# 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_lar # _entry.id lar # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 ARG 2 1 n TYR 3 1 n GLU 4 1 n LYS 5 1 n VAL 6 1 n LYS 7 1 n PRO 8 1 n CYS 9 1 n PRO 10 1 n PHE 11 1 n CYS 12 1 n GLY 13 1 n CYS 14 1 n PRO 15 1 n SER 16 1 n VAL 17 1 n THR 18 1 n VAL 19 1 n LYS 20 1 n ALA 21 1 n ILE 22 1 n SER 23 1 n GLY 24 1 n TYR 25 1 n TYR 26 1 n ARG 27 1 n ALA 28 1 n LYS 29 1 n CYS 30 1 n ASN 31 1 n GLY 32 1 n CYS 33 1 n GLU 34 1 n SER 35 1 n ARG 36 1 n THR 37 1 n GLY 38 1 n TYR 39 1 n GLY 40 1 n GLY 41 1 n SER 42 1 n GLU 43 1 n LYS 44 1 n GLU 45 1 n ALA 46 1 n LEU 47 1 n GLU 48 1 n ARG 49 1 n TRP 50 1 n ASN 51 1 n LYS 52 1 n ARG 53 1 n THR 54 1 n THR 55 1 n GLY 56 1 n ASN 57 1 n ASN 58 1 n ASN 59 1 n GLY 60 1 n GLY 61 1 n VAL 62 1 n HIS 63 1 n VAL 64 # _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 (3.0.1 @ 2025-04-07 01:06:10)" _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 78.29 _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 54.70 1 1 A ARG 2 2 51.51 1 2 A TYR 3 2 60.12 1 3 A GLU 4 2 57.70 1 4 A LYS 5 2 68.19 1 5 A VAL 6 2 84.99 1 6 A LYS 7 2 84.22 1 7 A PRO 8 2 89.45 1 8 A CYS 9 2 90.46 1 9 A PRO 10 2 87.93 1 10 A PHE 11 2 83.79 1 11 A CYS 12 2 88.91 1 12 A GLY 13 2 89.06 1 13 A CYS 14 2 89.49 1 14 A PRO 15 2 88.95 1 15 A SER 16 2 87.96 1 16 A VAL 17 2 90.85 1 17 A THR 18 2 89.24 1 18 A VAL 19 2 91.19 1 19 A LYS 20 2 84.43 1 20 A ALA 21 2 92.58 1 21 A ILE 22 2 86.35 1 22 A SER 23 2 89.68 1 23 A GLY 24 2 92.15 1 24 A TYR 25 2 90.69 1 25 A TYR 26 2 92.57 1 26 A ARG 27 2 86.24 1 27 A ALA 28 2 93.21 1 28 A LYS 29 2 88.80 1 29 A CYS 30 2 92.24 1 30 A ASN 31 2 88.11 1 31 A GLY 32 2 91.53 1 32 A CYS 33 2 90.17 1 33 A GLU 34 2 84.50 1 34 A SER 35 2 90.16 1 35 A ARG 36 2 83.36 1 36 A THR 37 2 88.42 1 37 A GLY 38 2 90.25 1 38 A TYR 39 2 88.49 1 39 A GLY 40 2 92.22 1 40 A GLY 41 2 93.14 1 41 A SER 42 2 91.48 1 42 A GLU 43 2 83.65 1 43 A LYS 44 2 82.21 1 44 A GLU 45 2 85.96 1 45 A ALA 46 2 92.51 1 46 A LEU 47 2 88.95 1 47 A GLU 48 2 83.92 1 48 A ARG 49 2 81.17 1 49 A TRP 50 2 90.94 1 50 A ASN 51 2 85.86 1 51 A LYS 52 2 80.30 1 52 A ARG 53 2 73.17 1 53 A THR 54 2 61.74 1 54 A THR 55 2 57.75 1 55 A GLY 56 2 52.37 1 56 A ASN 57 2 44.89 1 57 A ASN 58 2 45.61 1 58 A ASN 59 2 42.97 1 59 A GLY 60 2 48.96 1 60 A GLY 61 2 47.17 1 61 A VAL 62 2 42.64 1 62 A HIS 63 2 41.69 1 63 A VAL 64 2 38.18 1 64 # _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 ARG . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n GLU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n PRO . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n ILE . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n TYR . 25 A 25 A 26 1 n TYR . 26 A 26 A 27 1 n ARG . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n LYS . 29 A 29 A 30 1 n CYS . 30 A 30 A 31 1 n ASN . 31 A 31 A 32 1 n GLY . 32 A 32 A 33 1 n CYS . 33 A 33 A 34 1 n GLU . 34 A 34 A 35 1 n SER . 35 A 35 A 36 1 n ARG . 36 A 36 A 37 1 n THR . 37 A 37 A 38 1 n GLY . 38 A 38 A 39 1 n TYR . 39 A 39 A 40 1 n GLY . 40 A 40 A 41 1 n GLY . 41 A 41 A 42 1 n SER . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n LEU . 47 A 47 A 48 1 n GLU . 48 A 48 A 49 1 n ARG . 49 A 49 A 50 1 n TRP . 50 A 50 A 51 1 n ASN . 51 A 51 A 52 1 n LYS . 52 A 52 A 53 1 n ARG . 53 A 53 A 54 1 n THR . 54 A 54 A 55 1 n THR . 55 A 55 A 56 1 n GLY . 56 A 56 A 57 1 n ASN . 57 A 57 A 58 1 n ASN . 58 A 58 A 59 1 n ASN . 59 A 59 A 60 1 n GLY . 60 A 60 A 61 1 n GLY . 61 A 61 A 62 1 n VAL . 62 A 62 A 63 1 n HIS . 63 A 63 A 64 1 n VAL . 64 A 64 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _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 ? -6.333 -8.968 -4.685 1.00 57.67 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.653 -8.501 -5.148 1.00 60.51 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.658 -6.981 -5.192 1.00 61.91 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.000 -6.354 -4.366 1.00 58.06 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.754 -9.014 -4.222 1.00 56.69 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.082 -10.485 -4.505 1.00 51.03 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.236 -11.175 -3.306 1.00 47.78 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.706 -12.702 -4.138 1.00 43.99 1 A 1 ATOM 9 N N . ARG A 1 2 ? -8.353 -6.372 -6.168 1.00 60.25 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -8.590 -4.924 -6.200 1.00 62.00 2 A 1 ATOM 11 C C . ARG A 1 2 ? -9.906 -4.630 -5.501 1.00 63.43 2 A 1 ATOM 12 O O . ARG A 1 2 ? -10.919 -5.241 -5.833 1.00 61.34 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -8.576 -4.379 -7.632 1.00 57.96 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -7.162 -4.344 -8.217 1.00 51.21 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -7.102 -3.557 -9.535 1.00 48.32 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -7.768 -4.267 -10.640 1.00 45.33 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -7.702 -3.912 -11.925 1.00 40.46 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -7.022 -2.863 -12.320 1.00 38.97 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -8.316 -4.615 -12.840 1.00 37.34 2 A 1 ATOM 20 N N . TYR A 1 3 ? -9.891 -3.715 -4.562 1.00 66.09 3 A 1 ATOM 21 C CA . TYR A 1 3 ? -11.080 -3.248 -3.862 1.00 66.63 3 A 1 ATOM 22 C C . TYR A 1 3 ? -11.483 -1.885 -4.437 1.00 67.64 3 A 1 ATOM 23 O O . TYR A 1 3 ? -10.639 -1.003 -4.578 1.00 65.42 3 A 1 ATOM 24 C CB . TYR A 1 3 ? -10.794 -3.179 -2.363 1.00 64.10 3 A 1 ATOM 25 C CG . TYR A 1 3 ? -10.531 -4.525 -1.723 1.00 61.76 3 A 1 ATOM 26 C CD1 . TYR A 1 3 ? -11.586 -5.248 -1.137 1.00 59.23 3 A 1 ATOM 27 C CD2 . TYR A 1 3 ? -9.233 -5.067 -1.709 1.00 58.11 3 A 1 ATOM 28 C CE1 . TYR A 1 3 ? -11.350 -6.499 -0.552 1.00 53.99 3 A 1 ATOM 29 C CE2 . TYR A 1 3 ? -8.991 -6.323 -1.133 1.00 55.31 3 A 1 ATOM 30 C CZ . TYR A 1 3 ? -10.052 -7.037 -0.555 1.00 53.21 3 A 1 ATOM 31 O OH . TYR A 1 3 ? -9.822 -8.269 0.001 1.00 49.99 3 A 1 ATOM 32 N N . GLU A 1 4 ? -12.762 -1.705 -4.763 1.00 66.30 4 A 1 ATOM 33 C CA . GLU A 1 4 ? -13.257 -0.482 -5.417 1.00 66.51 4 A 1 ATOM 34 C C . GLU A 1 4 ? -13.346 0.718 -4.460 1.00 68.27 4 A 1 ATOM 35 O O . GLU A 1 4 ? -13.237 1.868 -4.877 1.00 63.52 4 A 1 ATOM 36 C CB . GLU A 1 4 ? -14.632 -0.766 -6.021 1.00 60.92 4 A 1 ATOM 37 C CG . GLU A 1 4 ? -14.577 -1.847 -7.105 1.00 54.20 4 A 1 ATOM 38 C CD . GLU A 1 4 ? -15.973 -2.094 -7.672 1.00 49.21 4 A 1 ATOM 39 O OE1 . GLU A 1 4 ? -16.225 -1.632 -8.798 1.00 44.94 4 A 1 ATOM 40 O OE2 . GLU A 1 4 ? -16.783 -2.727 -6.960 1.00 45.44 4 A 1 ATOM 41 N N . LYS A 1 5 ? -13.521 0.453 -3.152 1.00 76.93 5 A 1 ATOM 42 C CA . LYS A 1 5 ? -13.714 1.498 -2.127 1.00 79.01 5 A 1 ATOM 43 C C . LYS A 1 5 ? -12.409 1.911 -1.436 1.00 82.16 5 A 1 ATOM 44 O O . LYS A 1 5 ? -12.407 2.258 -0.255 1.00 78.74 5 A 1 ATOM 45 C CB . LYS A 1 5 ? -14.803 1.069 -1.134 1.00 73.26 5 A 1 ATOM 46 C CG . LYS A 1 5 ? -16.170 0.896 -1.806 1.00 63.75 5 A 1 ATOM 47 C CD . LYS A 1 5 ? -17.252 0.618 -0.762 1.00 60.06 5 A 1 ATOM 48 C CE . LYS A 1 5 ? -18.603 0.463 -1.451 1.00 53.01 5 A 1 ATOM 49 N NZ . LYS A 1 5 ? -19.698 0.208 -0.491 1.00 46.77 5 A 1 ATOM 50 N N . VAL A 1 6 ? -11.302 1.855 -2.144 1.00 85.34 6 A 1 ATOM 51 C CA . VAL A 1 6 ? -9.989 2.160 -1.572 1.00 87.40 6 A 1 ATOM 52 C C . VAL A 1 6 ? -9.465 3.477 -2.126 1.00 89.12 6 A 1 ATOM 53 O O . VAL A 1 6 ? -9.476 3.702 -3.333 1.00 88.21 6 A 1 ATOM 54 C CB . VAL A 1 6 ? -9.004 1.006 -1.810 1.00 85.74 6 A 1 ATOM 55 C CG1 . VAL A 1 6 ? -7.665 1.278 -1.137 1.00 78.94 6 A 1 ATOM 56 C CG2 . VAL A 1 6 ? -9.544 -0.297 -1.234 1.00 80.21 6 A 1 ATOM 57 N N . LYS A 1 7 ? -8.998 4.344 -1.243 1.00 88.86 7 A 1 ATOM 58 C CA . LYS A 1 7 ? -8.338 5.593 -1.627 1.00 89.70 7 A 1 ATOM 59 C C . LYS A 1 7 ? -6.987 5.301 -2.294 1.00 90.81 7 A 1 ATOM 60 O O . LYS A 1 7 ? -6.351 4.292 -1.968 1.00 90.42 7 A 1 ATOM 61 C CB . LYS A 1 7 ? -8.161 6.502 -0.407 1.00 88.24 7 A 1 ATOM 62 C CG . LYS A 1 7 ? -9.495 7.060 0.102 1.00 84.60 7 A 1 ATOM 63 C CD . LYS A 1 7 ? -9.250 8.037 1.253 1.00 81.44 7 A 1 ATOM 64 C CE . LYS A 1 7 ? -10.561 8.619 1.767 1.00 75.78 7 A 1 ATOM 65 N NZ . LYS A 1 7 ? -10.327 9.521 2.919 1.00 68.09 7 A 1 ATOM 66 N N . PRO A 1 8 ? -6.522 6.185 -3.193 1.00 90.58 8 A 1 ATOM 67 C CA . PRO A 1 8 ? -5.178 6.069 -3.749 1.00 90.47 8 A 1 ATOM 68 C C . PRO A 1 8 ? -4.116 6.135 -2.649 1.00 90.71 8 A 1 ATOM 69 O O . PRO A 1 8 ? -4.364 6.621 -1.543 1.00 89.05 8 A 1 ATOM 70 C CB . PRO A 1 8 ? -5.053 7.219 -4.748 1.00 88.82 8 A 1 ATOM 71 C CG . PRO A 1 8 ? -6.049 8.254 -4.247 1.00 86.69 8 A 1 ATOM 72 C CD . PRO A 1 8 ? -7.167 7.401 -3.659 1.00 89.80 8 A 1 ATOM 73 N N . CYS A 1 9 ? -2.924 5.641 -2.955 1.00 90.68 9 A 1 ATOM 74 C CA . CYS A 1 9 ? -1.822 5.657 -2.005 1.00 90.78 9 A 1 ATOM 75 C C . CYS A 1 9 ? -1.476 7.100 -1.611 1.00 90.32 9 A 1 ATOM 76 O O . CYS A 1 9 ? -1.151 7.895 -2.488 1.00 89.59 9 A 1 ATOM 77 C CB . CYS A 1 9 ? -0.613 4.957 -2.625 1.00 90.82 9 A 1 ATOM 78 S SG . CYS A 1 9 ? 0.779 4.944 -1.458 1.00 90.55 9 A 1 ATOM 79 N N . PRO A 1 10 ? -1.467 7.433 -0.305 1.00 89.85 10 A 1 ATOM 80 C CA . PRO A 1 10 ? -1.154 8.786 0.147 1.00 88.67 10 A 1 ATOM 81 C C . PRO A 1 10 ? 0.317 9.167 -0.057 1.00 89.15 10 A 1 ATOM 82 O O . PRO A 1 10 ? 0.664 10.333 0.069 1.00 86.54 10 A 1 ATOM 83 C CB . PRO A 1 10 ? -1.545 8.786 1.626 1.00 86.76 10 A 1 ATOM 84 C CG . PRO A 1 10 ? -1.349 7.344 2.062 1.00 85.77 10 A 1 ATOM 85 C CD . PRO A 1 10 ? -1.761 6.561 0.823 1.00 88.78 10 A 1 ATOM 86 N N . PHE A 1 11 ? 1.179 8.197 -0.378 1.00 88.88 11 A 1 ATOM 87 C CA . PHE A 1 11 ? 2.615 8.421 -0.556 1.00 88.94 11 A 1 ATOM 88 C C . PHE A 1 11 ? 3.016 8.586 -2.024 1.00 89.67 11 A 1 ATOM 89 O O . PHE A 1 11 ? 3.874 9.408 -2.328 1.00 87.18 11 A 1 ATOM 90 C CB . PHE A 1 11 ? 3.383 7.261 0.070 1.00 86.96 11 A 1 ATOM 91 C CG . PHE A 1 11 ? 3.116 7.072 1.544 1.00 84.39 11 A 1 ATOM 92 C CD1 . PHE A 1 11 ? 3.733 7.911 2.485 1.00 81.31 11 A 1 ATOM 93 C CD2 . PHE A 1 11 ? 2.242 6.067 1.982 1.00 80.14 11 A 1 ATOM 94 C CE1 . PHE A 1 11 ? 3.486 7.745 3.850 1.00 78.63 11 A 1 ATOM 95 C CE2 . PHE A 1 11 ? 1.991 5.904 3.351 1.00 78.11 11 A 1 ATOM 96 C CZ . PHE A 1 11 ? 2.614 6.740 4.283 1.00 77.51 11 A 1 ATOM 97 N N . CYS A 1 12 ? 2.424 7.809 -2.940 1.00 89.47 12 A 1 ATOM 98 C CA . CYS A 1 12 ? 2.791 7.836 -4.361 1.00 89.77 12 A 1 ATOM 99 C C . CYS A 1 12 ? 1.613 8.094 -5.309 1.00 89.91 12 A 1 ATOM 100 O O . CYS A 1 12 ? 1.805 8.109 -6.521 1.00 87.56 12 A 1 ATOM 101 C CB . CYS A 1 12 ? 3.535 6.541 -4.714 1.00 88.77 12 A 1 ATOM 102 S SG . CYS A 1 12 ? 2.407 5.114 -4.762 1.00 87.99 12 A 1 ATOM 103 N N . GLY A 1 13 ? 0.396 8.249 -4.785 1.00 89.25 13 A 1 ATOM 104 C CA . GLY A 1 13 ? -0.807 8.472 -5.585 1.00 89.11 13 A 1 ATOM 105 C C . GLY A 1 13 ? -1.301 7.243 -6.351 1.00 89.89 13 A 1 ATOM 106 O O . GLY A 1 13 ? -2.288 7.341 -7.078 1.00 87.97 13 A 1 ATOM 107 N N . CYS A 1 14 ? -0.658 6.084 -6.200 1.00 90.39 14 A 1 ATOM 108 C CA . CYS A 1 14 ? -1.039 4.869 -6.913 1.00 90.48 14 A 1 ATOM 109 C C . CYS A 1 14 ? -2.455 4.416 -6.513 1.00 90.93 14 A 1 ATOM 110 O O . CYS A 1 14 ? -2.699 4.192 -5.327 1.00 90.07 14 A 1 ATOM 111 C CB . CYS A 1 14 ? -0.006 3.771 -6.635 1.00 89.29 14 A 1 ATOM 112 S SG . CYS A 1 14 ? -0.404 2.268 -7.577 1.00 85.80 14 A 1 ATOM 113 N N . PRO A 1 15 ? -3.384 4.226 -7.481 1.00 90.30 15 A 1 ATOM 114 C CA . PRO A 1 15 ? -4.752 3.790 -7.190 1.00 89.69 15 A 1 ATOM 115 C C . PRO A 1 15 ? -4.846 2.295 -6.872 1.00 90.01 15 A 1 ATOM 116 O O . PRO A 1 15 ? -5.863 1.828 -6.367 1.00 87.76 15 A 1 ATOM 117 C CB . PRO A 1 15 ? -5.536 4.155 -8.452 1.00 88.18 15 A 1 ATOM 118 C CG . PRO A 1 15 ? -4.503 4.019 -9.566 1.00 87.21 15 A 1 ATOM 119 C CD . PRO A 1 15 ? -3.210 4.485 -8.904 1.00 89.51 15 A 1 ATOM 120 N N . SER A 1 16 ? -3.795 1.536 -7.165 1.00 90.01 16 A 1 ATOM 121 C CA . SER A 1 16 ? -3.786 0.087 -6.982 1.00 90.17 16 A 1 ATOM 122 C C . SER A 1 16 ? -3.312 -0.287 -5.580 1.00 90.91 16 A 1 ATOM 123 O O . SER A 1 16 ? -2.150 -0.099 -5.220 1.00 89.76 16 A 1 ATOM 124 C CB . SER A 1 16 ? -2.915 -0.578 -8.046 1.00 88.10 16 A 1 ATOM 125 O OG . SER A 1 16 ? -3.463 -0.359 -9.332 1.00 78.80 16 A 1 ATOM 126 N N . VAL A 1 17 ? -4.219 -0.864 -4.800 1.00 91.61 17 A 1 ATOM 127 C CA . VAL A 1 17 ? -3.943 -1.346 -3.445 1.00 91.84 17 A 1 ATOM 128 C C . VAL A 1 17 ? -4.345 -2.811 -3.343 1.00 92.05 17 A 1 ATOM 129 O O . VAL A 1 17 ? -5.401 -3.214 -3.822 1.00 91.02 17 A 1 ATOM 130 C CB . VAL A 1 17 ? -4.667 -0.489 -2.392 1.00 91.15 17 A 1 ATOM 131 C CG1 . VAL A 1 17 ? -4.388 -0.972 -0.967 1.00 89.04 17 A 1 ATOM 132 C CG2 . VAL A 1 17 ? -4.232 0.979 -2.502 1.00 89.25 17 A 1 ATOM 133 N N . THR A 1 18 ? -3.498 -3.610 -2.720 1.00 92.45 18 A 1 ATOM 134 C CA . THR A 1 18 ? -3.751 -5.029 -2.470 1.00 92.24 18 A 1 ATOM 135 C C . THR A 1 18 ? -3.838 -5.272 -0.970 1.00 92.65 18 A 1 ATOM 136 O O . THR A 1 18 ? -2.977 -4.827 -0.218 1.00 91.84 18 A 1 ATOM 137 C CB . THR A 1 18 ? -2.652 -5.896 -3.097 1.00 91.04 18 A 1 ATOM 138 O OG1 . THR A 1 18 ? -2.618 -5.699 -4.492 1.00 83.08 18 A 1 ATOM 139 C CG2 . THR A 1 18 ? -2.884 -7.389 -2.884 1.00 81.36 18 A 1 ATOM 140 N N . VAL A 1 19 ? -4.853 -6.021 -0.534 1.00 92.33 19 A 1 ATOM 141 C CA . VAL A 1 19 ? -4.891 -6.539 0.836 1.00 92.37 19 A 1 ATOM 142 C C . VAL A 1 19 ? -4.252 -7.920 0.845 1.00 92.57 19 A 1 ATOM 143 O O . VAL A 1 19 ? -4.627 -8.796 0.068 1.00 91.60 19 A 1 ATOM 144 C CB . VAL A 1 19 ? -6.309 -6.552 1.419 1.00 91.45 19 A 1 ATOM 145 C CG1 . VAL A 1 19 ? -6.305 -7.068 2.859 1.00 88.74 19 A 1 ATOM 146 C CG2 . VAL A 1 19 ? -6.890 -5.135 1.423 1.00 89.27 19 A 1 ATOM 147 N N . LYS A 1 20 ? -3.265 -8.100 1.713 1.00 93.00 20 A 1 ATOM 148 C CA . LYS A 1 20 ? -2.554 -9.360 1.895 1.00 92.85 20 A 1 ATOM 149 C C . LYS A 1 20 ? -2.894 -9.953 3.256 1.00 93.48 20 A 1 ATOM 150 O O . LYS A 1 20 ? -2.744 -9.278 4.270 1.00 92.31 20 A 1 ATOM 151 C CB . LYS A 1 20 ? -1.045 -9.131 1.707 1.00 91.21 20 A 1 ATOM 152 C CG . LYS A 1 20 ? -0.273 -10.456 1.675 1.00 82.13 20 A 1 ATOM 153 C CD . LYS A 1 20 ? 1.200 -10.245 1.321 1.00 79.25 20 A 1 ATOM 154 C CE . LYS A 1 20 ? 1.899 -11.610 1.249 1.00 71.33 20 A 1 ATOM 155 N NZ . LYS A 1 20 ? 3.320 -11.511 0.839 1.00 64.27 20 A 1 ATOM 156 N N . ALA A 1 21 ? -3.303 -11.214 3.270 1.00 93.75 21 A 1 ATOM 157 C CA . ALA A 1 21 ? -3.460 -11.989 4.492 1.00 93.26 21 A 1 ATOM 158 C C . ALA A 1 21 ? -2.114 -12.612 4.886 1.00 93.29 21 A 1 ATOM 159 O O . ALA A 1 21 ? -1.424 -13.202 4.053 1.00 91.28 21 A 1 ATOM 160 C CB . ALA A 1 21 ? -4.551 -13.042 4.285 1.00 91.32 21 A 1 ATOM 161 N N . ILE A 1 22 ? -1.733 -12.463 6.152 1.00 93.52 22 A 1 ATOM 162 C CA . ILE A 1 22 ? -0.496 -13.012 6.715 1.00 92.49 22 A 1 ATOM 163 C C . ILE A 1 22 ? -0.814 -13.576 8.102 1.00 92.76 22 A 1 ATOM 164 O O . ILE A 1 22 ? -1.108 -12.820 9.022 1.00 89.72 22 A 1 ATOM 165 C CB . ILE A 1 22 ? 0.618 -11.943 6.792 1.00 90.15 22 A 1 ATOM 166 C CG1 . ILE A 1 22 ? 0.876 -11.276 5.419 1.00 80.41 22 A 1 ATOM 167 C CG2 . ILE A 1 22 ? 1.908 -12.582 7.338 1.00 78.24 22 A 1 ATOM 168 C CD1 . ILE A 1 22 ? 1.909 -10.140 5.449 1.00 73.53 22 A 1 ATOM 169 N N . SER A 1 23 ? -0.738 -14.893 8.251 1.00 92.74 23 A 1 ATOM 170 C CA . SER A 1 23 ? -0.935 -15.581 9.537 1.00 92.20 23 A 1 ATOM 171 C C . SER A 1 23 ? -2.228 -15.176 10.280 1.00 92.77 23 A 1 ATOM 172 O O . SER A 1 23 ? -2.223 -14.956 11.489 1.00 88.66 23 A 1 ATOM 173 C CB . SER A 1 23 ? 0.317 -15.406 10.404 1.00 90.36 23 A 1 ATOM 174 O OG . SER A 1 23 ? 0.326 -16.352 11.453 1.00 81.35 23 A 1 ATOM 175 N N . GLY A 1 24 ? -3.331 -15.040 9.540 1.00 91.96 24 A 1 ATOM 176 C CA . GLY A 1 24 ? -4.627 -14.628 10.100 1.00 91.97 24 A 1 ATOM 177 C C . GLY A 1 24 ? -4.816 -13.116 10.248 1.00 93.66 24 A 1 ATOM 178 O O . GLY A 1 24 ? -5.910 -12.666 10.584 1.00 91.00 24 A 1 ATOM 179 N N . TYR A 1 25 ? -3.792 -12.323 9.969 1.00 94.85 25 A 1 ATOM 180 C CA . TYR A 1 25 ? -3.864 -10.864 9.962 1.00 95.51 25 A 1 ATOM 181 C C . TYR A 1 25 ? -3.895 -10.323 8.534 1.00 95.96 25 A 1 ATOM 182 O O . TYR A 1 25 ? -3.401 -10.955 7.597 1.00 94.12 25 A 1 ATOM 183 C CB . TYR A 1 25 ? -2.693 -10.279 10.745 1.00 94.43 25 A 1 ATOM 184 C CG . TYR A 1 25 ? -2.679 -10.687 12.198 1.00 93.26 25 A 1 ATOM 185 C CD1 . TYR A 1 25 ? -3.470 -10.000 13.136 1.00 88.13 25 A 1 ATOM 186 C CD2 . TYR A 1 25 ? -1.895 -11.774 12.620 1.00 88.28 25 A 1 ATOM 187 C CE1 . TYR A 1 25 ? -3.476 -10.390 14.480 1.00 86.05 25 A 1 ATOM 188 C CE2 . TYR A 1 25 ? -1.898 -12.174 13.964 1.00 86.40 25 A 1 ATOM 189 C CZ . TYR A 1 25 ? -2.690 -11.477 14.891 1.00 86.52 25 A 1 ATOM 190 O OH . TYR A 1 25 ? -2.700 -11.865 16.208 1.00 84.83 25 A 1 ATOM 191 N N . TYR A 1 26 ? -4.457 -9.137 8.365 1.00 94.59 26 A 1 ATOM 192 C CA . TYR A 1 26 ? -4.653 -8.507 7.069 1.00 94.55 26 A 1 ATOM 193 C C . TYR A 1 26 ? -3.921 -7.175 7.014 1.00 94.24 26 A 1 ATOM 194 O O . TYR A 1 26 ? -3.973 -6.376 7.945 1.00 92.63 26 A 1 ATOM 195 C CB . TYR A 1 26 ? -6.149 -8.345 6.801 1.00 93.93 26 A 1 ATOM 196 C CG . TYR A 1 26 ? -6.885 -9.662 6.707 1.00 94.12 26 A 1 ATOM 197 C CD1 . TYR A 1 26 ? -7.315 -10.331 7.873 1.00 92.10 26 A 1 ATOM 198 C CD2 . TYR A 1 26 ? -7.123 -10.251 5.451 1.00 92.42 26 A 1 ATOM 199 C CE1 . TYR A 1 26 ? -7.974 -11.563 7.784 1.00 90.71 26 A 1 ATOM 200 C CE2 . TYR A 1 26 ? -7.784 -11.483 5.352 1.00 91.16 26 A 1 ATOM 201 C CZ . TYR A 1 26 ? -8.209 -12.138 6.522 1.00 91.24 26 A 1 ATOM 202 O OH . TYR A 1 26 ? -8.852 -13.346 6.432 1.00 89.13 26 A 1 ATOM 203 N N . ARG A 1 27 ? -3.250 -6.915 5.901 1.00 94.93 27 A 1 ATOM 204 C CA . ARG A 1 27 ? -2.500 -5.678 5.669 1.00 94.58 27 A 1 ATOM 205 C C . ARG A 1 27 ? -2.774 -5.143 4.279 1.00 94.64 27 A 1 ATOM 206 O O . ARG A 1 27 ? -2.577 -5.857 3.297 1.00 93.46 27 A 1 ATOM 207 C CB . ARG A 1 27 ? -1.008 -5.955 5.879 1.00 92.58 27 A 1 ATOM 208 C CG . ARG A 1 27 ? -0.177 -4.675 5.815 1.00 86.48 27 A 1 ATOM 209 C CD . ARG A 1 27 ? 1.311 -4.971 5.995 1.00 86.21 27 A 1 ATOM 210 N NE . ARG A 1 27 ? 1.914 -5.497 4.759 1.00 81.05 27 A 1 ATOM 211 C CZ . ARG A 1 27 ? 3.191 -5.813 4.601 1.00 79.19 27 A 1 ATOM 212 N NH1 . ARG A 1 27 ? 4.034 -5.762 5.594 1.00 73.63 27 A 1 ATOM 213 N NH2 . ARG A 1 27 ? 3.652 -6.169 3.439 1.00 71.84 27 A 1 ATOM 214 N N . ALA A 1 28 ? -3.150 -3.873 4.181 1.00 93.64 28 A 1 ATOM 215 C CA . ALA A 1 28 ? -3.215 -3.189 2.896 1.00 93.42 28 A 1 ATOM 216 C C . ALA A 1 28 ? -1.814 -2.737 2.465 1.00 93.64 28 A 1 ATOM 217 O O . ALA A 1 28 ? -1.062 -2.159 3.257 1.00 92.75 28 A 1 ATOM 218 C CB . ALA A 1 28 ? -4.218 -2.036 2.977 1.00 92.58 28 A 1 ATOM 219 N N . LYS A 1 29 ? -1.470 -3.002 1.205 1.00 93.41 29 A 1 ATOM 220 C CA . LYS A 1 29 ? -0.199 -2.633 0.577 1.00 93.58 29 A 1 ATOM 221 C C . LYS A 1 29 ? -0.446 -1.912 -0.743 1.00 93.46 29 A 1 ATOM 222 O O . LYS A 1 29 ? -1.232 -2.378 -1.565 1.00 92.65 29 A 1 ATOM 223 C CB . LYS A 1 29 ? 0.671 -3.881 0.369 1.00 92.73 29 A 1 ATOM 224 C CG . LYS A 1 29 ? 2.133 -3.497 0.042 1.00 90.00 29 A 1 ATOM 225 C CD . LYS A 1 29 ? 3.035 -4.683 -0.339 1.00 87.85 29 A 1 ATOM 226 C CE . LYS A 1 29 ? 2.844 -5.076 -1.808 1.00 80.72 29 A 1 ATOM 227 N NZ . LYS A 1 29 ? 4.093 -5.642 -2.403 1.00 74.82 29 A 1 ATOM 228 N N . CYS A 1 30 ? 0.248 -0.820 -0.961 1.00 92.88 30 A 1 ATOM 229 C CA . CYS A 1 30 ? 0.292 -0.145 -2.251 1.00 92.70 30 A 1 ATOM 230 C C . CYS A 1 30 ? 1.060 -1.002 -3.266 1.00 92.54 30 A 1 ATOM 231 O O . CYS A 1 30 ? 2.140 -1.501 -2.959 1.00 91.54 30 A 1 ATOM 232 C CB . CYS A 1 30 ? 0.950 1.226 -2.057 1.00 92.27 30 A 1 ATOM 233 S SG . CYS A 1 30 ? 1.096 2.098 -3.647 1.00 91.50 30 A 1 ATOM 234 N N . ASN A 1 31 ? 0.524 -1.134 -4.481 1.00 92.46 31 A 1 ATOM 235 C CA . ASN A 1 31 ? 1.202 -1.858 -5.560 1.00 91.93 31 A 1 ATOM 236 C C . ASN A 1 31 ? 2.278 -1.013 -6.268 1.00 92.26 31 A 1 ATOM 237 O O . ASN A 1 31 ? 3.076 -1.562 -7.019 1.00 89.17 31 A 1 ATOM 238 C CB . ASN A 1 31 ? 0.144 -2.351 -6.560 1.00 90.15 31 A 1 ATOM 239 C CG . ASN A 1 31 ? -0.794 -3.388 -5.982 1.00 87.31 31 A 1 ATOM 240 O OD1 . ASN A 1 31 ? -0.476 -4.137 -5.074 1.00 80.97 31 A 1 ATOM 241 N ND2 . ASN A 1 31 ? -1.999 -3.465 -6.506 1.00 80.61 31 A 1 ATOM 242 N N . GLY A 1 32 ? 2.291 0.305 -6.034 1.00 92.39 32 A 1 ATOM 243 C CA . GLY A 1 32 ? 3.283 1.204 -6.628 1.00 91.87 32 A 1 ATOM 244 C C . GLY A 1 32 ? 4.548 1.339 -5.780 1.00 92.55 32 A 1 ATOM 245 O O . GLY A 1 32 ? 5.628 0.954 -6.213 1.00 89.29 32 A 1 ATOM 246 N N . CYS A 1 33 ? 4.422 1.871 -4.567 1.00 92.08 33 A 1 ATOM 247 C CA . CYS A 1 33 ? 5.559 2.133 -3.672 1.00 91.73 33 A 1 ATOM 248 C C . CYS A 1 33 ? 5.681 1.135 -2.512 1.00 91.95 33 A 1 ATOM 249 O O . CYS A 1 33 ? 6.492 1.335 -1.613 1.00 89.20 33 A 1 ATOM 250 C CB . CYS A 1 33 ? 5.476 3.577 -3.164 1.00 89.12 33 A 1 ATOM 251 S SG . CYS A 1 33 ? 4.057 3.804 -2.045 1.00 86.95 33 A 1 ATOM 252 N N . GLU A 1 34 ? 4.845 0.100 -2.517 1.00 91.09 34 A 1 ATOM 253 C CA . GLU A 1 34 ? 4.820 -0.956 -1.489 1.00 91.35 34 A 1 ATOM 254 C C . GLU A 1 34 ? 4.546 -0.473 -0.052 1.00 92.05 34 A 1 ATOM 255 O O . GLU A 1 34 ? 4.688 -1.237 0.904 1.00 89.02 34 A 1 ATOM 256 C CB . GLU A 1 34 ? 6.055 -1.847 -1.586 1.00 89.71 34 A 1 ATOM 257 C CG . GLU A 1 34 ? 6.277 -2.391 -2.999 1.00 85.05 34 A 1 ATOM 258 C CD . GLU A 1 34 ? 7.151 -3.630 -2.915 1.00 78.66 34 A 1 ATOM 259 O OE1 . GLU A 1 34 ? 6.543 -4.718 -2.730 1.00 71.34 34 A 1 ATOM 260 O OE2 . GLU A 1 34 ? 8.383 -3.498 -2.951 1.00 72.20 34 A 1 ATOM 261 N N . SER A 1 35 ? 4.097 0.771 0.105 1.00 92.96 35 A 1 ATOM 262 C CA . SER A 1 35 ? 3.692 1.330 1.391 1.00 92.51 35 A 1 ATOM 263 C C . SER A 1 35 ? 2.574 0.502 2.018 1.00 93.28 35 A 1 ATOM 264 O O . SER A 1 35 ? 1.676 0.026 1.328 1.00 91.82 35 A 1 ATOM 265 C CB . SER A 1 35 ? 3.231 2.776 1.236 1.00 90.35 35 A 1 ATOM 266 O OG . SER A 1 35 ? 4.308 3.571 0.792 1.00 80.06 35 A 1 ATOM 267 N N . ARG A 1 36 ? 2.622 0.358 3.339 1.00 93.10 36 A 1 ATOM 268 C CA . ARG A 1 36 ? 1.678 -0.450 4.110 1.00 92.96 36 A 1 ATOM 269 C C . ARG A 1 36 ? 1.001 0.360 5.211 1.00 92.72 36 A 1 ATOM 270 O O . ARG A 1 36 ? 1.576 1.313 5.732 1.00 89.87 36 A 1 ATOM 271 C CB . ARG A 1 36 ? 2.384 -1.687 4.679 1.00 91.01 36 A 1 ATOM 272 C CG . ARG A 1 36 ? 3.440 -1.328 5.745 1.00 86.94 36 A 1 ATOM 273 C CD . ARG A 1 36 ? 4.057 -2.579 6.360 1.00 85.22 36 A 1 ATOM 274 N NE . ARG A 1 36 ? 5.061 -2.251 7.384 1.00 78.10 36 A 1 ATOM 275 C CZ . ARG A 1 36 ? 4.841 -2.054 8.679 1.00 73.18 36 A 1 ATOM 276 N NH1 . ARG A 1 36 ? 3.644 -2.111 9.195 1.00 67.22 36 A 1 ATOM 277 N NH2 . ARG A 1 36 ? 5.834 -1.785 9.477 1.00 66.62 36 A 1 ATOM 278 N N . THR A 1 37 ? -0.191 -0.078 5.635 1.00 92.40 37 A 1 ATOM 279 C CA . THR A 1 37 ? -0.893 0.555 6.764 1.00 91.08 37 A 1 ATOM 280 C C . THR A 1 37 ? -0.556 -0.060 8.117 1.00 90.56 37 A 1 ATOM 281 O O . THR A 1 37 ? -0.651 0.607 9.143 1.00 86.73 37 A 1 ATOM 282 C CB . THR A 1 37 ? -2.404 0.483 6.561 1.00 89.37 37 A 1 ATOM 283 O OG1 . THR A 1 37 ? -2.802 -0.843 6.266 1.00 84.60 37 A 1 ATOM 284 C CG2 . THR A 1 37 ? -2.823 1.378 5.410 1.00 84.20 37 A 1 ATOM 285 N N . GLY A 1 38 ? -0.160 -1.310 8.128 1.00 90.98 38 A 1 ATOM 286 C CA . GLY A 1 38 ? -0.059 -2.141 9.323 1.00 89.88 38 A 1 ATOM 287 C C . GLY A 1 38 ? -1.001 -3.341 9.246 1.00 91.53 38 A 1 ATOM 288 O O . GLY A 1 38 ? -1.641 -3.569 8.221 1.00 88.60 38 A 1 ATOM 289 N N . TYR A 1 39 ? -1.063 -4.130 10.315 1.00 92.40 39 A 1 ATOM 290 C CA . TYR A 1 39 ? -1.913 -5.314 10.384 1.00 92.85 39 A 1 ATOM 291 C C . TYR A 1 39 ? -3.258 -4.996 11.041 1.00 92.11 39 A 1 ATOM 292 O O . TYR A 1 39 ? -3.331 -4.227 12.002 1.00 87.55 39 A 1 ATOM 293 C CB . TYR A 1 39 ? -1.177 -6.439 11.108 1.00 91.76 39 A 1 ATOM 294 C CG . TYR A 1 39 ? 0.067 -6.901 10.374 1.00 91.01 39 A 1 ATOM 295 C CD1 . TYR A 1 39 ? -0.046 -7.740 9.256 1.00 87.34 39 A 1 ATOM 296 C CD2 . TYR A 1 39 ? 1.342 -6.474 10.797 1.00 86.91 39 A 1 ATOM 297 C CE1 . TYR A 1 39 ? 1.098 -8.161 8.566 1.00 85.27 39 A 1 ATOM 298 C CE2 . TYR A 1 39 ? 2.493 -6.890 10.108 1.00 84.96 39 A 1 ATOM 299 C CZ . TYR A 1 39 ? 2.364 -7.735 8.994 1.00 86.03 39 A 1 ATOM 300 O OH . TYR A 1 39 ? 3.487 -8.142 8.319 1.00 83.70 39 A 1 ATOM 301 N N . GLY A 1 40 ? -4.325 -5.601 10.516 1.00 92.36 40 A 1 ATOM 302 C CA . GLY A 1 40 ? -5.668 -5.601 11.085 1.00 91.66 40 A 1 ATOM 303 C C . GLY A 1 40 ? -6.173 -7.030 11.283 1.00 93.47 40 A 1 ATOM 304 O O . GLY A 1 40 ? -5.567 -7.976 10.779 1.00 91.38 40 A 1 ATOM 305 N N . GLY A 1 41 ? -7.277 -7.186 11.998 1.00 92.85 41 A 1 ATOM 306 C CA . GLY A 1 41 ? -7.908 -8.495 12.208 1.00 93.34 41 A 1 ATOM 307 C C . GLY A 1 41 ? -8.774 -8.956 11.031 1.00 94.43 41 A 1 ATOM 308 O O . GLY A 1 41 ? -9.148 -10.124 10.959 1.00 91.96 41 A 1 ATOM 309 N N . SER A 1 42 ? -9.082 -8.057 10.097 1.00 92.56 42 A 1 ATOM 310 C CA . SER A 1 42 ? -9.911 -8.334 8.927 1.00 92.68 42 A 1 ATOM 311 C C . SER A 1 42 ? -9.480 -7.503 7.721 1.00 93.10 42 A 1 ATOM 312 O O . SER A 1 42 ? -8.795 -6.483 7.849 1.00 92.43 42 A 1 ATOM 313 C CB . SER A 1 42 ? -11.381 -8.068 9.266 1.00 91.20 42 A 1 ATOM 314 O OG . SER A 1 42 ? -11.599 -6.699 9.540 1.00 86.91 42 A 1 ATOM 315 N N . GLU A 1 43 ? -9.920 -7.925 6.526 1.00 91.54 43 A 1 ATOM 316 C CA . GLU A 1 43 ? -9.715 -7.147 5.299 1.00 91.26 43 A 1 ATOM 317 C C . GLU A 1 43 ? -10.350 -5.760 5.406 1.00 91.78 43 A 1 ATOM 318 O O . GLU A 1 43 ? -9.744 -4.765 5.010 1.00 91.06 43 A 1 ATOM 319 C CB . GLU A 1 43 ? -10.319 -7.887 4.103 1.00 89.40 43 A 1 ATOM 320 C CG . GLU A 1 43 ? -9.581 -9.188 3.796 1.00 79.38 43 A 1 ATOM 321 C CD . GLU A 1 43 ? -10.173 -9.859 2.560 1.00 77.05 43 A 1 ATOM 322 O OE1 . GLU A 1 43 ? -9.675 -9.575 1.451 1.00 70.46 43 A 1 ATOM 323 O OE2 . GLU A 1 43 ? -11.141 -10.630 2.719 1.00 70.94 43 A 1 ATOM 324 N N . LYS A 1 44 ? -11.548 -5.688 6.000 1.00 91.29 44 A 1 ATOM 325 C CA . LYS A 1 44 ? -12.255 -4.428 6.219 1.00 90.89 44 A 1 ATOM 326 C C . LYS A 1 44 ? -11.434 -3.467 7.082 1.00 91.33 44 A 1 ATOM 327 O O . LYS A 1 44 ? -11.249 -2.317 6.696 1.00 90.36 44 A 1 ATOM 328 C CB . LYS A 1 44 ? -13.630 -4.716 6.834 1.00 89.74 44 A 1 ATOM 329 C CG . LYS A 1 44 ? -14.449 -3.435 6.992 1.00 82.12 44 A 1 ATOM 330 C CD . LYS A 1 44 ? -15.818 -3.725 7.613 1.00 77.74 44 A 1 ATOM 331 C CE . LYS A 1 44 ? -16.527 -2.402 7.874 1.00 66.97 44 A 1 ATOM 332 N NZ . LYS A 1 44 ? -17.797 -2.582 8.612 1.00 59.49 44 A 1 ATOM 333 N N . GLU A 1 45 ? -10.889 -3.931 8.198 1.00 91.69 45 A 1 ATOM 334 C CA . GLU A 1 45 ? -10.038 -3.109 9.066 1.00 91.70 45 A 1 ATOM 335 C C . GLU A 1 45 ? -8.769 -2.641 8.348 1.00 92.10 45 A 1 ATOM 336 O O . GLU A 1 45 ? -8.346 -1.497 8.516 1.00 91.74 45 A 1 ATOM 337 C CB . GLU A 1 45 ? -9.619 -3.893 10.306 1.00 91.27 45 A 1 ATOM 338 C CG . GLU A 1 45 ? -10.749 -4.042 11.325 1.00 84.07 45 A 1 ATOM 339 C CD . GLU A 1 45 ? -10.236 -4.921 12.455 1.00 80.56 45 A 1 ATOM 340 O OE1 . GLU A 1 45 ? -9.645 -4.363 13.402 1.00 74.60 45 A 1 ATOM 341 O OE2 . GLU A 1 45 ? -10.350 -6.157 12.322 1.00 75.87 45 A 1 ATOM 342 N N . ALA A 1 46 ? -8.167 -3.495 7.520 1.00 92.68 46 A 1 ATOM 343 C CA . ALA A 1 46 ? -7.000 -3.114 6.733 1.00 92.52 46 A 1 ATOM 344 C C . ALA A 1 46 ? -7.330 -1.980 5.748 1.00 92.81 46 A 1 ATOM 345 O O . ALA A 1 46 ? -6.560 -1.025 5.629 1.00 92.38 46 A 1 ATOM 346 C CB . ALA A 1 46 ? -6.457 -4.354 6.013 1.00 92.18 46 A 1 ATOM 347 N N . LEU A 1 47 ? -8.485 -2.052 5.090 1.00 91.74 47 A 1 ATOM 348 C CA . LEU A 1 47 ? -8.960 -1.016 4.173 1.00 91.43 47 A 1 ATOM 349 C C . LEU A 1 47 ? -9.341 0.273 4.906 1.00 91.42 47 A 1 ATOM 350 O O . LEU A 1 47 ? -9.006 1.361 4.444 1.00 90.75 47 A 1 ATOM 351 C CB . LEU A 1 47 ? -10.158 -1.550 3.381 1.00 90.81 47 A 1 ATOM 352 C CG . LEU A 1 47 ? -9.821 -2.698 2.416 1.00 86.45 47 A 1 ATOM 353 C CD1 . LEU A 1 47 ? -11.107 -3.202 1.765 1.00 84.67 47 A 1 ATOM 354 C CD2 . LEU A 1 47 ? -8.846 -2.267 1.332 1.00 84.34 47 A 1 ATOM 355 N N . GLU A 1 48 ? -9.984 0.180 6.066 1.00 90.69 48 A 1 ATOM 356 C CA . GLU A 1 48 ? -10.312 1.343 6.893 1.00 89.92 48 A 1 ATOM 357 C C . GLU A 1 48 ? -9.047 2.071 7.355 1.00 90.27 48 A 1 ATOM 358 O O . GLU A 1 48 ? -8.956 3.294 7.251 1.00 89.70 48 A 1 ATOM 359 C CB . GLU A 1 48 ? -11.138 0.917 8.108 1.00 89.32 48 A 1 ATOM 360 C CG . GLU A 1 48 ? -12.589 0.602 7.734 1.00 81.96 48 A 1 ATOM 361 C CD . GLU A 1 48 ? -13.442 0.187 8.940 1.00 77.05 48 A 1 ATOM 362 O OE1 . GLU A 1 48 ? -14.627 -0.148 8.718 1.00 72.67 48 A 1 ATOM 363 O OE2 . GLU A 1 48 ? -12.932 0.224 10.082 1.00 73.68 48 A 1 ATOM 364 N N . ARG A 1 49 ? -8.040 1.327 7.803 1.00 91.46 49 A 1 ATOM 365 C CA . ARG A 1 49 ? -6.732 1.887 8.170 1.00 91.21 49 A 1 ATOM 366 C C . ARG A 1 49 ? -6.048 2.544 6.978 1.00 91.49 49 A 1 ATOM 367 O O . ARG A 1 49 ? -5.421 3.585 7.145 1.00 90.15 49 A 1 ATOM 368 C CB . ARG A 1 49 ? -5.833 0.792 8.748 1.00 90.53 49 A 1 ATOM 369 C CG . ARG A 1 49 ? -6.263 0.376 10.159 1.00 84.53 49 A 1 ATOM 370 C CD . ARG A 1 49 ? -5.412 -0.807 10.624 1.00 81.57 49 A 1 ATOM 371 N NE . ARG A 1 49 ? -5.894 -1.326 11.916 1.00 74.76 49 A 1 ATOM 372 C CZ . ARG A 1 49 ? -5.177 -1.971 12.818 1.00 70.58 49 A 1 ATOM 373 N NH1 . ARG A 1 49 ? -3.898 -2.181 12.677 1.00 64.19 49 A 1 ATOM 374 N NH2 . ARG A 1 49 ? -5.760 -2.430 13.893 1.00 62.38 49 A 1 ATOM 375 N N . TRP A 1 50 ? -6.193 1.967 5.776 1.00 91.62 50 A 1 ATOM 376 C CA . TRP A 1 50 ? -5.675 2.570 4.548 1.00 91.52 50 A 1 ATOM 377 C C . TRP A 1 50 ? -6.365 3.894 4.246 1.00 91.09 50 A 1 ATOM 378 O O . TRP A 1 50 ? -5.698 4.907 4.038 1.00 89.43 50 A 1 ATOM 379 C CB . TRP A 1 50 ? -5.850 1.595 3.384 1.00 91.82 50 A 1 ATOM 380 C CG . TRP A 1 50 ? -5.273 2.117 2.108 1.00 91.72 50 A 1 ATOM 381 C CD1 . TRP A 1 50 ? -5.929 2.854 1.185 1.00 89.94 50 A 1 ATOM 382 C CD2 . TRP A 1 50 ? -3.904 1.995 1.651 1.00 92.18 50 A 1 ATOM 383 N NE1 . TRP A 1 50 ? -5.044 3.201 0.171 1.00 90.33 50 A 1 ATOM 384 C CE2 . TRP A 1 50 ? -3.790 2.697 0.421 1.00 91.68 50 A 1 ATOM 385 C CE3 . TRP A 1 50 ? -2.747 1.363 2.161 1.00 90.54 50 A 1 ATOM 386 C CZ2 . TRP A 1 50 ? -2.570 2.782 -0.274 1.00 91.10 50 A 1 ATOM 387 C CZ3 . TRP A 1 50 ? -1.535 1.437 1.463 1.00 89.86 50 A 1 ATOM 388 C CH2 . TRP A 1 50 ? -1.444 2.148 0.261 1.00 90.29 50 A 1 ATOM 389 N N . ASN A 1 51 ? -7.687 3.912 4.283 1.00 90.99 51 A 1 ATOM 390 C CA . ASN A 1 51 ? -8.485 5.092 3.964 1.00 89.72 51 A 1 ATOM 391 C C . ASN A 1 51 ? -8.330 6.228 4.986 1.00 88.66 51 A 1 ATOM 392 O O . ASN A 1 51 ? -8.545 7.388 4.639 1.00 84.53 51 A 1 ATOM 393 C CB . ASN A 1 51 ? -9.948 4.663 3.839 1.00 88.40 51 A 1 ATOM 394 C CG . ASN A 1 51 ? -10.218 3.877 2.569 1.00 85.75 51 A 1 ATOM 395 O OD1 . ASN A 1 51 ? -9.491 3.941 1.595 1.00 79.56 51 A 1 ATOM 396 N ND2 . ASN A 1 51 ? -11.307 3.140 2.533 1.00 79.29 51 A 1 ATOM 397 N N . LYS A 1 52 ? -7.948 5.914 6.223 1.00 89.73 52 A 1 ATOM 398 C CA . LYS A 1 52 ? -7.627 6.888 7.274 1.00 88.59 52 A 1 ATOM 399 C C . LYS A 1 52 ? -6.248 7.528 7.097 1.00 87.29 52 A 1 ATOM 400 O O . LYS A 1 52 ? -5.967 8.533 7.747 1.00 82.77 52 A 1 ATOM 401 C CB . LYS A 1 52 ? -7.732 6.224 8.653 1.00 87.33 52 A 1 ATOM 402 C CG . LYS A 1 52 ? -9.194 5.997 9.070 1.00 79.48 52 A 1 ATOM 403 C CD . LYS A 1 52 ? -9.277 5.232 10.393 1.00 77.14 52 A 1 ATOM 404 C CE . LYS A 1 52 ? -10.744 4.992 10.757 1.00 68.24 52 A 1 ATOM 405 N NZ . LYS A 1 52 ? -10.903 4.242 12.022 1.00 62.15 52 A 1 ATOM 406 N N . ARG A 1 53 ? -5.395 6.977 6.236 1.00 84.71 53 A 1 ATOM 407 C CA . ARG A 1 53 ? -4.110 7.609 5.930 1.00 80.92 53 A 1 ATOM 408 C C . ARG A 1 53 ? -4.362 8.886 5.126 1.00 77.30 53 A 1 ATOM 409 O O . ARG A 1 53 ? -4.910 8.841 4.033 1.00 70.37 53 A 1 ATOM 410 C CB . ARG A 1 53 ? -3.192 6.651 5.162 1.00 78.77 53 A 1 ATOM 411 C CG . ARG A 1 53 ? -2.781 5.397 5.955 1.00 75.36 53 A 1 ATOM 412 C CD . ARG A 1 53 ? -1.873 5.733 7.131 1.00 73.78 53 A 1 ATOM 413 N NE . ARG A 1 53 ? -1.346 4.507 7.755 1.00 70.26 53 A 1 ATOM 414 C CZ . ARG A 1 53 ? -0.435 4.449 8.717 1.00 68.36 53 A 1 ATOM 415 N NH1 . ARG A 1 53 ? 0.081 5.527 9.250 1.00 63.06 53 A 1 ATOM 416 N NH2 . ARG A 1 53 ? -0.027 3.298 9.161 1.00 62.01 53 A 1 ATOM 417 N N . THR A 1 54 ? -3.962 10.005 5.682 1.00 74.19 54 A 1 ATOM 418 C CA . THR A 1 54 ? -4.062 11.315 5.036 1.00 67.16 54 A 1 ATOM 419 C C . THR A 1 54 ? -2.692 11.972 5.093 1.00 64.31 54 A 1 ATOM 420 O O . THR A 1 54 ? -2.283 12.475 6.138 1.00 57.47 54 A 1 ATOM 421 C CB . THR A 1 54 ? -5.134 12.202 5.700 1.00 61.46 54 A 1 ATOM 422 O OG1 . THR A 1 54 ? -6.338 11.492 5.889 1.00 55.00 54 A 1 ATOM 423 C CG2 . THR A 1 54 ? -5.462 13.424 4.853 1.00 52.57 54 A 1 ATOM 424 N N . THR A 1 55 ? -1.986 11.951 3.968 1.00 65.99 55 A 1 ATOM 425 C CA . THR A 1 55 ? -0.735 12.698 3.824 1.00 62.51 55 A 1 ATOM 426 C C . THR A 1 55 ? -0.892 13.640 2.641 1.00 60.23 55 A 1 ATOM 427 O O . THR A 1 55 ? -0.937 13.205 1.495 1.00 53.48 55 A 1 ATOM 428 C CB . THR A 1 55 ? 0.483 11.776 3.664 1.00 58.30 55 A 1 ATOM 429 O OG1 . THR A 1 55 ? 0.343 10.942 2.547 1.00 52.51 55 A 1 ATOM 430 C CG2 . THR A 1 55 ? 0.703 10.891 4.889 1.00 51.23 55 A 1 ATOM 431 N N . GLY A 1 56 ? -1.030 14.920 2.921 1.00 55.37 56 A 1 ATOM 432 C CA . GLY A 1 56 ? -1.208 15.962 1.904 1.00 53.69 56 A 1 ATOM 433 C C . GLY A 1 56 ? 0.045 16.797 1.652 1.00 52.40 56 A 1 ATOM 434 O O . GLY A 1 56 ? -0.027 17.803 0.950 1.00 48.00 56 A 1 ATOM 435 N N . ASN A 1 57 ? 1.177 16.430 2.226 1.00 50.82 57 A 1 ATOM 436 C CA . ASN A 1 57 ? 2.398 17.225 2.120 1.00 50.73 57 A 1 ATOM 437 C C . ASN A 1 57 ? 3.177 16.836 0.865 1.00 49.97 57 A 1 ATOM 438 O O . ASN A 1 57 ? 4.034 15.955 0.907 1.00 45.10 57 A 1 ATOM 439 C CB . ASN A 1 57 ? 3.225 17.084 3.407 1.00 47.13 57 A 1 ATOM 440 C CG . ASN A 1 57 ? 2.548 17.720 4.608 1.00 41.47 57 A 1 ATOM 441 O OD1 . ASN A 1 57 ? 1.644 18.521 4.504 1.00 37.52 57 A 1 ATOM 442 N ND2 . ASN A 1 57 ? 2.981 17.371 5.798 1.00 36.42 57 A 1 ATOM 443 N N . ASN A 1 58 ? 2.888 17.503 -0.242 1.00 49.95 58 A 1 ATOM 444 C CA . ASN A 1 58 ? 3.673 17.409 -1.466 1.00 51.01 58 A 1 ATOM 445 C C . ASN A 1 58 ? 4.427 18.727 -1.684 1.00 51.00 58 A 1 ATOM 446 O O . ASN A 1 58 ? 3.950 19.604 -2.397 1.00 45.96 58 A 1 ATOM 447 C CB . ASN A 1 58 ? 2.756 17.030 -2.638 1.00 47.63 58 A 1 ATOM 448 C CG . ASN A 1 58 ? 3.556 16.694 -3.887 1.00 42.80 58 A 1 ATOM 449 O OD1 . ASN A 1 58 ? 4.721 16.344 -3.841 1.00 38.82 58 A 1 ATOM 450 N ND2 . ASN A 1 58 ? 2.941 16.763 -5.044 1.00 37.70 58 A 1 ATOM 451 N N . ASN A 1 59 ? 5.567 18.869 -1.043 1.00 45.91 59 A 1 ATOM 452 C CA . ASN A 1 59 ? 6.509 19.944 -1.342 1.00 48.60 59 A 1 ATOM 453 C C . ASN A 1 59 ? 7.932 19.498 -0.995 1.00 48.68 59 A 1 ATOM 454 O O . ASN A 1 59 ? 8.362 19.617 0.151 1.00 43.75 59 A 1 ATOM 455 C CB . ASN A 1 59 ? 6.108 21.234 -0.612 1.00 45.65 59 A 1 ATOM 456 C CG . ASN A 1 59 ? 6.868 22.432 -1.158 1.00 39.96 59 A 1 ATOM 457 O OD1 . ASN A 1 59 ? 7.469 22.398 -2.215 1.00 36.09 59 A 1 ATOM 458 N ND2 . ASN A 1 59 ? 6.848 23.538 -0.451 1.00 35.14 59 A 1 ATOM 459 N N . GLY A 1 60 ? 8.637 18.967 -1.978 1.00 49.48 60 A 1 ATOM 460 C CA . GLY A 1 60 ? 10.010 18.499 -1.819 1.00 50.13 60 A 1 ATOM 461 C C . GLY A 1 60 ? 10.847 18.871 -3.032 1.00 49.83 60 A 1 ATOM 462 O O . GLY A 1 60 ? 11.059 18.052 -3.915 1.00 46.40 60 A 1 ATOM 463 N N . GLY A 1 61 ? 11.303 20.113 -3.077 1.00 46.44 61 A 1 ATOM 464 C CA . GLY A 1 61 ? 12.353 20.532 -3.999 1.00 48.40 61 A 1 ATOM 465 C C . GLY A 1 61 ? 13.696 20.446 -3.285 1.00 48.15 61 A 1 ATOM 466 O O . GLY A 1 61 ? 14.065 21.382 -2.579 1.00 45.68 61 A 1 ATOM 467 N N . VAL A 1 62 ? 14.395 19.328 -3.428 1.00 42.28 62 A 1 ATOM 468 C CA . VAL A 1 62 ? 15.788 19.236 -2.979 1.00 46.15 62 A 1 ATOM 469 C C . VAL A 1 62 ? 16.688 19.578 -4.161 1.00 47.56 62 A 1 ATOM 470 O O . VAL A 1 62 ? 16.649 18.914 -5.193 1.00 43.66 62 A 1 ATOM 471 C CB . VAL A 1 62 ? 16.131 17.872 -2.336 1.00 43.22 62 A 1 ATOM 472 C CG1 . VAL A 1 62 ? 15.442 17.751 -0.976 1.00 37.00 62 A 1 ATOM 473 C CG2 . VAL A 1 62 ? 15.745 16.666 -3.196 1.00 38.59 62 A 1 ATOM 474 N N . HIS A 1 63 ? 17.462 20.633 -4.009 1.00 41.94 63 A 1 ATOM 475 C CA . HIS A 1 63 ? 18.546 20.953 -4.934 1.00 47.84 63 A 1 ATOM 476 C C . HIS A 1 63 ? 19.811 20.280 -4.403 1.00 47.10 63 A 1 ATOM 477 O O . HIS A 1 63 ? 20.235 20.579 -3.284 1.00 44.77 63 A 1 ATOM 478 C CB . HIS A 1 63 ? 18.677 22.474 -5.058 1.00 46.06 63 A 1 ATOM 479 C CG . HIS A 1 63 ? 19.568 22.893 -6.196 1.00 42.04 63 A 1 ATOM 480 N ND1 . HIS A 1 63 ? 19.259 22.788 -7.534 1.00 36.73 63 A 1 ATOM 481 C CD2 . HIS A 1 63 ? 20.807 23.464 -6.119 1.00 37.85 63 A 1 ATOM 482 C CE1 . HIS A 1 63 ? 20.293 23.277 -8.237 1.00 35.66 63 A 1 ATOM 483 N NE2 . HIS A 1 63 ? 21.250 23.704 -7.412 1.00 36.94 63 A 1 ATOM 484 N N . VAL A 1 64 ? 20.338 19.346 -5.183 1.00 40.23 64 A 1 ATOM 485 C CA . VAL A 1 64 ? 21.609 18.656 -4.891 1.00 44.57 64 A 1 ATOM 486 C C . VAL A 1 64 ? 22.707 19.239 -5.783 1.00 42.74 64 A 1 ATOM 487 O O . VAL A 1 64 ? 23.793 19.535 -5.271 1.00 34.95 64 A 1 ATOM 488 C CB . VAL A 1 64 ? 21.496 17.131 -5.076 1.00 38.62 64 A 1 ATOM 489 C CG1 . VAL A 1 64 ? 22.724 16.428 -4.508 1.00 32.73 64 A 1 ATOM 490 C CG2 . VAL A 1 64 ? 20.258 16.540 -4.409 1.00 36.25 64 A 1 ATOM 491 O OXT . VAL A 1 64 ? 22.423 19.379 -6.987 1.00 35.38 64 A 1 #