# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb12594 # _entry.id spkb12594 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n PHE 2 1 n LEU 3 1 n GLN 4 1 n ASN 5 1 n ILE 6 1 n LEU 7 1 n SER 8 1 n VAL 9 1 n LEU 10 1 n ALA 11 1 n PHE 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n ILE 16 1 n ASP 17 1 n ALA 18 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-06 16:54:26)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 95.07 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 87.05 1 1 A PHE 2 2 92.00 1 2 A LEU 3 2 94.93 1 3 A GLN 4 2 93.70 1 4 A ASN 5 2 95.33 1 5 A ILE 6 2 97.23 1 6 A LEU 7 2 96.57 1 7 A SER 8 2 96.77 1 8 A VAL 9 2 97.51 1 9 A LEU 10 2 96.13 1 10 A ALA 11 2 97.96 1 11 A PHE 12 2 95.44 1 12 A ALA 13 2 98.22 1 13 A LEU 14 2 96.49 1 14 A LEU 15 2 96.27 1 15 A ILE 16 2 96.59 1 16 A ASP 17 2 94.28 1 17 A ALA 18 2 92.21 1 18 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n PHE . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n ALA . 18 A 18 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -11.312 0.717 8.540 1.00 91.30 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.184 1.480 7.989 1.00 92.92 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.360 0.644 7.010 1.00 94.24 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.130 0.628 7.066 1.00 92.64 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.277 1.958 9.124 1.00 88.15 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.760 3.241 9.758 1.00 83.57 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.655 3.797 11.059 1.00 80.45 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.258 5.462 11.301 1.00 73.14 1 A 1 ATOM 9 N N . PHE A 1 2 ? -10.060 -0.042 6.125 1.00 92.71 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -9.390 -0.894 5.147 1.00 95.36 2 A 1 ATOM 11 C C . PHE A 1 2 ? -8.684 -0.060 4.077 1.00 97.09 2 A 1 ATOM 12 O O . PHE A 1 2 ? -7.570 -0.379 3.661 1.00 96.93 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -10.415 -1.831 4.499 1.00 93.99 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -9.773 -2.891 3.654 1.00 92.00 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -9.056 -3.913 4.247 1.00 90.07 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -9.891 -2.856 2.279 1.00 89.81 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -8.454 -4.896 3.482 1.00 88.79 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -9.289 -3.835 1.500 1.00 87.85 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -8.573 -4.854 2.103 1.00 87.45 2 A 1 ATOM 20 N N . LEU A 1 3 ? -9.342 1.015 3.635 1.00 96.54 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -8.772 1.891 2.608 1.00 97.17 3 A 1 ATOM 22 C C . LEU A 1 3 ? -7.460 2.515 3.077 1.00 97.64 3 A 1 ATOM 23 O O . LEU A 1 3 ? -6.479 2.579 2.335 1.00 97.61 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -9.778 2.990 2.241 1.00 96.85 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -10.440 2.832 0.878 1.00 93.70 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -9.410 2.919 -0.228 1.00 90.58 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -11.181 1.504 0.811 1.00 89.37 3 A 1 ATOM 28 N N . GLN A 1 4 ? -7.452 2.983 4.306 1.00 97.57 4 A 1 ATOM 29 C CA . GLN A 1 4 ? -6.260 3.606 4.884 1.00 97.74 4 A 1 ATOM 30 C C . GLN A 1 4 ? -5.096 2.622 4.954 1.00 98.07 4 A 1 ATOM 31 O O . GLN A 1 4 ? -3.944 2.992 4.735 1.00 97.69 4 A 1 ATOM 32 C CB . GLN A 1 4 ? -6.569 4.136 6.288 1.00 97.18 4 A 1 ATOM 33 C CG . GLN A 1 4 ? -6.365 5.642 6.393 1.00 93.29 4 A 1 ATOM 34 C CD . GLN A 1 4 ? -4.898 6.020 6.317 1.00 91.35 4 A 1 ATOM 35 O OE1 . GLN A 1 4 ? -4.057 5.401 6.963 1.00 86.70 4 A 1 ATOM 36 N NE2 . GLN A 1 4 ? -4.583 7.043 5.556 1.00 83.72 4 A 1 ATOM 37 N N . ASN A 1 5 ? -5.405 1.366 5.250 1.00 97.60 5 A 1 ATOM 38 C CA . ASN A 1 5 ? -4.383 0.319 5.327 1.00 97.97 5 A 1 ATOM 39 C C . ASN A 1 5 ? -3.691 0.121 3.981 1.00 98.26 5 A 1 ATOM 40 O O . ASN A 1 5 ? -2.464 0.024 3.912 1.00 97.99 5 A 1 ATOM 41 C CB . ASN A 1 5 ? -5.014 -0.998 5.789 1.00 97.58 5 A 1 ATOM 42 C CG . ASN A 1 5 ? -5.265 -1.012 7.284 1.00 94.14 5 A 1 ATOM 43 O OD1 . ASN A 1 5 ? -6.126 -0.306 7.785 1.00 89.78 5 A 1 ATOM 44 N ND2 . ASN A 1 5 ? -4.516 -1.820 8.009 1.00 89.30 5 A 1 ATOM 45 N N . ILE A 1 6 ? -4.478 0.055 2.912 1.00 98.04 6 A 1 ATOM 46 C CA . ILE A 1 6 ? -3.942 -0.159 1.572 1.00 98.17 6 A 1 ATOM 47 C C . ILE A 1 6 ? -3.086 1.017 1.121 1.00 98.30 6 A 1 ATOM 48 O O . ILE A 1 6 ? -1.964 0.840 0.641 1.00 98.09 6 A 1 ATOM 49 C CB . ILE A 1 6 ? -5.070 -0.391 0.553 1.00 98.05 6 A 1 ATOM 50 C CG1 . ILE A 1 6 ? -6.002 -1.503 1.034 1.00 96.92 6 A 1 ATOM 51 C CG2 . ILE A 1 6 ? -4.481 -0.743 -0.817 1.00 96.55 6 A 1 ATOM 52 C CD1 . ILE A 1 6 ? -5.281 -2.821 1.281 1.00 93.68 6 A 1 ATOM 53 N N . LEU A 1 7 ? -3.623 2.220 1.253 1.00 98.10 7 A 1 ATOM 54 C CA . LEU A 1 7 ? -2.900 3.417 0.820 1.00 98.07 7 A 1 ATOM 55 C C . LEU A 1 7 ? -1.638 3.636 1.650 1.00 98.11 7 A 1 ATOM 56 O O . LEU A 1 7 ? -0.635 4.152 1.148 1.00 98.08 7 A 1 ATOM 57 C CB . LEU A 1 7 ? -3.821 4.647 0.883 1.00 97.87 7 A 1 ATOM 58 C CG . LEU A 1 7 ? -3.947 5.327 2.249 1.00 95.71 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? -2.814 6.331 2.480 1.00 93.45 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? -5.285 6.052 2.323 1.00 93.14 7 A 1 ATOM 61 N N . SER A 1 8 ? -1.680 3.240 2.903 1.00 97.95 8 A 1 ATOM 62 C CA . SER A 1 8 ? -0.531 3.387 3.794 1.00 98.10 8 A 1 ATOM 63 C C . SER A 1 8 ? 0.601 2.448 3.384 1.00 98.29 8 A 1 ATOM 64 O O . SER A 1 8 ? 1.770 2.834 3.362 1.00 97.93 8 A 1 ATOM 65 C CB . SER A 1 8 ? -0.939 3.110 5.242 1.00 97.59 8 A 1 ATOM 66 O OG . SER A 1 8 ? -0.031 3.714 6.132 1.00 90.74 8 A 1 ATOM 67 N N . VAL A 1 9 ? 0.246 1.217 3.036 1.00 97.82 9 A 1 ATOM 68 C CA . VAL A 1 9 ? 1.231 0.217 2.619 1.00 98.00 9 A 1 ATOM 69 C C . VAL A 1 9 ? 1.829 0.569 1.262 1.00 98.27 9 A 1 ATOM 70 O O . VAL A 1 9 ? 3.046 0.483 1.070 1.00 98.05 9 A 1 ATOM 71 C CB . VAL A 1 9 ? 0.604 -1.187 2.559 1.00 97.60 9 A 1 ATOM 72 C CG1 . VAL A 1 9 ? 1.624 -2.201 2.058 1.00 96.50 9 A 1 ATOM 73 C CG2 . VAL A 1 9 ? 0.090 -1.594 3.929 1.00 96.33 9 A 1 ATOM 74 N N . LEU A 1 10 ? 0.978 0.943 0.311 1.00 97.92 10 A 1 ATOM 75 C CA . LEU A 1 10 ? 1.446 1.282 -1.030 1.00 97.89 10 A 1 ATOM 76 C C . LEU A 1 10 ? 2.332 2.524 -1.006 1.00 98.12 10 A 1 ATOM 77 O O . LEU A 1 10 ? 3.310 2.615 -1.751 1.00 97.98 10 A 1 ATOM 78 C CB . LEU A 1 10 ? 0.254 1.485 -1.976 1.00 97.55 10 A 1 ATOM 79 C CG . LEU A 1 10 ? -0.562 2.757 -1.751 1.00 94.48 10 A 1 ATOM 80 C CD1 . LEU A 1 10 ? -0.020 3.905 -2.591 1.00 92.51 10 A 1 ATOM 81 C CD2 . LEU A 1 10 ? -2.020 2.502 -2.100 1.00 92.63 10 A 1 ATOM 82 N N . ALA A 1 11 ? 1.984 3.483 -0.168 1.00 98.06 11 A 1 ATOM 83 C CA . ALA A 1 11 ? 2.766 4.710 -0.042 1.00 98.08 11 A 1 ATOM 84 C C . ALA A 1 11 ? 4.144 4.421 0.545 1.00 98.26 11 A 1 ATOM 85 O O . ALA A 1 11 ? 5.147 4.983 0.112 1.00 97.82 11 A 1 ATOM 86 C CB . ALA A 1 11 ? 2.028 5.719 0.830 1.00 97.58 11 A 1 ATOM 87 N N . PHE A 1 12 ? 4.184 3.532 1.515 1.00 98.27 12 A 1 ATOM 88 C CA . PHE A 1 12 ? 5.440 3.144 2.148 1.00 98.25 12 A 1 ATOM 89 C C . PHE A 1 12 ? 6.335 2.397 1.173 1.00 98.43 12 A 1 ATOM 90 O O . PHE A 1 12 ? 7.536 2.661 1.080 1.00 98.14 12 A 1 ATOM 91 C CB . PHE A 1 12 ? 5.157 2.265 3.366 1.00 97.82 12 A 1 ATOM 92 C CG . PHE A 1 12 ? 5.921 2.701 4.586 1.00 96.03 12 A 1 ATOM 93 C CD1 . PHE A 1 12 ? 5.545 3.834 5.284 1.00 93.24 12 A 1 ATOM 94 C CD2 . PHE A 1 12 ? 7.008 1.969 5.026 1.00 93.69 12 A 1 ATOM 95 C CE1 . PHE A 1 12 ? 6.244 4.240 6.403 1.00 92.13 12 A 1 ATOM 96 C CE2 . PHE A 1 12 ? 7.717 2.372 6.148 1.00 92.03 12 A 1 ATOM 97 C CZ . PHE A 1 12 ? 7.335 3.508 6.839 1.00 91.77 12 A 1 ATOM 98 N N . ALA A 1 13 ? 5.741 1.458 0.439 1.00 98.30 13 A 1 ATOM 99 C CA . ALA A 1 13 ? 6.478 0.663 -0.541 1.00 98.33 13 A 1 ATOM 100 C C . ALA A 1 13 ? 7.065 1.545 -1.638 1.00 98.48 13 A 1 ATOM 101 O O . ALA A 1 13 ? 8.204 1.346 -2.061 1.00 98.06 13 A 1 ATOM 102 C CB . ALA A 1 13 ? 5.561 -0.388 -1.153 1.00 97.91 13 A 1 ATOM 103 N N . LEU A 1 14 ? 6.289 2.517 -2.109 1.00 98.08 14 A 1 ATOM 104 C CA . LEU A 1 14 ? 6.742 3.429 -3.156 1.00 98.03 14 A 1 ATOM 105 C C . LEU A 1 14 ? 7.868 4.327 -2.658 1.00 98.12 14 A 1 ATOM 106 O O . LEU A 1 14 ? 8.789 4.653 -3.407 1.00 97.28 14 A 1 ATOM 107 C CB . LEU A 1 14 ? 5.577 4.291 -3.640 1.00 97.59 14 A 1 ATOM 108 C CG . LEU A 1 14 ? 4.563 3.555 -4.502 1.00 95.76 14 A 1 ATOM 109 C CD1 . LEU A 1 14 ? 3.295 4.377 -4.650 1.00 93.71 14 A 1 ATOM 110 C CD2 . LEU A 1 14 ? 5.159 3.255 -5.873 1.00 93.35 14 A 1 ATOM 111 N N . LEU A 1 15 ? 7.790 4.730 -1.411 1.00 98.35 15 A 1 ATOM 112 C CA . LEU A 1 15 ? 8.802 5.592 -0.809 1.00 98.21 15 A 1 ATOM 113 C C . LEU A 1 15 ? 10.124 4.852 -0.627 1.00 98.17 15 A 1 ATOM 114 O O . LEU A 1 15 ? 11.198 5.408 -0.862 1.00 97.38 15 A 1 ATOM 115 C CB . LEU A 1 15 ? 8.304 6.125 0.537 1.00 97.74 15 A 1 ATOM 116 C CG . LEU A 1 15 ? 8.802 7.522 0.904 1.00 95.52 15 A 1 ATOM 117 C CD1 . LEU A 1 15 ? 7.982 8.089 2.050 1.00 92.77 15 A 1 ATOM 118 C CD2 . LEU A 1 15 ? 10.273 7.506 1.279 1.00 92.03 15 A 1 ATOM 119 N N . ILE A 1 16 ? 10.047 3.597 -0.214 1.00 98.45 16 A 1 ATOM 120 C CA . ILE A 1 16 ? 11.239 2.775 0.001 1.00 98.25 16 A 1 ATOM 121 C C . ILE A 1 16 ? 11.848 2.314 -1.318 1.00 98.19 16 A 1 ATOM 122 O O . ILE A 1 16 ? 13.067 2.307 -1.485 1.00 97.62 16 A 1 ATOM 123 C CB . ILE A 1 16 ? 10.909 1.544 0.871 1.00 97.63 16 A 1 ATOM 124 C CG1 . ILE A 1 16 ? 10.278 1.980 2.196 1.00 95.37 16 A 1 ATOM 125 C CG2 . ILE A 1 16 ? 12.165 0.716 1.124 1.00 94.54 16 A 1 ATOM 126 C CD1 . ILE A 1 16 ? 11.216 2.795 3.059 1.00 92.64 16 A 1 ATOM 127 N N . ASP A 1 17 ? 10.988 1.901 -2.247 1.00 97.71 17 A 1 ATOM 128 C CA . ASP A 1 17 ? 11.439 1.408 -3.549 1.00 97.49 17 A 1 ATOM 129 C C . ASP A 1 17 ? 11.928 2.539 -4.445 1.00 97.44 17 A 1 ATOM 130 O O . ASP A 1 17 ? 12.972 2.424 -5.089 1.00 96.00 17 A 1 ATOM 131 C CB . ASP A 1 17 ? 10.317 0.639 -4.257 1.00 96.18 17 A 1 ATOM 132 C CG . ASP A 1 17 ? 10.504 -0.862 -4.159 1.00 91.34 17 A 1 ATOM 133 O OD1 . ASP A 1 17 ? 10.903 -1.332 -3.079 1.00 89.35 17 A 1 ATOM 134 O OD2 . ASP A 1 17 ? 10.257 -1.559 -5.161 1.00 88.70 17 A 1 ATOM 135 N N . ALA A 1 18 ? 11.165 3.619 -4.510 1.00 96.30 18 A 1 ATOM 136 C CA . ALA A 1 18 ? 11.481 4.760 -5.369 1.00 94.92 18 A 1 ATOM 137 C C . ALA A 1 18 ? 11.519 6.052 -4.561 1.00 93.30 18 A 1 ATOM 138 O O . ALA A 1 18 ? 10.463 6.635 -4.308 1.00 89.97 18 A 1 ATOM 139 C CB . ALA A 1 18 ? 10.467 4.866 -6.493 1.00 92.95 18 A 1 ATOM 140 O OXT . ALA A 1 18 ? 12.619 6.491 -4.201 1.00 85.80 18 A 1 #