 A 98.720 1 ATOM 1011 C CB . PRO 127 127 ? A -9.029 -11.180 9.411 1.000 1 A 98.720 1 ATOM 1012 O O . PRO 127 127 ? A -6.761 -9.660 7.869 1.000 1 A 98.720 1 ATOM 1013 C CG . PRO 127 127 ? A -8.716 -12.287 10.415 1.000 1 A 98.720 1 ATOM 1014 C CD . PRO 127 127 ? A -7.268 -12.646 10.096 1.000 1 A 98.720 1 ATOM 1015 N N . VAL 128 128 ? A -8.346 -9.964 6.318 1.000 1 A 98.800 1 ATOM 1016 C CA . VAL 128 128 ? A -7.983 -8.816 5.475 1.000 1 A 98.800 1 ATOM 1017 C C . VAL 128 128 ? A -9.203 -7.937 5.237 1.000 1 A 98.800 1 ATOM 1018 C CB . VAL 128 128 ? A -7.372 -9.253 4.127 1.000 1 A 98.800 1 ATOM 1019 O O . VAL 128 128 ? A -10.281 -8.428 4.897 1.000 1 A 98.800 1 ATOM 1020 C CG1 . VAL 128 128 ? A -6.834 -8.051 3.335 1.000 1 A 98.800 1 ATOM 1021 C CG2 . VAL 128 128 ? A -6.208 -10.232 4.303 1.000 1 A 98.800 1 ATOM 1022 N N . ILE 129 129 ? A -9.017 -6.628 5.371 1.000 1 A 98.760 1 ATOM 1023 C CA . ILE 129 129 ? A -9.929 -5.617 4.834 1.000 1 A 98.760 1 ATOM 1024 C C . ILE 129 129 ? A -9.161 -4.724 3.866 1.000 1 A 98.760 1 ATOM 1025 C CB . ILE 129 129 ? A -10.623 -4.799 5.947 1.000 1 A 98.760 1 ATOM 1026 O O . ILE 129 129 ? A -7.961 -4.511 4.045 1.000 1 A 98.760 1 ATOM 1027 C CG1 . ILE 129 129 ? A -9.626 -3.968 6.788 1.000 1 A 98.760 1 ATOM 1028 C CG2 . ILE 129 129 ? A -11.457 -5.751 6.824 1.000 1 A 98.760 1 ATOM 1029 C CD1 . ILE 129 129 ? A -10.306 -2.932 7.685 1.000 1 A 98.760 1 ATOM 1030 N N . GLN 130 130 ? A -9.848 -4.170 2.873 1.000 1 A 98.610 1 ATOM 1031 C CA . GLN 130 130 ? A -9.297 -3.097 2.060 1.000 1 A 98.610 1 ATOM 1032 C C . GLN 130 130 ? A -9.776 -1.729 2.528 1.000 1 A 98.610 1 ATOM 1033 C CB . GLN 130 130 ? A -9.583 -3.279 0.573 1.000 1 A 98.610 1 ATOM 1034 O O . GLN 130 130 ? A -10.888 -1.593 3.045 1.000 1 A 98.610 1 ATOM 1035 C CG . GLN 130 130 ? A -9.076 -4.608 0.021 1.000 1 A 98.610 1 ATOM 1036 C CD . GLN 130 130 ? A -8.736 -4.449 -1.447 1.000 1 A 98.610 1 ATOM 1037 N NE2 . GLN 130 130 ? A -9.503 -4.951 -2.381 1.000 1 A 98.610 1 ATOM 1038 O OE1 . GLN 130 130 ? A -7.780 -3.787 -1.792 1.000 1 A 98.610 1 ATOM 1039 N N . LEU 131 131 ? A -8.959 -0.713 2.261 1.000 1 A 98.810 1 ATOM 1040 C CA . LEU 131 131 ? A -9.320 0.698 2.320 1.000 1 A 98.810 1 ATOM 1041 C C . LEU 131 131 ? A -8.944 1.370 0.996 1.000 1 A 98.810 1 ATOM 1042 C CB . LEU 131 131 ? A -8.622 1.324 3.532 1.000 1 A 98.810 1 ATOM 1043 O O . LEU 131 131 ? A -7.801 1.281 0.553 1.000 1 A 98.810 1 ATOM 1044 C CG . LEU 131 131 ? A -8.832 2.836 3.716 1.000 1 A 98.810 1 ATOM 1045 C CD1 . LEU 131 131 ? A -10.300 3.234 3.871 1.000 1 A 98.810 1 ATOM 1046 C CD2 . LEU 131 131 ? A -8.111 3.237 4.997 1.000 1 A 98.810 1 ATOM 1047 N N . SER 132 132 ? A -9.911 2.031 0.363 1.000 1 A 98.720 1 ATOM 1048 C CA . SER 132 132 ? A -9.735 2.639 -0.958 1.000 1 A 98.720 1 ATOM 1049 C C . SER 132 132 ? A -8.862 3.896 -0.937 1.000 1 A 98.720 1 ATOM 1050 C CB . SER 132 132 ? A -11.101 2.984 -1.552 1.000 1 A 98.720 1 ATOM 1051 O O . SER 132 132 ? A -8.894 4.676 0.022 1.000 1 A 98.720 1 ATOM 1052 O OG . SER 132 132 ? A -11.742 3.971 -0.762 1.000 1 A 98.720 1 ATOM 1053 N N . VAL 133 133 ? A -8.208 4.181 -2.060 1.000 1 A 98.560 1 ATOM 1054 C CA . VAL 133 133 ? A -7.571 5.474 -2.360 1.000 1 A 98.560 1 ATOM 1055 C C . VAL 133 133 ? A -8.551 6.423 -3.063 1.000 1 A 98.560 1 ATOM 1056 C CB . VAL 133 133 ? A -6.269 5.288 -3.161 1.000 1 A 98.560 1 ATOM 1057 O O . VAL 133 133 ? A -9.644 6.015 -3.459 1.000 1 A 98.560 1 ATOM 1058 C CG1 . VAL 133 133 ? A -5.272 4.433 -2.371 1.000 1 A 98.560 1 ATOM 1059 C CG2 . VAL 133 133 ? A -6.482 4.659 -4.541 1.000 1 A 98.560 1 ATOM 1060 N N . GLN 134 134 ? A -8.218 7.715 -3.127 1.000 1 A 98.120 1 ATOM 1061 C CA . GLN 134 134 ? A -9.025 8.737 -3.801 1.000 1 A 98.120 1 ATOM 1062 C C . GLN 134 134 ? A -8.126 9.539 -4.751 1.000 1 A 98.120 1 ATOM 1063 C CB . GLN 134 134 ? A -9.713 9.666 -2.772 1.000 1 A 98.120 1 ATOM 1064 O O . GLN 134 134 ? A -7.681 10.630 -4.399 1.000 1 A 98.120 1 ATOM 1065 C CG . GLN 134 134 ? A -10.845 9.057 -1.927 1.000 1 A 98.120 1 ATOM 1066 C CD . GLN 134 134 ? A -10.367 8.145 -0.811 1.000 1 A 98.120 1 ATOM 1067 N NE2 . GLN 134 134 ? A -10.537 6.850 -0.923 1.000 1 A 98.120 1 ATOM 1068 O OE1 . GLN 134 134 ? A -9.857 8.603 0.198 1.000 1 A 98.120 1 ATOM 1069 N N . SER 135 135 ? A -7.855 9.041 -5.960 1.000 1 A 94.470 1 ATOM 1070 C CA . SER 135 135 ? A -6.865 9.633 -6.888 1.000 1 A 94.470 1 ATOM 1071 C C . SER 135 135 ? A -7.152 11.097 -7.263 1.000 1 A 94.470 1 ATOM 1072 C CB . SER 135 135 ? A -6.783 8.806 -8.173 1.000 1 A 94.470 1 ATOM 1073 O O . SER 135 135 ? A -6.240 11.869 -7.560 1.000 1 A 94.470 1 ATOM 1074 O OG . SER 135 135 ? A -7.958 8.997 -8.929 1.000 1 A 94.470 1 ATOM 1075 N N . SER 136 136 ? A -8.422 11.508 -7.176 1.000 1 A 95.580 1 ATOM 1076 C CA . SER 136 136 ? A -8.873 12.898 -7.347 1.000 1 A 95.580 1 ATOM 1077 C C . SER 136 136 ? A -8.452 13.856 -6.218 1.000 1 A 95.580 1 ATOM 1078 C CB . SER 136 136 ? A -10.396 12.933 -7.514 1.000 1 A 95.580 1 ATOM 1079 O O . SER 136 136 ? A -8.710 15.060 -6.307 1.000 1 A 95.580 1 ATOM 1080 O OG . SER 136 136 ? A -11.063 12.542 -6.323 1.000 1 A 95.580 1 ATOM 1081 N N . LYS 137 137 ? A -7.850 13.345 -5.138 1.000 1 A 97.470 1 ATOM 1082 C CA . LYS 137 137 ? A -7.361 14.100 -3.977 1.000 1 A 97.470 1 ATOM 1083 C C . LYS 137 137 ? A -5.835 14.152 -3.952 1.000 1 A 97.470 1 ATOM 1084 C CB . LYS 137 137 ? A -7.926 13.505 -2.673 1.000 1 A 97.470 1 ATOM 1085 O O . LYS 137 137 ? A -5.151 13.400 -4.637 1.000 1 A 97.470 1 ATOM 1086 C CG . LYS 137 137 ? A -9.457 13.430 -2.614 1.000 1 A 97.470 1 ATOM 1087 C CD . LYS 137 137 ? A -10.095 14.817 -2.707 1.000 1 A 97.470 1 ATOM 1088 C CE . LYS 137 137 ? A -11.611 14.684 -2.607 1.000 1 A 97.470 1 ATOM 1089 N NZ . LYS 137 137 ? A -12.255 15.987 -2.879 1.000 1 A 97.470 1 ATOM 1090 N N . ASP 138 138 ? A -5.306 15.077 -3.160 1.000 1 A 97.130 1 ATOM 1091 C CA . ASP 138 138 ? A -3.871 15.313 -3.039 1.000 1 A 97.130 1 ATOM 1092 C C . ASP 138 138 ? A -3.203 14.397 -2.003 1.000 1 A 97.130 1 ATOM 1093 C CB . ASP 138 138 ? A -3.626 16.807 -2.759 1.000 1 A 97.130 1 ATOM 1094 O O . ASP 138 138 ? A -3.838 13.574 -1.337 1.000 1 A 97.130 1 ATOM 1095 C CG . ASP 138 138 ? A -4.226 17.316 -1.441 1.000 1 A 97.130 1 ATOM 1096 O OD1 . ASP 138 138 ? A -4.546 16.486 -0.558 1.000 1 A 97.130 1 ATOM 1097 O OD2 . ASP 138 138 ? A -4.383 18.546 -1.333 1.000 1 A 97.130 1 ATOM 1098 N N . GLY 139 139 ? A -1.884 14.531 -1.865 1.000 1 A 97.970 1 ATOM 1099 C CA . GLY 139 139 ? A -1.136 13.742 -0.900 1.000 1 A 97.970 1 ATOM 1100 C C . GLY 139 139 ? A -1.475 14.063 0.557 1.000 1 A 97.970 1 ATOM 1101 O O . GLY 139 139 ? A -1.455 13.163 1.395 1.000 1 A 97.970 1 ATOM 1102 N N . ALA 140 140 ? A -1.864 15.305 0.861 1.000 1 A 98.360 1 ATOM 1103 C CA . ALA 140 140 ? A -2.252 15.713 2.210 1.000 1 A 98.360 1 ATOM 1104 C C . ALA 140 140 ? A -3.525 14.989 2.678 1.000 1 A 98.360 1 ATOM 1105 C CB . ALA 140 140 ? A -2.419 17.236 2.232 1.000 1 A 98.360 1 ATOM 1106 O O . ALA 140 140 ? A -3.597 14.546 3.827 1.000 1 A 98.360 1 ATOM 1107 N N . HIS 141 141 ? A -4.504 14.795 1.786 1.000 1 A 98.580 1 ATOM 1108 C CA . HIS 141 141 ? A -5.691 13.973 2.050 1.000 1 A 98.580 1 ATOM 1109 C C . HIS 141 141 ? A -5.319 12.541 2.453 1.000 1 A 98.580 1 ATOM 1110 C CB . HIS 141 141 ? A -6.590 13.985 0.805 1.000 1 A 98.580 1 ATOM 1111 O O . HIS 141 141 ? A -5.829 12.028 3.450 1.000 1 A 98.580 1 ATOM 1112 C CG . HIS 141 141 ? A -7.760 13.035 0.874 1.000 1 A 98.580 1 ATOM 1113 C CD2 . HIS 141 141 ? A -7.720 11.716 0.532 1.000 1 A 98.580 1 ATOM 1114 N ND1 . HIS 141 141 ? A -9.063 13.362 1.268 1.000 1 A 98.580 1 ATOM 1115 C CE1 . HIS 141 141 ? A -9.765 12.222 1.154 1.000 1 A 98.580 1 ATOM 1116 N NE2 . HIS 141 141 ? A -8.982 11.217 0.736 1.000 1 A 98.580 1 ATOM 1117 N N . HIS 142 142 ? A -4.405 11.910 1.716 1.000 1 A 98.720 1 ATOM 1118 C CA . HIS 142 142 ? A -4.007 10.518 1.940 1.000 1 A 98.720 1 ATOM 1119 C C . HIS 142 142 ? A -3.109 10.355 3.172 1.000 1 A 98.720 1 ATOM 1120 C CB . HIS 142 142 ? A -3.349 9.989 0.666 1.000 1 A 98.720 1 ATOM 1121 O O . HIS 142 142 ? A -3.312 9.434 3.962 1.000 1 A 98.720 1 ATOM 1122 C CG . HIS 142 142 ? A -4.336 9.904 -0.466 1.000 1 A 98.720 1 ATOM 1123 C CD2 . HIS 142 142 ? A -5.149 8.849 -0.782 1.000 1 A 98.720 1 ATOM 1124 N ND1 . HIS 142 142 ? A -4.598 10.896 -1.376 1.000 1 A 98.720 1 ATOM 1125 C CE1 . HIS 142 142 ? A -5.487 10.430 -2.258 1.000 1 A 98.720 1 ATOM 1126 N NE2 . HIS 142 142 ? A -5.878 9.188 -1.924 1.000 1 A 98.720 1 ATOM 1127 N N . TYR 143 143 ? A -2.199 11.297 3.421 1.000 1 A 98.730 1 ATOM 1128 C CA . TYR 143 143 ? A -1.436 11.333 4.666 1.000 1 A 98.730 1 ATOM 1129 C C . TYR 143 143 ? A -2.356 11.502 5.884 1.000 1 A 98.730 1 ATOM 1130 C CB . TYR 143 143 ? A -0.390 12.447 4.589 1.000 1 A 98.730 1 ATOM 1131 O O . TYR 143 143 ? A -2.231 10.771 6.867 1.000 1 A 98.730 1 ATOM 1132 C CG . TYR 143 143 ? A 0.487 12.513 5.821 1.000 1 A 98.730 1 ATOM 1133 C CD1 . TYR 143 143 ? A 0.285 13.522 6.784 1.000 1 A 98.730 1 ATOM 1134 C CD2 . TYR 143 143 ? A 1.495 11.549 6.012 1.000 1 A 98.730 1 ATOM 1135 C CE1 . TYR 143 143 ? A 1.104 13.581 7.928 1.000 1 A 98.730 1 ATOM 1136 C CE2 . TYR 143 143 ? A 2.302 11.600 7.164 1.000 1 A 98.730 1 ATOM 1137 O OH . TYR 143 143 ? A 2.912 12.665 9.217 1.000 1 A 98.730 1 ATOM 1138 C CZ . TYR 143 143 ? A 2.117 12.617 8.117 1.000 1 A 98.730 1 ATOM 1139 N N . LYS 144 144 ? A -3.356 12.394 5.804 1.000 1 A 98.630 1 ATOM 1140 C CA . LYS 144 144 ? A -4.378 12.557 6.851 1.000 1 A 98.630 1 ATOM 1141 C C . LYS 144 144 ? A -5.185 11.274 7.078 1.000 1 A 98.630 1 ATOM 1142 C CB . LYS 144 144 ? A -5.292 13.738 6.487 1.000 1 A 98.630 1 ATOM 1143 O O . LYS 144 144 ? A -5.501 10.951 8.223 1.000 1 A 98.630 1 ATOM 1144 C CG . LYS 144 144 ? A -6.343 13.983 7.575 1.000 1 A 98.630 1 ATOM 1145 C CD . LYS 144 144 ? A -7.302 15.117 7.211 1.000 1 A 98.630 1 ATOM 1146 C CE . LYS 144 144 ? A -8.319 15.179 8.350 1.000 1 A 98.630 1 ATOM 1147 N NZ . LYS 144 144 ? A -9.410 16.145 8.108 1.000 1 A 98.630 1 ATOM 1148 N N . LEU 145 145 ? A -5.522 10.558 6.006 1.000 1 A 98.570 1 ATOM 1149 C CA . LEU 145 145 ? A -6.226 9.279 6.073 1.000 1 A 98.570 1 ATOM 1150 C C . LEU 145 145 ? A -5.383 8.247 6.832 1.000 1 A 98.570 1 ATOM 1151 C CB . LEU 145 145 ? A -6.618 8.879 4.639 1.000 1 A 98.570 1 ATOM 1152 O O . LEU 145 145 ? A -5.887 7.650 7.776 1.000 1 A 98.570 1 ATOM 1153 C CG . LEU 145 145 ? A -7.517 7.637 4.515 1.000 1 A 98.570 1 ATOM 1154 C CD1 . LEU 145 145 ? A -8.263 7.676 3.183 1.000 1 A 98.570 1 ATOM 1155 C CD2 . LEU 145 145 ? A -6.713 6.342 4.595 1.000 1 A 98.570 1 ATOM 1156 N N . GLY 146 146 ? A -4.088 8.141 6.523 1.000 1 A 98.600 1 ATOM 1157 C CA . GLY 146 146 ? A -3.131 7.332 7.284 1.000 1 A 98.600 1 ATOM 1158 C C . GLY 146 146 ? A -3.043 7.723 8.759 1.000 1 A 98.600 1 ATOM 1159 O O . GLY 146 146 ? A -3.213 6.878 9.635 1.000 1 A 98.600 1 ATOM 1160 N N . ARG 147 147 ? A -2.869 9.019 9.052 1.000 1 A 98.480 1 ATOM 1161 C CA . ARG 147 147 ? A -2.780 9.548 10.429 1.000 1 A 98.480 1 ATOM 1162 C C . ARG 147 147 ? A -3.983 9.172 11.292 1.000 1 A 98.480 1 ATOM 1163 C CB . ARG 147 147 ? A -2.625 11.078 10.394 1.000 1 A 98.480 1 ATOM 1164 O O . ARG 147 147 ? A -3.821 8.955 12.490 1.000 1 A 98.480 1 ATOM 1165 C CG . ARG 147 147 ? A -1.225 11.575 9.990 1.000 1 A 98.480 1 ATOM 1166 C CD . ARG 147 147 ? A -0.106 11.259 10.995 1.000 1 A 98.480 1 ATOM 1167 N NE . ARG 147 147 ? A -0.399 11.728 12.360 1.000 1 A 98.480 1 ATOM 1168 N NH1 . ARG 147 147 ? A 1.757 12.218 12.990 1.000 1 A 98.480 1 ATOM 1169 N NH2 . ARG 147 147 ? A 0.088 12.570 14.412 1.000 1 A 98.480 1 ATOM 1170 C CZ . ARG 147 147 ? A 0.484 12.165 13.239 1.000 1 A 98.480 1 ATOM 1171 N N . ALA 148 148 ? A -5.178 9.079 10.708 1.000 1 A 98.510 1 ATOM 1172 C CA . ALA 148 148 ? A -6.382 8.661 11.423 1.000 1 A 98.510 1 ATOM 1173 C C . ALA 148 148 ? A -6.332 7.193 11.889 1.000 1 A 98.510 1 ATOM 1174 C CB . ALA 148 148 ? A -7.582 8.903 10.507 1.000 1 A 98.510 1 ATOM 1175 O O . ALA 148 148 ? A -7.003 6.838 12.855 1.000 1 A 98.510 1 ATOM 1176 N N . LEU 149 149 ? A -5.535 6.351 11.226 1.000 1 A 98.420 1 ATOM 1177 C CA . LEU 149 149 ? A -5.409 4.919 11.505 1.000 1 A 98.420 1 ATOM 1178 C C . LEU 149 149 ? A -4.252 4.584 12.449 1.000 1 A 98.420 1 ATOM 1179 C CB . LEU 149 149 ? A -5.244 4.150 10.183 1.000 1 A 98.420 1 ATOM 1180 O O . LEU 149 149 ? A -4.100 3.421 12.813 1.000 1 A 98.420 1 ATOM 1181 C CG . LEU 149 149 ? A -6.312 4.448 9.124 1.000 1 A 98.420 1 ATOM 1182 C CD1 . LEU 149 149 ? A -6.025 3.616 7.880 1.000 1 A 98.420 1 ATOM 1183 C CD2 . LEU 149 149 ? A -7.735 4.166 9.606 1.000 1 A 98.420 1 ATOM 1184 N N . ALA 150 150 ? A -3.451 5.573 12.860 1.000 1 A 97.950 1 ATOM 1185 C CA . ALA 150 150 ? A -2.190 5.340 13.561 1.000 1 A 97.950 1 ATOM 1186 C C . ALA 150 150 ? A -2.332 4.479 14.830 1.000 1 A 97.950 1 ATOM 1187 C CB . ALA 150 150 ? A -1.545 6.698 13.858 1.000 1 A 97.950 1 ATOM 1188 O O . ALA 150 150 ? A -1.476 3.638 15.095 1.000 1 A 97.950 1 ATOM 1189 N N . SER 151 151 ? A -3.444 4.595 15.568 1.000 1 A 97.240 1 ATOM 1190 C CA . SER 151 151 ? A -3.678 3.773 16.764 1.000 1 A 97.240 1 ATOM 1191 C C . SER 151 151 ? A -3.808 2.276 16.469 1.000 1 A 97.240 1 ATOM 1192 C CB . SER 151 151 ? A -4.914 4.260 17.529 1.000 1 A 97.240 1 ATOM 1193 O O . SER 151 151 ? A -3.493 1.457 17.328 1.000 1 A 97.240 1 ATOM 1194 O OG . SER 151 151 ? A -6.097 4.154 16.756 1.000 1 A 97.240 1 ATOM 1195 N N . LEU 152 152 ? A -4.239 1.890 15.263 1.000 1 A 98.030 1 ATOM 1196 C CA . LEU 152 152 ? A -4.482 0.488 14.909 1.000 1 A 98.030 1 ATOM 1197 C C . LEU 152 152 ? A -3.184 -0.332 14.858 1.000 1 A 98.030 1 ATOM 1198 C CB . LEU 152 152 ? A -5.251 0.417 13.575 1.000 1 A 98.030 1 ATOM 1199 O O . LEU 152 152 ? A -3.202 -1.519 15.189 1.000 1 A 98.030 1 ATOM 1200 C CG . LEU 152 152 ? A -6.633 1.093 13.596 1.000 1 A 98.030 1 ATOM 1201 C CD1 . LEU 152 152 ? A -7.294 0.964 12.226 1.000 1 A 98.030 1 ATOM 1202 C CD2 . LEU 152 152 ? A -7.574 0.464 14.627 1.000 1 A 98.030 1 ATOM 1203 N N . LYS 153 153 ? A -2.040 0.295 14.547 1.000 1 A 94.980 1 ATOM 1204 C CA . LYS 153 153 ? A -0.733 -0.383 14.592 1.000 1 A 94.980 1 ATOM 1205 C C . LYS 153 153 ? A -0.368 -0.820 16.014 1.000 1 A 94.980 1 ATOM 1206 C CB . LYS 153 153 ? A 0.354 0.507 13.951 1.000 1 A 94.980 1 ATOM 1207 O O . LYS 153 153 ? A 0.302 -1.836 16.196 1.000 1 A 94.980 1 ATOM 1208 C CG . LYS 153 153 ? A 1.045 1.464 14.946 1.000 1 A 94.980 1 ATOM 1209 C CD . LYS 153 153 ? A 1.919 2.520 14.261 1.000 1 A 94.980 1 ATOM 1210 C CE . LYS 153 153 ? A 2.244 3.672 15.225 1.000 1 A 94.980 1 ATOM 1211 N NZ . LYS 153 153 ? A 3.492 3.490 16.008 1.000 1 A 94.980 1 ATOM 1212 N N . ASP 154 154 ? A -0.799 -0.066 17.026 1.000 1 A 94.590 1 ATOM 1213 C CA . ASP 154 154 ? A -0.545 -0.358 18.442 1.000 1 A 94.590 1 ATOM 1214 C C . ASP 154 154 ? A -1.532 -1.405 18.991 1.000 1 A 94.590 1 ATOM 1215 C CB . ASP 154 154 ? A -0.589 0.943 19.262 1.000 1 A 94.590 1 ATOM 1216 O O . ASP 154 154 ? A -1.286 -2.022 20.026 1.000 1 A 94.590 1 ATOM 1217 C CG . ASP 154 154 ? A 0.439 1.990 18.808 1.000 1 A 94.590 1 ATOM 1218 O OD1 . ASP 154 154 ? A 1.602 1.612 18.530 1.000 1 A 94.590 1 ATOM 1219 O OD2 . ASP 154 154 ? A 0.081 3.190 18.771 1.000 1 A 94.590 1 ATOM 1220 N N . GLU 155 155 ? A -2.634 -1.641 18.275 1.000 1 A 96.400 1 ATOM 1221 C CA . GLU 155 155 ? A -3.628 -2.676 18.572 1.000 1 A 96.400 1 ATOM 1222 C C . GLU 155 155 ? A -3.283 -4.042 17.947 1.000 1 A 96.400 1 ATOM 1223 C CB . GLU 155 155 ? A -5.027 -2.194 18.146 1.000 1 A 96.400 1 ATOM 1224 O O . GLU 155 155 ? A -3.970 -5.031 18.227 1.000 1 A 96.400 1 ATOM 1225 C CG . GLU 155 155 ? A -5.531 -0.986 18.959 1.000 1 A 96.400 1 ATOM 1226 C CD . GLU 155 155 ? A -6.910 -0.482 18.489 1.000 1 A 96.400 1 ATOM 1227 O OE1 . GLU 155 155 ? A -7.154 0.751 18.529 1.000 1 A 96.400 1 ATOM 1228 O OE2 . GLU 155 155 ? A -7.753 -1.333 18.125 1.000 1 A 96.400 1 ATOM 1229 N N . GLY 156 156 ? A -2.206 -4.128 17.158 1.000 1 A 96.850 1 ATOM 1230 C CA . GLY 156 156 ? A -1.747 -5.358 16.505 1.000 1 A 96.850 1 ATOM 1231 C C . GLY 156 156 ? A -2.334 -5.585 15.107 1.000 1 A 96.850 1 ATOM 1232 O O . GLY 156 156 ? A -2.466 -6.734 14.678 1.000 1 A 96.850 1 ATOM 1233 N N . TYR 157 157 ? A -2.721 -4.516 14.406 1.000 1 A 98.400 1 ATOM 1234 C CA . TYR 157 157 ? A -3.129 -4.578 13.002 1.000 1 A 98.400 1 ATOM 1235 C C . TYR 157 157 ? A -1.986 -4.155 12.078 1.000 1 A 98.400 1 ATOM 1236 C CB . TYR 157 157 ? A -4.382 -3.727 12.776 1.000 1 A 98.400 1 ATOM 1237 O O . TYR 157 157 ? A -1.332 -3.136 12.310 1.000 1 A 98.400 1 ATOM 1238 C CG . TYR 157 157 ? A -5.557 -4.139 13.642 1.000 1 A 98.400 1 ATOM 1239 C CD1 . TYR 157 157 ? A -6.146 -5.402 13.458 1.000 1 A 98.400 1 ATOM 1240 C CD2 . TYR 157 157 ? A -6.042 -3.280 14.645 1.000 1 A 98.400 1 ATOM 1241 C CE1 . TYR 157 157 ? A -7.236 -5.799 14.257 1.000 1 A 98.400 1 ATOM 1242 C CE2 . TYR 157 157 ? A -7.129 -3.667 15.448 1.000 1 A 98.400 1 ATOM 1243 O OH . TYR 157 157 ? A -8.792 -5.290 16.014 1.000 1 A 98.400 1 ATOM 1244 C CZ . TYR 157 157 ? A -7.731 -4.927 15.250 1.000 1 A 98.400 1 ATOM 1245 N N . LEU 158 158 ? A -1.775 -4.922 11.006 1.000 1 A 98.610 1 ATOM 1246 C CA . LEU 158 158 ? A -0.819 -4.581 9.957 1.000 1 A 98.610 1 ATOM 1247 C C . LEU 158 158 ? A -1.473 -3.601 8.981 1.000 1 A 98.610 1 ATOM 1248 C CB . LEU 158 158 ? A -0.339 -5.871 9.266 1.000 1 A 98.610 1 ATOM 1249 O O . LEU 158 158 ? A -2.493 -3.920 8.374 1.000 1 A 98.610 1 ATOM 1250 C CG . LEU 158 158 ? A 0.522 -5.655 8.008 1.000 1 A 98.610 1 ATOM 1251 C CD1 . LEU 158 158 ? A 1.795 -4.870 8.303 1.000 1 A 98.610 1 ATOM 1252 C CD2 . LEU 158 158 ? A 0.944 -7.001 7.419 1.000 1 A 98.610 1 ATOM 1253 N N . ILE 159 159 ? A -0.871 -2.428 8.805 1.000 1 A 98.810 1 ATOM 1254 C CA . ILE 159 159 ? A -1.270 -1.460 7.779 1.000 1 A 98.810 1 ATOM 1255 C C . ILE 159 159 ? A -0.294 -1.596 6.614 1.000 1 A 98.810 1 ATOM 1256 C CB . ILE 159 159 ? A -1.344 -0.033 8.360 1.000 1 A 98.810 1 ATOM 1257 O O . ILE 159 159 ? A 0.903 -1.345 6.778 1.000 1 A 98.810 1 ATOM 1258 C CG1 . ILE 159 159 ? A -2.388 -0 9.502 1.000 1 A 98.810 1 ATOM 1259 C CG2 . ILE 159 159 ? A -1.719 0.965 7.250 1.000 1 A 98.810 1 ATOM 1260 C CD1 . ILE 159 159 ? A -2.459 1.309 10.287 1.000 1 A 98.810 1 ATOM 1261 N N . LEU 160 160 ? A -0.814 -2.021 5.462 1.000 1 A 98.870 1 ATOM 1262 C CA . LEU 160 160 ? A -0.034 -2.336 4.270 1.000 1 A 98.870 1 ATOM 1263 C C . LEU 160 160 ? A -0.504 -1.473 3.096 1.000 1 A 98.870 1 ATOM 1264 C CB . LEU 160 160 ? A -0.150 -3.846 3.985 1.000 1 A 98.870 1 ATOM 1265 O O . LEU 160 160 ? A -1.526 -1.751 2.468 1.000 1 A 98.870 1 ATOM 1266 C CG . LEU 160 160 ? A 0.691 -4.323 2.784 1.000 1 A 98.870 1 ATOM 1267 C CD1 . LEU 160 160 ? A 2.193 -4.188 3.047 1.000 1 A 98.870 1 ATOM 1268 C CD2 . LEU 160 160 ? A 0.385 -5.793 2.495 1.000 1 A 98.870 1 ATOM 1269 N N . GLY 161 161 ? A 0.256 -0.425 2.794 1.000 1 A 98.810 1 ATOM 1270 C CA . GLY 161 161 ? A 0.141 0.307 1.542 1.000 1 A 98.810 1 ATOM 1271 C C . GLY 161 161 ? A 0.688 -0.533 0.394 1.000 1 A 98.810 1 ATOM 1272 O O . GLY 161 161 ? A 1.839 -0.953 0.429 1.000 1 A 98.810 1 ATOM 1273 N N . SER 162 162 ? A -0.121 -0.769 -0.630 1.000 1 A 98.600 1 ATOM 1274 C CA . SER 162 162 ? A 0.255 -1.555 -1.797 1.000 1 A 98.600 1 ATOM 1275 C C . SER 162 162 ? A 0.026 -0.761 -3.076 1.000 1 A 98.600 1 ATOM 1276 C CB . SER 162 162 ? A -0.513 -2.864 -1.814 1.000 1 A 98.600 1 ATOM 1277 O O . SER 162 162 ? A -1.104 -0.533 -3.508 1.000 1 A 98.600 1 ATOM 1278 O OG . SER 162 162 ? A 0.004 -3.602 -2.890 1.000 1 A 98.600 1 ATOM 1279 N N . GLY 163 163 ? A 1.120 -0.330 -3.689 1.000 1 A 96.990 1 ATOM 1280 C CA . GLY 163 163 ? A 1.108 0.499 -4.887 1.000 1 A 96.990 1 ATOM 1281 C C . GLY 163 163 ? A 2.263 0.144 -5.806 1.000 1 A 96.990 1 ATOM 1282 O O . GLY 163 163 ? A 2.588 -1.024 -5.990 1.000 1 A 96.990 1 ATOM 1283 N N . THR 164 164 ? A 2.899 1.147 -6.398 1.000 1 A 93.440 1 ATOM 1284 C CA . THR 164 164 ? A 4.182 0.992 -7.095 1.000 1 A 93.440 1 ATOM 1285 C C . THR 164 164 ? A 4.953 2.306 -7.033 1.000 1 A 93.440 1 ATOM 1286 C CB . THR 164 164 ? A 3.944 0.583 -8.551 1.000 1 A 93.440 1 ATOM 1287 O O . THR 164 164 ? A 4.368 3.364 -7.256 1.000 1 A 93.440 1 ATOM 1288 C CG2 . THR 164 164 ? A 5.225 0.451 -9.351 1.000 1 A 93.440 1 ATOM 1289 O OG1 . THR 164 164 ? A 3.349 -0.690 -8.632 1.000 1 A 93.440 1 ATOM 1290 N N . THR 165 165 ? A 6.259 2.270 -6.756 1.000 1 A 91.600 1 ATOM 1291 C CA . THR 165 165 ? A 7.074 3.491 -6.654 1.000 1 A 91.600 1 ATOM 1292 C C . THR 165 165 ? A 7.124 4.281 -7.967 1.000 1 A 91.600 1 ATOM 1293 C CB . THR 165 165 ? A 8.477 3.143 -6.141 1.000 1 A 91.600 1 ATOM 1294 O O . THR 165 165 ? A 7.052 5.508 -7.931 1.000 1 A 91.600 1 ATOM 1295 C CG2 . THR 165 165 ? A 9.461 4.311 -6.200 1.000 1 A 91.600 1 ATOM 1296 O OG1 . THR 165 165 ? A 8.373 2.759 -4.792 1.000 1 A 91.600 1 ATOM 1297 N N . THR 166 166 ? A 7.148 3.619 -9.126 1.000 1 A 94.320 1 ATOM 1298 C CA . THR 166 166 ? A 6.970 4.236 -10.455 1.000 1 A 94.320 1 ATOM 1299 C C . THR 166 166 ? A 5.967 3.435 -11.289 1.000 1 A 94.320 1 ATOM 1300 C CB . THR 166 166 ? A 8.303 4.341 -11.216 1.000 1 A 94.320 1 ATOM 1301 O O . THR 166 166 ? A 6.189 2.263 -11.560 1.000 1 A 94.320 1 ATOM 1302 C CG2 . THR 166 166 ? A 9.261 5.342 -10.575 1.000 1 A 94.320 1 ATOM 1303 O OG1 . THR 166 166 ? A 8.982 3.109 -11.226 1.000 1 A 94.320 1 ATOM 1304 N N . HIS 167 167 ? A 4.871 4.049 -11.736 1.000 1 A 92.920 1 ATOM 1305 C CA . HIS 167 167 ? A 3.733 3.357 -12.349 1.000 1 A 92.920 1 ATOM 1306 C C . HIS 167 167 ? A 3.333 3.945 -13.718 1.000 1 A 92.920 1 ATOM 1307 C CB . HIS 167 167 ? A 2.580 3.314 -11.338 1.000 1 A 92.920 1 ATOM 1308 O O . HIS 167 167 ? A 2.198 4.363 -13.953 1.000 1 A 92.920 1 ATOM 1309 C CG . HIS 167 167 ? A 1.487 2.372 -11.764 1.000 1 A 92.920 1 ATOM 1310 C CD2 . HIS 167 167 ? A 1.516 1.004 -11.731 1.000 1 A 92.920 1 ATOM 1311 N ND1 . HIS 167 167 ? A 0.286 2.740 -12.324 1.000 1 A 92.920 1 ATOM 1312 C CE1 . HIS 167 167 ? A -0.392 1.623 -12.623 1.000 1 A 92.920 1 ATOM 1313 N NE2 . HIS 167 167 ? A 0.333 0.542 -12.314 1.000 1 A 92.920 1 ATOM 1314 N N . ASN 168 168 ? A 4.270 3.976 -14.671 1.000 1 A 93.390 1 ATOM 1315 C CA . ASN 168 168 ? A 3.966 4.359 -16.053 1.000 1 A 93.390 1 ATOM 1316 C C . ASN 168 168 ? A 3.898 3.141 -16.971 1.000 1 A 93.390 1 ATOM 1317 C CB . ASN 168 168 ? A 4.934 5.435 -16.536 1.000 1 A 93.390 1 ATOM 1318 O O . ASN 168 168 ? A 4.862 2.802 -17.657 1.000 1 A 93.390 1 ATOM 1319 C CG . ASN 168 168 ? A 4.467 6.089 -17.829 1.000 1 A 93.390 1 ATOM 1320 N ND2 . ASN 168 168 ? A 4.978 7.258 -18.119 1.000 1 A 93.390 1 ATOM 1321 O OD1 . ASN 168 168 ? A 3.623 5.607 -18.575 1.000 1 A 93.390 1 ATOM 1322 N N . LEU 169 169 ? A 2.717 2.523 -17.024 1.000 1 A 88.150 1 ATOM 1323 C CA . LEU 169 169 ? A 2.473 1.315 -17.817 1.000 1 A 88.150 1 ATOM 1324 C C . LEU 169 169 ? A 2.757 1.494 -19.319 1.000 1 A 88.150 1 ATOM 1325 C CB . LEU 169 169 ? A 1.031 0.829 -17.589 1.000 1 A 88.150 1 ATOM 1326 O O . LEU 169 169 ? A 3.033 0.522 -20.014 1.000 1 A 88.150 1 ATOM 1327 C CG . LEU 169 169 ? A 0.667 0.511 -16.125 1.000 1 A 88.150 1 ATOM 1328 C CD1 . LEU 169 169 ? A -0.755 -0.044 -16.076 1.000 1 A 88.150 1 ATOM 1329 C CD2 . LEU 169 169 ? A 1.607 -0.514 -15.495 1.000 1 A 88.150 1 ATOM 1330 N N . ARG 170 170 ? A 2.732 2.735 -19.829 1.000 1 A 90.940 1 ATOM 1331 C CA . ARG 170 170 ? A 3.035 3.045 -21.238 1.000 1 A 90.940 1 ATOM 1332 C C . ARG 170 170 ? A 4.528 2.971 -21.567 1.000 1 A 90.940 1 ATOM 1333 C CB . ARG 170 170 ? A 2.506 4.438 -21.613 1.000 1 A 90.940 1 ATOM 1334 O O . ARG 170 170 ? A 4.873 3.054 -22.740 1.000 1 A 90.940 1 ATOM 1335 C CG . ARG 170 170 ? A 1.003 4.612 -21.373 1.000 1 A 90.940 1 ATOM 1336 C CD . ARG 170 170 ? A 0.589 6.035 -21.756 1.000 1 A 90.940 1 ATOM 1337 N NE . ARG 170 170 ? A -0.840 6.267 -21.483 1.000 1 A 90.940 1 ATOM 1338 N NH1 . ARG 170 170 ? A -0.891 8.496 -22.026 1.000 1 A 90.940 1 ATOM 1339 N NH2 . ARG 170 170 ? A -2.750 7.489 -21.302 1.000 1 A 90.940 1 ATOM 1340 C CZ . ARG 170 170 ? A -1.485 7.413 -21.605 1.000 1 A 90.940 1 ATOM 1341 N N . GLN 171 171 ? A 5.395 2.894 -20.557 1.000 1 A 91.470 1 ATOM 1342 C CA . GLN 171 171 ? A 6.854 2.876 -20.713 1.000 1 A 91.470 1 ATOM 1343 C C . GLN 171 171 ? A 7.495 1.566 -20.244 1.000 1 A 91.470 1 ATOM 1344 C CB . GLN 171 171 ? A 7.487 4.108 -20.034 1.000 1 A 91.470 1 ATOM 1345 O O . GLN 171 171 ? A 8.717 1.488 -20.198 1.000 1 A 91.470 1 ATOM 1346 C CG . GLN 171 171 ? A 6.994 5.411 -20.676 1.000 1 A 91.470 1 ATOM 1347 C CD . GLN 171 171 ? A 7.842 6.647 -20.371 1.000 1 A 91.470 1 ATOM 1348 N NE2 . GLN 171 171 ? A 7.560 7.743 -21.043 1.000 1 A 91.470 1 ATOM 1349 O OE1 . GLN 171 171 ? A 8.775 6.700 -19.581 1.000 1 A 91.470 1 ATOM 1350 N N . LEU 172 172 ? A 6.692 0.544 -19.932 1.000 1 A 90.840 1 ATOM 1351 C CA . LEU 172 172 ? A 7.215 -0.779 -19.607 1.000 1 A 90.840 1 ATOM 1352 C C . LEU 172 172 ? A 7.883 -1.402 -20.832 1.000 1 A 90.840 1 ATOM 1353 C CB . LEU 172 172 ? A 6.092 -1.699 -19.102 1.000 1 A 90.840 1 ATOM 1354 O O . LEU 172 172 ? A 7.297 -1.442 -21.915 1.000 1 A 90.840 1 ATOM 1355 C CG . LEU 172 172 ? A 5.416 -1.234 -17.806 1.000 1 A 90.840 1 ATOM 1356 C CD1 . LEU 172 172 ? A 4.264 -2.184 -17.479 1.000 1 A 90.840 1 ATOM 1357 C CD2 . LEU 172 172 ? A 6.356 -1.205 -16.603 1.000 1 A 90.840 1 ATOM 1358 N N . ASP 173 173 ? A 9.071 -1.956 -20.627 1.000 1 A 89.810 1 ATOM 1359 C CA . ASP 173 173 ? A 9.809 -2.689 -21.646 1.000 1 A 89.810 1 ATOM 1360 C C . ASP 173 173 ? A 10.260 -4.050 -21.104 1.000 1 A 89.810 1 ATOM 1361 C CB . ASP 173 173 ? A 10.966 -1.833 -22.176 1.000 1 A 89.810 1 ATOM 1362 O O . ASP 173 173 ? A 11.116 -4.154 -20.226 1.000 1 A 89.810 1 ATOM 1363 C CG . ASP 173 173 ? A 11.801 -2.571 -23.231 1.000 1 A 89.810 1 ATOM 1364 O OD1 . ASP 173 173 ? A 11.341 -3.635 -23.722 1.000 1 A 89.810 1 ATOM 1365 O OD2 . ASP 173 173 ? A 12.901 -2.078 -23.549 1.000 1 A 89.810 1 ATOM 1366 N N . ARG 174 174 ? A 9.677 -5.119 -21.657 1.000 1 A 86.420 1 ATOM 1367 C CA . ARG 174 174 ? A 10.009 -6.511 -21.308 1.000 1 A 86.420 1 ATOM 1368 C C . ARG 174 174 ? A 11.418 -6.920 -21.739 1.000 1 A 86.420 1 ATOM 1369 C CB . ARG 174 174 ? A 8.979 -7.469 -21.924 1.000 1 A 86.420 1 ATOM 1370 O O . ARG 174 174 ? A 11.933 -7.901 -21.217 1.000 1 A 86.420 1 ATOM 1371 C CG . ARG 174 174 ? A 7.605 -7.366 -21.249 1.000 1 A 86.420 1 ATOM 1372 C CD . ARG 174 174 ? A 6.639 -8.384 -21.861 1.000 1 A 86.420 1 ATOM 1373 N NE . ARG 174 174 ? A 5.359 -8.416 -21.130 1.000 1 A 86.420 1 ATOM 1374 N NH1 . ARG 174 174 ? A 4.528 -10.345 -22.059 1.000 1 A 86.420 1 ATOM 1375 N NH2 . ARG 174 174 ? A 3.350 -9.282 -20.492 1.000 1 A 86.420 1 ATOM 1376 C CZ . ARG 174 174 ? A 4.421 -9.343 -21.231 1.000 1 A 86.420 1 ATOM 1377 N N . ASN 175 175 ? A 12.022 -6.193 -22.676 1.000 1 A 89.610 1 ATOM 1378 C CA . ASN 175 175 ? A 13.366 -6.460 -23.184 1.000 1 A 89.610 1 ATOM 1379 C C . ASN 175 175 ? A 14.421 -5.535 -22.565 1.000 1 A 89.610 1 ATOM 1380 C CB . ASN 175 175 ? A 13.347 -6.344 -24.712 1.000 1 A 89.610 1 ATOM 1381 O O . ASN 175 175 ? A 15.581 -5.573 -22.979 1.000 1 A 89.610 1 ATOM 1382 C CG . ASN 175 175 ? A 12.352 -7.283 -25.360 1.000 1 A 89.610 1 ATOM 1383 N ND2 . ASN 175 175 ? A 11.511 -6.767 -26.224 1.000 1 A 89.610 1 ATOM 1384 O OD1 . ASN 175 175 ? A 12.301 -8.476 -25.112 1.000 1 A 89.610 1 ATOM 1385 N N . ALA 176 176 ? A 14.037 -4.703 -21.592 1.000 1 A 90.420 1 ATOM 1386 C CA . ALA 176 176 ? A 14.951 -3.769 -20.961 1.000 1 A 90.420 1 ATOM 1387 C C . ALA 176 176 ? A 16.118 -4.513 -20.298 1.000 1 A 90.420 1 ATOM 1388 C CB . ALA 176 176 ? A 14.184 -2.925 -19.943 1.000 1 A 90.420 1 ATOM 1389 O O . ALA 176 176 ? A 15.933 -5.368 -19.434 1.000 1 A 90.420 1 ATOM 1390 N N . THR 177 177 ? A 17.345 -4.141 -20.660 1.000 1 A 88.790 1 ATOM 1391 C CA . THR 177 177 ? A 18.577 -4.680 -20.058 1.000 1 A 88.790 1 ATOM 1392 C C . THR 177 177 ? A 19.101 -3.810 -18.912 1.000 1 A 88.790 1 ATOM 1393 C CB . THR 177 177 ? A 19.661 -4.871 -21.125 1.000 1 A 88.790 1 ATOM 1394 O O . THR 177 177 ? A 20.213 -4.007 -18.425 1.000 1 A 88.790 1 ATOM 1395 C CG2 . THR 177 177 ? A 19.229 -5.847 -22.218 1.000 1 A 88.790 1 ATOM 1396 O OG1 . THR 177 177 ? A 19.960 -3.634 -21.735 1.000 1 A 88.790 1 ATOM 1397 N N . GLY 178 178 ? A 18.338 -2.798 -18.509 1.000 1 A 92.080 1 ATOM 1398 C CA . GLY 178 178 ? A 18.722 -1.816 -17.509 1.000 1 A 92.080 1 ATOM 1399 C C . GLY 178 178 ? A 17.531 -0.967 -17.090 1.000 1 A 92.080 1 ATOM 1400 O O . GLY 178 178 ? A 16.409 -1.200 -17.523 1.000 1 A 92.080 1 ATOM 1401 N N . VAL 179 179 ? A 17.792 0.015 -16.233 1.000 1 A 95.280 1 ATOM 1402 C CA . VAL 179 179 ? A 16.765 0.897 -15.672 1.000 1 A 95.280 1 ATOM 1403 C C . VAL 179 179 ? A 16.936 2.290 -16.249 1.000 1 A 95.280 1 ATOM 1404 C CB . VAL 179 179 ? A 16.839 0.925 -14.140 1.000 1 A 95.280 1 ATOM 1405 O O . VAL 179 179 ? A 18.050 2.828 -16.235 1.000 1 A 95.280 1 ATOM 1406 C CG1 . VAL 179 179 ? A 15.748 1.791 -13.507 1.000 1 A 95.280 1 ATOM 1407 C CG2 . VAL 179 179 ? A 16.782 -0.480 -13.547 1.000 1 A 95.280 1 ATOM 1408 N N . GLU 180 180 ? A 15.835 2.871 -16.713 1.000 1 A 96.740 1 ATOM 1409 C CA . GLU 180 180 ? A 15.814 4.217 -17.276 1.000 1 A 96.740 1 ATOM 1410 C C . GLU 180 180 ? A 16.329 5.263 -16.263 1.000 1 A 96.740 1 ATOM 1411 C CB . GLU 180 180 ? A 14.387 4.574 -17.702 1.000 1 A 96.740 1 ATOM 1412 O O . GLU 180 180 ? A 15.957 5.219 -15.085 1.000 1 A 96.740 1 ATOM 1413 C CG . GLU 180 180 ? A 13.940 3.908 -19.009 1.000 1 A 96.740 1 ATOM 1414 C CD . GLU 180 180 ? A 14.687 4.509 -20.200 1.000 1 A 96.740 1 ATOM 1415 O OE1 . GLU 180 180 ? A 15.456 3.771 -20.847 1.000 1 A 96.740 1 ATOM 1416 O OE2 . GLU 180 180 ? A 14.523 5.740 -20.398 1.000 1 A 96.740 1 ATOM 1417 N N . PRO 181 181 ? A 17.145 6.252 -16.681 1.000 1 A 96.820 1 ATOM 1418 C CA . PRO 181 181 ? A 17.721 7.237 -15.761 1.000 1 A 96.820 1 ATOM 1419 C C . PRO 181 181 ? A 16.684 7.990 -14.919 1.000 1 A 96.820 1 ATOM 1420 C CB . PRO 181 181 ? A 18.526 8.192 -16.646 1.000 1 A 96.820 1 ATOM 1421 O O . PRO 181 181 ? A 16.845 8.115 -13.708 1.000 1 A 96.820 1 ATOM 1422 C CG . PRO 181 181 ? A 18.937 7.311 -17.824 1.000 1 A 96.820 1 ATOM 1423 C CD . PRO 181 181 ? A 17.733 6.391 -18.008 1.000 1 A 96.820 1 ATOM 1424 N N . TRP 182 182 ? A 15.571 8.407 -15.528 1.000 1 A 96.640 1 ATOM 1425 C CA . TRP 182 182 ? A 14.512 9.146 -14.832 1.000 1 A 96.640 1 ATOM 1426 C C . TRP 182 182 ? A 13.841 8.323 -13.716 1.000 1 A 96.640 1 ATOM 1427 C CB . TRP 182 182 ? A 13.483 9.628 -15.866 1.000 1 A 96.640 1 ATOM 1428 O O . TRP 182 182 ? A 13.360 8.891 -12.737 1.000 1 A 96.640 1 ATOM 1429 C CG . TRP 182 182 ? A 12.594 8.570 -16.447 1.000 1 A 96.640 1 ATOM 1430 C CD1 . TRP 182 182 ? A 12.814 7.860 -17.577 1.000 1 A 96.640 1 ATOM 1431 C CD2 . TRP 182 182 ? A 11.375 8.017 -15.864 1.000 1 A 96.640 1 ATOM 1432 C CE2 . TRP 182 182 ? A 10.878 6.997 -16.729 1.000 1 A 96.640 1 ATOM 1433 C CE3 . TRP 182 182 ? A 10.688 8.224 -14.650 1.000 1 A 96.640 1 ATOM 1434 N NE1 . TRP 182 182 ? A 11.806 6.928 -17.745 1.000 1 A 96.640 1 ATOM 1435 C CH2 . TRP 182 182 ? A 9.084 6.462 -15.200 1.000 1 A 96.640 1 ATOM 1436 C CZ2 . TRP 182 182 ? A 9.731 6.250 -16.429 1.000 1 A 96.640 1 ATOM 1437 C CZ3 . TRP 182 182 ? A 9.585 7.426 -14.307 1.000 1 A 96.640 1 ATOM 1438 N N . VAL 183 183 ? A 13.823 6.990 -13.846 1.000 1 A 97.260 1 ATOM 1439 C CA . VAL 183 183 ? A 13.273 6.062 -12.843 1.000 1 A 97.260 1 ATOM 1440 C C . VAL 183 183 ? A 14.200 6.015 -11.642 1.000 1 A 97.260 1 ATOM 1441 C CB . VAL 183 183 ? A 13.112 4.643 -13.418 1.000 1 A 97.260 1 ATOM 1442 O O . VAL 183 183 ? A 13.733 6.131 -10.514 1.000 1 A 97.260 1 ATOM 1443 C CG1 . VAL 183 183 ? A 12.598 3.613 -12.407 1.000 1 A 97.260 1 ATOM 1444 C CG2 . VAL 183 183 ? A 12.170 4.655 -14.617 1.000 1 A 97.260 1 ATOM 1445 N N . LYS 184 184 ? A 15.516 5.920 -11.881 1.000 1 A 97.250 1 ATOM 1446 C CA . LYS 184 184 ? A 16.528 6.006 -10.820 1.000 1 A 97.250 1 ATOM 1447 C C . LYS 184 184 ? A 16.463 7.346 -10.099 1.000 1 A 97.250 1 ATOM 1448 C CB . LYS 184 184 ? A 17.939 5.808 -11.387 1.000 1 A 97.250 1 ATOM 1449 O O . LYS 184 184 ? A 16.548 7.370 -8.881 1.000 1 A 97.250 1 ATOM 1450 C CG . LYS 184 184 ? A 18.196 4.378 -11.867 1.000 1 A 97.250 1 ATOM 1451 C CD . LYS 184 184 ? A 19.610 4.296 -12.452 1.000 1 A 97.250 1 ATOM 1452 C CE . LYS 184 184 ? A 19.921 2.847 -12.815 1.000 1 A 97.250 1 ATOM 1453 N NZ . LYS 184 184 ? A 21.182 2.724 -13.578 1.000 1 A 97.250 1 ATOM 1454 N N . GLU 185 185 ? A 16.290 8.445 -10.830 1.000 1 A 98.230 1 ATOM 1455 C CA . GLU 185 185 ? A 16.165 9.784 -10.242 1.000 1 A 98.230 1 ATOM 1456 C C . GLU 185 185 ? A 14.917 9.914 -9.357 1.000 1 A 98.230 1 ATOM 1457 C CB . GLU 185 185 ? A 16.139 10.841 -11.356 1.000 1 A 98.230 1 ATOM 1458 O O . GLU 185 185 ? A 15.012 10.449 -8.253 1.000 1 A 98.230 1 ATOM 1459 C CG . GLU 185 185 ? A 17.507 11.032 -12.034 1.000 1 A 98.230 1 ATOM 1460 C CD . GLU 185 185 ? A 17.426 11.914 -13.292 1.000 1 A 98.230 1 ATOM 1461 O OE1 . GLU 185 185 ? A 18.349 11.827 -14.129 1.000 1 A 98.230 1 ATOM 1462 O OE2 . GLU 185 185 ? A 16.428 12.659 -13.447 1.000 1 A 98.230 1 ATOM 1463 N N . PHE 186 186 ? A 13.761 9.397 -9.796 1.000 1 A 98.390 1 ATOM 1464 C CA . PHE 186 186 ? A 12.543 9.384 -8.977 1.000 1 A 98.390 1 ATOM 1465 C C . PHE 186 186 ? A 12.690 8.475 -7.747 1.000 1 A 98.390 1 ATOM 1466 C CB . PHE 186 186 ? A 11.326 8.980 -9.828 1.000 1 A 98.390 1 ATOM 1467 O O . PHE 186 186 ? A 12.377 8.898 -6.635 1.000 1 A 98.390 1 ATOM 1468 C CG . PHE 186 186 ? A 10.004 9.089 -9.079 1.000 1 A 98.390 1 ATOM 1469 C CD1 . PHE 186 186 ? A 9.607 8.092 -8.169 1.000 1 A 98.390 1 ATOM 1470 C CD2 . PHE 186 186 ? A 9.175 10.210 -9.257 1.000 1 A 98.390 1 ATOM 1471 C CE1 . PHE 186 186 ? A 8.424 8.243 -7.424 1.000 1 A 98.390 1 ATOM 1472 C CE2 . PHE 186 186 ? A 7.998 10.369 -8.507 1.000 1 A 98.390 1 ATOM 1473 C CZ . PHE 186 186 ? A 7.619 9.382 -7.587 1.000 1 A 98.390 1 ATOM 1474 N N . ASP 187 187 ? A 13.179 7.242 -7.931 1.000 1 A 98.110 1 ATOM 1475 C CA . ASP 187 187 ? A 13.375 6.266 -6.849 1.000 1 A 98.110 1 ATOM 1476 C C . ASP 187 187 ? A 14.351 6.787 -5.790 1.000 1 A 98.110 1 ATOM 1477 C CB . ASP 187 187 ? A 13.894 4.943 -7.435 1.000 1 A 98.110 1 ATOM 1478 O O . ASP 187 187 ? A 14.058 6.752 -4.595 1.000 1 A 98.110 1 ATOM 1479 C CG . ASP 187 187 ? A 13.965 3.848 -6.366 1.000 1 A 98.110 1 ATOM 1480 O OD1 . ASP 187 187 ? A 12.897 3.248 -6.119 1.000 1 A 98.110 1 ATOM 1481 O OD2 . ASP 187 187 ? A 15.061 3.590 -5.814 1.000 1 A 98.110 1 ATOM 1482 N N . GLN 188 188 ? A 15.476 7.351 -6.235 1.000 1 A 98.310 1 ATOM 1483 C CA . GLN 188 188 ? A 16.479 7.933 -5.356 1.000 1 A 98.310 1 ATOM 1484 C C . GLN 188 188 ? A 15.932 9.158 -4.620 1.000 1 A 98.310 1 ATOM 1485 C CB . GLN 188 188 ? A 17.736 8.275 -6.172 1.000 1 A 98.310 1 ATOM 1486 O O . GLN 188 188 ? A 16.125 9.271 -3.410 1.000 1 A 98.310 1 ATOM 1487 C CG . GLN 188 188 ? A 18.895 8.753 -5.287 1.000 1 A 98.310 1 ATOM 1488 C CD . GLN 188 188 ? A 19.387 7.699 -4.297 1.000 1 A 98.310 1 ATOM 1489 N NE2 . GLN 188 188 ? A 19.979 8.112 -3.204 1.000 1 A 98.310 1 ATOM 1490 O OE1 . GLN 188 188 ? A 19.279 6.495 -4.484 1.000 1 A 98.310 1 ATOM 1491 N N . TRP 189 189 ? A 15.200 10.046 -5.307 1.000 1 A 98.630 1 ATOM 1492 C CA . TRP 189 189 ? A 14.538 11.175 -4.654 1.000 1 A 98.630 1 ATOM 1493 C C . TRP 189 189 ? A 13.565 10.705 -3.572 1.000 1 A 98.630 1 ATOM 1494 C CB . TRP 189 189 ? A 13.799 12.039 -5.683 1.000 1 A 98.630 1 ATOM 1495 O O . TRP 189 189 ? A 13.550 11.285 -2.486 1.000 1 A 98.630 1 ATOM 1496 C CG . TRP 189 189 ? A 12.909 13.088 -5.082 1.000 1 A 98.630 1 ATOM 1497 C CD1 . TRP 189 189 ? A 13.265 14.361 -4.798 1.000 1 A 98.630 1 ATOM 1498 C CD2 . TRP 189 189 ? A 11.511 12.961 -4.668 1.000 1 A 98.630 1 ATOM 1499 C CE2 . TRP 189 189 ? A 11.098 14.202 -4.098 1.000 1 A 98.630 1 ATOM 1500 C CE3 . TRP 189 189 ? A 10.548 11.928 -4.722 1.000 1 A 98.630 1 ATOM 1501 N NE1 . TRP 189 189 ? A 12.189 15.031 -4.247 1.000 1 A 98.630 1 ATOM 1502 C CH2 . TRP 189 189 ? A 8.893 13.338 -3.612 1.000 1 A 98.630 1 ATOM 1503 C CZ2 . TRP 189 189 ? A 9.809 14.400 -3.584 1.000 1 A 98.630 1 ATOM 1504 C CZ3 . TRP 189 189 ? A 9.259 12.108 -4.186 1.000 1 A 98.630 1 ATOM 1505 N N . LEU 190 190 ? A 12.769 9.666 -3.838 1.000 1 A 98.620 1 ATOM 1506 C CA . LEU 190 190 ? A 11.816 9.134 -2.867 1.000 1 A 98.620 1 ATOM 1507 C C . LEU 190 190 ? A 12.542 8.536 -1.660 1.000 1 A 98.620 1 ATOM 1508 C CB . LEU 190 190 ? A 10.909 8.099 -3.551 1.000 1 A 98.620 1 ATOM 1509 O O . LEU 190 190 ? A 12.204 8.875 -0.526 1.000 1 A 98.620 1 ATOM 1510 C CG . LEU 190 190 ? A 9.868 7.484 -2.598 1.000 1 A 98.620 1 ATOM 1511 C CD1 . LEU 190 190 ? A 8.888 8.532 -2.066 1.000 1 A 98.620 1 ATOM 1512 C CD2 . LEU 190 190 ? A 9.089 6.405 -3.340 1.000 1 A 98.620 1 ATOM 1513 N N . TYR 191 191 ? A 13.560 7.705 -1.905 1.000 1 A 98.530 1 ATOM 1514 C CA . TYR 191 191 ? A 14.409 7.127 -0.866 1.000 1 A 98.530 1 ATOM 1515 C C . TYR 191 191 ? A 14.993 8.217 0.035 1.000 1 A 98.530 1 ATOM 1516 C CB . TYR 191 191 ? A 15.515 6.280 -1.517 1.000 1 A 98.530 1 ATOM 1517 O O . TYR 191 191 ? A 14.740 8.219 1.236 1.000 1 A 98.530 1 ATOM 1518 C CG . TYR 191 191 ? A 16.629 5.880 -0.567 1.000 1 A 98.530 1 ATOM 1519 C CD1 . TYR 191 191 ? A 17.914 6.438 -0.705 1.000 1 A 98.530 1 ATOM 1520 C CD2 . TYR 191 191 ? A 16.365 4.990 0.488 1.000 1 A 98.530 1 ATOM 1521 C CE1 . TYR 191 191 ? A 18.931 6.114 0.214 1.000 1 A 98.530 1 ATOM 1522 C CE2 . TYR 191 191 ? A 17.384 4.637 1.392 1.000 1 A 98.530 1 ATOM 1523 O OH . TYR 191 191 ? A 19.634 4.893 2.161 1.000 1 A 98.530 1 ATOM 1524 C CZ . TYR 191 191 ? A 18.663 5.214 1.268 1.000 1 A 98.530 1 ATOM 1525 N N . GLU 192 192 ? A 15.688 9.197 -0.545 1.000 1 A 98.500 1 ATOM 1526 C CA . GLU 192 192 ? A 16.313 10.278 0.215 1.000 1 A 98.500 1 ATOM 1527 C C . GLU 192 192 ? A 15.297 11.186 0.905 1.000 1 A 98.500 1 ATOM 1528 C CB . GLU 192 192 ? A 17.131 11.163 -0.727 1.000 1 A 98.500 1 ATOM 1529 O O . GLU 192 192 ? A 15.597 11.756 1.952 1.000 1 A 98.500 1 ATOM 1530 C CG . GLU 192 192 ? A 18.391 10.476 -1.255 1.000 1 A 98.500 1 ATOM 1531 C CD . GLU 192 192 ? A 19.114 11.327 -2.307 1.000 1 A 98.500 1 ATOM 1532 O OE1 . GLU 192 192 ? A 20.160 10.834 -2.791 1.000 1 A 98.500 1 ATOM 1533 O OE2 . GLU 192 192 ? A 18.630 12.438 -2.625 1.000 1 A 98.500 1 ATOM 1534 N N . SER 193 193 ? A 14.118 11.393 0.316 1.000 1 A 98.560 1 ATOM 1535 C CA . SER 193 193 ? A 13.077 12.208 0.944 1.000 1 A 98.560 1 ATOM 1536 C C . SER 193 193 ? A 12.520 11.517 2.182 1.000 1 A 98.560 1 ATOM 1537 C CB . SER 193 193 ? A 11.943 12.549 -0.022 1.000 1 A 98.560 1 ATOM 1538 O O . SER 193 193 ? A 12.366 12.159 3.217 1.000 1 A 98.560 1 ATOM 1539 O OG . SER 193 193 ? A 12.437 13.256 -1.138 1.000 1 A 98.560 1 ATOM 1540 N N . LEU 194 194 ? A 12.277 10.208 2.106 1.000 1 A 98.330 1 ATOM 1541 C CA . LEU 194 194 ? A 11.774 9.424 3.229 1.000 1 A 98.330 1 ATOM 1542 C C . LEU 194 194 ? A 12.826 9.257 4.331 1.000 1 A 98.330 1 ATOM 1543 C CB . LEU 194 194 ? A 11.262 8.072 2.704 1.000 1 A 98.330 1 ATOM 1544 O O . LEU 194 194 ? A 12.538 9.551 5.487 1.000 1 A 98.330 1 ATOM 1545 C CG . LEU 194 194 ? A 9.947 8.171 1.911 1.000 1 A 98.330 1 ATOM 1546 C CD1 . LEU 194 194 ? A 9.619 6.815 1.293 1.000 1 A 98.330 1 ATOM 1547 C CD2 . LEU 194 194 ? A 8.775 8.600 2.801 1.000 1 A 98.330 1 ATOM 1548 N N . THR 195 195 ? A 14.056 8.853 4.002 1.000 1 A 97.160 1 ATOM 1549 C CA . THR 195 195 ? A 15.080 8.564 5.025 1.000 1 A 97.160 1 ATOM 1550 C C . THR 195 195 ? A 15.682 9.811 5.668 1.000 1 A 97.160 1 ATOM 1551 C CB . THR 195 195 ? A 16.212 7.689 4.478 1.000 1 A 97.160 1 ATOM 1552 O O . THR 195 195 ? A 16.255 9.718 6.749 1.000 1 A 97.160 1 ATOM 1553 C CG2 . THR 195 195 ? A 15.702 6.335 3.988 1.000 1 A 97.160 1 ATOM 1554 O OG1 . THR 195 195 ? A 16.885 8.342 3.421 1.000 1 A 97.160 1 ATOM 1555 N N . ASN 196 196 ? A 15.555 10.984 5.036 1.000 1 A 97.400 1 ATOM 1556 C CA . ASN 196 196 ? A 15.965 12.268 5.619 1.000 1 A 97.400 1 ATOM 1557 C C . ASN 196 196 ? A 14.778 13.073 6.176 1.000 1 A 97.400 1 ATOM 1558 C CB . ASN 196 196 ? A 16.809 13.073 4.619 1.000 1 A 97.400 1 ATOM 1559 O O . ASN 196 196 ? A 14.883 14.290 6.328 1.000 1 A 97.400 1 ATOM 1560 C CG . ASN 196 196 ? A 18.066 12.347 4.183 1.000 1 A 97.400 1 ATOM 1561 N ND2 . ASN 196 196 ? A 18.237 12.126 2.904 1.000 1 A 97.400 1 ATOM 1562 O OD1 . ASN 196 196 ? A 18.913 11.979 4.974 1.000 1 A 97.400 1 ATOM 1563 N N . ASN 197 197 ? A 13.644 12.419 6.456 1.000 1 A 96.310 1 ATOM 1564 C CA . ASN 197 197 ? A 12.453 13.024 7.062 1.000 1 A 96.310 1 ATOM 1565 C C . ASN 197 197 ? A 11.883 14.234 6.293 1.000 1 A 96.310 1 ATOM 1566 C CB . ASN 197 197 ? A 12.722 13.324 8.550 1.000 1 A 96.310 1 ATOM 1567 O O . ASN 197 197 ? A 11.215 15.093 6.872 1.000 1 A 96.310 1 ATOM 1568 C CG . ASN 197 197 ? A 13.195 12.116 9.337 1.000 1 A 96.310 1 ATOM 1569 N ND2 . ASN 197 197 ? A 14.069 12.306 10.295 1.000 1 A 96.310 1 ATOM 1570 O OD1 . ASN 197 197 ? A 12.790 10.991 9.118 1.000 1 A 96.310 1 ATOM 1571 N N . ARG 198 198 ? A 12.096 14.313 4.972 1.000 1 A 97.930 1 ATOM 1572 C CA . ARG 198 198 ? A 11.511 15.341 4.091 1.000 1 A 97.930 1 ATOM 1573 C C . ARG 198 198 ? A 10.066 14.986 3.733 1.000 1 A 97.930 1 ATOM 1574 C CB . ARG 198 198 ? A 12.380 15.592 2.846 1.000 1 A 97.930 1 ATOM 1575 O O . ARG 198 198 ? A 9.674 14.995 2.569 1.000 1 A 97.930 1 ATOM 1576 C CG . ARG 198 198 ? A 13.826 15.984 3.180 1.000 1 A 97.930 1 ATOM 1577 C CD . ARG 198 198 ? A 14.574 16.480 1.937 1.000 1 A 97.930 1 ATOM 1578 N NE . ARG 198 198 ? A 14.866 15.397 0.975 1.000 1 A 97.930 1 ATOM 1579 N NH1 . ARG 198 198 ? A 14.040 16.399 -0.930 1.000 1 A 97.930 1 ATOM 1580 N NH2 . ARG 198 198 ? A 15.145 14.470 -1.082 1.000 1 A 97.930 1 ATOM 1581 C CZ . ARG 198 198 ? A 14.678 15.430 -0.333 1.000 1 A 97.930 1 ATOM 1582 N N . TYR 199 199 ? A 9.255 14.651 4.733 1.000 1 A 97.810 1 ATOM 1583 C CA . TYR 199 199 ? A 7.902 14.129 4.528 1.000 1 A 97.810 1 ATOM 1584 C C . TYR 199 199 ? A 6.970 15.129 3.853 1.000 1 A 97.810 1 ATOM 1585 C CB . TYR 199 199 ? A 7.331 13.651 5.866 1.000 1 A 97.810 1 ATOM 1586 O O . TYR 199 199 ? A 6.155 14.723 3.034 1.000 1 A 97.810 1 ATOM 1587 C CG . TYR 199 199 ? A 8.174 12.585 6.537 1.000 1 A 97.810 1 ATOM 1588 C CD1 . TYR 199 199 ? A 8.667 11.503 5.781 1.000 1 A 97.810 1 ATOM 1589 C CD2 . TYR 199 199 ? A 8.479 12.676 7.908 1.000 1 A 97.810 1 ATOM 1590 C CE1 . TYR 199 199 ? A 9.431 10.502 6.397 1.000 1 A 97.810 1 ATOM 1591 C CE2 . TYR 199 199 ? A 9.248 11.669 8.526 1.000 1 A 97.810 1 ATOM 1592 O OH . TYR 199 199 ? A 10.354 9.532 8.367 1.000 1 A 97.810 1 ATOM 1593 C CZ . TYR 199 199 ? A 9.695 10.559 7.776 1.000 1 A 97.810 1 ATOM 1594 N N . GLU 200 200 ? A 7.146 16.428 4.094 1.000 1 A 98.030 1 ATOM 1595 C CA . GLU 200 200 ? A 6.420 17.468 3.357 1.000 1 A 98.030 1 ATOM 1596 C C . GLU 200 200 ? A 6.718 17.432 1.851 1.000 1 A 98.030 1 ATOM 1597 C CB . GLU 200 200 ? A 6.771 18.851 3.929 1.000 1 A 98.030 1 ATOM 1598 O O . GLU 200 200 ? A 5.811 17.638 1.043 1.000 1 A 98.030 1 ATOM 1599 C CG . GLU 200 200 ? A 6.176 19.088 5.326 1.000 1 A 98.030 1 ATOM 1600 C CD . GLU 200 200 ? A 4.641 18.981 5.349 1.000 1 A 98.030 1 ATOM 1601 O OE1 . GLU 200 200 ? A 4.111 18.497 6.372 1.000 1 A 98.030 1 ATOM 1602 O OE2 . GLU 200 200 ? A 4.011 19.363 4.334 1.000 1 A 98.030 1 ATOM 1603 N N . ASP 201 201 ? A 7.950 17.105 1.440 1.000 1 A 98.370 1 ATOM 1604 C CA . ASP 201 201 ? A 8.273 16.940 0.020 1.000 1 A 98.370 1 ATOM 1605 C C . ASP 201 201 ? A 7.550 15.719 -0.569 1.000 1 A 98.370 1 ATOM 1606 C CB . ASP 201 201 ? A 9.791 16.823 -0.224 1.000 1 A 98.370 1 ATOM 1607 O O . ASP 201 201 ? A 7.035 15.789 -1.685 1.000 1 A 98.370 1 ATOM 1608 C CG . ASP 201 201 ? A 10.604 18.109 -0.035 1.000 1 A 98.370 1 ATOM 1609 O OD1 . ASP 201 201 ? A 10.007 19.214 -0.038 1.000 1 A 98.370 1 ATOM 1610 O OD2 . ASP 201 201 ? A 11.855 17.978 -0.001 1.000 1 A 98.370 1 ATOM 1611 N N . VAL 202 202 ? A 7.456 14.622 0.191 1.000 1 A 98.410 1 ATOM 1612 C CA . VAL 202 202 ? A 6.758 13.390 -0.219 1.000 1 A 98.410 1 ATOM 1613 C C . VAL 202 202 ? A 5.240 13.593 -0.265 1.000 1 A 98.410 1 ATOM 1614 C CB . VAL 202 202 ? A 7.138 12.200 0.686 1.000 1 A 98.410 1 ATOM 1615 O O . VAL 202 202 ? A 4.587 13.180 -1.220 1.000 1 A 98.410 1 ATOM 1616 C CG1 . VAL 202 202 ? A 6.560 10.885 0.154 1.000 1 A 98.410 1 ATOM 1617 C CG2 . VAL 202 202 ? A 8.657 12.013 0.748 1.000 1 A 98.410 1 ATOM 1618 N N . ILE 203 203 ? A 4.659 14.299 0.706 1.000 1 A 98.370 1 ATOM 1619 C CA . ILE 203 203 ? A 3.238 14.680 0.706 1.000 1 A 98.370 1 ATOM 1620 C C . ILE 203 203 ? A 2.919 15.541 -0.526 1.000 1 A 98.370 1 ATOM 1621 C CB . ILE 203 203 ? A 2.894 15.393 2.037 1.000 1 A 98.370 1 ATOM 1622 O O . ILE 203 203 ? A 1.879 15.360 -1.162 1.000 1 A 98.370 1 ATOM 1623 C CG1 . ILE 203 203 ? A 2.943 14.386 3.212 1.000 1 A 98.370 1 ATOM 1624 C CG2 . ILE 203 203 ? A 1.500 16.045 1.989 1.000 1 A 98.370 1 ATOM 1625 C CD1 . ILE 203 203 ? A 2.992 15.049 4.595 1.000 1 A 98.370 1 ATOM 1626 N N . ASN 204 204 ? A 3.844 16.420 -0.921 1.000 1 A 98.130 1 ATOM 1627 C CA . ASN 204 204 ? A 3.726 17.292 -2.091 1.000 1 A 98.130 1 ATOM 1628 C C . ASN 204 204 ? A 4.432 16.735 -3.348 1.000 1 A 98.130 1 ATOM 1629 C CB . ASN 204 204 ? A 4.176 18.708 -1.698 1.000 1 A 98.130 1 ATOM 1630 O O . ASN 204 204 ? A 4.793 17.505 -4.250 1.000 1 A 98.130 1 ATOM 1631 C CG . ASN 204 204 ? A 3.263 19.320 -0.650 1.000 1 A 98.130 1 ATOM 1632 N ND2 . ASN 204 204 ? A 3.700 19.410 0.583 1.000 1 A 98.130 1 ATOM 1633 O OD1 . ASN 204 204 ? A 2.149 19.716 -0.946 1.000 1 A 98.130 1 ATOM 1634 N N . TRP 205 205 ? A 4.605 15.408 -3.438 1.000 1 A 97.540 1 ATOM 1635 C CA . TRP 205 205 ? A 5.396 14.723 -4.475 1.000 1 A 97.540 1 ATOM 1636 C C . TRP 205 205 ? A 5.083 15.173 -5.905 1.000 1 A 97.540 1 ATOM 1637 C CB . TRP 205 205 ? A 5.154 13.209 -4.405 1.000 1 A 97.540 1 ATOM 1638 O O . TRP 205 205 ? A 5.991 15.296 -6.721 1.000 1 A 97.540 1 ATOM 1639 C CG . TRP 205 205 ? A 3.774 12.785 -4.812 1.000 1 A 97.540 1 ATOM 1640 C CD1 . TRP 205 205 ? A 2.655 12.820 -4.053 1.000 1 A 97.540 1 ATOM 1641 C CD2 . TRP 205 205 ? A 3.349 12.346 -6.133 1.000 1 A 97.540 1 ATOM 1642 C CE2 . TRP 205 205 ? A 1.941 12.129 -6.111 1.000 1 A 97.540 1 ATOM 1643 C CE3 . TRP 205 205 ? A 4.019 12.162 -7.360 1.000 1 A 97.540 1 ATOM 1644 N NE1 . TRP 205 205 ? A 1.571 12.423 -4.814 1.000 1 A 97.540 1 ATOM 1645 C CH2 . TRP 205 205 ? A 1.926 11.551 -8.462 1.000 1 A 97.540 1 ATOM 1646 C CZ2 . TRP 205 205 ? A 1.232 11.729 -7.253 1.000 1 A 97.540 1 ATOM 1647 C CZ3 . TRP 205 205 ? A 3.314 11.777 -8.513 1.000 1 A 97.540 1 ATOM 1648 N N . SER 206 206 ? A 3.818 15.472 -6.214 1.000 1 A 95.430 1 ATOM 1649 C CA . SER 206 206 ? A 3.375 15.841 -7.565 1.000 1 A 95.430 1 ATOM 1650 C C . SER 206 206 ? A 4.039 17.116 -8.095 1.000 1 A 95.430 1 ATOM 1651 C CB . SER 206 206 ? A 1.853 15.992 -7.581 1.000 1 A 95.430 1 ATOM 1652 O O . SER 206 206 ? A 4.091 17.324 -9.309 1.000 1 A 95.430 1 ATOM 1653 O OG . SER 206 206 ? A 1.450 17.057 -6.739 1.000 1 A 95.430 1 ATOM 1654 N N . THR 207 207 ? A 4.558 17.956 -7.194 1.000 1 A 96.660 1 ATOM 1655 C CA . THR 207 207 ? A 5.286 19.195 -7.508 1.000 1 A 96.660 1 ATOM 1656 C C . THR 207 207 ? A 6.761 19.151 -7.114 1.000 1 A 96.660 1 ATOM 1657 C CB . THR 207 207 ? A 4.629 20.406 -6.830 1.000 1 A 96.660 1 ATOM 1658 O O . THR 207 207 ? A 7.556 19.906 -7.667 1.000 1 A 96.660 1 ATOM 1659 C CG2 . THR 207 207 ? A 3.163 20.583 -7.226 1.000 1 A 96.660 1 ATOM 1660 O OG1 . THR 207 207 ? A 4.687 20.310 -5.422 1.000 1 A 96.660 1 ATOM 1661 N N . LYS 208 208 ? A 7.130 18.289 -6.159 1.000 1 A 98.020 1 ATOM 1662 C CA . LYS 208 208 ? A 8.475 18.225 -5.569 1.000 1 A 98.020 1 ATOM 1663 C C . LYS 208 208 ? A 9.358 17.141 -6.175 1.000 1 A 98.020 1 ATOM 1664 C CB . LYS 208 208 ? A 8.336 17.999 -4.056 1.000 1 A 98.020 1 ATOM 1665 O O . LYS 208 208 ? A 10.576 17.306 -6.193 1.000 1 A 98.020 1 ATOM 1666 C CG . LYS 208 208 ? A 7.647 19.158 -3.324 1.000 1 A 98.020 1 ATOM 1667 C CD . LYS 208 208 ? A 8.528 20.406 -3.273 1.000 1 A 98.020 1 ATOM 1668 C CE . LYS 208 208 ? A 7.839 21.456 -2.406 1.000 1 A 98.020 1 ATOM 1669 N NZ . LYS 208 208 ? A 8.794 22.520 -2.031 1.000 1 A 98.020 1 ATOM 1670 N N . ALA 209 209 ? A 8.763 16.047 -6.647 1.000 1 A 97.750 1 ATOM 1671 C CA . ALA 209 209 ? A 9.507 14.931 -7.203 1.000 1 A 97.750 1 ATOM 1672 C C . ALA 209 209 ? A 9.983 15.243 -8.631 1.000 1 A 97.750 1 ATOM 1673 C CB . ALA 209 209 ? A 8.663 13.654 -7.156 1.000 1 A 97.750 1 ATOM 1674 O O . ALA 209 209 ? A 9.208 15.774 -9.440 1.000 1 A 97.750 1 ATOM 1675 N N . PRO 210 210 ? A 11.221 14.867 -8.993 1.000 1 A 97.820 1 ATOM 1676 C CA . PRO 210 210 ? A 11.643 14.889 -10.385 1.000 1 A 97.820 1 ATOM 1677 C C . PRO 210 210 ? A 10.758 13.927 -11.181 1.000 1 A 97.820 1 ATOM 1678 C CB . PRO 210 210 ? A 13.110 14.452 -10.366 1.000 1 A 97.820 1 ATOM 1679 O O . PRO 210 210 ? A 10.420 12.857 -10.699 1.000 1 A 97.820 1 ATOM 1680 C CG . PRO 210 210 ? A 13.190 13.530 -9.150 1.000 1 A 97.820 1 ATOM 1681 C CD . PRO 210 210 ? A 12.198 14.160 -8.174 1.000 1 A 97.820 1 ATOM 1682 N N . HIS 211 211 ? A 10.358 14.288 -12.400 1.000 1 A 97.560 1 ATOM 1683 C CA . HIS 211 211 ? A 9.572 13.409 -13.283 1.000 1 A 97.560 1 ATOM 1684 C C . HIS 211 211 ? A 8.226 12.925 -12.718 1.000 1 A 97.560 1 ATOM 1685 C CB . HIS 211 211 ? A 10.441 12.228 -13.754 1.000 1 A 97.560 1 ATOM 1686 O O . HIS 211 211 ? A 7.684 11.962 -13.248 1.000 1 A 97.560 1 ATOM 1687 C CG . HIS 211 211 ? A 11.780 12.664 -14.264 1.000 1 A 97.560 1 ATOM 1688 C CD2 . HIS 211 211 ? A 12.966 12.417 -13.649 1.000 1 A 97.560 1 ATOM 1689 N ND1 . HIS 211 211 ? A 11.993 13.447 -15.402 1.000 1 A 97.560 1 ATOM 1690 C CE1 . HIS 211 211 ? A 13.322 13.652 -15.438 1.000 1 A 97.560 1 ATOM 1691 N NE2 . HIS 211 211 ? A 13.924 13.043 -14.403 1.000 1 A 97.560 1 ATOM 1692 N N . ALA 212 212 ? A 7.641 13.586 -11.711 1.000 1 A 95.760 1 ATOM 1693 C CA . ALA 212 212 ? A 6.441 13.111 -11.007 1.000 1 A 95.760 1 ATOM 1694 C C . ALA 212 212 ? A 5.318 12.614 -11.936 1.000 1 A 95.760 1 ATOM 1695 C CB . ALA 212 212 ? A 5.929 14.243 -10.107 1.000 1 A 95.760 1 ATOM 1696 O O . ALA 212 212 ? A 4.878 11.474 -11.834 1.000 1 A 95.760 1 ATOM 1697 N N . ARG 213 213 ? A 4.909 13.433 -12.915 1.000 1 A 94.720 1 ATOM 1698 C CA . ARG 213 213 ? A 3.860 13.074 -13.893 1.000 1 A 94.720 1 ATOM 1699 C C . ARG 213 213 ? A 4.268 11.969 -14.867 1.000 1 A 94.720 1 ATOM 1700 C CB . ARG 213 213 ? A 3.453 14.306 -14.708 1.000 1 A 94.720 1 ATOM 1701 O O . ARG 213 213 ? A 3.408 11.313 -15.445 1.000 1 A 94.720 1 ATOM 1702 C CG . ARG 213 213 ? A 2.726 15.360 -13.870 1.000 1 A 94.720 1 ATOM 1703 C CD . ARG 213 213 ? A 2.249 16.481 -14.797 1.000 1 A 94.720 1 ATOM 1704 N NE . ARG 213 213 ? A 1.501 17.508 -14.050 1.000 1 A 94.720 1 ATOM 1705 N NH1 . ARG 213 213 ? A -0.409 17.565 -15.341 1.000 1 A 94.720 1 ATOM 1706 N NH2 . ARG 213 213 ? A -0.221 18.912 -13.575 1.000 1 A 94.720 1 ATOM 1707 C CZ . ARG 213 213 ? A 0.300 17.986 -14.329 1.000 1 A 94.720 1 ATOM 1708 N N . ARG 214 214 ? A 5.571 11.803 -15.104 1.000 1 A 96.620 1 ATOM 1709 C CA . ARG 214 214 ? A 6.100 10.721 -15.938 1.000 1 A 96.620 1 ATOM 1710 C C . ARG 214 214 ? A 6.166 9.421 -15.147 1.000 1 A 96.620 1 ATOM 1711 C CB . ARG 214 214 ? A 7.463 11.107 -16.526 1.000 1 A 96.620 1 ATOM 1712 O O . ARG 214 214 ? A 5.830 8.398 -15.721 1.000 1 A 96.620 1 ATOM 1713 C CG . ARG 214 214 ? A 8.005 10.010 -17.454 1.000 1 A 96.620 1 ATOM 1714 C CD . ARG 214 214 ? A 9.359 10.399 -18.047 1.000 1 A 96.620 1 ATOM 1715 N NE . ARG 214 214 ? A 9.827 9.350 -18.967 1.000 1 A 96.620 1 ATOM 1716 N NH1 . ARG 214 214 ? A 11.709 10.408 -19.757 1.000 1 A 96.620 1 ATOM 1717 N NH2 . ARG 214 214 ? A 11.161 8.355 -20.486 1.000 1 A 96.620 1 ATOM 1718 C CZ . ARG 214 214 ? A 10.900 9.384 -19.732 1.000 1 A 96.620 1 ATOM 1719 N N . ALA 215 215 ? A 6.554 9.463 -13.874 1.000 1 A 96.100 1 ATOM 1720 C CA . ALA 215 215 ? A 6.523 8.318 -12.971 1.000 1 A 96.100 1 ATOM 1721 C C . ALA 215 215 ? A 5.093 7.850 -12.698 1.000 1 A 96.100 1 ATOM 1722 C CB . ALA 215 215 ? A 7.231 8.717 -11.669 1.000 1 A 96.100 1 ATOM 1723 O O . ALA 215 215 ? A 4.842 6.652 -12.674 1.000 1 A 96.100 1 ATOM 1724 N N . HIS 216 216 ? A 4.168 8.796 -12.556 1.000 1 A 95.680 1 ATOM 1725 C CA . HIS 216 216 ? A 2.779 8.566 -12.178 1.000 1 A 95.680 1 ATOM 1726 C C . HIS 216 216 ? A 1.847 9.393 -13.070 1.000 1 A 95.680 1 ATOM 1727 C CB . HIS 216 216 ? A 2.649 8.923 -10.695 1.000 1 A 95.680 1 ATOM 1728 O O . HIS 216 216 ? A 1.504 10.530 -12.727 1.000 1 A 95.680 1 ATOM 1729 C CG . HIS 216 216 ? A 3.240 7.865 -9.813 1.000 1 A 95.680 1 ATOM 1730 C CD2 . HIS 216 216 ? A 4.460 7.902 -9.206 1.000 1 A 95.680 1 ATOM 1731 N ND1 . HIS 216 216 ? A 2.649 6.629 -9.582 1.000 1 A 95.680 1 ATOM 1732 C CE1 . HIS 216 216 ? A 3.513 5.946 -8.830 1.000 1 A 95.680 1 ATOM 1733 N NE2 . HIS 216 216 ? A 4.614 6.679 -8.595 1.000 1 A 95.680 1 ATOM 1734 N N . PRO 217 217 ? A 1.445 8.860 -14.242 1.000 1 A 92.990 1 ATOM 1735 C CA . PRO 217 217 ? A 0.430 9.493 -15.086 1.000 1 A 92.990 1 ATOM 1736 C C . PRO 217 217 ? A -0.918 9.663 -14.366 1.000 1 A 92.990 1 ATOM 1737 C CB . PRO 217 217 ? A 0.301 8.584 -16.313 1.000 1 A 92.990 1 ATOM 1738 O O . PRO 217 217 ? A -1.638 10.625 -14.634 1.000 1 A 92.990 1 ATOM 1739 C CG . PRO 217 217 ? A 1.652 7.870 -16.379 1.000 1 A 92.990 1 ATOM 1740 C CD . PRO 217 217 ? A 1.997 7.685 -14.904 1.000 1 A 92.990 1 ATOM 1741 N N . SER 218 218 ? A -1.227 8.749 -13.445 1.000 1 A 91.860 1 ATOM 1742 C CA . SER 218 218 ? A -2.277 8.841 -12.428 1.000 1 A 91.860 1 ATOM 1743 C C . SER 218 218 ? A -1.652 8.678 -11.038 1.000 1 A 91.860 1 ATOM 1744 C CB . SER 218 218 ? A -3.359 7.784 -12.668 1.000 1 A 91.860 1 ATOM 1745 O O . SER 218 218 ? A -0.568 8.120 -10.904 1.000 1 A 91.860 1 ATOM 1746 O OG . SER 218 218 ? A -2.809 6.486 -12.652 1.000 1 A 91.860 1 ATOM 1747 N N . SER 219 219 ? A -2.300 9.214 -10.002 1.000 1 A 92.930 1 ATOM 1748 C CA . SER 219 219 ? A -1.763 9.250 -8.632 1.000 1 A 92.930 1 ATOM 1749 C C . SER 219 219 ? A -2.039 7.982 -7.817 1.000 1 A 92.930 1 ATOM 1750 C CB . SER 219 219 ? A -2.353 10.465 -7.904 1.000 1 A 92.930 1 ATOM 1751 O O . SER 219 219 ? A -1.396 7.776 -6.789 1.000 1 A 92.930 1 ATOM 1752 O OG . SER 219 219 ? A -3.763 10.452 -8.024 1.000 1 A 92.930 1 ATOM 1753 N N . ASP 220 220 ? A -2.988 7.155 -8.257 1.000 1 A 92.010 1 ATOM 1754 C CA . ASP 220 220 ? A -3.538 5.999 -7.539 1.000 1 A 92.010 1 ATOM 1755 C C . ASP 220 220 ? A -2.476 5.096 -6.883 1.000 1 A 92.010 1 ATOM 1756 C CB . ASP 220 220 ? A -4.462 5.218 -8.494 1.000 1 A 92.010 1 ATOM 1757 O O . ASP 220 220 ? A -2.562 4.846 -5.685 1.000 1 A 92.010 1 ATOM 1758 C CG . ASP 220 220 ? A -3.874 5.041 -9.898 1.000 1 A 92.010 1 ATOM 1759 O OD1 . ASP 220 220 ? A -2.720 4.589 -10.015 1.000 1 A 92.010 1 ATOM 1760 O OD2 . ASP 220 220 ? A -4.480 5.517 -10.878 1.000 1 A 92.010 1 ATOM 1761 N N . HIS 221 221 ? A -1.425 4.694 -7.600 1.000 1 A 95.690 1 ATOM 1762 C CA . HIS 221 221 ? A -0.385 3.780 -7.107 1.000 1 A 95.690 1 ATOM 1763 C C . HIS 221 221 ? A 0.660 4.433 -6.187 1.000 1 A 95.690 1 ATOM 1764 C CB . HIS 221 221 ? A 0.275 3.080 -8.303 1.000 1 A 95.690 1 ATOM 1765 O O . HIS 221 221 ? A 1.425 3.721 -5.525 1.000 1 A 95.690 1 ATOM 1766 C CG . HIS 221 221 ? A -0.593 1.986 -8.865 1.000 1 A 95.690 1 ATOM 1767 C CD2 . HIS 221 221 ? A -0.380 0.639 -8.785 1.000 1 A 95.690 1 ATOM 1768 N ND1 . HIS 221 221 ? A -1.793 2.153 -9.506 1.000 1 A 95.690 1 ATOM 1769 C CE1 . HIS 221 221 ? A -2.312 0.957 -9.789 1.000 1 A 95.690 1 ATOM 1770 N NE2 . HIS 221 221 ? A -1.479 0.006 -9.359 1.000 1 A 95.690 1 ATOM 1771 N N . PHE 222 222 ? A 0.685 5.766 -6.089 1.000 1 A 97.700 1 ATOM 1772 C CA . PHE 222 222 ? A 1.527 6.482 -5.126 1.000 1 A 97.700 1 ATOM 1773 C C . PHE 222 222 ? A 0.794 6.756 -3.804 1.000 1 A 97.700 1 ATOM 1774 C CB . PHE 222 222 ? A 2.054 7.775 -5.761 1.000 1 A 97.700 1 ATOM 1775 O O . PHE 222 222 ? A 1.413 6.794 -2.742 1.000 1 A 97.700 1 ATOM 1776 C CG . PHE 222 222 ? A 3.221 8.373 -4.998 1.000 1 A 97.700 1 ATOM 1777 C CD1 . PHE 222 222 ? A 3.016 9.389 -4.047 1.000 1 A 97.700 1 ATOM 1778 C CD2 . PHE 222 222 ? A 4.520 7.876 -5.210 1.000 1 A 97.700 1 ATOM 1779 C CE1 . PHE 222 222 ? A 4.102 9.919 -3.328 1.000 1 A 97.700 1 ATOM 1780 C CE2 . PHE 222 222 ? A 5.608 8.413 -4.501 1.000 1 A 97.700 1 ATOM 1781 C CZ . PHE 222 222 ? A 5.400 9.440 -3.565 1.000 1 A 97.700 1 ATOM 1782 N N . MET 223 223 ? A -0.534 6.909 -3.833 1.000 1 A 98.140 1 ATOM 1783 C CA . MET 223 223 ? A -1.329 7.248 -2.644 1.000 1 A 98.140 1 ATOM 1784 C C . MET 223 223 ? A -1.197 6.258 -1.465 1.000 1 A 98.140 1 ATOM 1785 C CB . MET 223 223 ? A -2.805 7.422 -3.021 1.000 1 A 98.140 1 ATOM 1786 O O . MET 223 223 ? A -1.146 6.730 -0.324 1.000 1 A 98.140 1 ATOM 1787 C CG . MET 223 223 ? A -3.108 8.576 -3.986 1.000 1 A 98.140 1 ATOM 1788 S SD . MET 223 223 ? A -2.438 10.220 -3.574 1.000 1 A 98.140 1 ATOM 1789 C CE . MET 223 223 ? A -0.877 10.236 -4.473 1.000 1 A 98.140 1 ATOM 1790 N N . PRO 224 224 ? A -1.080 4.926 -1.669 1.000 1 A 98.760 1 ATOM 1791 C CA . PRO 224 224 ? A -0.878 3.980 -0.575 1.000 1 A 98.760 1 ATOM 1792 C C . PRO 224 224 ? A 0.372 4.260 0.262 1.000 1 A 98.760 1 ATOM 1793 C CB . PRO 224 224 ? A -0.791 2.604 -1.235 1.000 1 A 98.760 1 ATOM 1794 O O . PRO 224 224 ? A 0.358 4.008 1.466 1.000 1 A 98.760 1 ATOM 1795 C CG . PRO 224 224 ? A -1.612 2.755 -2.510 1.000 1 A 98.760 1 ATOM 1796 C CD . PRO 224 224 ? A -1.314 4.194 -2.905 1.000 1 A 98.760 1 ATOM 1797 N N . LEU 225 225 ? A 1.427 4.824 -0.341 1.000 1 A 98.740 1 ATOM 1798 C CA . LEU 225 225 ? A 2.653 5.203 0.367 1.000 1 A 98.740 1 ATOM 1799 C C . LEU 225 225 ? A 2.367 6.272 1.416 1.000 1 A 98.740 1 ATOM 1800 C CB . LEU 225 225 ? A 3.699 5.679 -0.659 1.000 1 A 98.740 1 ATOM 1801 O O . LEU 225 225 ? A 2.811 6.163 2.554 1.000 1 A 98.740 1 ATOM 1802 C CG . LEU 225 225 ? A 5.080 5.980 -0.048 1.000 1 A 98.740 1 ATOM 1803 C CD1 . LEU 225 225 ? A 6.167 5.696 -1.081 1.000 1 A 98.740 1 ATOM 1804 C CD2 . LEU 225 225 ? A 5.229 7.449 0.367 1.000 1 A 98.740 1 ATOM 1805 N N . LEU 226 226 ? A 1.585 7.286 1.046 1.000 1 A 98.730 1 ATOM 1806 C CA . LEU 226 226 ? A 1.236 8.393 1.934 1.000 1 A 98.730 1 ATOM 1807 C C . LEU 226 226 ? A 0.318 7.943 3.069 1.000 1 A 98.730 1 ATOM 1808 C CB . LEU 226 226 ? A 0.583 9.508 1.108 1.000 1 A 98.730 1 ATOM 1809 O O . LEU 226 226 ? A 0.445 8.437 4.188 1.000 1 A 98.730 1 ATOM 1810 C CG . LEU 226 226 ? A 1.521 10.095 0.042 1.000 1 A 98.730 1 ATOM 1811 C CD1 . LEU 226 226 ? A 0.765 11.137 -0.762 1.000 1 A 98.730 1 ATOM 1812 C CD2 . LEU 226 226 ? A 2.724 10.791 0.673 1.000 1 A 98.730 1 ATOM 1813 N N . ILE 227 227 ? A -0.572 6.983 2.800 1.000 1 A 98.800 1 ATOM 1814 C CA . ILE 227 227 ? A -1.420 6.381 3.832 1.000 1 A 98.800 1 ATOM 1815 C C . ILE 227 227 ? A -0.571 5.566 4.812 1.000 1 A 98.800 1 ATOM 1816 C CB . ILE 227 227 ? A -2.563 5.544 3.210 1.000 1 A 98.800 1 ATOM 1817 O O . ILE 227 227 ? A -0.723 5.742 6.019 1.000 1 A 98.800 1 ATOM 1818 C CG1 . ILE 227 227 ? A -3.491 6.474 2.398 1.000 1 A 98.800 1 ATOM 1819 C CG2 . ILE 227 227 ? A -3.349 4.834 4.332 1.000 1 A 98.800 1 ATOM 1820 C CD1 . ILE 227 227 ? A -4.611 5.806 1.594 1.000 1 A 98.800 1 ATOM 1821 N N . ALA 228 228 ? A 0.341 4.719 4.326 1.000 1 A 98.720 1 ATOM 1822 C CA . ALA 228 228 ? A 1.240 3.951 5.188 1.000 1 A 98.720 1 ATOM 1823 C C . ALA 228 228 ? A 2.136 4.875 6.032 1.000 1 A 98.720 1 ATOM 1824 C CB . ALA 228 228 ? A 2.051 2.986 4.317 1.000 1 A 98.720 1 ATOM 1825 O O . ALA 228 228 ? A 2.170 4.746 7.252 1.000 1 A 98.720 1 ATOM 1826 N N . LEU 229 229 ? A 2.755 5.884 5.411 1.000 1 A 98.680 1 ATOM 1827 C CA . LEU 229 229 ? A 3.567 6.885 6.105 1.000 1 A 98.680 1 ATOM 1828 C C . LEU 229 229 ? A 2.761 7.640 7.176 1.000 1 A 98.680 1 ATOM 1829 C CB . LEU 229 229 ? A 4.157 7.843 5.053 1.000 1 A 98.680 1 ATOM 1830 O O . LEU 229 229 ? A 3.232 7.823 8.294 1.000 1 A 98.680 1 ATOM 1831 C CG . LEU 229 229 ? A 4.992 8.994 5.642 1.000 1 A 98.680 1 ATOM 1832 C CD1 . LEU 229 229 ? A 6.231 8.510 6.392 1.000 1 A 98.680 1 ATOM 1833 C CD2 . LEU 229 229 ? A 5.419 9.949 4.526 1.000 1 A 98.680 1 ATOM 1834 N N . GLY 230 230 ? A 1.528 8.057 6.872 1.000 1 A 98.420 1 ATOM 1835 C CA . GLY 230 230 ? A 0.653 8.690 7.861 1.000 1 A 98.420 1 ATOM 1836 C C . GLY 230 230 ? A 0.275 7.743 9.000 1.000 1 A 98.420 1 ATOM 1837 O O . GLY 230 230 ? A 0.204 8.150 10.157 1.000 1 A 98.420 1 ATOM 1838 N N . ALA 231 231 ? A 0.061 6.466 8.706 1.000 1 A 98.490 1 ATOM 1839 C CA . ALA 231 231 ? A -0.295 5.472 9.708 1.000 1 A 98.490 1 ATOM 1840 C C . ALA 231 231 ? A 0.837 5.157 10.698 1.000 1 A 98.490 1 ATOM 1841 C CB . ALA 231 231 ? A -0.785 4.228 8.981 1.000 1 A 98.490 1 ATOM 1842 O O . ALA 231 231 ? A 0.561 4.661 11.789 1.000 1 A 98.490 1 ATOM 1843 N N . ALA 232 232 ? A 2.086 5.501 10.378 1.000 1 A 97.480 1 ATOM 1844 C CA . ALA 232 232 ? A 3.208 5.384 11.305 1.000 1 A 97.480 1 ATOM 1845 C C . ALA 232 232 ? A 3.062 6.274 12.558 1.000 1 A 97.480 1 ATOM 1846 C CB . ALA 232 232 ? A 4.476 5.703 10.525 1.000 1 A 97.480 1 ATOM 1847 O O . ALA 232 232 ? A 3.634 5.963 13.603 1.000 1 A 97.480 1 ATOM 1848 N N . GLY 233 233 ? A 2.229 7.320 12.500 1.000 1 A 95.670 1 ATOM 1849 C CA . GLY 233 233 ? A 1.913 8.169 13.647 1.000 1 A 95.670 1 ATOM 1850 C C . GLY 233 233 ? A 2.869 9.349 13.806 1.000 1 A 95.670 1 ATOM 1851 O O . GLY 233 233 ? A 3.282 9.960 12.821 1.000 1 A 95.670 1 ATOM 1852 N N . GLU 234 234 ? A 3.112 9.757 15.052 1.000 1 A 92.420 1 ATOM 1853 C CA . GLU 234 234 ? A 3.988 10.890 15.378 1.000 1 A 92.420 1 ATOM 1854 C C . GLU 234 234 ? A 5.461 10.529 15.241 1.000 1 A 92.420 1 ATOM 1855 C CB . GLU 234 234 ? A 3.673 11.465 16.768 1.000 1 A 92.420 1 ATOM 1856 O O . GLU 234 234 ? A 5.848 9.391 15.496 1.000 1 A 92.420 1 ATOM 1857 C CG . GLU 234 234 ? A 2.298 12.138 16.719 1.000 1 A 92.420 1 ATOM 1858 C CD . GLU 234 234 ? A 1.880 12.903 17.975 1.000 1 A 92.420 1 ATOM 1859 O OE1 . GLU 234 234 ? A 0.761 13.462 17.881 1.000 1 A 92.420 1 ATOM 1860 O OE2 . GLU 234 234 ? A 2.640 12.932 18.960 1.000 1 A 92.420 1 ATOM 1861 N N . GLU 235 235 ? A 6.249 11.522 14.820 1.000 1 A 91.830 1 ATOM 1862 C CA . GLU 235 235 ? A 7.693 11.401 14.590 1.000 1 A 91.830 1 ATOM 1863 C C . GLU 235 235 ? A 8.060 10.152 13.772 1.000 1 A 91.830 1 ATOM 1864 C CB . GLU 235 235 ? A 8.440 11.498 15.928 1.000 1 A 91.830 1 ATOM 1865 O O . GLU 235 235 ? A 8.815 9.301 14.248 1.000 1 A 91.830 1 ATOM 1866 C CG . GLU 235 235 ? A 8.137 12.821 16.649 1.000 1 A 91.830 1 ATOM 1867 C CD . GLU 235 235 ? A 8.923 12.992 17.956 1.000 1 A 91.830 1 ATOM 1868 O OE1 . GLU 235 235 ? A 8.871 14.122 18.491 1.000 1 A 91.830 1 ATOM 1869 O OE2 . GLU 235 235 ? A 9.570 12.021 18.409 1.000 1 A 91.830 1 ATOM 1870 N N . PRO 236 236 ? A 7.497 9.991 12.556 1.000 1 A 94.890 1 ATOM 1871 C CA . PRO 236 236 ? A 7.727 8.776 11.807 1.000 1 A 94.890 1 ATOM 1872 C C . PRO 236 236 ? A 9.190 8.670 11.371 1.000 1 A 94.890 1 ATOM 1873 C CB . PRO 236 236 ? A 6.732 8.791 10.648 1.000 1 A 94.890 1 ATOM 1874 O O . PRO 236 236 ? A 9.820 9.660 10.990 1.000 1 A 94.890 1 ATOM 1875 C CG . PRO 236 236 ? A 6.483 10.277 10.410 1.000 1 A 94.890 1 ATOM 1876 C CD . PRO 236 236 ? A 6.635 10.895 11.803 1.000 1 A 94.890 1 ATOM 1877 N N . THR 237 237 ? A 9.716 7.453 11.381 1.000 1 A 96.010 1 ATOM 1878 C CA . THR 237 237 ? A 11.022 7.090 10.826 1.000 1 A 96.010 1 ATOM 1879 C C . THR 237 237 ? A 10.820 6.146 9.656 1.000 1 A 96.010 1 ATOM 1880 C CB . THR 237 237 ? A 11.935 6.430 11.866 1.000 1 A 96.010 1 ATOM 1881 O O . THR 237 237 ? A 9.974 5.255 9.727 1.000 1 A 96.010 1 ATOM 1882 C CG2 . THR 237 237 ? A 12.291 7.395 12.994 1.000 1 A 96.010 1 ATOM 1883 O OG1 . THR 237 237 ? A 11.321 5.308 12.454 1.000 1 A 96.010 1 ATOM 1884 N N . SER 238 238 ? A 11.611 6.319 8.600 1.000 1 A 97.900 1 ATOM 1885 C CA . SER 238 238 ? A 11.482 5.531 7.373 1.000 1 A 97.900 1 ATOM 1886 C C . SER 238 238 ? A 12.742 4.725 7.084 1.000 1 A 97.900 1 ATOM 1887 C CB . SER 238 238 ? A 11.188 6.440 6.182 1.000 1 A 97.900 1 ATOM 1888 O O . SER 238 238 ? A 13.847 5.266 7.111 1.000 1 A 97.900 1 ATOM 1889 O OG . SER 238 238 ? A 10.070 7.272 6.419 1.000 1 A 97.900 1 ATOM 1890 N N . GLU 239 239 ? A 12.566 3.462 6.711 1.000 1 A 98.010 1 ATOM 1891 C CA . GLU 239 239 ? A 13.626 2.585 6.212 1.000 1 A 98.010 1 ATOM 1892 C C . GLU 239 239 ? A 13.220 2.013 4.851 1.000 1 A 98.010 1 ATOM 1893 C CB . GLU 239 239 ? A 13.905 1.468 7.230 1.000 1 A 98.010 1 ATOM 1894 O O . GLU 239 239 ? A 12.082 1.583 4.664 1.000 1 A 98.010 1 ATOM 1895 C CG . GLU 239 239 ? A 15.053 0.547 6.778 1.000 1 A 98.010 1 ATOM 1896 C CD . GLU 239 239 ? A 15.312 -0.636 7.723 1.000 1 A 98.010 1 ATOM 1897 O OE1 . GLU 239 239 ? A 16.172 -1.469 7.357 1.000 1 A 98.010 1 ATOM 1898 O OE2 . GLU 239 239 ? A 14.652 -0.720 8.780 1.000 1 A 98.010 1 ATOM 1899 N N . ARG 240 240 ? A 14.148 1.971 3.887 1.000 1 A 98.360 1 ATOM 1900 C CA . ARG 240 240 ? A 13.943 1.205 2.652 1.000 1 A 98.360 1 ATOM 1901 C C . ARG 240 240 ? A 14.344 -0.245 2.890 1.000 1 A 98.360 1 ATOM 1902 C CB . ARG 240 240 ? A 14.694 1.839 1.478 1.000 1 A 98.360 1 ATOM 1903 O O . ARG 240 240 ? A 15.528 -0.536 3.018 1.000 1 A 98.360 1 ATOM 1904 C CG . ARG 240 240 ? A 14.362 1.116 0.162 1.000 1 A 98.360 1 ATOM 1905 C CD . ARG 240 240 ? A 14.876 1.854 -1.079 1.000 1 A 98.360 1 ATOM 1906 N NE . ARG 240 240 ? A 16.348 1.911 -1.133 1.000 1 A 98.360 1 ATOM 1907 N NH1 . ARG 240 240 ? A 16.527 2.927 -3.200 1.000 1 A 98.360 1 ATOM 1908 N NH2 . ARG 240 240 ? A 18.364 2.467 -2.021 1.000 1 A 98.360 1 ATOM 1909 C CZ . ARG 240 240 ? A 17.065 2.432 -2.116 1.000 1 A 98.360 1 ATOM 1910 N N . ILE 241 241 ? A 13.359 -1.133 2.890 1.000 1 A 98.300 1 ATOM 1911 C CA . ILE 241 241 ? A 13.534 -2.562 3.190 1.000 1 A 98.300 1 ATOM 1912 C C . ILE 241 241 ? A 13.689 -3.429 1.937 1.000 1 A 98.300 1 ATOM 1913 C CB . ILE 241 241 ? A 12.392 -3.067 4.090 1.000 1 A 98.300 1 ATOM 1914 O O . ILE 241 241 ? A 14.117 -4.576 2.030 1.000 1 A 98.300 1 ATOM 1915 C CG1 . ILE 241 241 ? A 11.010 -2.877 3.428 1.000 1 A 98.300 1 ATOM 1916 C CG2 . ILE 241 241 ? A 12.477 -2.370 5.459 1.000 1 A 98.300 1 ATOM 1917 C CD1 . ILE 241 241 ? A 9.875 -3.574 4.178 1.000 1 A 98.300 1 ATOM 1918 N N . HIS 242 242 ? A 13.375 -2.882 0.759 1.000 1 A 98.440 1 ATOM 1919 C CA . HIS 242 242 ? A 13.637 -3.531 -0.525 1.000 1 A 98.440 1 ATOM 1920 C C . HIS 242 242 ? A 13.909 -2.511 -1.625 1.000 1 A 98.440 1 ATOM 1921 C CB . HIS 242 242 ? A 12.457 -4.418 -0.924 1.000 1 A 98.440 1 ATOM 1922 O O . HIS 242 242 ? A 13.351 -1.412 -1.624 1.000 1 A 98.440 1 ATOM 1923 C CG . HIS 242 242 ? A 12.753 -5.269 -2.126 1.000 1 A 98.440 1 ATOM 1924 C CD2 . HIS 242 242 ? A 11.960 -5.397 -3.224 1.000 1 A 98.440 1 ATOM 1925 N ND1 . HIS 242 242 ? A 13.907 -6.032 -2.307 1.000 1 A 98.440 1 ATOM 1926 C CE1 . HIS 242 242 ? A 13.759 -6.639 -3.492 1.000 1 A 98.440 1 ATOM 1927 N NE2 . HIS 242 242 ? A 12.617 -6.249 -4.077 1.000 1 A 98.440 1 ATOM 1928 N N . SER 243 243 ? A 14.746 -2.893 -2.586 1.000 1 A 97.330 1 ATOM 1929 C CA . SER 243 243 ? A 14.982 -2.136 -3.812 1.000 1 A 97.330 1 ATOM 1930 C C . SER 243 243 ? A 15.353 -3.097 -4.933 1.000 1 A 97.330 1 ATOM 1931 C CB . SER 243 243 ? A 16.086 -1.097 -3.604 1.000 1 A 97.330 1 ATOM 1932 O O . SER 243 243 ? A 16.328 -3.841 -4.853 1.000 1 A 97.330 1 ATOM 1933 O OG . SER 243 243 ? A 16.278 -0.308 -4.765 1.000 1 A 97.330 1 ATOM 1934 N N . SER 244 244 ? A 14.549 -3.084 -5.985 1.000 1 A 97.130 1 ATOM 1935 C CA . SER 244 244 ? A 14.835 -3.743 -7.254 1.000 1 A 97.130 1 ATOM 1936 C C . SER 244 244 ? A 14.037 -3.044 -8.349 1.000 1 A 97.130 1 ATOM 1937 C CB . SER 244 244 ? A 14.529 -5.245 -7.181 1.000 1 A 97.130 1 ATOM 1938 O O . SER 244 244 ? A 13.192 -2.194 -8.059 1.000 1 A 97.130 1 ATOM 1939 O OG . SER 244 244 ? A 13.194 -5.482 -6.808 1.000 1 A 97.130 1 ATOM 1940 N N . PHE 245 245 ? A 14.330 -3.373 -9.601 1.000 1 A 96.510 1 ATOM 1941 C CA . PHE 245 245 ? A 13.662 -2.784 -10.749 1.000 1 A 96.510 1 ATOM 1942 C C . PHE 245 245 ? A 13.282 -3.871 -11.738 1.000 1 A 96.510 1 ATOM 1943 C CB . PHE 245 245 ? A 14.562 -1.753 -11.430 1.000 1 A 96.510 1 ATOM 1944 O O . PHE 245 245 ? A 14.037 -4.822 -11.941 1.000 1 A 96.510 1 ATOM 1945 C CG . PHE 245 245 ? A 15.006 -0.605 -10.547 1.000 1 A 96.510 1 ATOM 1946 C CD1 . PHE 245 245 ? A 14.244 0.575 -10.484 1.000 1 A 96.510 1 ATOM 1947 C CD2 . PHE 245 245 ? A 16.189 -0.716 -9.791 1.000 1 A 96.510 1 ATOM 1948 C CE1 . PHE 245 245 ? A 14.661 1.638 -9.662 1.000 1 A 96.510 1 ATOM 1949 C CE2 . PHE 245 245 ? A 16.602 0.344 -8.964 1.000 1 A 96.510 1 ATOM 1950 C CZ . PHE 245 245 ? A 15.836 1.520 -8.899 1.000 1 A 96.510 1 ATOM 1951 N N . GLU 246 246 ? A 12.144 -3.687 -12.386 1.000 1 A 94.460 1 ATOM 1952 C CA . GLU 246 246 ? A 11.616 -4.603 -13.384 1.000 1 A 94.460 1 ATOM 1953 C C . GLU 246 246 ? A 11.137 -3.829 -14.612 1.000 1 A 94.460 1 ATOM 1954 C CB . GLU 246 246 ? A 10.490 -5.443 -12.776 1.000 1 A 94.460 1 ATOM 1955 O O . GLU 246 246 ? A 10.815 -2.640 -14.542 1.000 1 A 94.460 1 ATOM 1956 C CG . GLU 246 246 ? A 10.973 -6.346 -11.624 1.000 1 A 94.460 1 ATOM 1957 C CD . GLU 246 246 ? A 9.852 -7.230 -11.071 1.000 1 A 94.460 1 ATOM 1958 O OE1 . GLU 246 246 ? A 10.133 -8.017 -10.129 1.000 1 A 94.460 1 ATOM 1959 O OE2 . GLU 246 246 ? A 8.721 -7.118 -11.591 1.000 1 A 94.460 1 ATOM 1960 N N . LEU 247 247 ? A 11.110 -4.503 -15.764 1.000 1 A 92.710 1 ATOM 1961 C CA . LEU 247 247 ? A 10.544 -3.977 -17.014 1.000 1 A 92.710 1 ATOM 1962 C C . LEU 247 247 ? A 11.076 -2.584 -17.419 1.000 1 A 92.710 1 ATOM 1963 C CB . LEU 247 247 ? A 9.006 -4.023 -16.924 1.000 1 A 92.710 1 ATOM 1964 O O . LEU 247 247 ? A 10.343 -1.764 -17.972 1.000 1 A 92.710 1 ATOM 1965 C CG . LEU 247 247 ? A 8.403 -5.396 -16.573 1.000 1 A 92.710 1 ATOM 1966 C CD1 . LEU 247 247 ? A 6.884 -5.273 -16.465 1.000 1 A 92.710 1 ATOM 1967 C CD2 . LEU 247 247 ? A 8.724 -6.436 -17.645 1.000 1 A 92.710 1 ATOM 1968 N N . GLY 248 248 ? A 12.330 -2.284 -17.069 1.000 1 A 93.030 1 ATOM 1969 C CA . GLY 248 248 ? A 13.026 -1.023 -17.345 1.000 1 A 93.030 1 ATOM 1970 C C . GLY 248 248 ? A 12.574 0.190 -16.526 1.000 1 A 93.030 1 ATOM 1971 O O . GLY 248 248 ? A 13.391 1.071 -16.242 1.000 1 A 93.030 1 ATOM 1972 N N . THR 249 249 ? A 11.301 0.244 -16.120 1.000 1 A 94.850 1 ATOM 1973 C CA . THR 249 249 ? A 10.717 1.431 -15.478 1.000 1 A 94.850 1 ATOM 1974 C C . THR 249 249 ? A 9.914 1.187 -14.214 1.000 1 A 94.850 1 ATOM 1975 C CB . THR 249 249 ? A 9.879 2.271 -16.456 1.000 1 A 94.850 1 ATOM 1976 O O . THR 249 249 ? A 9.397 2.150 -13.646 1.000 1 A 94.850 1 ATOM 1977 C CG2 . THR 249 249 ? A 10.632 2.643 -17.730 1.000 1 A 94.850 1 ATOM 1978 O OG1 . THR 249 249 ? A 8.707 1.588 -16.830 1.000 1 A 94.850 1 ATOM 1979 N N . LEU 250 250 ? A 9.787 -0.058 -13.768 1.000 1 A 94.470 1 ATOM 1980 C CA . LEU 250 250 ? A 9.029 -0.417 -12.577 1.000 1 A 94.470 1 ATOM 1981 C C . LEU 250 250 ? A 9.984 -0.500 -11.384 1.000 1 A 94.470 1 ATOM 1982 C CB . LEU 250 250 ? A 8.312 -1.750 -12.866 1.000 1 A 94.470 1 ATOM 1983 O O . LEU 250 250 ? A 10.759 -1.446 -11.281 1.000 1 A 94.470 1 ATOM 1984 C CG . LEU 250 250 ? A 7.131 -2.059 -11.941 1.000 1 A 94.470 1 ATOM 1985 C CD1 . LEU 250 250 ? A 5.928 -1.193 -12.306 1.000 1 A 94.470 1 ATOM 1986 C CD2 . LEU 250 250 ? A 6.705 -3.510 -12.151 1.000 1 A 94.470 1 ATOM 1987 N N . SER 251 251 ? A 9.969 0.493 -10.494 1.000 1 A 96.850 1 ATOM 1988 C CA . SER 251 251 ? A 10.639 0.363 -9.199 1.000 1 A 96.850 1 ATOM 1989 C C . SER 251 251 ? A 9.787 -0.510 -8.286 1.000 1 A 96.850 1 ATOM 1990 C CB . SER 251 251 ? A 10.940 1.714 -8.544 1.000 1 A 96.850 1 ATOM 1991 O O . SER 251 251 ? A 8.612 -0.222 -8.051 1.000 1 A 96.850 1 ATOM 1992 O OG . SER 251 251 ? A 11.391 1.461 -7.224 1.000 1 A 96.850 1 ATOM 1993 N N . MET 252 252 ? A 10.415 -1.558 -7.759 1.000 1 A 97.380 1 ATOM 1994 C CA . MET 252 252 ? A 9.834 -2.496 -6.806 1.000 1 A 97.380 1 ATOM 1995 C C . MET 252 252 ? A 10.232 -2.145 -5.365 1.000 1 A 97.380 1 ATOM 1996 C CB . MET 252 252 ? A 10.199 -3.935 -7.198 1.000 1 A 97.380 1 ATOM 1997 O O . MET 252 252 ? A 10.345 -3.027 -4.517 1.000 1 A 97.380 1 ATOM 1998 C CG . MET 252 252 ? A 9.640 -4.344 -8.565 1.000 1 A 97.380 1 ATOM 1999 S SD . MET 252 252 ? A 7.833 -4.256 -8.706 1.000 1 A 97.380 1 ATOM 2000 C CE . MET 252 252 ? A 7.377 -5.701 -7.708 1.000 1 A 97.380 1 ATOM 2001 N N . ALA 253 253 ? A 10.514 -0.872 -5.072 1.000 1 A 97.990 1 ATOM 2002 C CA . ALA 253 253 ? A 10.925 -0.464 -3.735 1.000 1 A 97.990 1 ATOM 2003 C C . ALA 253 253 ? A 9.825 -0.719 -2.688 1.000 1 A 97.990 1 ATOM 2004 C CB . ALA 253 253 ? A 11.397 0.993 -3.750 1.000 1 A 97.990 1 ATOM 2005 O O . ALA 253 253 ? A 8.625 -0.596 -2.961 1.000 1 A 97.990 1 ATOM 2006 N N . ALA 254 254 ? A 10.263 -1.048 -1.474 1.000 1 A 98.650 1 ATOM 2007 C CA . ALA 254 254 ? A 9.410 -1.187 -0.302 1.000 1 A 98.650 1 ATOM 2008 C C . ALA 254 254 ? A 10.005 -0.421 0.880 1.000 1 A 98.650 1 ATOM 2009 C CB . ALA 254 254 ? A 9.200 -2.666 0.031 1.000 1 A 98.650 1 ATOM 2010 O O . ALA 254 254 ? A 11.228 -0.352 1.044 1.000 1 A 98.650 1 ATOM 2011 N N . PHE 255 255 ? A 9.129 0.133 1.712 1.000 1 A 98.700 1 ATOM 2012 C CA . PHE 255 255 ? A 9.493 0.962 2.851 1.000 1 A 98.700 1 ATOM 2013 C C . PHE 255 255 ? A 8.781 0.491 4.115 1.000 1 A 98.700 1 ATOM 2014 C CB . PHE 255 255 ? A 9.205 2.440 2.555 1.000 1 A 98.700 1 ATOM 2015 O O . PHE 255 255 ? A 7.597 0.147 4.084 1.000 1 A 98.700 1 ATOM 2016 C CG . PHE 255 255 ? A 10.017 3.014 1.407 1.000 1 A 98.700 1 ATOM 2017 C CD1 . PHE 255 255 ? A 11.263 3.618 1.651 1.000 1 A 98.700 1 ATOM 2018 C CD2 . PHE 255 255 ? A 9.531 2.942 0.088 1.000 1 A 98.700 1 ATOM 2019 C CE1 . PHE 255 255 ? A 12.007 4.155 0.585 1.000 1 A 98.700 1 ATOM 2020 C CE2 . PHE 255 255 ? A 10.281 3.459 -0.981 1.000 1 A 98.700 1 ATOM 2021 C CZ . PHE 255 255 ? A 11.521 4.072 -0.733 1.000 1 A 98.700 1 ATOM 2022 N N . ALA 256 256 ? A 9.514 0.497 5.219 1.000 1 A 98.410 1 ATOM 2023 C CA . ALA 256 256 ? A 8.990 0.350 6.563 1.000 1 A 98.410 1 ATOM 2024 C C . ALA 256 256 ? A 8.888 1.732 7.209 1.000 1 A 98.410 1 ATOM 2025 C CB . ALA 256 256 ? A 9.917 -0.576 7.350 1.000 1 A 98.410 1 ATOM 2026 O O . ALA 256 256 ? A 9.799 2.554 7.078 1.000 1 A 98.410 1 ATOM 2027 N N . PHE 257 257 ? A 7.784 1.972 7.907 1.000 1 A 98.220 1 ATOM 2028 C CA . PHE 257 257 ? A 7.556 3.186 8.669 1.000 1 A 98.220 1 ATOM 2029 C C . PHE 257 257 ? A 7.211 2.837 10.111 1.000 1 A 98.220 1 ATOM 2030 C CB . PHE 257 257 ? A 6.466 4.052 8.038 1.000 1 A 98.220 1 ATOM 2031 O O . PHE 257 257 ? A 6.184 2.204 10.394 1.000 1 A 98.220 1 ATOM 2032 C CG . PHE 257 257 ? A 6.582 4.270 6.553 1.000 1 A 98.220 1 ATOM 2033 C CD1 . PHE 257 257 ? A 7.592 5.105 6.060 1.000 1 A 98.220 1 ATOM 2034 C CD2 . PHE 257 257 ? A 5.687 3.644 5.668 1.000 1 A 98.220 1 ATOM 2035 C CE1 . PHE 257 257 ? A 7.713 5.321 4.679 1.000 1 A 98.220 1 ATOM 2036 C CE2 . PHE 257 257 ? A 5.796 3.877 4.287 1.000 1 A 98.220 1 ATOM 2037 C CZ . PHE 257 257 ? A 6.806 4.720 3.790 1.000 1 A 98.220 1 ATOM 2038 N N . ASP 258 258 ? A 8.066 3.304 11.009 1.000 1 A 94.630 1 ATOM 2039 C CA . ASP 258 258 ? A 7.850 3.291 12.449 1.000 1 A 94.630 1 ATOM 2040 C C . ASP 258 258 ? A 7.548 4.703 12.941 1.000 1 A 94.630 1 ATOM 2041 C CB . ASP 258 258 ? A 9.060 2.670 13.160 1.000 1 A 94.630 1 ATOM 2042 O O . ASP 258 258 ? A 7.682 5.677 12.208 1.000 1 A 94.630 1 ATOM 2043 C CG . ASP 258 258 ? A 9.056 1.149 13.039 1.000 1 A 94.630 1 ATOM 2044 O OD1 . ASP 258 258 ? A 7.986 0.547 13.302 1.000 1 A 94.630 1 ATOM 2045 O OD2 . ASP 258 258 ? A 10.117 0.581 12.727 1.000 1 A 94.630 1 ATOM 2046 N N . GLY 259 259 ? A 7.104 4.817 14.184 1.000 1 A 87.870 1 ATOM 2047 C CA . GLY 259 259 ? A 6.817 6.094 14.825 1.000 1 A 87.870 1 ATOM 2048 C C . GLY 259 259 ? A 6.438 5.879 16.280 1.000 1 A 87.870 1 ATOM 2049 O O . GLY 259 259 ? A 6.261 4.732 16.724 1.000 1 A 87.870 1 ATOM 2050 N N . ALA 260 260 ? A 6.294 6.973 17.025 1.000 1 A 79.840 1 ATOM 2051 C CA . ALA 260 260 ? A 5.932 6.929 18.435 1.000 1 A 79.840 1 ATOM 2052 C C . ALA 260 260 ? A 4.659 6.089 18.663 1.000 1 A 79.840 1 ATOM 2053 C CB . ALA 260 260 ? A 5.796 8.359 18.968 1.000 1 A 79.840 1 ATOM 2054 O O . ALA 260 260 ? A 3.780 5.968 17.797 1.000 1 A 79.840 1 ATOM 2055 N N . LYS 261 261 ? A 4.560 5.457 19.837 1.000 1 A 76.530 1 ATOM 2056 C CA . LYS 261 261 ? A 3.317 4.786 20.233 1.000 1 A 76.530 1 ATOM 2057 C C . LYS 261 261 ? A 2.239 5.842 20.421 1.000 1 A 76.530 1 ATOM 2058 C CB . LYS 261 261 ? A 3.492 3.956 21.509 1.000 1 A 76.530 1 ATOM 2059 O O . LYS 261 261 ? A 2.488 6.867 21.049 1.000 1 A 76.530 1 ATOM 2060 C CG . LYS 261 261 ? A 4.323 2.697 21.240 1.000 1 A 76.530 1 ATOM 2061 C CD . LYS 261 261 ? A 4.327 1.777 22.466 1.000 1 A 76.530 1 ATOM 2062 C CE . LYS 261 261 ? A 5.135 0.519 22.137 1.000 1 A 76.530 1 ATOM 2063 N NZ . LYS 261 261 ? A 5.158 -0.438 23.269 1.000 1 A 76.530 1 ATOM 2064 N N . SER 262 262 ? A 1.039 5.568 19.926 1.000 1 A 71.640 1 ATOM 2065 C CA . SER 262 262 ? A -0.100 6.454 20.135 1.000 1 A 71.640 1 ATOM 2066 C C . SER 262 262 ? A -0.389 6.530 21.633 1.000 1 A 71.640 1 ATOM 2067 C CB . SER 262 262 ? A -1.338 5.951 19.386 1.000 1 A 71.640 1 ATOM 2068 O O . SER 262 262 ? A -0.594 5.498 22.282 1.000 1 A 71.640 1 ATOM 2069 O OG . SER 262 262 ? A -1.032 5.619 18.047 1.000 1 A 71.640 1 ATOM 2070 N N . GLU 263 263 ? A -0.419 7.735 22.204 1.000 1 A 64.550 1 ATOM 2071 C CA . GLU 263 263 ? A -0.834 7.896 23.594 1.000 1 A 64.550 1 ATOM 2072 C C . GLU 263 263 ? A -2.258 7.349 23.753 1.000 1 A 64.550 1 ATOM 2073 C CB . GLU 263 263 ? A -0.778 9.361 24.046 1.000 1 A 64.550 1 ATOM 2074 O O . GLU 263 263 ? A -3.206 7.810 23.105 1.000 1 A 64.550 1 ATOM 2075 C CG . GLU 263 263 ? A 0.654 9.910 24.148 1.000 1 A 64.550 1 ATOM 2076 C CD . GLU 263 263 ? A 0.691 11.312 24.780 1.000 1 A 64.550 1 ATOM 2077 O OE1 . GLU 263 263 ? A 1.787 11.706 25.231 1.000 1 A 64.550 1 ATOM 2078 O OE2 . GLU 263 263 ? A -0.389 11.951 24.865 1.000 1 A 64.550 1 ATOM 2079 N N . LYS 264 264 ? A -2.436 6.358 24.636 1.000 1 A 51.180 1 ATOM 2080 C CA . LYS 264 264 ? A -3.773 5.995 25.105 1.000 1 A 51.180 1 ATOM 2081 C C . LYS 264 264 ? A -4.299 7.207 25.861 1.000 1 A 51.180 1 ATOM 2082 C CB . LYS 264 264 ? A -3.755 4.749 26.011 1.000 1 A 51.180 1 ATOM 2083 O O . LYS 264 264 ? A -4.010 7.353 27.045 1.000 1 A 51.180 1 ATOM 2084 C CG . LYS 264 264 ? A -3.577 3.437 25.238 1.000 1 A 51.180 1 ATOM 2085 C CD . LYS 264 264 ? A -3.707 2.239 26.191 1.000 1 A 51.180 1 ATOM 2086 C CE . LYS 264 264 ? A -3.534 0.929 25.415 1.000 1 A 51.180 1 ATOM 2087 N NZ . LYS 264 264 ? A -3.686 -0.258 26.292 1.000 1 A 51.180 1 ATOM 2088 N N . LYS 265 265 ? A -5.078 8.069 25.201 1.000 1 A 46.200 1 ATOM 2089 C CA . LYS 265 265 ? A -5.903 9.048 25.911 1.000 1 A 46.200 1 ATOM 2090 C C . LYS 265 265 ? A -6.812 8.255 26.843 1.000 1 A 46.200 1 ATOM 2091 C CB . LYS 265 265 ? A -6.694 9.952 24.947 1.000 1 A 46.200 1 ATOM 2092 O O . LYS 265 265 ? A -7.800 7.671 26.395 1.000 1 A 46.200 1 ATOM 2093 C CG . LYS 265 265 ? A -5.806 11.075 24.393 1.000 1 A 46.200 1 ATOM 2094 C CD . LYS 265 265 ? A -6.600 12.099 23.569 1.000 1 A 46.200 1 ATOM 2095 C CE . LYS 265 265 ? A -5.627 13.202 23.130 1.000 1 A 46.200 1 ATOM 2096 N NZ . LYS 265 265 ? A -6.286 14.291 22.368 1.000 1 A 46.200 1 ATOM 2097 N N . GLN 266 266 ? A -6.432 8.179 28.120 1.000 1 A 36.300 1 ATOM 2098 C CA . GLN 266 266 ? A -7.305 7.710 29.183 1.000 1 A 36.300 1 ATOM 2099 C C . GLN 266 266 ? A -8.578 8.535 29.061 1.000 1 A 36.300 1 ATOM 2100 C CB . GLN 266 266 ? A -6.645 7.886 30.561 1.000 1 A 36.300 1 ATOM 2101 O O . GLN 266 266 ? A -8.564 9.755 29.201 1.000 1 A 36.300 1 ATOM 2102 C CG . GLN 266 266 ? A -5.731 6.703 30.916 1.000 1 A 36.300 1 ATOM 2103 C CD . GLN 266 266 ? A -4.966 6.901 32.225 1.000 1 A 36.300 1 ATOM 2104 N NE2 . GLN 266 266 ? A -4.325 5.878 32.744 1.000 1 A 36.300 1 ATOM 2105 O OE1 . GLN 266 266 ? A -4.908 7.970 32.803 1.000 1 A 36.300 1 ATOM 2106 N N . SER 267 267 ? A -9.661 7.864 28.689 1.000 1 A 39.780 1 ATOM 2107 C CA . SER 267 267 ? A -10.985 8.448 28.790 1.000 1 A 39.780 1 ATOM 2108 C C . SER 267 267 ? A -11.282 8.472 30.281 1.000 1 A 39.780 1 ATOM 2109 C CB . SER 267 267 ? A -11.990 7.615 27.990 1.000 1 A 39.780 1 ATOM 2110 O O . SER 267 267 ? A -11.653 7.452 30.850 1.000 1 A 39.780 1 ATOM 2111 O OG . SER 267 267 ? A -11.543 7.534 26.645 1.000 1 A 39.780 1 ATOM 2112 N N . SER 268 268 ? A -10.985 9.592 30.930 1.000 1 A 38.710 1 ATOM 2113 C CA . SER 268 268 ? A -11.472 9.882 32.268 1.000 1 A 38.710 1 ATOM 2114 C C . SER 268 268 ? A -12.986 10.061 32.181 1.000 1 A 38.710 1 ATOM 2115 C CB . SER 268 268 ? A -10.773 11.120 32.857 1.000 1 A 38.710 1 ATOM 2116 O O . SER 268 268 ? A -13.472 11.076 31.679 1.000 1 A 38.710 1 ATOM 2117 O OG . SER 268 268 ? A -10.209 11.968 31.864 1.000 1 A 38.710 1 ATOM 2118 N N . VAL 269 269 ? A -13.710 9.043 32.641 1.000 1 A 39.270 1 ATOM 2119 C CA . VAL 269 269 ? A -15.071 9.151 33.175 1.000 1 A 39.270 1 ATOM 2120 C C . VAL 269 269 ? A -15.066 8.454 34.522 1.000 1 A 39.270 1 ATOM 2121 C CB . VAL 269 269 ? A -16.143 8.572 32.243 1.000 1 A 39.270 1 ATOM 2122 O O . VAL 269 269 ? A -14.552 7.313 34.571 1.000 1 A 39.270 1 ATOM 2123 C CG1 . VAL 269 269 ? A -17.538 8.824 32.833 1.000 1 A 39.270 1 ATOM 2124 C CG2 . VAL 269 269 ? A -16.100 9.232 30.859 1.000 1 A 39.270 1 ATOM 2125 O OXT . VAL 269 269 ? A -15.510 9.121 35.474 1.000 1 A 39.270 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-ornl-sphdiv-16319 https://modelarchive.org/api/projects/ma-ornl-sphdiv-16319?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 1 1 ma-ornl-sphdiv-16319_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error' 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 . pLDDT local . 1 2 pLDDT . pLDDT global . 1 3 PAE . PAE local-pairwise . 1 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 2 95.080 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 1 90.140 2 1 A 2 THR 1 94.750 3 1 A 3 THR 1 98.220 4 1 A 4 PHE 1 98.710 5 1 A 5 TYR 1 98.810 6 1 A 6 VAL 1 98.700 7 1 A 7 SER 1 97.900 8 1 A 8 HIS 1 96.740 9 1 A 9 GLY 1 93.600 10 1 A 10 SER 1 92.500 11 1 A 11 PRO 1 92.400 12 1 A 12 MET 1 94.120 13 1 A 13 GLN 1 93.420 14 1 A 14 ALA 1 91.200 15 1 A 15 PHE 1 92.860 16 1 A 16 GLU 1 92.350 17 1 A 17 ASN 1 94.300 18 1 A 18 THR 1 95.530 19 1 A 19 PRO 1 97.230 20 1 A 20 ALA 1 97.090 21 1 A 21 THR 1 97.240 22 1 A 22 ASP 1 97.790 23 1 A 23 PHE 1 98.210 24 1 A 24 PHE 1 98.300 25 1 A 25 LYS 1 97.890 26 1 A 26 GLU 1 97.600 27 1 A 27 PHE 1 97.730 28 1 A 28 SER 1 94.050 29 1 A 29 LYS 1 95.090 30 1 A 30 ARG 1 96.010 31 1 A 31 HIS 1 95.910 32 1 A 32 MET 1 94.640 33 1 A 33 HIS 1 89.220 34 1 A 34 GLU 1 92.820 35 1 A 35 ARG 1 95.820 36 1 A 36 PRO 1 97.950 37 1 A 37 LYS 1 98.400 38 1 A 38 ALA 1 98.710 39 1 A 39 VAL 1 98.810 40 1 A 40 ILE 1 98.860 41 1 A 41 ALA 1 98.780 42 1 A 42 ILE 1 98.820 43 1 A 43 SER 1 98.110 44 1 A 44 GLY 1 97.210 45 1 A 45 HIS 1 97.680 46 1 A 46 TRP 1 98.040 47 1 A 47 ASP 1 97.610 48 1 A 48 THR 1 98.310 49 1 A 49 ALA 1 97.740 50 1 A 50 VAL 1 98.400 51 1 A 51 PRO 1 98.680 52 1 A 52 SER 1 98.810 53 1 A 53 VAL 1 98.660 54 1 A 54 THR 1 98.350 55 1 A 55 VAL 1 97.520 56 1 A 56 ALA 1 93.610 57 1 A 57 SER 1 94.720 58 1 A 58 ARG 1 96.360 59 1 A 59 ASN 1 97.670 60 1 A 60 SER 1 97.240 61 1 A 61 THR 1 97.810 62 1 A 62 ILE 1 97.280 63 1 A 63 HIS 1 97.130 64 1 A 64 ASP 1 95.420 65 1 A 65 PHE 1 94.290 66 1 A 66 TYR 1 94.500 67 1 A 67 GLY 1 93.340 68 1 A 68 PHE 1 94.190 69 1 A 69 PRO 1 95.320 70 1 A 70 LYS 1 96.040 71 1 A 71 GLU 1 95.790 72 1 A 72 LEU 1 95.290 73 1 A 73 TYR 1 96.600 74 1 A 74 GLU 1 95.920 75 1 A 75 LEU 1 96.040 76 1 A 76 GLU 1 96.780 77 1 A 77 TYR 1 97.810 78 1 A 78 THR 1 97.160 79 1 A 79 ALA 1 98.170 80 1 A 80 PRO 1 98.480 81 1 A 81 GLY 1 98.260 82 1 A 82 ALA 1 98.290 83 1 A 83 PRO 1 97.970 84 1 A 84 GLU 1 98.030 85 1 A 85 LEU 1 98.610 86 1 A 86 ALA 1 98.460 87 1 A 87 LYS 1 98.150 88 1 A 88 ARG 1 98.470 89 1 A 89 VAL 1 98.770 90 1 A 90 LYS 1 98.720 91 1 A 91 GLU 1 98.640 92 1 A 92 LEU 1 98.760 93 1 A 93 LEU 1 98.790 94 1 A 94 LEU 1 98.660 95 1 A 95 LYS 1 98.530 96 1 A 96 ALA 1 97.980 97 1 A 97 GLY 1 98.110 98 1 A 98 PHE 1 98.230 99 1 A 99 LYS 1 97.130 100 1 A 100 THR 1 97.860 101 1 A 101 VAL 1 98.530 102 1 A 102 VAL 1 98.550 103 1 A 103 GLU 1 98.330 104 1 A 104 ASP 1 97.830 105 1 A 105 ASN 1 94.350 106 1 A 106 LYS 1 92.180 107 1 A 107 ARG 1 95.720 108 1 A 108 GLY 1 95.980 109 1 A 109 LEU 1 97.660 110 1 A 110 ASP 1 98.130 111 1 A 111 HIS 1 97.520 112 1 A 112 GLY 1 97.520 113 1 A 113 ALA 1 97.990 114 1 A 114 TRP 1 97.880 115 1 A 115 MET 1 97.390 116 1 A 116 PRO 1 97.820 117 1 A 117 LEU 1 98.310 118 1 A 118 LEU 1 98.020 119 1 A 119 LEU 1 97.660 120 1 A 120 MET 1 97.750 121 1 A 121 TYR 1 97.800 122 1 A 122 PRO 1 96.910 123 1 A 123 GLU 1 97.340 124 1 A 124 ALA 1 97.620 125 1 A 125 ASP 1 97.510 126 1 A 126 ILE 1 98.460 127 1 A 127 PRO 1 98.720 128 1 A 128 VAL 1 98.800 129 1 A 129 ILE 1 98.760 130 1 A 130 GLN 1 98.610 131 1 A 131 LEU 1 98.810 132 1 A 132 SER 1 98.720 133 1 A 133 VAL 1 98.560 134 1 A 134 GLN 1 98.120 135 1 A 135 SER 1 94.470 136 1 A 136 SER 1 95.580 137 1 A 137 LYS 1 97.470 138 1 A 138 ASP 1 97.130 139 1 A 139 GLY 1 97.970 140 1 A 140 ALA 1 98.360 141 1 A 141 HIS 1 98.580 142 1 A 142 HIS 1 98.720 143 1 A 143 TYR 1 98.730 144 1 A 144 LYS 1 98.630 145 1 A 145 LEU 1 98.570 146 1 A 146 GLY 1 98.600 147 1 A 147 ARG 1 98.480 148 1 A 148 ALA 1 98.510 149 1 A 149 LEU 1 98.420 150 1 A 150 ALA 1 97.950 151 1 A 151 SER 1 97.240 152 1 A 152 LEU 1 98.030 153 1 A 153 LYS 1 94.980 154 1 A 154 ASP 1 94.590 155 1 A 155 GLU 1 96.400 156 1 A 156 GLY 1 96.850 157 1 A 157 TYR 1 98.400 158 1 A 158 LEU 1 98.610 159 1 A 159 ILE 1 98.810 160 1 A 160 LEU 1 98.870 161 1 A 161 GLY 1 98.810 162 1 A 162 SER 1 98.600 163 1 A 163 GLY 1 96.990 164 1 A 164 THR 1 93.440 165 1 A 165 THR 1 91.600 166 1 A 166 THR 1 94.320 167 1 A 167 HIS 1 92.920 168 1 A 168 ASN 1 93.390 169 1 A 169 LEU 1 88.150 170 1 A 170 ARG 1 90.940 171 1 A 171 GLN 1 91.470 172 1 A 172 LEU 1 90.840 173 1 A 173 ASP 1 89.810 174 1 A 174 ARG 1 86.420 175 1 A 175 ASN 1 89.610 176 1 A 176 ALA 1 90.420 177 1 A 177 THR 1 88.790 178 1 A 178 GLY 1 92.080 179 1 A 179 VAL 1 95.280 180 1 A 180 GLU 1 96.740 181 1 A 181 PRO 1 96.820 182 1 A 182 TRP 1 96.640 183 1 A 183 VAL 1 97.260 184 1 A 184 LYS 1 97.250 185 1 A 185 GLU 1 98.230 186 1 A 186 PHE 1 98.390 187 1 A 187 ASP 1 98.110 188 1 A 188 GLN 1 98.310 189 1 A 189 TRP 1 98.630 190 1 A 190 LEU 1 98.620 191 1 A 191 TYR 1 98.530 192 1 A 192 GLU 1 98.500 193 1 A 193 SER 1 98.560 194 1 A 194 LEU 1 98.330 195 1 A 195 THR 1 97.160 196 1 A 196 ASN 1 97.400 197 1 A 197 ASN 1 96.310 198 1 A 198 ARG 1 97.930 199 1 A 199 TYR 1 97.810 200 1 A 200 GLU 1 98.030 201 1 A 201 ASP 1 98.370 202 1 A 202 VAL 1 98.410 203 1 A 203 ILE 1 98.370 204 1 A 204 ASN 1 98.130 205 1 A 205 TRP 1 97.540 206 1 A 206 SER 1 95.430 207 1 A 207 THR 1 96.660 208 1 A 208 LYS 1 98.020 209 1 A 209 ALA 1 97.750 210 1 A 210 PRO 1 97.820 211 1 A 211 HIS 1 97.560 212 1 A 212 ALA 1 95.760 213 1 A 213 ARG 1 94.720 214 1 A 214 ARG 1 96.620 215 1 A 215 ALA 1 96.100 216 1 A 216 HIS 1 95.680 217 1 A 217 PRO 1 92.990 218 1 A 218 SER 1 91.860 219 1 A 219 SER 1 92.930 220 1 A 220 ASP 1 92.010 221 1 A 221 HIS 1 95.690 222 1 A 222 PHE 1 97.700 223 1 A 223 MET 1 98.140 224 1 A 224 PRO 1 98.760 225 1 A 225 LEU 1 98.740 226 1 A 226 LEU 1 98.730 227 1 A 227 ILE 1 98.800 228 1 A 228 ALA 1 98.720 229 1 A 229 LEU 1 98.680 230 1 A 230 GLY 1 98.420 231 1 A 231 ALA 1 98.490 232 1 A 232 ALA 1 97.480 233 1 A 233 GLY 1 95.670 234 1 A 234 GLU 1 92.420 235 1 A 235 GLU 1 91.830 236 1 A 236 PRO 1 94.890 237 1 A 237 THR 1 96.010 238 1 A 238 SER 1 97.900 239 1 A 239 GLU 1 98.010 240 1 A 240 ARG 1 98.360 241 1 A 241 ILE 1 98.300 242 1 A 242 HIS 1 98.440 243 1 A 243 SER 1 97.330 244 1 A 244 SER 1 97.130 245 1 A 245 PHE 1 96.510 246 1 A 246 GLU 1 94.460 247 1 A 247 LEU 1 92.710 248 1 A 248 GLY 1 93.030 249 1 A 249 THR 1 94.850 250 1 A 250 LEU 1 94.470 251 1 A 251 SER 1 96.850 252 1 A 252 MET 1 97.380 253 1 A 253 ALA 1 97.990 254 1 A 254 ALA 1 98.650 255 1 A 255 PHE 1 98.700 256 1 A 256 ALA 1 98.410 257 1 A 257 PHE 1 98.220 258 1 A 258 ASP 1 94.630 259 1 A 259 GLY 1 87.870 260 1 A 260 ALA 1 79.840 261 1 A 261 LYS 1 76.530 262 1 A 262 SER 1 71.640 263 1 A 263 GLU 1 64.550 264 1 A 264 LYS 1 51.180 265 1 A 265 LYS 1 46.200 266 1 A 266 GLN 1 36.300 267 1 A 267 SER 1 39.780 268 1 A 268 SER 1 38.710 269 1 A 269 VAL 1 39.270 _database_2.database_id ModelArchive _database_2.database_code ma-ornl-sphdiv-16319 _database_2.pdbx_DOI 10.5452/ma-ornl-sphdiv-16319 _pdbx_database_status.entry_id ma-ornl-sphdiv-16319 _pdbx_database_status.date_coordinates 2022-09-29:00:28 _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 1 Dr. Mu Gao . mu.gao@gatech.edu 'Center for the Study of Systems Biology, Georgia Institute of Technology, Atlanta, GA USA' . . 7 Dr. Ada Sedova . sedovaaa@ornl.gov 'Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN USA' . . 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 2022-09-28 2 'Structure model' 1 1 2023-06-08 3 'Structure model' 1 2 2023-06-22 4 'Structure model' 1 3 2023-07-17 5 'Structure model' 1 4 2023-07-23 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' ? 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' 'Database references' 2 2 'Structure model' 'Source and taxonomy' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' Other 5 5 'Structure model' Other 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' ma_target_ref_db_details 2 3 'Structure model' audit_conform 3 4 'Structure model' ma_associated_archive_file_details 4 5 'Structure model' exptl 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' '_ma_target_ref_db_details.ncbi_taxonomy_id' 2 2 'Structure model' '_ma_target_ref_db_details.organism_scientific' 3 3 'Structure model' '_audit_conform.dict_location' 4 3 'Structure model' '_audit_conform.dict_version' 5 4 'Structure model' '_ma_associated_archive_file_details.file_path' 6 5 'Structure model' '_exptl.entry_id' 7 5 'Structure model' '_exptl.method'