# 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_acrie3 # _entry.id acrie3 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "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 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" "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 LYS 2 1 n ILE 3 1 n THR 4 1 n ASN 5 1 n ASP 6 1 n THR 7 1 n THR 8 1 n THR 9 1 n TYR 10 1 n GLU 11 1 n VAL 12 1 n ALA 13 1 n GLU 14 1 n LEU 15 1 n MET 16 1 n GLY 17 1 n SER 18 1 n GLU 19 1 n ALA 20 1 n ASP 21 1 n GLU 22 1 n LEU 23 1 n ASP 24 1 n GLY 25 1 n ARG 26 1 n ILE 27 1 n MET 28 1 n MET 29 1 n GLY 30 1 n LEU 31 1 n LEU 32 1 n SER 33 1 n ARG 34 1 n GLU 35 1 n CYS 36 1 n VAL 37 1 n VAL 38 1 n ASP 39 1 n THR 40 1 n ASP 41 1 n ASP 42 1 n LEU 43 1 n SER 44 1 n GLU 45 1 n ASP 46 1 n GLN 47 1 n TRP 48 1 n LEU 49 1 n ALA 50 1 n LEU 51 1 n ILE 52 1 n ASP 53 1 n GLU 54 1 n SER 55 1 n GLN 56 1 n LYS 57 1 n VAL 58 1 n ARG 59 1 n ARG 60 1 n GLU 61 1 n GLN 62 1 n PHE 63 1 n GLU 64 1 n SER 65 1 n ASP 66 1 n GLU 67 1 n ALA 68 # _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 @ 2025-04-06 19:38:39)" _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 89.83 _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 91.88 1 1 A LYS 2 2 88.76 1 2 A ILE 3 2 93.41 1 3 A THR 4 2 92.86 1 4 A ASN 5 2 84.90 1 5 A ASP 6 2 89.31 1 6 A THR 7 2 95.51 1 7 A THR 8 2 96.50 1 8 A THR 9 2 95.35 1 9 A TYR 10 2 87.77 1 10 A GLU 11 2 94.79 1 11 A VAL 12 2 97.54 1 12 A ALA 13 2 97.53 1 13 A GLU 14 2 89.83 1 14 A LEU 15 2 93.32 1 15 A MET 16 2 94.70 1 16 A GLY 17 2 94.98 1 17 A SER 18 2 92.30 1 18 A GLU 19 2 83.92 1 19 A ALA 20 2 95.89 1 20 A ASP 21 2 93.33 1 21 A GLU 22 2 89.30 1 22 A LEU 23 2 93.62 1 23 A ASP 24 2 94.12 1 24 A GLY 25 2 97.37 1 25 A ARG 26 2 81.93 1 26 A ILE 27 2 96.46 1 27 A MET 28 2 96.70 1 28 A MET 29 2 90.28 1 29 A GLY 30 2 97.17 1 30 A LEU 31 2 97.58 1 31 A LEU 32 2 97.40 1 32 A SER 33 2 93.03 1 33 A ARG 34 2 91.83 1 34 A GLU 35 2 93.26 1 35 A CYS 36 2 94.82 1 36 A VAL 37 2 96.79 1 37 A VAL 38 2 94.38 1 38 A ASP 39 2 95.80 1 39 A THR 40 2 96.71 1 40 A ASP 41 2 93.06 1 41 A ASP 42 2 94.32 1 42 A LEU 43 2 96.91 1 43 A SER 44 2 97.32 1 44 A GLU 45 2 89.18 1 45 A ASP 46 2 94.22 1 46 A GLN 47 2 94.90 1 47 A TRP 48 2 97.09 1 48 A LEU 49 2 95.21 1 49 A ALA 50 2 98.16 1 50 A LEU 51 2 97.64 1 51 A ILE 52 2 95.91 1 52 A ASP 53 2 91.47 1 53 A GLU 54 2 94.02 1 54 A SER 55 2 95.38 1 55 A GLN 56 2 88.13 1 56 A LYS 57 2 87.72 1 57 A VAL 58 2 95.35 1 58 A ARG 59 2 88.00 1 59 A ARG 60 2 80.59 1 60 A GLU 61 2 88.24 1 61 A GLN 62 2 81.59 1 62 A PHE 63 2 72.45 1 63 A GLU 64 2 68.54 1 64 A SER 65 2 70.85 1 65 A ASP 66 2 59.95 1 66 A GLU 67 2 50.95 1 67 A ALA 68 2 51.14 1 68 # _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 LYS . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ASP . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n TYR . 10 A 10 A 11 1 n GLU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n ASP . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n ASP . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n ARG . 26 A 26 A 27 1 n ILE . 27 A 27 A 28 1 n MET . 28 A 28 A 29 1 n MET . 29 A 29 A 30 1 n GLY . 30 A 30 A 31 1 n LEU . 31 A 31 A 32 1 n LEU . 32 A 32 A 33 1 n SER . 33 A 33 A 34 1 n ARG . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n CYS . 36 A 36 A 37 1 n VAL . 37 A 37 A 38 1 n VAL . 38 A 38 A 39 1 n ASP . 39 A 39 A 40 1 n THR . 40 A 40 A 41 1 n ASP . 41 A 41 A 42 1 n ASP . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n SER . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n ASP . 46 A 46 A 47 1 n GLN . 47 A 47 A 48 1 n TRP . 48 A 48 A 49 1 n LEU . 49 A 49 A 50 1 n ALA . 50 A 50 A 51 1 n LEU . 51 A 51 A 52 1 n ILE . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n GLU . 54 A 54 A 55 1 n SER . 55 A 55 A 56 1 n GLN . 56 A 56 A 57 1 n LYS . 57 A 57 A 58 1 n VAL . 58 A 58 A 59 1 n ARG . 59 A 59 A 60 1 n ARG . 60 A 60 A 61 1 n GLU . 61 A 61 A 62 1 n GLN . 62 A 62 A 63 1 n PHE . 63 A 63 A 64 1 n GLU . 64 A 64 A 65 1 n SER . 65 A 65 A 66 1 n ASP . 66 A 66 A 67 1 n GLU . 67 A 67 A 68 1 n ALA . 68 A 68 # _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 ? 6.615 -10.801 0.189 1.00 94.43 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.877 -11.240 1.398 1.00 95.95 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.455 -11.635 1.014 1.00 96.76 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.862 -10.989 0.158 1.00 95.65 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.843 -10.149 2.484 1.00 92.95 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.952 -8.947 2.141 1.00 90.48 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.868 -7.655 3.417 1.00 87.87 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.715 -8.399 4.594 1.00 80.97 1 A 1 ATOM 9 N N . LYS A 1 2 ? 3.898 -12.661 1.659 1.00 95.69 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 2.500 -13.051 1.424 1.00 96.62 2 A 1 ATOM 11 C C . LYS A 1 2 ? 1.546 -12.096 2.122 1.00 96.71 2 A 1 ATOM 12 O O . LYS A 1 2 ? 1.712 -11.820 3.310 1.00 96.03 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 2.249 -14.494 1.863 1.00 96.28 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 2.990 -15.453 0.927 1.00 89.58 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 2.667 -16.912 1.239 1.00 84.87 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 3.401 -17.757 0.205 1.00 76.35 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 3.119 -19.199 0.359 1.00 66.74 2 A 1 ATOM 18 N N . ILE A 1 3 ? 0.537 -11.640 1.393 1.00 95.96 3 A 1 ATOM 19 C CA . ILE A 1 3 ? -0.542 -10.816 1.929 1.00 95.19 3 A 1 ATOM 20 C C . ILE A 1 3 ? -1.651 -11.755 2.407 1.00 94.43 3 A 1 ATOM 21 O O . ILE A 1 3 ? -2.260 -12.483 1.624 1.00 93.04 3 A 1 ATOM 22 C CB . ILE A 1 3 ? -1.035 -9.792 0.888 1.00 94.92 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? 0.112 -8.930 0.293 1.00 93.21 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? -2.118 -8.895 1.498 1.00 93.41 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? 0.946 -8.150 1.315 1.00 87.15 3 A 1 ATOM 26 N N . THR A 1 4 ? -1.892 -11.760 3.700 1.00 95.05 4 A 1 ATOM 27 C CA . THR A 1 4 ? -2.899 -12.601 4.359 1.00 93.85 4 A 1 ATOM 28 C C . THR A 1 4 ? -3.819 -11.734 5.218 1.00 93.56 4 A 1 ATOM 29 O O . THR A 1 4 ? -3.603 -10.534 5.363 1.00 92.37 4 A 1 ATOM 30 C CB . THR A 1 4 ? -2.242 -13.701 5.212 1.00 93.26 4 A 1 ATOM 31 O OG1 . THR A 1 4 ? -1.640 -13.158 6.359 1.00 91.83 4 A 1 ATOM 32 C CG2 . THR A 1 4 ? -1.184 -14.515 4.460 1.00 90.07 4 A 1 ATOM 33 N N . ASN A 1 5 ? -4.829 -12.337 5.817 1.00 91.91 5 A 1 ATOM 34 C CA . ASN A 1 5 ? -5.694 -11.631 6.770 1.00 91.25 5 A 1 ATOM 35 C C . ASN A 1 5 ? -4.948 -11.174 8.033 1.00 92.29 5 A 1 ATOM 36 O O . ASN A 1 5 ? -5.434 -10.291 8.730 1.00 90.75 5 A 1 ATOM 37 C CB . ASN A 1 5 ? -6.863 -12.549 7.152 1.00 88.71 5 A 1 ATOM 38 C CG . ASN A 1 5 ? -7.812 -12.832 6.000 1.00 80.11 5 A 1 ATOM 39 O OD1 . ASN A 1 5 ? -7.990 -12.066 5.074 1.00 72.92 5 A 1 ATOM 40 N ND2 . ASN A 1 5 ? -8.469 -13.971 6.026 1.00 71.22 5 A 1 ATOM 41 N N . ASP A 1 6 ? -3.791 -11.776 8.314 1.00 93.49 6 A 1 ATOM 42 C CA . ASP A 1 6 ? -2.948 -11.413 9.458 1.00 94.57 6 A 1 ATOM 43 C C . ASP A 1 6 ? -1.934 -10.313 9.109 1.00 95.82 6 A 1 ATOM 44 O O . ASP A 1 6 ? -1.304 -9.754 10.005 1.00 94.49 6 A 1 ATOM 45 C CB . ASP A 1 6 ? -2.241 -12.674 9.979 1.00 93.01 6 A 1 ATOM 46 C CG . ASP A 1 6 ? -3.227 -13.784 10.356 1.00 85.01 6 A 1 ATOM 47 O OD1 . ASP A 1 6 ? -4.060 -13.554 11.265 1.00 79.62 6 A 1 ATOM 48 O OD2 . ASP A 1 6 ? -3.173 -14.856 9.709 1.00 78.45 6 A 1 ATOM 49 N N . THR A 1 7 ? -1.776 -9.987 7.818 1.00 95.73 7 A 1 ATOM 50 C CA . THR A 1 7 ? -0.866 -8.924 7.378 1.00 96.16 7 A 1 ATOM 51 C C . THR A 1 7 ? -1.392 -7.570 7.838 1.00 96.38 7 A 1 ATOM 52 O O . THR A 1 7 ? -2.510 -7.169 7.509 1.00 95.70 7 A 1 ATOM 53 C CB . THR A 1 7 ? -0.675 -8.927 5.860 1.00 96.14 7 A 1 ATOM 54 O OG1 . THR A 1 7 ? -0.205 -10.184 5.434 1.00 94.26 7 A 1 ATOM 55 C CG2 . THR A 1 7 ? 0.361 -7.897 5.402 1.00 94.17 7 A 1 ATOM 56 N N . THR A 1 8 ? -0.567 -6.857 8.570 1.00 97.16 8 A 1 ATOM 57 C CA . THR A 1 8 ? -0.897 -5.535 9.106 1.00 97.22 8 A 1 ATOM 58 C C . THR A 1 8 ? -0.459 -4.424 8.155 1.00 97.50 8 A 1 ATOM 59 O O . THR A 1 8 ? 0.462 -4.576 7.353 1.00 97.40 8 A 1 ATOM 60 C CB . THR A 1 8 ? -0.281 -5.339 10.496 1.00 96.82 8 A 1 ATOM 61 O OG1 . THR A 1 8 ? 1.119 -5.339 10.417 1.00 95.12 8 A 1 ATOM 62 C CG2 . THR A 1 8 ? -0.709 -6.415 11.495 1.00 94.29 8 A 1 ATOM 63 N N . THR A 1 9 ? -1.093 -3.259 8.266 1.00 97.43 9 A 1 ATOM 64 C CA . THR A 1 9 ? -0.676 -2.056 7.529 1.00 97.38 9 A 1 ATOM 65 C C . THR A 1 9 ? 0.746 -1.633 7.883 1.00 97.65 9 A 1 ATOM 66 O O . THR A 1 9 ? 1.460 -1.121 7.028 1.00 97.29 9 A 1 ATOM 67 C CB . THR A 1 9 ? -1.635 -0.891 7.802 1.00 96.21 9 A 1 ATOM 68 O OG1 . THR A 1 9 ? -1.827 -0.711 9.192 1.00 91.52 9 A 1 ATOM 69 C CG2 . THR A 1 9 ? -3.019 -1.157 7.202 1.00 90.00 9 A 1 ATOM 70 N N . TYR A 1 10 ? 1.165 -1.904 9.112 1.00 97.24 10 A 1 ATOM 71 C CA . TYR A 1 10 ? 2.517 -1.601 9.575 1.00 97.02 10 A 1 ATOM 72 C C . TYR A 1 10 ? 3.578 -2.450 8.863 1.00 97.37 10 A 1 ATOM 73 O O . TYR A 1 10 ? 4.572 -1.908 8.392 1.00 97.02 10 A 1 ATOM 74 C CB . TYR A 1 10 ? 2.580 -1.795 11.093 1.00 96.05 10 A 1 ATOM 75 C CG . TYR A 1 10 ? 3.881 -1.299 11.685 1.00 89.93 10 A 1 ATOM 76 C CD1 . TYR A 1 10 ? 4.967 -2.180 11.863 1.00 84.92 10 A 1 ATOM 77 C CD2 . TYR A 1 10 ? 4.025 0.066 12.012 1.00 83.90 10 A 1 ATOM 78 C CE1 . TYR A 1 10 ? 6.190 -1.700 12.364 1.00 79.21 10 A 1 ATOM 79 C CE2 . TYR A 1 10 ? 5.244 0.551 12.512 1.00 78.94 10 A 1 ATOM 80 C CZ . TYR A 1 10 ? 6.329 -0.333 12.685 1.00 77.69 10 A 1 ATOM 81 O OH . TYR A 1 10 ? 7.519 0.137 13.162 1.00 73.97 10 A 1 ATOM 82 N N . GLU A 1 11 ? 3.339 -3.753 8.708 1.00 97.32 11 A 1 ATOM 83 C CA . GLU A 1 11 ? 4.262 -4.637 7.973 1.00 97.41 11 A 1 ATOM 84 C C . GLU A 1 11 ? 4.400 -4.216 6.502 1.00 97.69 11 A 1 ATOM 85 O O . GLU A 1 11 ? 5.488 -4.281 5.929 1.00 97.47 11 A 1 ATOM 86 C CB . GLU A 1 11 ? 3.750 -6.080 8.030 1.00 97.24 11 A 1 ATOM 87 C CG . GLU A 1 11 ? 3.912 -6.720 9.418 1.00 95.20 11 A 1 ATOM 88 C CD . GLU A 1 11 ? 3.080 -8.004 9.513 1.00 93.83 11 A 1 ATOM 89 O OE1 . GLU A 1 11 ? 3.668 -9.087 9.673 1.00 87.74 11 A 1 ATOM 90 O OE2 . GLU A 1 11 ? 1.831 -7.878 9.420 1.00 89.23 11 A 1 ATOM 91 N N . VAL A 1 12 ? 3.309 -3.754 5.887 1.00 97.78 12 A 1 ATOM 92 C CA . VAL A 1 12 ? 3.347 -3.244 4.510 1.00 98.02 12 A 1 ATOM 93 C C . VAL A 1 12 ? 4.088 -1.912 4.444 1.00 98.09 12 A 1 ATOM 94 O O . VAL A 1 12 ? 4.902 -1.729 3.545 1.00 97.87 12 A 1 ATOM 95 C CB . VAL A 1 12 ? 1.936 -3.145 3.916 1.00 97.82 12 A 1 ATOM 96 C CG1 . VAL A 1 12 ? 1.955 -2.583 2.491 1.00 96.54 12 A 1 ATOM 97 C CG2 . VAL A 1 12 ? 1.303 -4.541 3.845 1.00 96.69 12 A 1 ATOM 98 N N . ALA A 1 13 ? 3.876 -1.019 5.402 1.00 98.00 13 A 1 ATOM 99 C CA . ALA A 1 13 ? 4.634 0.227 5.487 1.00 97.77 13 A 1 ATOM 100 C C . ALA A 1 13 ? 6.141 -0.041 5.647 1.00 97.54 13 A 1 ATOM 101 O O . ALA A 1 13 ? 6.951 0.557 4.944 1.00 97.01 13 A 1 ATOM 102 C CB . ALA A 1 13 ? 4.081 1.074 6.640 1.00 97.33 13 A 1 ATOM 103 N N . GLU A 1 14 ? 6.517 -0.998 6.486 1.00 97.60 14 A 1 ATOM 104 C CA . GLU A 1 14 ? 7.922 -1.404 6.653 1.00 97.20 14 A 1 ATOM 105 C C . GLU A 1 14 ? 8.518 -1.928 5.335 1.00 96.96 14 A 1 ATOM 106 O O . GLU A 1 14 ? 9.651 -1.588 4.984 1.00 95.98 14 A 1 ATOM 107 C CB . GLU A 1 14 ? 8.021 -2.448 7.781 1.00 96.58 14 A 1 ATOM 108 C CG . GLU A 1 14 ? 9.482 -2.724 8.171 1.00 87.77 14 A 1 ATOM 109 C CD . GLU A 1 14 ? 9.592 -3.706 9.347 1.00 83.37 14 A 1 ATOM 110 O OE1 . GLU A 1 14 ? 10.072 -4.840 9.125 1.00 75.96 14 A 1 ATOM 111 O OE2 . GLU A 1 14 ? 9.229 -3.314 10.482 1.00 77.03 14 A 1 ATOM 112 N N . LEU A 1 15 ? 7.739 -2.687 4.557 1.00 97.13 15 A 1 ATOM 113 C CA . LEU A 1 15 ? 8.153 -3.156 3.234 1.00 96.53 15 A 1 ATOM 114 C C . LEU A 1 15 ? 8.342 -2.006 2.232 1.00 96.48 15 A 1 ATOM 115 O O . LEU A 1 15 ? 9.201 -2.087 1.356 1.00 95.36 15 A 1 ATOM 116 C CB . LEU A 1 15 ? 7.109 -4.167 2.727 1.00 95.75 15 A 1 ATOM 117 C CG . LEU A 1 15 ? 7.467 -4.822 1.380 1.00 89.55 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? 8.655 -5.777 1.508 1.00 87.88 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? 6.270 -5.617 0.865 1.00 87.87 15 A 1 ATOM 120 N N . MET A 1 16 ? 7.552 -0.942 2.344 1.00 96.34 16 A 1 ATOM 121 C CA . MET A 1 16 ? 7.679 0.253 1.498 1.00 96.08 16 A 1 ATOM 122 C C . MET A 1 16 ? 8.934 1.067 1.826 1.00 95.44 16 A 1 ATOM 123 O O . MET A 1 16 ? 9.466 1.749 0.953 1.00 92.89 16 A 1 ATOM 124 C CB . MET A 1 16 ? 6.432 1.135 1.637 1.00 96.10 16 A 1 ATOM 125 C CG . MET A 1 16 ? 5.172 0.483 1.069 1.00 95.42 16 A 1 ATOM 126 S SD . MET A 1 16 ? 3.648 1.401 1.414 1.00 94.79 16 A 1 ATOM 127 C CE . MET A 1 16 ? 3.901 2.862 0.365 1.00 90.55 16 A 1 ATOM 128 N N . GLY A 1 17 ? 9.412 0.984 3.054 1.00 95.65 17 A 1 ATOM 129 C CA . GLY A 1 17 ? 10.628 1.643 3.520 1.00 94.80 17 A 1 ATOM 130 C C . GLY A 1 17 ? 10.451 2.335 4.869 1.00 95.48 17 A 1 ATOM 131 O O . GLY A 1 17 ? 9.344 2.600 5.317 1.00 93.99 17 A 1 ATOM 132 N N . SER A 1 18 ? 11.564 2.665 5.504 1.00 94.10 18 A 1 ATOM 133 C CA . SER A 1 18 ? 11.573 3.233 6.864 1.00 93.76 18 A 1 ATOM 134 C C . SER A 1 18 ? 10.916 4.617 6.987 1.00 93.97 18 A 1 ATOM 135 O O . SER A 1 18 ? 10.668 5.067 8.101 1.00 91.62 18 A 1 ATOM 136 C CB . SER A 1 18 ? 13.014 3.342 7.367 1.00 93.02 18 A 1 ATOM 137 O OG . SER A 1 18 ? 13.693 2.103 7.239 1.00 87.30 18 A 1 ATOM 138 N N . GLU A 1 19 ? 10.667 5.289 5.865 1.00 93.96 19 A 1 ATOM 139 C CA . GLU A 1 19 ? 9.998 6.600 5.837 1.00 93.71 19 A 1 ATOM 140 C C . GLU A 1 19 ? 8.474 6.476 5.651 1.00 94.46 19 A 1 ATOM 141 O O . GLU A 1 19 ? 7.759 7.462 5.817 1.00 93.15 19 A 1 ATOM 142 C CB . GLU A 1 19 ? 10.608 7.486 4.736 1.00 92.11 19 A 1 ATOM 143 C CG . GLU A 1 19 ? 12.105 7.741 4.941 1.00 81.31 19 A 1 ATOM 144 C CD . GLU A 1 19 ? 12.641 8.793 3.955 1.00 74.04 19 A 1 ATOM 145 O OE1 . GLU A 1 19 ? 12.913 9.923 4.408 1.00 65.88 19 A 1 ATOM 146 O OE2 . GLU A 1 19 ? 12.808 8.454 2.757 1.00 66.63 19 A 1 ATOM 147 N N . ALA A 1 20 ? 7.978 5.284 5.314 1.00 95.96 20 A 1 ATOM 148 C CA . ALA A 1 20 ? 6.553 5.053 5.155 1.00 96.18 20 A 1 ATOM 149 C C . ALA A 1 20 ? 5.868 4.974 6.527 1.00 96.12 20 A 1 ATOM 150 O O . ALA A 1 20 ? 6.356 4.321 7.450 1.00 95.30 20 A 1 ATOM 151 C CB . ALA A 1 20 ? 6.330 3.791 4.315 1.00 95.87 20 A 1 ATOM 152 N N . ASP A 1 21 ? 4.727 5.628 6.639 1.00 96.40 21 A 1 ATOM 153 C CA . ASP A 1 21 ? 3.904 5.605 7.843 1.00 95.81 21 A 1 ATOM 154 C C . ASP A 1 21 ? 2.714 4.631 7.719 1.00 96.43 21 A 1 ATOM 155 O O . ASP A 1 21 ? 2.507 3.961 6.704 1.00 96.02 21 A 1 ATOM 156 C CB . ASP A 1 21 ? 3.520 7.051 8.234 1.00 93.76 21 A 1 ATOM 157 C CG . ASP A 1 21 ? 2.588 7.778 7.257 1.00 91.94 21 A 1 ATOM 158 O OD1 . ASP A 1 21 ? 1.767 7.116 6.604 1.00 88.89 21 A 1 ATOM 159 O OD2 . ASP A 1 21 ? 2.629 9.029 7.195 1.00 87.40 21 A 1 ATOM 160 N N . GLU A 1 22 ? 1.915 4.532 8.770 1.00 95.27 22 A 1 ATOM 161 C CA . GLU A 1 22 ? 0.742 3.650 8.786 1.00 95.14 22 A 1 ATOM 162 C C . GLU A 1 22 ? -0.268 4.004 7.674 1.00 95.40 22 A 1 ATOM 163 O O . GLU A 1 22 ? -0.928 3.114 7.128 1.00 94.94 22 A 1 ATOM 164 C CB . GLU A 1 22 ? 0.069 3.726 10.172 1.00 94.37 22 A 1 ATOM 165 C CG . GLU A 1 22 ? -1.044 2.684 10.320 1.00 88.53 22 A 1 ATOM 166 C CD . GLU A 1 22 ? -1.744 2.770 11.677 1.00 84.64 22 A 1 ATOM 167 O OE1 . GLU A 1 22 ? -2.820 3.404 11.740 1.00 76.93 22 A 1 ATOM 168 O OE2 . GLU A 1 22 ? -1.223 2.170 12.642 1.00 78.47 22 A 1 ATOM 169 N N . LEU A 1 23 ? -0.378 5.286 7.322 1.00 95.40 23 A 1 ATOM 170 C CA . LEU A 1 23 ? -1.265 5.737 6.255 1.00 95.42 23 A 1 ATOM 171 C C . LEU A 1 23 ? -0.787 5.218 4.896 1.00 95.99 23 A 1 ATOM 172 O O . LEU A 1 23 ? -1.600 4.698 4.132 1.00 96.01 23 A 1 ATOM 173 C CB . LEU A 1 23 ? -1.370 7.271 6.293 1.00 94.41 23 A 1 ATOM 174 C CG . LEU A 1 23 ? -2.190 7.874 5.146 1.00 92.01 23 A 1 ATOM 175 C CD1 . LEU A 1 23 ? -3.650 7.404 5.177 1.00 90.27 23 A 1 ATOM 176 C CD2 . LEU A 1 23 ? -2.160 9.397 5.256 1.00 89.41 23 A 1 ATOM 177 N N . ASP A 1 24 ? 0.513 5.283 4.624 1.00 96.23 24 A 1 ATOM 178 C CA . ASP A 1 24 ? 1.108 4.724 3.410 1.00 96.24 24 A 1 ATOM 179 C C . ASP A 1 24 ? 0.856 3.214 3.327 1.00 96.80 24 A 1 ATOM 180 O O . ASP A 1 24 ? 0.390 2.714 2.302 1.00 96.75 24 A 1 ATOM 181 C CB . ASP A 1 24 ? 2.617 5.014 3.375 1.00 95.25 24 A 1 ATOM 182 C CG . ASP A 1 24 ? 2.923 6.509 3.269 1.00 92.76 24 A 1 ATOM 183 O OD1 . ASP A 1 24 ? 2.336 7.176 2.389 1.00 90.06 24 A 1 ATOM 184 O OD2 . ASP A 1 24 ? 3.717 7.008 4.090 1.00 88.87 24 A 1 ATOM 185 N N . GLY A 1 25 ? 1.063 2.498 4.429 1.00 97.25 25 A 1 ATOM 186 C CA . GLY A 1 25 ? 0.765 1.069 4.511 1.00 97.42 25 A 1 ATOM 187 C C . GLY A 1 25 ? -0.711 0.757 4.270 1.00 97.49 25 A 1 ATOM 188 O O . GLY A 1 25 ? -1.043 -0.207 3.575 1.00 97.33 25 A 1 ATOM 189 N N . ARG A 1 26 ? -1.604 1.590 4.774 1.00 97.02 26 A 1 ATOM 190 C CA . ARG A 1 26 ? -3.049 1.446 4.559 1.00 96.91 26 A 1 ATOM 191 C C . ARG A 1 26 ? -3.439 1.677 3.100 1.00 97.16 26 A 1 ATOM 192 O O . ARG A 1 26 ? -4.246 0.912 2.563 1.00 96.76 26 A 1 ATOM 193 C CB . ARG A 1 26 ? -3.788 2.396 5.504 1.00 95.74 26 A 1 ATOM 194 C CG . ARG A 1 26 ? -5.304 2.166 5.450 1.00 87.77 26 A 1 ATOM 195 C CD . ARG A 1 26 ? -5.990 3.049 6.489 1.00 83.80 26 A 1 ATOM 196 N NE . ARG A 1 26 ? -7.437 2.778 6.544 1.00 70.84 26 A 1 ATOM 197 C CZ . ARG A 1 26 ? -8.253 3.119 7.523 1.00 64.24 26 A 1 ATOM 198 N NH1 . ARG A 1 26 ? -7.829 3.781 8.567 1.00 57.87 26 A 1 ATOM 199 N NH2 . ARG A 1 26 ? -9.514 2.791 7.471 1.00 53.11 26 A 1 ATOM 200 N N . ILE A 1 27 ? -2.886 2.703 2.471 1.00 97.25 27 A 1 ATOM 201 C CA . ILE A 1 27 ? -3.114 2.985 1.050 1.00 97.32 27 A 1 ATOM 202 C C . ILE A 1 27 ? -2.583 1.823 0.210 1.00 97.60 27 A 1 ATOM 203 O O . ILE A 1 27 ? -3.315 1.293 -0.628 1.00 97.56 27 A 1 ATOM 204 C CB . ILE A 1 27 ? -2.477 4.337 0.652 1.00 96.93 27 A 1 ATOM 205 C CG1 . ILE A 1 27 ? -3.212 5.511 1.340 1.00 95.86 27 A 1 ATOM 206 C CG2 . ILE A 1 27 ? -2.524 4.522 -0.876 1.00 95.85 27 A 1 ATOM 207 C CD1 . ILE A 1 27 ? -2.446 6.838 1.268 1.00 93.30 27 A 1 ATOM 208 N N . MET A 1 28 ? -1.364 1.372 0.482 1.00 97.85 28 A 1 ATOM 209 C CA . MET A 1 28 ? -0.751 0.253 -0.232 1.00 98.02 28 A 1 ATOM 210 C C . MET A 1 28 ? -1.570 -1.035 -0.085 1.00 97.83 28 A 1 ATOM 211 O O . MET A 1 28 ? -1.826 -1.696 -1.086 1.00 97.56 28 A 1 ATOM 212 C CB . MET A 1 28 ? 0.692 0.065 0.254 1.00 98.06 28 A 1 ATOM 213 C CG . MET A 1 28 ? 1.414 -1.037 -0.521 1.00 96.87 28 A 1 ATOM 214 S SD . MET A 1 28 ? 1.511 -0.790 -2.318 1.00 95.80 28 A 1 ATOM 215 C CE . MET A 1 28 ? 2.858 0.411 -2.389 1.00 91.61 28 A 1 ATOM 216 N N . MET A 1 29 ? -2.057 -1.364 1.109 1.00 97.55 29 A 1 ATOM 217 C CA . MET A 1 29 ? -2.955 -2.513 1.304 1.00 97.28 29 A 1 ATOM 218 C C . MET A 1 29 ? -4.203 -2.428 0.418 1.00 97.25 29 A 1 ATOM 219 O O . MET A 1 29 ? -4.626 -3.431 -0.157 1.00 96.66 29 A 1 ATOM 220 C CB . MET A 1 29 ? -3.380 -2.611 2.777 1.00 96.44 29 A 1 ATOM 221 C CG . MET A 1 29 ? -2.314 -3.275 3.643 1.00 85.54 29 A 1 ATOM 222 S SD . MET A 1 29 ? -2.035 -5.033 3.282 1.00 80.87 29 A 1 ATOM 223 C CE . MET A 1 29 ? -3.539 -5.774 3.966 1.00 70.62 29 A 1 ATOM 224 N N . GLY A 1 30 ? -4.772 -1.239 0.275 1.00 97.13 30 A 1 ATOM 225 C CA . GLY A 1 30 ? -5.903 -1.000 -0.621 1.00 96.95 30 A 1 ATOM 226 C C . GLY A 1 30 ? -5.547 -1.240 -2.090 1.00 97.43 30 A 1 ATOM 227 O O . GLY A 1 30 ? -6.311 -1.888 -2.805 1.00 97.18 30 A 1 ATOM 228 N N . LEU A 1 31 ? -4.372 -0.784 -2.524 1.00 97.69 31 A 1 ATOM 229 C CA . LEU A 1 31 ? -3.880 -0.997 -3.887 1.00 97.93 31 A 1 ATOM 230 C C . LEU A 1 31 ? -3.595 -2.477 -4.158 1.00 97.92 31 A 1 ATOM 231 O O . LEU A 1 31 ? -4.067 -3.010 -5.158 1.00 97.67 31 A 1 ATOM 232 C CB . LEU A 1 31 ? -2.621 -0.147 -4.128 1.00 98.06 31 A 1 ATOM 233 C CG . LEU A 1 31 ? -2.837 1.375 -4.065 1.00 97.52 31 A 1 ATOM 234 C CD1 . LEU A 1 31 ? -1.497 2.081 -4.244 1.00 96.96 31 A 1 ATOM 235 C CD2 . LEU A 1 31 ? -3.790 1.878 -5.149 1.00 96.92 31 A 1 ATOM 236 N N . LEU A 1 32 ? -2.913 -3.160 -3.240 1.00 97.88 32 A 1 ATOM 237 C CA . LEU A 1 32 ? -2.638 -4.594 -3.352 1.00 97.73 32 A 1 ATOM 238 C C . LEU A 1 32 ? -3.937 -5.404 -3.433 1.00 97.48 32 A 1 ATOM 239 O O . LEU A 1 32 ? -4.058 -6.294 -4.271 1.00 97.00 32 A 1 ATOM 240 C CB . LEU A 1 32 ? -1.790 -5.050 -2.153 1.00 97.77 32 A 1 ATOM 241 C CG . LEU A 1 32 ? -0.356 -4.494 -2.113 1.00 97.44 32 A 1 ATOM 242 C CD1 . LEU A 1 32 ? 0.298 -4.867 -0.785 1.00 96.96 32 A 1 ATOM 243 C CD2 . LEU A 1 32 ? 0.514 -5.028 -3.244 1.00 96.96 32 A 1 ATOM 244 N N . SER A 1 33 ? -4.930 -5.050 -2.628 1.00 96.79 33 A 1 ATOM 245 C CA . SER A 1 33 ? -6.250 -5.681 -2.679 1.00 96.25 33 A 1 ATOM 246 C C . SER A 1 33 ? -6.964 -5.417 -4.006 1.00 96.32 33 A 1 ATOM 247 O O . SER A 1 33 ? -7.565 -6.335 -4.562 1.00 95.48 33 A 1 ATOM 248 C CB . SER A 1 33 ? -7.100 -5.182 -1.512 1.00 95.21 33 A 1 ATOM 249 O OG . SER A 1 33 ? -8.345 -5.863 -1.490 1.00 78.14 33 A 1 ATOM 250 N N . ARG A 1 34 ? -6.887 -4.198 -4.539 1.00 96.89 34 A 1 ATOM 251 C CA . ARG A 1 34 ? -7.474 -3.824 -5.837 1.00 97.09 34 A 1 ATOM 252 C C . ARG A 1 34 ? -6.860 -4.632 -6.977 1.00 97.08 34 A 1 ATOM 253 O O . ARG A 1 34 ? -7.585 -5.113 -7.841 1.00 96.57 34 A 1 ATOM 254 C CB . ARG A 1 34 ? -7.274 -2.317 -6.066 1.00 96.95 34 A 1 ATOM 255 C CG . ARG A 1 34 ? -7.964 -1.813 -7.351 1.00 95.39 34 A 1 ATOM 256 C CD . ARG A 1 34 ? -7.563 -0.368 -7.663 1.00 93.28 34 A 1 ATOM 257 N NE . ARG A 1 34 ? -6.202 -0.292 -8.218 1.00 89.04 34 A 1 ATOM 258 C CZ . ARG A 1 34 ? -5.517 0.800 -8.514 1.00 85.76 34 A 1 ATOM 259 N NH1 . ARG A 1 34 ? -5.977 1.999 -8.278 1.00 80.70 34 A 1 ATOM 260 N NH2 . ARG A 1 34 ? -4.348 0.699 -9.070 1.00 81.37 34 A 1 ATOM 261 N N . GLU A 1 35 ? -5.550 -4.799 -6.944 1.00 96.86 35 A 1 ATOM 262 C CA . GLU A 1 35 ? -4.800 -5.560 -7.949 1.00 96.64 35 A 1 ATOM 263 C C . GLU A 1 35 ? -4.826 -7.081 -7.696 1.00 96.79 35 A 1 ATOM 264 O O . GLU A 1 35 ? -4.205 -7.847 -8.429 1.00 95.68 35 A 1 ATOM 265 C CB . GLU A 1 35 ? -3.362 -5.025 -8.039 1.00 96.52 35 A 1 ATOM 266 C CG . GLU A 1 35 ? -3.248 -3.535 -8.410 1.00 94.08 35 A 1 ATOM 267 C CD . GLU A 1 35 ? -3.994 -3.150 -9.697 1.00 91.92 35 A 1 ATOM 268 O OE1 . GLU A 1 35 ? -4.745 -2.143 -9.653 1.00 84.98 35 A 1 ATOM 269 O OE2 . GLU A 1 35 ? -3.830 -3.858 -10.709 1.00 85.85 35 A 1 ATOM 270 N N . CYS A 1 36 ? -5.549 -7.537 -6.672 1.00 96.63 36 A 1 ATOM 271 C CA . CYS A 1 36 ? -5.623 -8.943 -6.260 1.00 96.30 36 A 1 ATOM 272 C C . CYS A 1 36 ? -4.248 -9.577 -5.975 1.00 96.60 36 A 1 ATOM 273 O O . CYS A 1 36 ? -4.059 -10.777 -6.177 1.00 95.27 36 A 1 ATOM 274 C CB . CYS A 1 36 ? -6.463 -9.744 -7.268 1.00 95.21 36 A 1 ATOM 275 S SG . CYS A 1 36 ? -8.166 -9.106 -7.350 1.00 88.91 36 A 1 ATOM 276 N N . VAL A 1 37 ? -3.298 -8.792 -5.496 1.00 97.18 37 A 1 ATOM 277 C CA . VAL A 1 37 ? -1.954 -9.261 -5.151 1.00 97.25 37 A 1 ATOM 278 C C . VAL A 1 37 ? -2.007 -10.007 -3.822 1.00 97.10 37 A 1 ATOM 279 O O . VAL A 1 37 ? -2.381 -9.448 -2.796 1.00 96.25 37 A 1 ATOM 280 C CB . VAL A 1 37 ? -0.947 -8.104 -5.100 1.00 97.10 37 A 1 ATOM 281 C CG1 . VAL A 1 37 ? 0.452 -8.594 -4.711 1.00 96.26 37 A 1 ATOM 282 C CG2 . VAL A 1 37 ? -0.850 -7.405 -6.459 1.00 96.37 37 A 1 ATOM 283 N N . VAL A 1 38 ? -1.608 -11.280 -3.853 1.00 96.99 38 A 1 ATOM 284 C CA . VAL A 1 38 ? -1.554 -12.147 -2.663 1.00 96.68 38 A 1 ATOM 285 C C . VAL A 1 38 ? -0.127 -12.404 -2.179 1.00 97.20 38 A 1 ATOM 286 O O . VAL A 1 38 ? 0.067 -12.864 -1.058 1.00 96.13 38 A 1 ATOM 287 C CB . VAL A 1 38 ? -2.290 -13.478 -2.903 1.00 95.06 38 A 1 ATOM 288 C CG1 . VAL A 1 38 ? -3.787 -13.237 -3.162 1.00 89.65 38 A 1 ATOM 289 C CG2 . VAL A 1 38 ? -1.702 -14.275 -4.074 1.00 88.92 38 A 1 ATOM 290 N N . ASP A 1 39 ? 0.859 -12.115 -3.007 1.00 97.39 39 A 1 ATOM 291 C CA . ASP A 1 39 ? 2.272 -12.176 -2.656 1.00 97.73 39 A 1 ATOM 292 C C . ASP A 1 39 ? 3.018 -11.045 -3.363 1.00 97.83 39 A 1 ATOM 293 O O . ASP A 1 39 ? 2.948 -10.916 -4.582 1.00 97.26 39 A 1 ATOM 294 C CB . ASP A 1 39 ? 2.855 -13.556 -3.010 1.00 97.22 39 A 1 ATOM 295 C CG . ASP A 1 39 ? 4.124 -13.859 -2.212 1.00 95.54 39 A 1 ATOM 296 O OD1 . ASP A 1 39 ? 4.842 -12.901 -1.861 1.00 92.21 39 A 1 ATOM 297 O OD2 . ASP A 1 39 ? 4.292 -15.045 -1.822 1.00 91.18 39 A 1 ATOM 298 N N . THR A 1 40 ? 3.703 -10.198 -2.606 1.00 97.60 40 A 1 ATOM 299 C CA . THR A 1 40 ? 4.474 -9.099 -3.198 1.00 97.51 40 A 1 ATOM 300 C C . THR A 1 40 ? 5.716 -9.593 -3.922 1.00 97.38 40 A 1 ATOM 301 O O . THR A 1 40 ? 6.239 -8.864 -4.755 1.00 96.85 40 A 1 ATOM 302 C CB . THR A 1 40 ? 4.867 -8.038 -2.165 1.00 97.10 40 A 1 ATOM 303 O OG1 . THR A 1 40 ? 5.653 -8.602 -1.143 1.00 95.39 40 A 1 ATOM 304 C CG2 . THR A 1 40 ? 3.647 -7.390 -1.516 1.00 95.16 40 A 1 ATOM 305 N N . ASP A 1 41 ? 6.162 -10.817 -3.639 1.00 97.37 41 A 1 ATOM 306 C CA . ASP A 1 41 ? 7.299 -11.430 -4.336 1.00 96.87 41 A 1 ATOM 307 C C . ASP A 1 41 ? 6.934 -11.847 -5.775 1.00 97.12 41 A 1 ATOM 308 O O . ASP A 1 41 ? 7.821 -12.038 -6.602 1.00 95.84 41 A 1 ATOM 309 C CB . ASP A 1 41 ? 7.832 -12.624 -3.522 1.00 95.39 41 A 1 ATOM 310 C CG . ASP A 1 41 ? 8.372 -12.254 -2.127 1.00 90.70 41 A 1 ATOM 311 O OD1 . ASP A 1 41 ? 8.781 -11.090 -1.913 1.00 85.87 41 A 1 ATOM 312 O OD2 . ASP A 1 41 ? 8.392 -13.142 -1.244 1.00 85.29 41 A 1 ATOM 313 N N . ASP A 1 42 ? 5.646 -11.924 -6.096 1.00 97.31 42 A 1 ATOM 314 C CA . ASP A 1 42 ? 5.161 -12.155 -7.463 1.00 97.14 42 A 1 ATOM 315 C C . ASP A 1 42 ? 5.190 -10.878 -8.325 1.00 97.46 42 A 1 ATOM 316 O O . ASP A 1 42 ? 5.030 -10.940 -9.550 1.00 96.40 42 A 1 ATOM 317 C CB . ASP A 1 42 ? 3.731 -12.723 -7.427 1.00 96.14 42 A 1 ATOM 318 C CG . ASP A 1 42 ? 3.618 -14.149 -6.881 1.00 92.37 42 A 1 ATOM 319 O OD1 . ASP A 1 42 ? 4.585 -14.931 -7.034 1.00 89.34 42 A 1 ATOM 320 O OD2 . ASP A 1 42 ? 2.510 -14.492 -6.402 1.00 88.42 42 A 1 ATOM 321 N N . LEU A 1 43 ? 5.378 -9.711 -7.711 1.00 97.80 43 A 1 ATOM 322 C CA . LEU A 1 43 ? 5.489 -8.438 -8.410 1.00 97.73 43 A 1 ATOM 323 C C . LEU A 1 43 ? 6.917 -8.235 -8.916 1.00 97.81 43 A 1 ATOM 324 O O . LEU A 1 43 ? 7.887 -8.447 -8.194 1.00 97.29 43 A 1 ATOM 325 C CB . LEU A 1 43 ? 5.066 -7.278 -7.499 1.00 97.51 43 A 1 ATOM 326 C CG . LEU A 1 43 ? 3.600 -7.327 -7.037 1.00 96.55 43 A 1 ATOM 327 C CD1 . LEU A 1 43 ? 3.347 -6.183 -6.057 1.00 95.30 43 A 1 ATOM 328 C CD2 . LEU A 1 43 ? 2.622 -7.189 -8.204 1.00 95.26 43 A 1 ATOM 329 N N . SER A 1 44 ? 7.039 -7.748 -10.142 1.00 97.80 44 A 1 ATOM 330 C CA . SER A 1 44 ? 8.312 -7.199 -10.603 1.00 97.80 44 A 1 ATOM 331 C C . SER A 1 44 ? 8.649 -5.907 -9.848 1.00 97.71 44 A 1 ATOM 332 O O . SER A 1 44 ? 7.763 -5.223 -9.328 1.00 97.52 44 A 1 ATOM 333 C CB . SER A 1 44 ? 8.294 -6.966 -12.117 1.00 97.67 44 A 1 ATOM 334 O OG . SER A 1 44 ? 7.380 -5.950 -12.473 1.00 95.43 44 A 1 ATOM 335 N N . GLU A 1 45 ? 9.925 -5.545 -9.845 1.00 97.38 45 A 1 ATOM 336 C CA . GLU A 1 45 ? 10.380 -4.278 -9.260 1.00 97.04 45 A 1 ATOM 337 C C . GLU A 1 45 ? 9.622 -3.077 -9.852 1.00 97.14 45 A 1 ATOM 338 O O . GLU A 1 45 ? 9.134 -2.227 -9.109 1.00 97.08 45 A 1 ATOM 339 C CB . GLU A 1 45 ? 11.898 -4.156 -9.478 1.00 96.26 45 A 1 ATOM 340 C CG . GLU A 1 45 ? 12.490 -2.925 -8.778 1.00 86.90 45 A 1 ATOM 341 C CD . GLU A 1 45 ? 14.021 -2.919 -8.916 1.00 80.68 45 A 1 ATOM 342 O OE1 . GLU A 1 45 ? 14.521 -2.421 -9.947 1.00 74.24 45 A 1 ATOM 343 O OE2 . GLU A 1 45 ? 14.697 -3.444 -8.003 1.00 75.86 45 A 1 ATOM 344 N N . ASP A 1 46 ? 9.428 -3.053 -11.171 1.00 98.05 46 A 1 ATOM 345 C CA . ASP A 1 46 ? 8.676 -1.987 -11.844 1.00 98.27 46 A 1 ATOM 346 C C . ASP A 1 46 ? 7.216 -1.908 -11.374 1.00 98.27 46 A 1 ATOM 347 O O . ASP A 1 46 ? 6.681 -0.818 -11.169 1.00 97.98 46 A 1 ATOM 348 C CB . ASP A 1 46 ? 8.694 -2.218 -13.362 1.00 98.07 46 A 1 ATOM 349 C CG . ASP A 1 46 ? 10.072 -2.026 -13.996 1.00 90.80 46 A 1 ATOM 350 O OD1 . ASP A 1 46 ? 10.745 -1.031 -13.658 1.00 85.35 46 A 1 ATOM 351 O OD2 . ASP A 1 46 ? 10.425 -2.862 -14.858 1.00 86.93 46 A 1 ATOM 352 N N . GLN A 1 47 ? 6.563 -3.056 -11.179 1.00 98.19 47 A 1 ATOM 353 C CA . GLN A 1 47 ? 5.190 -3.098 -10.672 1.00 97.98 47 A 1 ATOM 354 C C . GLN A 1 47 ? 5.115 -2.603 -9.227 1.00 98.04 47 A 1 ATOM 355 O O . GLN A 1 47 ? 4.203 -1.850 -8.885 1.00 97.86 47 A 1 ATOM 356 C CB . GLN A 1 47 ? 4.642 -4.529 -10.753 1.00 97.74 47 A 1 ATOM 357 C CG . GLN A 1 47 ? 4.317 -4.955 -12.187 1.00 95.33 47 A 1 ATOM 358 C CD . GLN A 1 47 ? 3.995 -6.447 -12.253 1.00 94.00 47 A 1 ATOM 359 O OE1 . GLN A 1 47 ? 4.741 -7.297 -11.801 1.00 88.60 47 A 1 ATOM 360 N NE2 . GLN A 1 47 ? 2.876 -6.824 -12.823 1.00 86.38 47 A 1 ATOM 361 N N . TRP A 1 48 ? 6.072 -2.993 -8.396 1.00 97.89 48 A 1 ATOM 362 C CA . TRP A 1 48 ? 6.147 -2.527 -7.014 1.00 97.94 48 A 1 ATOM 363 C C . TRP A 1 48 ? 6.374 -1.014 -6.941 1.00 98.05 48 A 1 ATOM 364 O O . TRP A 1 48 ? 5.651 -0.314 -6.229 1.00 97.86 48 A 1 ATOM 365 C CB . TRP A 1 48 ? 7.252 -3.296 -6.286 1.00 97.67 48 A 1 ATOM 366 C CG . TRP A 1 48 ? 7.396 -2.898 -4.852 1.00 97.67 48 A 1 ATOM 367 C CD1 . TRP A 1 48 ? 8.455 -2.260 -4.308 1.00 96.86 48 A 1 ATOM 368 C CD2 . TRP A 1 48 ? 6.425 -3.064 -3.777 1.00 97.45 48 A 1 ATOM 369 N NE1 . TRP A 1 48 ? 8.217 -2.029 -2.967 1.00 96.25 48 A 1 ATOM 370 C CE2 . TRP A 1 48 ? 6.973 -2.495 -2.590 1.00 96.89 48 A 1 ATOM 371 C CE3 . TRP A 1 48 ? 5.134 -3.622 -3.689 1.00 96.67 48 A 1 ATOM 372 C CZ2 . TRP A 1 48 ? 6.274 -2.480 -1.372 1.00 96.19 48 A 1 ATOM 373 C CZ3 . TRP A 1 48 ? 4.427 -3.612 -2.473 1.00 96.01 48 A 1 ATOM 374 C CH2 . TRP A 1 48 ? 4.990 -3.038 -1.320 1.00 95.82 48 A 1 ATOM 375 N N . LEU A 1 49 ? 7.304 -0.489 -7.736 1.00 97.59 49 A 1 ATOM 376 C CA . LEU A 1 49 ? 7.560 0.949 -7.825 1.00 97.38 49 A 1 ATOM 377 C C . LEU A 1 49 ? 6.338 1.717 -8.345 1.00 97.56 49 A 1 ATOM 378 O O . LEU A 1 49 ? 6.023 2.784 -7.820 1.00 97.52 49 A 1 ATOM 379 C CB . LEU A 1 49 ? 8.776 1.193 -8.733 1.00 96.93 49 A 1 ATOM 380 C CG . LEU A 1 49 ? 10.127 0.762 -8.130 1.00 92.41 49 A 1 ATOM 381 C CD1 . LEU A 1 49 ? 11.226 0.937 -9.180 1.00 91.07 49 A 1 ATOM 382 C CD2 . LEU A 1 49 ? 10.509 1.590 -6.900 1.00 91.19 49 A 1 ATOM 383 N N . ALA A 1 50 ? 5.614 1.163 -9.315 1.00 98.10 50 A 1 ATOM 384 C CA . ALA A 1 50 ? 4.374 1.763 -9.804 1.00 98.21 50 A 1 ATOM 385 C C . ALA A 1 50 ? 3.297 1.837 -8.708 1.00 98.29 50 A 1 ATOM 386 O O . ALA A 1 50 ? 2.610 2.852 -8.593 1.00 98.12 50 A 1 ATOM 387 C CB . ALA A 1 50 ? 3.889 0.975 -11.025 1.00 98.08 50 A 1 ATOM 388 N N . LEU A 1 51 ? 3.178 0.805 -7.873 1.00 98.24 51 A 1 ATOM 389 C CA . LEU A 1 51 ? 2.257 0.824 -6.732 1.00 98.22 51 A 1 ATOM 390 C C . LEU A 1 51 ? 2.674 1.853 -5.676 1.00 98.14 51 A 1 ATOM 391 O O . LEU A 1 51 ? 1.812 2.540 -5.132 1.00 97.88 51 A 1 ATOM 392 C CB . LEU A 1 51 ? 2.164 -0.578 -6.112 1.00 98.23 51 A 1 ATOM 393 C CG . LEU A 1 51 ? 1.401 -1.612 -6.957 1.00 97.52 51 A 1 ATOM 394 C CD1 . LEU A 1 51 ? 1.582 -2.996 -6.339 1.00 96.48 51 A 1 ATOM 395 C CD2 . LEU A 1 51 ? -0.096 -1.316 -7.022 1.00 96.38 51 A 1 ATOM 396 N N . ILE A 1 52 ? 3.969 2.006 -5.420 1.00 97.79 52 A 1 ATOM 397 C CA . ILE A 1 52 ? 4.474 3.059 -4.527 1.00 97.44 52 A 1 ATOM 398 C C . ILE A 1 52 ? 4.118 4.441 -5.087 1.00 97.48 52 A 1 ATOM 399 O O . ILE A 1 52 ? 3.545 5.256 -4.367 1.00 97.41 52 A 1 ATOM 400 C CB . ILE A 1 52 ? 5.991 2.904 -4.268 1.00 97.08 52 A 1 ATOM 401 C CG1 . ILE A 1 52 ? 6.248 1.651 -3.401 1.00 95.63 52 A 1 ATOM 402 C CG2 . ILE A 1 52 ? 6.569 4.157 -3.574 1.00 95.46 52 A 1 ATOM 403 C CD1 . ILE A 1 52 ? 7.725 1.292 -3.229 1.00 88.95 52 A 1 ATOM 404 N N . ASP A 1 53 ? 4.388 4.699 -6.368 1.00 97.35 53 A 1 ATOM 405 C CA . ASP A 1 53 ? 4.049 5.975 -7.019 1.00 97.47 53 A 1 ATOM 406 C C . ASP A 1 53 ? 2.540 6.259 -6.956 1.00 97.67 53 A 1 ATOM 407 O O . ASP A 1 53 ? 2.113 7.361 -6.596 1.00 97.62 53 A 1 ATOM 408 C CB . ASP A 1 53 ? 4.551 5.949 -8.473 1.00 97.19 53 A 1 ATOM 409 C CG . ASP A 1 53 ? 4.281 7.269 -9.212 1.00 84.63 53 A 1 ATOM 410 O OD1 . ASP A 1 53 ? 4.828 8.313 -8.796 1.00 80.71 53 A 1 ATOM 411 O OD2 . ASP A 1 53 ? 3.527 7.256 -10.213 1.00 79.13 53 A 1 ATOM 412 N N . GLU A 1 54 ? 1.729 5.246 -7.217 1.00 97.85 54 A 1 ATOM 413 C CA . GLU A 1 54 ? 0.272 5.355 -7.108 1.00 97.92 54 A 1 ATOM 414 C C . GLU A 1 54 ? -0.172 5.638 -5.666 1.00 97.84 54 A 1 ATOM 415 O O . GLU A 1 54 ? -1.019 6.501 -5.444 1.00 97.49 54 A 1 ATOM 416 C CB . GLU A 1 54 ? -0.366 4.072 -7.653 1.00 97.99 54 A 1 ATOM 417 C CG . GLU A 1 54 ? -1.898 4.133 -7.739 1.00 93.95 54 A 1 ATOM 418 C CD . GLU A 1 54 ? -2.450 5.038 -8.856 1.00 91.50 54 A 1 ATOM 419 O OE1 . GLU A 1 54 ? -3.684 4.968 -9.062 1.00 85.07 54 A 1 ATOM 420 O OE2 . GLU A 1 54 ? -1.670 5.747 -9.530 1.00 86.59 54 A 1 ATOM 421 N N . SER A 1 55 ? 0.431 4.986 -4.673 1.00 97.37 55 A 1 ATOM 422 C CA . SER A 1 55 ? 0.115 5.245 -3.264 1.00 96.89 55 A 1 ATOM 423 C C . SER A 1 55 ? 0.395 6.698 -2.872 1.00 96.53 55 A 1 ATOM 424 O O . SER A 1 55 ? -0.417 7.326 -2.191 1.00 96.00 55 A 1 ATOM 425 C CB . SER A 1 55 ? 0.850 4.263 -2.342 1.00 96.49 55 A 1 ATOM 426 O OG . SER A 1 55 ? 2.205 4.605 -2.131 1.00 88.97 55 A 1 ATOM 427 N N . GLN A 1 56 ? 1.481 7.273 -3.385 1.00 95.86 56 A 1 ATOM 428 C CA . GLN A 1 56 ? 1.829 8.672 -3.155 1.00 95.37 56 A 1 ATOM 429 C C . GLN A 1 56 ? 0.868 9.635 -3.866 1.00 95.58 56 A 1 ATOM 430 O O . GLN A 1 56 ? 0.585 10.720 -3.350 1.00 95.12 56 A 1 ATOM 431 C CB . GLN A 1 56 ? 3.253 8.934 -3.645 1.00 94.69 56 A 1 ATOM 432 C CG . GLN A 1 56 ? 4.323 8.229 -2.805 1.00 89.42 56 A 1 ATOM 433 C CD . GLN A 1 56 ? 5.728 8.495 -3.341 1.00 82.00 56 A 1 ATOM 434 O OE1 . GLN A 1 56 ? 5.938 9.152 -4.351 1.00 74.29 56 A 1 ATOM 435 N NE2 . GLN A 1 56 ? 6.746 8.013 -2.665 1.00 70.82 56 A 1 ATOM 436 N N . LYS A 1 57 ? 0.360 9.266 -5.039 1.00 96.05 57 A 1 ATOM 437 C CA . LYS A 1 57 ? -0.693 10.037 -5.718 1.00 96.17 57 A 1 ATOM 438 C C . LYS A 1 57 ? -1.982 10.017 -4.914 1.00 95.94 57 A 1 ATOM 439 O O . LYS A 1 57 ? -2.510 11.086 -4.618 1.00 95.44 57 A 1 ATOM 440 C CB . LYS A 1 57 ? -0.943 9.503 -7.127 1.00 96.09 57 A 1 ATOM 441 C CG . LYS A 1 57 ? 0.199 9.854 -8.077 1.00 84.07 57 A 1 ATOM 442 C CD . LYS A 1 57 ? -0.012 9.114 -9.396 1.00 83.75 57 A 1 ATOM 443 C CE . LYS A 1 57 ? 1.207 9.321 -10.277 1.00 74.22 57 A 1 ATOM 444 N NZ . LYS A 1 57 ? 1.319 8.235 -11.276 1.00 67.73 57 A 1 ATOM 445 N N . VAL A 1 58 ? -2.421 8.832 -4.499 1.00 96.57 58 A 1 ATOM 446 C CA . VAL A 1 58 ? -3.619 8.682 -3.663 1.00 96.06 58 A 1 ATOM 447 C C . VAL A 1 58 ? -3.482 9.494 -2.379 1.00 95.30 58 A 1 ATOM 448 O O . VAL A 1 58 ? -4.409 10.213 -2.018 1.00 94.13 58 A 1 ATOM 449 C CB . VAL A 1 58 ? -3.892 7.199 -3.350 1.00 95.88 58 A 1 ATOM 450 C CG1 . VAL A 1 58 ? -5.022 7.017 -2.332 1.00 94.55 58 A 1 ATOM 451 C CG2 . VAL A 1 58 ? -4.298 6.447 -4.621 1.00 94.96 58 A 1 ATOM 452 N N . ARG A 1 59 ? -2.330 9.446 -1.721 1.00 95.28 59 A 1 ATOM 453 C CA . ARG A 1 59 ? -2.081 10.257 -0.522 1.00 94.23 59 A 1 ATOM 454 C C . ARG A 1 59 ? -2.265 11.746 -0.803 1.00 93.41 59 A 1 ATOM 455 O O . ARG A 1 59 ? -3.013 12.403 -0.085 1.00 92.17 59 A 1 ATOM 456 C CB . ARG A 1 59 ? -0.690 9.943 0.042 1.00 93.35 59 A 1 ATOM 457 C CG . ARG A 1 59 ? -0.461 10.635 1.396 1.00 90.67 59 A 1 ATOM 458 C CD . ARG A 1 59 ? 0.901 10.254 1.974 1.00 88.77 59 A 1 ATOM 459 N NE . ARG A 1 59 ? 1.107 10.829 3.322 1.00 84.59 59 A 1 ATOM 460 C CZ . ARG A 1 59 ? 1.748 10.246 4.325 1.00 83.17 59 A 1 ATOM 461 N NH1 . ARG A 1 59 ? 2.326 9.095 4.209 1.00 76.26 59 A 1 ATOM 462 N NH2 . ARG A 1 59 ? 1.820 10.798 5.491 1.00 76.07 59 A 1 ATOM 463 N N . ARG A 1 60 ? -1.640 12.267 -1.864 1.00 92.76 60 A 1 ATOM 464 C CA . ARG A 1 60 ? -1.773 13.678 -2.261 1.00 91.95 60 A 1 ATOM 465 C C . ARG A 1 60 ? -3.216 14.048 -2.592 1.00 90.79 60 A 1 ATOM 466 O O . ARG A 1 60 ? -3.725 15.034 -2.073 1.00 89.12 60 A 1 ATOM 467 C CB . ARG A 1 60 ? -0.837 13.985 -3.435 1.00 91.70 60 A 1 ATOM 468 C CG . ARG A 1 60 ? 0.609 14.127 -2.955 1.00 84.40 60 A 1 ATOM 469 C CD . ARG A 1 60 ? 1.556 14.459 -4.107 1.00 82.43 60 A 1 ATOM 470 N NE . ARG A 1 60 ? 1.784 13.294 -4.981 1.00 74.68 60 A 1 ATOM 471 C CZ . ARG A 1 60 ? 2.399 13.306 -6.147 1.00 68.27 60 A 1 ATOM 472 N NH1 . ARG A 1 60 ? 2.818 14.413 -6.688 1.00 61.51 60 A 1 ATOM 473 N NH2 . ARG A 1 60 ? 2.610 12.192 -6.796 1.00 58.83 60 A 1 ATOM 474 N N . GLU A 1 61 ? -3.884 13.242 -3.395 1.00 93.10 61 A 1 ATOM 475 C CA . GLU A 1 61 ? -5.266 13.515 -3.801 1.00 92.50 61 A 1 ATOM 476 C C . GLU A 1 61 ? -6.259 13.447 -2.631 1.00 91.16 61 A 1 ATOM 477 O O . GLU A 1 61 ? -7.198 14.235 -2.574 1.00 88.43 61 A 1 ATOM 478 C CB . GLU A 1 61 ? -5.683 12.532 -4.899 1.00 92.83 61 A 1 ATOM 479 C CG . GLU A 1 61 ? -4.975 12.825 -6.231 1.00 88.98 61 A 1 ATOM 480 C CD . GLU A 1 61 ? -5.362 11.833 -7.339 1.00 85.44 61 A 1 ATOM 481 O OE1 . GLU A 1 61 ? -5.323 12.254 -8.516 1.00 80.16 61 A 1 ATOM 482 O OE2 . GLU A 1 61 ? -5.669 10.661 -7.022 1.00 81.59 61 A 1 ATOM 483 N N . GLN A 1 62 ? -6.052 12.530 -1.695 1.00 91.82 62 A 1 ATOM 484 C CA . GLN A 1 62 ? -6.970 12.337 -0.569 1.00 88.66 62 A 1 ATOM 485 C C . GLN A 1 62 ? -6.723 13.310 0.591 1.00 86.53 62 A 1 ATOM 486 O O . GLN A 1 62 ? -7.657 13.607 1.333 1.00 82.49 62 A 1 ATOM 487 C CB . GLN A 1 62 ? -6.877 10.886 -0.075 1.00 87.26 62 A 1 ATOM 488 C CG . GLN A 1 62 ? -7.382 9.855 -1.100 1.00 82.46 62 A 1 ATOM 489 C CD . GLN A 1 62 ? -8.900 9.841 -1.256 1.00 76.67 62 A 1 ATOM 490 O OE1 . GLN A 1 62 ? -9.660 9.744 -0.307 1.00 71.30 62 A 1 ATOM 491 N NE2 . GLN A 1 62 ? -9.400 9.891 -2.470 1.00 67.09 62 A 1 ATOM 492 N N . PHE A 1 63 ? -5.476 13.775 0.762 1.00 82.57 63 A 1 ATOM 493 C CA . PHE A 1 63 ? -5.084 14.537 1.952 1.00 77.69 63 A 1 ATOM 494 C C . PHE A 1 63 ? -4.557 15.948 1.654 1.00 77.23 63 A 1 ATOM 495 O O . PHE A 1 63 ? -4.542 16.769 2.568 1.00 71.51 63 A 1 ATOM 496 C CB . PHE A 1 63 ? -4.090 13.706 2.777 1.00 75.44 63 A 1 ATOM 497 C CG . PHE A 1 63 ? -4.683 12.416 3.329 1.00 72.67 63 A 1 ATOM 498 C CD1 . PHE A 1 63 ? -5.397 12.432 4.539 1.00 69.53 63 A 1 ATOM 499 C CD2 . PHE A 1 63 ? -4.560 11.210 2.615 1.00 69.60 63 A 1 ATOM 500 C CE1 . PHE A 1 63 ? -5.985 11.257 5.028 1.00 66.85 63 A 1 ATOM 501 C CE2 . PHE A 1 63 ? -5.155 10.031 3.101 1.00 67.45 63 A 1 ATOM 502 C CZ . PHE A 1 63 ? -5.868 10.056 4.307 1.00 66.46 63 A 1 ATOM 503 N N . GLU A 1 64 ? -4.174 16.264 0.408 1.00 78.04 64 A 1 ATOM 504 C CA . GLU A 1 64 ? -3.707 17.610 0.019 1.00 76.51 64 A 1 ATOM 505 C C . GLU A 1 64 ? -4.707 18.357 -0.894 1.00 76.19 64 A 1 ATOM 506 O O . GLU A 1 64 ? -4.505 19.535 -1.184 1.00 70.23 64 A 1 ATOM 507 C CB . GLU A 1 64 ? -2.305 17.561 -0.610 1.00 71.23 64 A 1 ATOM 508 C CG . GLU A 1 64 ? -1.216 17.037 0.335 1.00 64.57 64 A 1 ATOM 509 C CD . GLU A 1 64 ? 0.164 17.052 -0.339 1.00 61.73 64 A 1 ATOM 510 O OE1 . GLU A 1 64 ? 0.800 18.121 -0.397 1.00 58.73 64 A 1 ATOM 511 O OE2 . GLU A 1 64 ? 0.606 15.977 -0.821 1.00 59.60 64 A 1 ATOM 512 N N . SER A 1 65 ? -5.795 17.728 -1.332 1.00 74.97 65 A 1 ATOM 513 C CA . SER A 1 65 ? -6.806 18.375 -2.200 1.00 74.85 65 A 1 ATOM 514 C C . SER A 1 65 ? -7.897 19.140 -1.441 1.00 73.42 65 A 1 ATOM 515 O O . SER A 1 65 ? -8.913 19.503 -2.036 1.00 66.68 65 A 1 ATOM 516 C CB . SER A 1 65 ? -7.432 17.391 -3.193 1.00 71.06 65 A 1 ATOM 517 O OG . SER A 1 65 ? -6.445 16.812 -4.010 1.00 64.14 65 A 1 ATOM 518 N N . ASP A 1 66 ? -7.711 19.411 -0.161 1.00 67.59 66 A 1 ATOM 519 C CA . ASP A 1 66 ? -8.617 20.284 0.590 1.00 66.39 66 A 1 ATOM 520 C C . ASP A 1 66 ? -8.042 21.706 0.670 1.00 65.29 66 A 1 ATOM 521 O O . ASP A 1 66 ? -7.701 22.207 1.730 1.00 61.41 66 A 1 ATOM 522 C CB . ASP A 1 66 ? -8.997 19.670 1.950 1.00 61.98 66 A 1 ATOM 523 C CG . ASP A 1 66 ? -10.369 20.166 2.428 1.00 55.01 66 A 1 ATOM 524 O OD1 . ASP A 1 66 ? -10.419 21.106 3.247 1.00 51.94 66 A 1 ATOM 525 O OD2 . ASP A 1 66 ? -11.382 19.570 1.983 1.00 49.95 66 A 1 ATOM 526 N N . GLU A 1 67 ? -7.891 22.343 -0.498 1.00 57.54 67 A 1 ATOM 527 C CA . GLU A 1 67 ? -7.933 23.810 -0.626 1.00 58.19 67 A 1 ATOM 528 C C . GLU A 1 67 ? -8.075 24.205 -2.108 1.00 56.69 67 A 1 ATOM 529 O O . GLU A 1 67 ? -7.104 24.409 -2.836 1.00 52.77 67 A 1 ATOM 530 C CB . GLU A 1 67 ? -6.753 24.549 0.064 1.00 55.26 67 A 1 ATOM 531 C CG . GLU A 1 67 ? -7.215 25.219 1.374 1.00 47.95 67 A 1 ATOM 532 C CD . GLU A 1 67 ? -6.185 26.179 1.981 1.00 44.60 67 A 1 ATOM 533 O OE1 . GLU A 1 67 ? -6.438 27.410 1.949 1.00 42.74 67 A 1 ATOM 534 O OE2 . GLU A 1 67 ? -5.161 25.701 2.519 1.00 42.81 67 A 1 ATOM 535 N N . ALA A 1 68 ? -9.310 24.320 -2.569 1.00 54.92 68 A 1 ATOM 536 C CA . ALA A 1 68 ? -9.714 25.155 -3.699 1.00 55.60 68 A 1 ATOM 537 C C . ALA A 1 68 ? -11.124 25.694 -3.457 1.00 53.67 68 A 1 ATOM 538 O O . ALA A 1 68 ? -12.027 24.892 -3.155 1.00 49.16 68 A 1 ATOM 539 C CB . ALA A 1 68 ? -9.602 24.382 -5.012 1.00 50.17 68 A 1 ATOM 540 O OXT . ALA A 1 68 ? -11.297 26.931 -3.582 1.00 43.31 68 A 1 #