# 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_aca9 # _entry.id aca9 # 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" "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 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 LYS 2 1 n ASN 3 1 n THR 4 1 n ARG 5 1 n LEU 6 1 n VAL 7 1 n ASP 8 1 n ALA 9 1 n GLN 10 1 n SER 11 1 n LYS 12 1 n LEU 13 1 n GLY 14 1 n PHE 15 1 n SER 16 1 n LYS 17 1 n ALA 18 1 n GLU 19 1 n MET 20 1 n ALA 21 1 n ARG 22 1 n ALA 23 1 n LEU 24 1 n SER 25 1 n VAL 26 1 n HIS 27 1 n TYR 28 1 n ASN 29 1 n THR 30 1 n TYR 31 1 n ASP 32 1 n LYS 33 1 n TRP 34 1 n GLU 35 1 n ARG 36 1 n GLY 37 1 n GLU 38 1 n GLN 39 1 n LYS 40 1 n PRO 41 1 n GLN 42 1 n ALA 43 1 n ALA 44 1 n VAL 45 1 n TYR 46 1 n THR 47 1 n ALA 48 1 n VAL 49 1 n ASP 50 1 n MET 51 1 n LEU 52 1 n LEU 53 1 n PHE 54 1 n MET 55 1 n HIS 56 1 n ALA 57 1 n LYS 58 1 n GLY 59 1 n ILE 60 1 n LEU 61 1 n THR 62 1 n GLU 63 1 n TRP 64 1 n MET 65 1 n SER 66 1 n ARG 67 1 n SER 68 1 n GLU 69 # _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 19:33:10)" _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 93.19 _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 81.98 1 1 A LYS 2 2 85.50 1 2 A ASN 3 2 94.81 1 3 A THR 4 2 94.03 1 4 A ARG 5 2 87.53 1 5 A LEU 6 2 97.78 1 6 A VAL 7 2 97.17 1 7 A ASP 8 2 94.66 1 8 A ALA 9 2 98.54 1 9 A GLN 10 2 95.24 1 10 A SER 11 2 95.98 1 11 A LYS 12 2 94.51 1 12 A LEU 13 2 98.05 1 13 A GLY 14 2 97.36 1 14 A PHE 15 2 97.04 1 15 A SER 16 2 97.70 1 16 A LYS 17 2 94.29 1 17 A ALA 18 2 97.49 1 18 A GLU 19 2 93.38 1 19 A MET 20 2 96.50 1 20 A ALA 21 2 97.76 1 21 A ARG 22 2 80.98 1 22 A ALA 23 2 96.70 1 23 A LEU 24 2 97.30 1 24 A SER 25 2 94.50 1 25 A VAL 26 2 97.64 1 26 A HIS 27 2 94.70 1 27 A TYR 28 2 96.48 1 28 A ASN 29 2 94.25 1 29 A THR 30 2 98.36 1 30 A TYR 31 2 98.35 1 31 A ASP 32 2 95.86 1 32 A LYS 33 2 95.82 1 33 A TRP 34 2 98.06 1 34 A GLU 35 2 93.33 1 35 A ARG 36 2 90.97 1 36 A GLY 37 2 96.99 1 37 A GLU 38 2 94.23 1 38 A GLN 39 2 92.61 1 39 A LYS 40 2 88.44 1 40 A PRO 41 2 97.34 1 41 A GLN 42 2 88.16 1 42 A ALA 43 2 97.86 1 43 A ALA 44 2 98.03 1 44 A VAL 45 2 98.23 1 45 A TYR 46 2 96.79 1 46 A THR 47 2 97.59 1 47 A ALA 48 2 98.38 1 48 A VAL 49 2 98.41 1 49 A ASP 50 2 96.00 1 50 A MET 51 2 92.03 1 51 A LEU 52 2 98.09 1 52 A LEU 53 2 98.46 1 53 A PHE 54 2 97.51 1 54 A MET 55 2 95.56 1 55 A HIS 56 2 95.93 1 56 A ALA 57 2 98.31 1 57 A LYS 58 2 93.91 1 58 A GLY 59 2 97.78 1 59 A ILE 60 2 96.62 1 60 A LEU 61 2 95.95 1 61 A THR 62 2 91.95 1 62 A GLU 63 2 88.28 1 63 A TRP 64 2 86.77 1 64 A MET 65 2 88.09 1 65 A SER 66 2 88.94 1 66 A ARG 67 2 75.42 1 67 A SER 68 2 71.14 1 68 A GLU 69 2 64.01 1 69 # _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 ASN . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ASP . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n GLN . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LYS . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n MET . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n ARG . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n HIS . 27 A 27 A 28 1 n TYR . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n THR . 30 A 30 A 31 1 n TYR . 31 A 31 A 32 1 n ASP . 32 A 32 A 33 1 n LYS . 33 A 33 A 34 1 n TRP . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n ARG . 36 A 36 A 37 1 n GLY . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n GLN . 39 A 39 A 40 1 n LYS . 40 A 40 A 41 1 n PRO . 41 A 41 A 42 1 n GLN . 42 A 42 A 43 1 n ALA . 43 A 43 A 44 1 n ALA . 44 A 44 A 45 1 n VAL . 45 A 45 A 46 1 n TYR . 46 A 46 A 47 1 n THR . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n VAL . 49 A 49 A 50 1 n ASP . 50 A 50 A 51 1 n MET . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n LEU . 53 A 53 A 54 1 n PHE . 54 A 54 A 55 1 n MET . 55 A 55 A 56 1 n HIS . 56 A 56 A 57 1 n ALA . 57 A 57 A 58 1 n LYS . 58 A 58 A 59 1 n GLY . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n THR . 62 A 62 A 63 1 n GLU . 63 A 63 A 64 1 n TRP . 64 A 64 A 65 1 n MET . 65 A 65 A 66 1 n SER . 66 A 66 A 67 1 n ARG . 67 A 67 A 68 1 n SER . 68 A 68 A 69 1 n GLU . 69 A 69 # _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 ? 11.906 13.511 -8.067 1.00 86.97 1 A 1 ATOM 2 C CA . MET A 1 1 ? 11.339 12.626 -9.117 1.00 91.86 1 A 1 ATOM 3 C C . MET A 1 1 ? 10.365 11.677 -8.439 1.00 93.80 1 A 1 ATOM 4 O O . MET A 1 1 ? 10.785 11.009 -7.499 1.00 90.99 1 A 1 ATOM 5 C CB . MET A 1 1 ? 12.469 11.870 -9.834 1.00 85.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? 11.999 11.190 -11.129 1.00 75.24 1 A 1 ATOM 7 S SD . MET A 1 1 ? 13.364 10.576 -12.158 1.00 69.46 1 A 1 ATOM 8 C CE . MET A 1 1 ? 13.830 9.065 -11.268 1.00 61.99 1 A 1 ATOM 9 N N . LYS A 1 2 ? 9.081 11.649 -8.841 1.00 93.19 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 8.047 10.831 -8.175 1.00 93.57 2 A 1 ATOM 11 C C . LYS A 1 2 ? 8.393 9.340 -8.232 1.00 94.89 2 A 1 ATOM 12 O O . LYS A 1 2 ? 8.973 8.875 -9.213 1.00 93.62 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 6.662 11.067 -8.794 1.00 90.11 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 6.071 12.447 -8.468 1.00 82.32 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 4.626 12.538 -8.982 1.00 80.57 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 3.980 13.871 -8.599 1.00 74.74 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 2.549 13.917 -9.005 1.00 66.53 2 A 1 ATOM 18 N N . ASN A 1 3 ? 7.990 8.590 -7.205 1.00 95.11 3 A 1 ATOM 19 C CA . ASN A 1 3 ? 8.121 7.137 -7.168 1.00 96.32 3 A 1 ATOM 20 C C . ASN A 1 3 ? 6.984 6.503 -7.985 1.00 96.83 3 A 1 ATOM 21 O O . ASN A 1 3 ? 5.891 6.279 -7.469 1.00 96.51 3 A 1 ATOM 22 C CB . ASN A 1 3 ? 8.151 6.680 -5.703 1.00 95.58 3 A 1 ATOM 23 C CG . ASN A 1 3 ? 8.487 5.207 -5.559 1.00 95.07 3 A 1 ATOM 24 O OD1 . ASN A 1 3 ? 8.234 4.378 -6.417 1.00 91.97 3 A 1 ATOM 25 N ND2 . ASN A 1 3 ? 9.090 4.844 -4.453 1.00 91.06 3 A 1 ATOM 26 N N . THR A 1 4 ? 7.246 6.225 -9.263 1.00 96.58 4 A 1 ATOM 27 C CA . THR A 1 4 ? 6.251 5.695 -10.206 1.00 96.59 4 A 1 ATOM 28 C C . THR A 1 4 ? 5.647 4.378 -9.735 1.00 97.14 4 A 1 ATOM 29 O O . THR A 1 4 ? 4.440 4.196 -9.841 1.00 96.70 4 A 1 ATOM 30 C CB . THR A 1 4 ? 6.859 5.501 -11.601 1.00 95.47 4 A 1 ATOM 31 O OG1 . THR A 1 4 ? 8.047 4.746 -11.516 1.00 89.20 4 A 1 ATOM 32 C CG2 . THR A 1 4 ? 7.226 6.841 -12.241 1.00 86.56 4 A 1 ATOM 33 N N . ARG A 1 5 ? 6.436 3.499 -9.108 1.00 97.28 5 A 1 ATOM 34 C CA . ARG A 1 5 ? 5.942 2.209 -8.604 1.00 97.35 5 A 1 ATOM 35 C C . ARG A 1 5 ? 4.859 2.371 -7.534 1.00 97.98 5 A 1 ATOM 36 O O . ARG A 1 5 ? 3.884 1.628 -7.551 1.00 97.67 5 A 1 ATOM 37 C CB . ARG A 1 5 ? 7.121 1.365 -8.098 1.00 96.40 5 A 1 ATOM 38 C CG . ARG A 1 5 ? 6.687 -0.059 -7.708 1.00 87.47 5 A 1 ATOM 39 C CD . ARG A 1 5 ? 7.896 -0.904 -7.315 1.00 86.74 5 A 1 ATOM 40 N NE . ARG A 1 5 ? 7.514 -2.280 -6.925 1.00 81.83 5 A 1 ATOM 41 C CZ . ARG A 1 5 ? 8.340 -3.265 -6.609 1.00 77.24 5 A 1 ATOM 42 N NH1 . ARG A 1 5 ? 9.631 -3.112 -6.612 1.00 73.55 5 A 1 ATOM 43 N NH2 . ARG A 1 5 ? 7.890 -4.440 -6.275 1.00 69.32 5 A 1 ATOM 44 N N . LEU A 1 6 ? 5.004 3.333 -6.618 1.00 98.12 6 A 1 ATOM 45 C CA . LEU A 1 6 ? 3.984 3.611 -5.603 1.00 98.29 6 A 1 ATOM 46 C C . LEU A 1 6 ? 2.738 4.258 -6.212 1.00 98.39 6 A 1 ATOM 47 O O . LEU A 1 6 ? 1.631 3.859 -5.870 1.00 98.32 6 A 1 ATOM 48 C CB . LEU A 1 6 ? 4.557 4.492 -4.479 1.00 98.23 6 A 1 ATOM 49 C CG . LEU A 1 6 ? 5.607 3.815 -3.584 1.00 97.49 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? 6.002 4.779 -2.462 1.00 96.80 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? 5.101 2.530 -2.928 1.00 96.64 6 A 1 ATOM 52 N N . VAL A 1 7 ? 2.912 5.203 -7.137 1.00 97.84 7 A 1 ATOM 53 C CA . VAL A 1 7 ? 1.801 5.876 -7.835 1.00 97.71 7 A 1 ATOM 54 C C . VAL A 1 7 ? 0.972 4.877 -8.651 1.00 98.01 7 A 1 ATOM 55 O O . VAL A 1 7 ? -0.258 4.879 -8.583 1.00 98.06 7 A 1 ATOM 56 C CB . VAL A 1 7 ? 2.342 7.005 -8.738 1.00 97.23 7 A 1 ATOM 57 C CG1 . VAL A 1 7 ? 1.248 7.659 -9.588 1.00 95.54 7 A 1 ATOM 58 C CG2 . VAL A 1 7 ? 2.989 8.114 -7.899 1.00 95.79 7 A 1 ATOM 59 N N . ASP A 1 8 ? 1.634 3.978 -9.380 1.00 98.08 8 A 1 ATOM 60 C CA . ASP A 1 8 ? 0.971 2.951 -10.186 1.00 98.09 8 A 1 ATOM 61 C C . ASP A 1 8 ? 0.212 1.952 -9.307 1.00 98.31 8 A 1 ATOM 62 O O . ASP A 1 8 ? -0.923 1.580 -9.614 1.00 98.22 8 A 1 ATOM 63 C CB . ASP A 1 8 ? 2.008 2.196 -11.034 1.00 97.58 8 A 1 ATOM 64 C CG . ASP A 1 8 ? 2.657 3.029 -12.144 1.00 91.39 8 A 1 ATOM 65 O OD1 . ASP A 1 8 ? 2.118 4.106 -12.485 1.00 88.30 8 A 1 ATOM 66 O OD2 . ASP A 1 8 ? 3.692 2.549 -12.661 1.00 87.30 8 A 1 ATOM 67 N N . ALA A 1 9 ? 0.812 1.527 -8.187 1.00 98.51 9 A 1 ATOM 68 C CA . ALA A 1 9 ? 0.161 0.631 -7.238 1.00 98.55 9 A 1 ATOM 69 C C . ALA A 1 9 ? -1.067 1.284 -6.592 1.00 98.62 9 A 1 ATOM 70 O O . ALA A 1 9 ? -2.132 0.670 -6.566 1.00 98.54 9 A 1 ATOM 71 C CB . ALA A 1 9 ? 1.179 0.189 -6.190 1.00 98.46 9 A 1 ATOM 72 N N . GLN A 1 10 ? -0.955 2.538 -6.151 1.00 98.47 10 A 1 ATOM 73 C CA . GLN A 1 10 ? -2.064 3.306 -5.592 1.00 98.39 10 A 1 ATOM 74 C C . GLN A 1 10 ? -3.233 3.404 -6.581 1.00 98.42 10 A 1 ATOM 75 O O . GLN A 1 10 ? -4.383 3.166 -6.210 1.00 98.26 10 A 1 ATOM 76 C CB . GLN A 1 10 ? -1.540 4.698 -5.199 1.00 98.08 10 A 1 ATOM 77 C CG . GLN A 1 10 ? -2.613 5.532 -4.495 1.00 95.08 10 A 1 ATOM 78 C CD . GLN A 1 10 ? -2.152 6.938 -4.150 1.00 95.05 10 A 1 ATOM 79 O OE1 . GLN A 1 10 ? -1.024 7.200 -3.773 1.00 88.37 10 A 1 ATOM 80 N NE2 . GLN A 1 10 ? -3.023 7.913 -4.256 1.00 87.02 10 A 1 ATOM 81 N N . SER A 1 11 ? -2.928 3.688 -7.853 1.00 98.34 11 A 1 ATOM 82 C CA . SER A 1 11 ? -3.937 3.793 -8.912 1.00 98.26 11 A 1 ATOM 83 C C . SER A 1 11 ? -4.629 2.451 -9.180 1.00 98.37 11 A 1 ATOM 84 O O . SER A 1 11 ? -5.846 2.401 -9.317 1.00 98.06 11 A 1 ATOM 85 C CB . SER A 1 11 ? -3.299 4.305 -10.207 1.00 97.81 11 A 1 ATOM 86 O OG . SER A 1 11 ? -2.676 5.559 -10.002 1.00 85.04 11 A 1 ATOM 87 N N . LYS A 1 12 ? -3.877 1.343 -9.205 1.00 98.32 12 A 1 ATOM 88 C CA . LYS A 1 12 ? -4.425 -0.013 -9.399 1.00 98.27 12 A 1 ATOM 89 C C . LYS A 1 12 ? -5.311 -0.467 -8.242 1.00 98.30 12 A 1 ATOM 90 O O . LYS A 1 12 ? -6.284 -1.175 -8.469 1.00 98.03 12 A 1 ATOM 91 C CB . LYS A 1 12 ? -3.281 -1.014 -9.576 1.00 98.16 12 A 1 ATOM 92 C CG . LYS A 1 12 ? -2.637 -0.915 -10.964 1.00 95.94 12 A 1 ATOM 93 C CD . LYS A 1 12 ? -1.416 -1.837 -11.027 1.00 93.63 12 A 1 ATOM 94 C CE . LYS A 1 12 ? -0.752 -1.705 -12.397 1.00 89.63 12 A 1 ATOM 95 N NZ . LYS A 1 12 ? 0.452 -2.565 -12.499 1.00 80.31 12 A 1 ATOM 96 N N . LEU A 1 13 ? -4.959 -0.088 -7.019 1.00 98.44 13 A 1 ATOM 97 C CA . LEU A 1 13 ? -5.737 -0.397 -5.819 1.00 98.31 13 A 1 ATOM 98 C C . LEU A 1 13 ? -6.963 0.515 -5.659 1.00 98.07 13 A 1 ATOM 99 O O . LEU A 1 13 ? -7.837 0.203 -4.861 1.00 97.63 13 A 1 ATOM 100 C CB . LEU A 1 13 ? -4.809 -0.312 -4.592 1.00 98.36 13 A 1 ATOM 101 C CG . LEU A 1 13 ? -3.699 -1.380 -4.560 1.00 98.09 13 A 1 ATOM 102 C CD1 . LEU A 1 13 ? -2.714 -1.074 -3.435 1.00 97.73 13 A 1 ATOM 103 C CD2 . LEU A 1 13 ? -4.251 -2.785 -4.344 1.00 97.77 13 A 1 ATOM 104 N N . GLY A 1 14 ? -7.031 1.631 -6.389 1.00 97.88 14 A 1 ATOM 105 C CA . GLY A 1 14 ? -8.070 2.651 -6.222 1.00 97.45 14 A 1 ATOM 106 C C . GLY A 1 14 ? -7.964 3.414 -4.899 1.00 97.45 14 A 1 ATOM 107 O O . GLY A 1 14 ? -8.954 3.978 -4.447 1.00 96.65 14 A 1 ATOM 108 N N . PHE A 1 15 ? -6.791 3.398 -4.261 1.00 97.81 15 A 1 ATOM 109 C CA . PHE A 1 15 ? -6.585 3.967 -2.934 1.00 97.91 15 A 1 ATOM 110 C C . PHE A 1 15 ? -6.186 5.444 -2.999 1.00 98.06 15 A 1 ATOM 111 O O . PHE A 1 15 ? -5.383 5.876 -3.825 1.00 97.85 15 A 1 ATOM 112 C CB . PHE A 1 15 ? -5.538 3.148 -2.172 1.00 97.64 15 A 1 ATOM 113 C CG . PHE A 1 15 ? -5.994 1.816 -1.589 1.00 97.49 15 A 1 ATOM 114 C CD1 . PHE A 1 15 ? -7.317 1.349 -1.710 1.00 96.50 15 A 1 ATOM 115 C CD2 . PHE A 1 15 ? -5.063 1.050 -0.857 1.00 96.34 15 A 1 ATOM 116 C CE1 . PHE A 1 15 ? -7.710 0.144 -1.103 1.00 95.84 15 A 1 ATOM 117 C CE2 . PHE A 1 15 ? -5.457 -0.152 -0.246 1.00 95.88 15 A 1 ATOM 118 C CZ . PHE A 1 15 ? -6.780 -0.602 -0.366 1.00 96.14 15 A 1 ATOM 119 N N . SER A 1 16 ? -6.694 6.220 -2.043 1.00 97.94 16 A 1 ATOM 120 C CA . SER A 1 16 ? -6.140 7.521 -1.683 1.00 97.90 16 A 1 ATOM 121 C C . SER A 1 16 ? -4.770 7.377 -1.004 1.00 98.10 16 A 1 ATOM 122 O O . SER A 1 16 ? -4.379 6.310 -0.526 1.00 98.07 16 A 1 ATOM 123 C CB . SER A 1 16 ? -7.122 8.266 -0.772 1.00 97.66 16 A 1 ATOM 124 O OG . SER A 1 16 ? -7.215 7.623 0.475 1.00 96.56 16 A 1 ATOM 125 N N . LYS A 1 17 ? -4.026 8.477 -0.888 1.00 97.97 17 A 1 ATOM 126 C CA . LYS A 1 17 ? -2.758 8.486 -0.130 1.00 98.02 17 A 1 ATOM 127 C C . LYS A 1 17 ? -2.939 8.060 1.328 1.00 98.12 17 A 1 ATOM 128 O O . LYS A 1 17 ? -2.071 7.402 1.889 1.00 97.97 17 A 1 ATOM 129 C CB . LYS A 1 17 ? -2.114 9.876 -0.150 1.00 97.63 17 A 1 ATOM 130 C CG . LYS A 1 17 ? -1.715 10.333 -1.551 1.00 95.29 17 A 1 ATOM 131 C CD . LYS A 1 17 ? -0.869 11.600 -1.449 1.00 93.76 17 A 1 ATOM 132 C CE . LYS A 1 17 ? -0.600 12.158 -2.841 1.00 88.03 17 A 1 ATOM 133 N NZ . LYS A 1 17 ? 0.662 12.935 -2.853 1.00 81.82 17 A 1 ATOM 134 N N . ALA A 1 18 ? -4.065 8.458 1.940 1.00 97.86 18 A 1 ATOM 135 C CA . ALA A 1 18 ? -4.373 8.105 3.322 1.00 97.63 18 A 1 ATOM 136 C C . ALA A 1 18 ? -4.613 6.595 3.478 1.00 97.40 18 A 1 ATOM 137 O O . ALA A 1 18 ? -4.098 5.991 4.416 1.00 97.07 18 A 1 ATOM 138 C CB . ALA A 1 18 ? -5.586 8.927 3.775 1.00 97.47 18 A 1 ATOM 139 N N . GLU A 1 19 ? -5.332 5.982 2.531 1.00 96.73 19 A 1 ATOM 140 C CA . GLU A 1 19 ? -5.565 4.533 2.517 1.00 96.35 19 A 1 ATOM 141 C C . GLU A 1 19 ? -4.275 3.751 2.265 1.00 96.54 19 A 1 ATOM 142 O O . GLU A 1 19 ? -4.013 2.780 2.973 1.00 96.44 19 A 1 ATOM 143 C CB . GLU A 1 19 ? -6.614 4.196 1.455 1.00 95.90 19 A 1 ATOM 144 C CG . GLU A 1 19 ? -8.007 4.667 1.891 1.00 93.90 19 A 1 ATOM 145 C CD . GLU A 1 19 ? -8.975 4.761 0.712 1.00 92.10 19 A 1 ATOM 146 O OE1 . GLU A 1 19 ? -10.115 4.290 0.846 1.00 86.31 19 A 1 ATOM 147 O OE2 . GLU A 1 19 ? -8.565 5.403 -0.282 1.00 86.15 19 A 1 ATOM 148 N N . MET A 1 20 ? -3.413 4.216 1.355 1.00 97.70 20 A 1 ATOM 149 C CA . MET A 1 20 ? -2.092 3.604 1.157 1.00 98.00 20 A 1 ATOM 150 C C . MET A 1 20 ? -1.220 3.698 2.411 1.00 97.94 20 A 1 ATOM 151 O O . MET A 1 20 ? -0.574 2.722 2.787 1.00 97.75 20 A 1 ATOM 152 C CB . MET A 1 20 ? -1.363 4.278 -0.015 1.00 98.09 20 A 1 ATOM 153 C CG . MET A 1 20 ? -1.902 3.837 -1.374 1.00 96.38 20 A 1 ATOM 154 S SD . MET A 1 20 ? -1.666 2.082 -1.796 1.00 94.88 20 A 1 ATOM 155 C CE . MET A 1 20 ? 0.134 1.972 -1.922 1.00 91.22 20 A 1 ATOM 156 N N . ALA A 1 21 ? -1.209 4.855 3.081 1.00 97.95 21 A 1 ATOM 157 C CA . ALA A 1 21 ? -0.467 5.019 4.328 1.00 97.92 21 A 1 ATOM 158 C C . ALA A 1 21 ? -0.983 4.071 5.425 1.00 97.51 21 A 1 ATOM 159 O O . ALA A 1 21 ? -0.179 3.420 6.094 1.00 97.32 21 A 1 ATOM 160 C CB . ALA A 1 21 ? -0.545 6.490 4.757 1.00 98.11 21 A 1 ATOM 161 N N . ARG A 1 22 ? -2.304 3.930 5.552 1.00 96.38 22 A 1 ATOM 162 C CA . ARG A 1 22 ? -2.942 2.990 6.485 1.00 95.64 22 A 1 ATOM 163 C C . ARG A 1 22 ? -2.606 1.536 6.146 1.00 95.65 22 A 1 ATOM 164 O O . ARG A 1 22 ? -2.172 0.801 7.022 1.00 95.18 22 A 1 ATOM 165 C CB . ARG A 1 22 ? -4.458 3.234 6.488 1.00 94.60 22 A 1 ATOM 166 C CG . ARG A 1 22 ? -5.171 2.408 7.577 1.00 84.39 22 A 1 ATOM 167 C CD . ARG A 1 22 ? -6.696 2.540 7.488 1.00 82.41 22 A 1 ATOM 168 N NE . ARG A 1 22 ? -7.151 3.935 7.695 1.00 71.78 22 A 1 ATOM 169 C CZ . ARG A 1 22 ? -8.350 4.399 7.407 1.00 64.44 22 A 1 ATOM 170 N NH1 . ARG A 1 22 ? -9.279 3.656 6.867 1.00 57.28 22 A 1 ATOM 171 N NH2 . ARG A 1 22 ? -8.651 5.636 7.671 1.00 53.00 22 A 1 ATOM 172 N N . ALA A 1 23 ? -2.756 1.148 4.878 1.00 96.90 23 A 1 ATOM 173 C CA . ALA A 1 23 ? -2.469 -0.212 4.414 1.00 96.77 23 A 1 ATOM 174 C C . ALA A 1 23 ? -1.006 -0.625 4.652 1.00 96.70 23 A 1 ATOM 175 O O . ALA A 1 23 ? -0.718 -1.782 4.951 1.00 96.34 23 A 1 ATOM 176 C CB . ALA A 1 23 ? -2.830 -0.291 2.924 1.00 96.77 23 A 1 ATOM 177 N N . LEU A 1 24 ? -0.086 0.331 4.557 1.00 97.21 24 A 1 ATOM 178 C CA . LEU A 1 24 ? 1.339 0.121 4.827 1.00 97.34 24 A 1 ATOM 179 C C . LEU A 1 24 ? 1.724 0.347 6.301 1.00 97.00 24 A 1 ATOM 180 O O . LEU A 1 24 ? 2.904 0.265 6.630 1.00 96.58 24 A 1 ATOM 181 C CB . LEU A 1 24 ? 2.156 1.008 3.869 1.00 97.73 24 A 1 ATOM 182 C CG . LEU A 1 24 ? 2.012 0.632 2.381 1.00 97.74 24 A 1 ATOM 183 C CD1 . LEU A 1 24 ? 2.722 1.676 1.520 1.00 97.41 24 A 1 ATOM 184 C CD2 . LEU A 1 24 ? 2.625 -0.736 2.071 1.00 97.37 24 A 1 ATOM 185 N N . SER A 1 25 ? 0.755 0.666 7.169 1.00 96.22 25 A 1 ATOM 186 C CA . SER A 1 25 ? 0.962 0.970 8.595 1.00 95.90 25 A 1 ATOM 187 C C . SER A 1 25 ? 2.007 2.067 8.844 1.00 96.44 25 A 1 ATOM 188 O O . SER A 1 25 ? 2.844 1.975 9.743 1.00 95.89 25 A 1 ATOM 189 C CB . SER A 1 25 ? 1.253 -0.309 9.388 1.00 94.64 25 A 1 ATOM 190 O OG . SER A 1 25 ? 0.174 -1.217 9.255 1.00 87.93 25 A 1 ATOM 191 N N . VAL A 1 26 ? 1.977 3.130 8.027 1.00 97.51 26 A 1 ATOM 192 C CA . VAL A 1 26 ? 2.886 4.278 8.151 1.00 97.82 26 A 1 ATOM 193 C C . VAL A 1 26 ? 2.116 5.590 8.292 1.00 97.99 26 A 1 ATOM 194 O O . VAL A 1 26 ? 0.956 5.708 7.903 1.00 97.92 26 A 1 ATOM 195 C CB . VAL A 1 26 ? 3.903 4.369 6.998 1.00 97.88 26 A 1 ATOM 196 C CG1 . VAL A 1 26 ? 4.821 3.143 6.956 1.00 97.38 26 A 1 ATOM 197 C CG2 . VAL A 1 26 ? 3.257 4.579 5.626 1.00 96.96 26 A 1 ATOM 198 N N . HIS A 1 27 ? 2.779 6.607 8.818 1.00 98.27 27 A 1 ATOM 199 C CA . HIS A 1 27 ? 2.197 7.942 8.884 1.00 98.45 27 A 1 ATOM 200 C C . HIS A 1 27 ? 1.992 8.522 7.473 1.00 98.61 27 A 1 ATOM 201 O O . HIS A 1 27 ? 2.843 8.357 6.598 1.00 98.55 27 A 1 ATOM 202 C CB . HIS A 1 27 ? 3.092 8.839 9.750 1.00 98.23 27 A 1 ATOM 203 C CG . HIS A 1 27 ? 2.447 10.162 10.085 1.00 96.48 27 A 1 ATOM 204 N ND1 . HIS A 1 27 ? 2.607 11.348 9.407 1.00 87.86 27 A 1 ATOM 205 C CD2 . HIS A 1 27 ? 1.554 10.393 11.092 1.00 88.92 27 A 1 ATOM 206 C CE1 . HIS A 1 27 ? 1.823 12.273 9.989 1.00 90.16 27 A 1 ATOM 207 N NE2 . HIS A 1 27 ? 1.162 11.735 11.023 1.00 91.43 27 A 1 ATOM 208 N N . TYR A 1 28 ? 0.898 9.278 7.271 1.00 98.45 28 A 1 ATOM 209 C CA . TYR A 1 28 ? 0.573 9.917 5.987 1.00 98.55 28 A 1 ATOM 210 C C . TYR A 1 28 ? 1.763 10.683 5.384 1.00 98.62 28 A 1 ATOM 211 O O . TYR A 1 28 ? 2.131 10.460 4.232 1.00 98.51 28 A 1 ATOM 212 C CB . TYR A 1 28 ? -0.620 10.859 6.189 1.00 98.34 28 A 1 ATOM 213 C CG . TYR A 1 28 ? -0.988 11.643 4.940 1.00 97.44 28 A 1 ATOM 214 C CD1 . TYR A 1 28 ? -0.393 12.900 4.682 1.00 95.78 28 A 1 ATOM 215 C CD2 . TYR A 1 28 ? -1.890 11.096 4.008 1.00 96.11 28 A 1 ATOM 216 C CE1 . TYR A 1 28 ? -0.695 13.597 3.497 1.00 94.23 28 A 1 ATOM 217 C CE2 . TYR A 1 28 ? -2.198 11.792 2.823 1.00 94.75 28 A 1 ATOM 218 C CZ . TYR A 1 28 ? -1.595 13.042 2.566 1.00 94.32 28 A 1 ATOM 219 O OH . TYR A 1 28 ? -1.884 13.712 1.415 1.00 92.63 28 A 1 ATOM 220 N N . ASN A 1 29 ? 2.423 11.525 6.180 1.00 98.66 29 A 1 ATOM 221 C CA . ASN A 1 29 ? 3.578 12.305 5.720 1.00 98.65 29 A 1 ATOM 222 C C . ASN A 1 29 ? 4.762 11.430 5.269 1.00 98.73 29 A 1 ATOM 223 O O . ASN A 1 29 ? 5.545 11.849 4.424 1.00 98.58 29 A 1 ATOM 224 C CB . ASN A 1 29 ? 4.042 13.248 6.847 1.00 98.41 29 A 1 ATOM 225 C CG . ASN A 1 29 ? 3.042 14.346 7.177 1.00 92.86 29 A 1 ATOM 226 O OD1 . ASN A 1 29 ? 2.084 14.595 6.474 1.00 84.46 29 A 1 ATOM 227 N ND2 . ASN A 1 29 ? 3.240 15.043 8.270 1.00 83.62 29 A 1 ATOM 228 N N . THR A 1 30 ? 4.911 10.229 5.835 1.00 98.69 30 A 1 ATOM 229 C CA . THR A 1 30 ? 5.953 9.276 5.425 1.00 98.70 30 A 1 ATOM 230 C C . THR A 1 30 ? 5.649 8.740 4.034 1.00 98.76 30 A 1 ATOM 231 O O . THR A 1 30 ? 6.522 8.770 3.169 1.00 98.70 30 A 1 ATOM 232 C CB . THR A 1 30 ? 6.072 8.122 6.433 1.00 98.53 30 A 1 ATOM 233 O OG1 . THR A 1 30 ? 6.333 8.635 7.721 1.00 97.62 30 A 1 ATOM 234 C CG2 . THR A 1 30 ? 7.205 7.158 6.099 1.00 97.53 30 A 1 ATOM 235 N N . TYR A 1 31 ? 4.401 8.308 3.795 1.00 98.68 31 A 1 ATOM 236 C CA . TYR A 1 31 ? 3.971 7.852 2.475 1.00 98.70 31 A 1 ATOM 237 C C . TYR A 1 31 ? 4.064 8.969 1.423 1.00 98.68 31 A 1 ATOM 238 O O . TYR A 1 31 ? 4.595 8.743 0.341 1.00 98.64 31 A 1 ATOM 239 C CB . TYR A 1 31 ? 2.550 7.287 2.566 1.00 98.65 31 A 1 ATOM 240 C CG . TYR A 1 31 ? 2.070 6.768 1.222 1.00 98.61 31 A 1 ATOM 241 C CD1 . TYR A 1 31 ? 1.299 7.589 0.373 1.00 98.26 31 A 1 ATOM 242 C CD2 . TYR A 1 31 ? 2.479 5.494 0.779 1.00 98.29 31 A 1 ATOM 243 C CE1 . TYR A 1 31 ? 0.944 7.141 -0.912 1.00 98.07 31 A 1 ATOM 244 C CE2 . TYR A 1 31 ? 2.126 5.045 -0.507 1.00 98.06 31 A 1 ATOM 245 C CZ . TYR A 1 31 ? 1.365 5.872 -1.356 1.00 98.11 31 A 1 ATOM 246 O OH . TYR A 1 31 ? 1.048 5.450 -2.610 1.00 97.40 31 A 1 ATOM 247 N N . ASP A 1 32 ? 3.623 10.185 1.753 1.00 98.30 32 A 1 ATOM 248 C CA . ASP A 1 32 ? 3.672 11.336 0.838 1.00 98.16 32 A 1 ATOM 249 C C . ASP A 1 32 ? 5.113 11.672 0.410 1.00 98.17 32 A 1 ATOM 250 O O . ASP A 1 32 ? 5.385 11.873 -0.773 1.00 97.95 32 A 1 ATOM 251 C CB . ASP A 1 32 ? 2.967 12.529 1.498 1.00 97.82 32 A 1 ATOM 252 C CG . ASP A 1 32 ? 2.762 13.696 0.521 1.00 95.37 32 A 1 ATOM 253 O OD1 . ASP A 1 32 ? 2.057 13.539 -0.509 1.00 90.53 32 A 1 ATOM 254 O OD2 . ASP A 1 32 ? 3.286 14.797 0.774 1.00 90.59 32 A 1 ATOM 255 N N . LYS A 1 33 ? 6.077 11.624 1.344 1.00 98.39 33 A 1 ATOM 256 C CA . LYS A 1 33 ? 7.511 11.784 1.022 1.00 98.44 33 A 1 ATOM 257 C C . LYS A 1 33 ? 8.042 10.672 0.118 1.00 98.47 33 A 1 ATOM 258 O O . LYS A 1 33 ? 8.858 10.937 -0.764 1.00 98.35 33 A 1 ATOM 259 C CB . LYS A 1 33 ? 8.337 11.834 2.312 1.00 98.40 33 A 1 ATOM 260 C CG . LYS A 1 33 ? 8.190 13.170 3.040 1.00 97.65 33 A 1 ATOM 261 C CD . LYS A 1 33 ? 8.967 13.132 4.357 1.00 95.90 33 A 1 ATOM 262 C CE . LYS A 1 33 ? 8.793 14.458 5.092 1.00 92.18 33 A 1 ATOM 263 N NZ . LYS A 1 33 ? 9.626 14.508 6.313 1.00 84.58 33 A 1 ATOM 264 N N . TRP A 1 34 ? 7.599 9.431 0.319 1.00 98.43 34 A 1 ATOM 265 C CA . TRP A 1 34 ? 7.976 8.320 -0.553 1.00 98.45 34 A 1 ATOM 266 C C . TRP A 1 34 ? 7.410 8.478 -1.963 1.00 98.36 34 A 1 ATOM 267 O O . TRP A 1 34 ? 8.141 8.294 -2.935 1.00 98.06 34 A 1 ATOM 268 C CB . TRP A 1 34 ? 7.507 6.991 0.046 1.00 98.42 34 A 1 ATOM 269 C CG . TRP A 1 34 ? 8.153 6.552 1.317 1.00 98.43 34 A 1 ATOM 270 C CD1 . TRP A 1 34 ? 9.342 6.979 1.811 1.00 98.05 34 A 1 ATOM 271 C CD2 . TRP A 1 34 ? 7.667 5.550 2.253 1.00 98.33 34 A 1 ATOM 272 N NE1 . TRP A 1 34 ? 9.624 6.311 2.983 1.00 97.78 34 A 1 ATOM 273 C CE2 . TRP A 1 34 ? 8.629 5.409 3.300 1.00 98.07 34 A 1 ATOM 274 C CE3 . TRP A 1 34 ? 6.517 4.731 2.319 1.00 97.98 34 A 1 ATOM 275 C CZ2 . TRP A 1 34 ? 8.465 4.497 4.352 1.00 97.43 34 A 1 ATOM 276 C CZ3 . TRP A 1 34 ? 6.342 3.818 3.372 1.00 97.66 34 A 1 ATOM 277 C CH2 . TRP A 1 34 ? 7.316 3.696 4.385 1.00 97.39 34 A 1 ATOM 278 N N . GLU A 1 35 ? 6.132 8.851 -2.078 1.00 97.98 35 A 1 ATOM 279 C CA . GLU A 1 35 ? 5.478 9.062 -3.375 1.00 97.73 35 A 1 ATOM 280 C C . GLU A 1 35 ? 6.132 10.204 -4.167 1.00 97.62 35 A 1 ATOM 281 O O . GLU A 1 35 ? 6.409 10.065 -5.361 1.00 97.11 35 A 1 ATOM 282 C CB . GLU A 1 35 ? 3.995 9.356 -3.137 1.00 97.21 35 A 1 ATOM 283 C CG . GLU A 1 35 ? 3.171 9.323 -4.438 1.00 92.53 35 A 1 ATOM 284 C CD . GLU A 1 35 ? 1.973 10.266 -4.347 1.00 90.99 35 A 1 ATOM 285 O OE1 . GLU A 1 35 ? 1.787 11.119 -5.253 1.00 83.89 35 A 1 ATOM 286 O OE2 . GLU A 1 35 ? 1.288 10.288 -3.317 1.00 84.93 35 A 1 ATOM 287 N N . ARG A 1 36 ? 6.443 11.319 -3.487 1.00 97.29 36 A 1 ATOM 288 C CA . ARG A 1 36 ? 7.133 12.470 -4.107 1.00 96.96 36 A 1 ATOM 289 C C . ARG A 1 36 ? 8.599 12.185 -4.441 1.00 96.93 36 A 1 ATOM 290 O O . ARG A 1 36 ? 9.191 12.917 -5.234 1.00 96.25 36 A 1 ATOM 291 C CB . ARG A 1 36 ? 7.012 13.694 -3.193 1.00 96.53 36 A 1 ATOM 292 C CG . ARG A 1 36 ? 5.567 14.201 -3.096 1.00 95.22 36 A 1 ATOM 293 C CD . ARG A 1 36 ? 5.535 15.405 -2.156 1.00 93.30 36 A 1 ATOM 294 N NE . ARG A 1 36 ? 4.155 15.753 -1.789 1.00 88.24 36 A 1 ATOM 295 C CZ . ARG A 1 36 ? 3.727 16.913 -1.341 1.00 84.67 36 A 1 ATOM 296 N NH1 . ARG A 1 36 ? 4.473 17.982 -1.320 1.00 78.38 36 A 1 ATOM 297 N NH2 . ARG A 1 36 ? 2.521 16.998 -0.865 1.00 76.87 36 A 1 ATOM 298 N N . GLY A 1 37 ? 9.163 11.120 -3.874 1.00 97.26 37 A 1 ATOM 299 C CA . GLY A 1 37 ? 10.573 10.761 -4.037 1.00 96.93 37 A 1 ATOM 300 C C . GLY A 1 37 ? 11.534 11.598 -3.190 1.00 97.27 37 A 1 ATOM 301 O O . GLY A 1 37 ? 12.736 11.569 -3.446 1.00 96.52 37 A 1 ATOM 302 N N . GLU A 1 38 ? 11.022 12.312 -2.186 1.00 97.38 38 A 1 ATOM 303 C CA . GLU A 1 38 ? 11.822 13.054 -1.197 1.00 97.50 38 A 1 ATOM 304 C C . GLU A 1 38 ? 12.555 12.100 -0.240 1.00 97.58 38 A 1 ATOM 305 O O . GLU A 1 38 ? 13.652 12.382 0.227 1.00 97.03 38 A 1 ATOM 306 C CB . GLU A 1 38 ? 10.900 13.969 -0.374 1.00 97.25 38 A 1 ATOM 307 C CG . GLU A 1 38 ? 10.276 15.111 -1.189 1.00 94.51 38 A 1 ATOM 308 C CD . GLU A 1 38 ? 9.209 15.893 -0.397 1.00 92.68 38 A 1 ATOM 309 O OE1 . GLU A 1 38 ? 8.368 16.561 -1.051 1.00 86.61 38 A 1 ATOM 310 O OE2 . GLU A 1 38 ? 9.187 15.786 0.852 1.00 87.49 38 A 1 ATOM 311 N N . GLN A 1 39 ? 11.954 10.940 0.022 1.00 97.78 39 A 1 ATOM 312 C CA . GLN A 1 39 ? 12.549 9.864 0.802 1.00 97.78 39 A 1 ATOM 313 C C . GLN A 1 39 ? 12.376 8.537 0.061 1.00 97.93 39 A 1 ATOM 314 O O . GLN A 1 39 ? 11.345 8.278 -0.551 1.00 97.71 39 A 1 ATOM 315 C CB . GLN A 1 39 ? 11.912 9.860 2.198 1.00 97.38 39 A 1 ATOM 316 C CG . GLN A 1 39 ? 12.569 8.860 3.153 1.00 90.51 39 A 1 ATOM 317 C CD . GLN A 1 39 ? 11.996 8.926 4.568 1.00 89.53 39 A 1 ATOM 318 O OE1 . GLN A 1 39 ? 11.314 9.855 4.966 1.00 84.16 39 A 1 ATOM 319 N NE2 . GLN A 1 39 ? 12.260 7.938 5.391 1.00 80.68 39 A 1 ATOM 320 N N . LYS A 1 40 ? 13.388 7.667 0.120 1.00 97.72 40 A 1 ATOM 321 C CA . LYS A 1 40 ? 13.290 6.318 -0.452 1.00 97.41 40 A 1 ATOM 322 C C . LYS A 1 40 ? 12.685 5.361 0.580 1.00 97.82 40 A 1 ATOM 323 O O . LYS A 1 40 ? 13.205 5.292 1.696 1.00 97.50 40 A 1 ATOM 324 C CB . LYS A 1 40 ? 14.660 5.825 -0.939 1.00 96.04 40 A 1 ATOM 325 C CG . LYS A 1 40 ? 15.139 6.606 -2.173 1.00 86.63 40 A 1 ATOM 326 C CD . LYS A 1 40 ? 16.462 6.037 -2.699 1.00 83.06 40 A 1 ATOM 327 C CE . LYS A 1 40 ? 16.927 6.826 -3.928 1.00 74.53 40 A 1 ATOM 328 N NZ . LYS A 1 40 ? 18.213 6.306 -4.460 1.00 65.23 40 A 1 ATOM 329 N N . PRO A 1 41 ? 11.618 4.603 0.228 1.00 98.01 41 A 1 ATOM 330 C CA . PRO A 1 41 ? 11.123 3.538 1.083 1.00 97.92 41 A 1 ATOM 331 C C . PRO A 1 41 ? 12.137 2.391 1.163 1.00 98.05 41 A 1 ATOM 332 O O . PRO A 1 41 ? 12.932 2.171 0.242 1.00 97.58 41 A 1 ATOM 333 C CB . PRO A 1 41 ? 9.797 3.094 0.466 1.00 97.22 41 A 1 ATOM 334 C CG . PRO A 1 41 ? 9.964 3.417 -1.013 1.00 95.20 41 A 1 ATOM 335 C CD . PRO A 1 41 ? 10.876 4.646 -1.018 1.00 97.42 41 A 1 ATOM 336 N N . GLN A 1 42 ? 12.072 1.624 2.251 1.00 97.73 42 A 1 ATOM 337 C CA . GLN A 1 42 ? 12.836 0.386 2.391 1.00 97.51 42 A 1 ATOM 338 C C . GLN A 1 42 ? 12.318 -0.684 1.417 1.00 97.97 42 A 1 ATOM 339 O O . GLN A 1 42 ? 11.161 -0.653 0.999 1.00 97.62 42 A 1 ATOM 340 C CB . GLN A 1 42 ? 12.763 -0.111 3.839 1.00 96.40 42 A 1 ATOM 341 C CG . GLN A 1 42 ? 13.442 0.850 4.831 1.00 87.67 42 A 1 ATOM 342 C CD . GLN A 1 42 ? 13.376 0.339 6.273 1.00 79.31 42 A 1 ATOM 343 O OE1 . GLN A 1 42 ? 12.736 -0.647 6.589 1.00 71.67 42 A 1 ATOM 344 N NE2 . GLN A 1 42 ? 14.027 0.996 7.206 1.00 67.59 42 A 1 ATOM 345 N N . ALA A 1 43 ? 13.144 -1.679 1.094 1.00 97.89 43 A 1 ATOM 346 C CA . ALA A 1 43 ? 12.762 -2.768 0.187 1.00 97.94 43 A 1 ATOM 347 C C . ALA A 1 43 ? 11.488 -3.509 0.648 1.00 98.16 43 A 1 ATOM 348 O O . ALA A 1 43 ? 10.632 -3.832 -0.173 1.00 97.90 43 A 1 ATOM 349 C CB . ALA A 1 43 ? 13.953 -3.727 0.058 1.00 97.42 43 A 1 ATOM 350 N N . ALA A 1 44 ? 11.316 -3.685 1.967 1.00 98.16 44 A 1 ATOM 351 C CA . ALA A 1 44 ? 10.132 -4.313 2.560 1.00 98.13 44 A 1 ATOM 352 C C . ALA A 1 44 ? 8.808 -3.610 2.192 1.00 98.32 44 A 1 ATOM 353 O O . ALA A 1 44 ? 7.784 -4.276 2.050 1.00 98.06 44 A 1 ATOM 354 C CB . ALA A 1 44 ? 10.333 -4.343 4.080 1.00 97.50 44 A 1 ATOM 355 N N . VAL A 1 45 ? 8.820 -2.295 1.982 1.00 98.40 45 A 1 ATOM 356 C CA . VAL A 1 45 ? 7.629 -1.530 1.568 1.00 98.46 45 A 1 ATOM 357 C C . VAL A 1 45 ? 7.163 -1.964 0.180 1.00 98.54 45 A 1 ATOM 358 O O . VAL A 1 45 ? 5.969 -2.129 -0.040 1.00 98.45 45 A 1 ATOM 359 C CB . VAL A 1 45 ? 7.909 -0.015 1.588 1.00 98.23 45 A 1 ATOM 360 C CG1 . VAL A 1 45 ? 6.706 0.811 1.110 1.00 97.76 45 A 1 ATOM 361 C CG2 . VAL A 1 45 ? 8.279 0.451 3.005 1.00 97.74 45 A 1 ATOM 362 N N . TYR A 1 46 ? 8.085 -2.209 -0.745 1.00 98.29 46 A 1 ATOM 363 C CA . TYR A 1 46 ? 7.726 -2.698 -2.077 1.00 98.19 46 A 1 ATOM 364 C C . TYR A 1 46 ? 7.148 -4.114 -2.027 1.00 98.26 46 A 1 ATOM 365 O O . TYR A 1 46 ? 6.175 -4.382 -2.724 1.00 97.98 46 A 1 ATOM 366 C CB . TYR A 1 46 ? 8.938 -2.636 -3.004 1.00 97.82 46 A 1 ATOM 367 C CG . TYR A 1 46 ? 9.447 -1.232 -3.265 1.00 97.65 46 A 1 ATOM 368 C CD1 . TYR A 1 46 ? 8.621 -0.298 -3.927 1.00 96.24 46 A 1 ATOM 369 C CD2 . TYR A 1 46 ? 10.745 -0.868 -2.867 1.00 96.32 46 A 1 ATOM 370 C CE1 . TYR A 1 46 ? 9.107 0.990 -4.214 1.00 95.26 46 A 1 ATOM 371 C CE2 . TYR A 1 46 ? 11.234 0.418 -3.156 1.00 95.59 46 A 1 ATOM 372 C CZ . TYR A 1 46 ? 10.419 1.346 -3.840 1.00 95.84 46 A 1 ATOM 373 O OH . TYR A 1 46 ? 10.905 2.577 -4.148 1.00 94.03 46 A 1 ATOM 374 N N . THR A 1 47 ? 7.673 -4.978 -1.166 1.00 98.42 47 A 1 ATOM 375 C CA . THR A 1 47 ? 7.092 -6.307 -0.921 1.00 98.42 47 A 1 ATOM 376 C C . THR A 1 47 ? 5.668 -6.200 -0.368 1.00 98.53 47 A 1 ATOM 377 O O . THR A 1 47 ? 4.777 -6.888 -0.851 1.00 98.44 47 A 1 ATOM 378 C CB . THR A 1 47 ? 7.967 -7.115 0.050 1.00 98.20 47 A 1 ATOM 379 O OG1 . THR A 1 47 ? 9.296 -7.159 -0.417 1.00 95.71 47 A 1 ATOM 380 C CG2 . THR A 1 47 ? 7.495 -8.559 0.209 1.00 95.38 47 A 1 ATOM 381 N N . ALA A 1 48 ? 5.427 -5.298 0.591 1.00 98.48 48 A 1 ATOM 382 C CA . ALA A 1 48 ? 4.086 -5.056 1.122 1.00 98.40 48 A 1 ATOM 383 C C . ALA A 1 48 ? 3.118 -4.556 0.032 1.00 98.51 48 A 1 ATOM 384 O O . ALA A 1 48 ? 1.995 -5.039 -0.062 1.00 98.42 48 A 1 ATOM 385 C CB . ALA A 1 48 ? 4.193 -4.073 2.294 1.00 98.08 48 A 1 ATOM 386 N N . VAL A 1 49 ? 3.564 -3.652 -0.840 1.00 98.62 49 A 1 ATOM 387 C CA . VAL A 1 49 ? 2.778 -3.178 -1.991 1.00 98.65 49 A 1 ATOM 388 C C . VAL A 1 49 ? 2.442 -4.322 -2.955 1.00 98.70 49 A 1 ATOM 389 O O . VAL A 1 49 ? 1.295 -4.434 -3.385 1.00 98.66 49 A 1 ATOM 390 C CB . VAL A 1 49 ? 3.523 -2.039 -2.710 1.00 98.51 49 A 1 ATOM 391 C CG1 . VAL A 1 49 ? 2.899 -1.670 -4.057 1.00 97.84 49 A 1 ATOM 392 C CG2 . VAL A 1 49 ? 3.512 -0.770 -1.850 1.00 97.92 49 A 1 ATOM 393 N N . ASP A 1 50 ? 3.394 -5.200 -3.261 1.00 98.51 50 A 1 ATOM 394 C CA . ASP A 1 50 ? 3.148 -6.360 -4.126 1.00 98.42 50 A 1 ATOM 395 C C . ASP A 1 50 ? 2.127 -7.327 -3.489 1.00 98.51 50 A 1 ATOM 396 O O . ASP A 1 50 ? 1.253 -7.857 -4.179 1.00 98.38 50 A 1 ATOM 397 C CB . ASP A 1 50 ? 4.470 -7.085 -4.435 1.00 98.03 50 A 1 ATOM 398 C CG . ASP A 1 50 ? 5.473 -6.275 -5.268 1.00 94.24 50 A 1 ATOM 399 O OD1 . ASP A 1 50 ? 5.099 -5.352 -6.025 1.00 91.20 50 A 1 ATOM 400 O OD2 . ASP A 1 50 ? 6.686 -6.565 -5.174 1.00 90.67 50 A 1 ATOM 401 N N . MET A 1 51 ? 2.172 -7.505 -2.162 1.00 98.36 51 A 1 ATOM 402 C CA . MET A 1 51 ? 1.171 -8.283 -1.421 1.00 98.24 51 A 1 ATOM 403 C C . MET A 1 51 ? -0.224 -7.639 -1.480 1.00 98.39 51 A 1 ATOM 404 O O . MET A 1 51 ? -1.204 -8.353 -1.696 1.00 98.27 51 A 1 ATOM 405 C CB . MET A 1 51 ? 1.597 -8.462 0.042 1.00 97.69 51 A 1 ATOM 406 C CG . MET A 1 51 ? 2.801 -9.400 0.196 1.00 89.42 51 A 1 ATOM 407 S SD . MET A 1 51 ? 3.411 -9.562 1.900 1.00 83.88 51 A 1 ATOM 408 C CE . MET A 1 51 ? 2.031 -10.459 2.665 1.00 71.98 51 A 1 ATOM 409 N N . LEU A 1 52 ? -0.333 -6.315 -1.341 1.00 98.53 52 A 1 ATOM 410 C CA . LEU A 1 52 ? -1.609 -5.593 -1.478 1.00 98.50 52 A 1 ATOM 411 C C . LEU A 1 52 ? -2.209 -5.771 -2.882 1.00 98.58 52 A 1 ATOM 412 O O . LEU A 1 52 ? -3.392 -6.089 -3.009 1.00 98.54 52 A 1 ATOM 413 C CB . LEU A 1 52 ? -1.409 -4.094 -1.177 1.00 98.35 52 A 1 ATOM 414 C CG . LEU A 1 52 ? -1.102 -3.746 0.288 1.00 97.73 52 A 1 ATOM 415 C CD1 . LEU A 1 52 ? -0.683 -2.278 0.388 1.00 97.26 52 A 1 ATOM 416 C CD2 . LEU A 1 52 ? -2.311 -3.958 1.197 1.00 97.23 52 A 1 ATOM 417 N N . LEU A 1 53 ? -1.390 -5.640 -3.920 1.00 98.67 53 A 1 ATOM 418 C CA . LEU A 1 53 ? -1.812 -5.867 -5.309 1.00 98.66 53 A 1 ATOM 419 C C . LEU A 1 53 ? -2.262 -7.316 -5.538 1.00 98.67 53 A 1 ATOM 420 O O . LEU A 1 53 ? -3.266 -7.558 -6.207 1.00 98.63 53 A 1 ATOM 421 C CB . LEU A 1 53 ? -0.646 -5.521 -6.253 1.00 98.67 53 A 1 ATOM 422 C CG . LEU A 1 53 ? -0.351 -4.016 -6.383 1.00 98.38 53 A 1 ATOM 423 C CD1 . LEU A 1 53 ? 0.972 -3.819 -7.121 1.00 97.95 53 A 1 ATOM 424 C CD2 . LEU A 1 53 ? -1.444 -3.291 -7.171 1.00 98.02 53 A 1 ATOM 425 N N . PHE A 1 54 ? -1.552 -8.284 -4.962 1.00 98.62 54 A 1 ATOM 426 C CA . PHE A 1 54 ? -1.932 -9.694 -5.035 1.00 98.57 54 A 1 ATOM 427 C C . PHE A 1 54 ? -3.274 -9.957 -4.338 1.00 98.57 54 A 1 ATOM 428 O O . PHE A 1 54 ? -4.154 -10.582 -4.925 1.00 98.51 54 A 1 ATOM 429 C CB . PHE A 1 54 ? -0.810 -10.552 -4.440 1.00 98.49 54 A 1 ATOM 430 C CG . PHE A 1 54 ? -1.146 -12.030 -4.417 1.00 97.98 54 A 1 ATOM 431 C CD1 . PHE A 1 54 ? -1.671 -12.622 -3.251 1.00 96.84 54 A 1 ATOM 432 C CD2 . PHE A 1 54 ? -0.967 -12.810 -5.574 1.00 97.12 54 A 1 ATOM 433 C CE1 . PHE A 1 54 ? -2.000 -13.989 -3.241 1.00 96.02 54 A 1 ATOM 434 C CE2 . PHE A 1 54 ? -1.296 -14.176 -5.562 1.00 96.26 54 A 1 ATOM 435 C CZ . PHE A 1 54 ? -1.810 -14.766 -4.393 1.00 95.62 54 A 1 ATOM 436 N N . MET A 1 55 ? -3.460 -9.449 -3.117 1.00 98.37 55 A 1 ATOM 437 C CA . MET A 1 55 ? -4.723 -9.582 -2.378 1.00 98.23 55 A 1 ATOM 438 C C . MET A 1 55 ? -5.889 -8.902 -3.106 1.00 98.37 55 A 1 ATOM 439 O O . MET A 1 55 ? -6.982 -9.466 -3.164 1.00 98.26 55 A 1 ATOM 440 C CB . MET A 1 55 ? -4.577 -8.992 -0.972 1.00 97.83 55 A 1 ATOM 441 C CG . MET A 1 55 ? -3.710 -9.876 -0.068 1.00 95.95 55 A 1 ATOM 442 S SD . MET A 1 55 ? -3.634 -9.335 1.660 1.00 93.78 55 A 1 ATOM 443 C CE . MET A 1 55 ? -2.661 -7.820 1.511 1.00 83.71 55 A 1 ATOM 444 N N . HIS A 1 56 ? -5.648 -7.742 -3.713 1.00 98.43 56 A 1 ATOM 445 C CA . HIS A 1 56 ? -6.632 -7.064 -4.556 1.00 98.40 56 A 1 ATOM 446 C C . HIS A 1 56 ? -7.036 -7.926 -5.757 1.00 98.43 56 A 1 ATOM 447 O O . HIS A 1 56 ? -8.224 -8.156 -5.976 1.00 98.29 56 A 1 ATOM 448 C CB . HIS A 1 56 ? -6.070 -5.707 -4.993 1.00 98.31 56 A 1 ATOM 449 C CG . HIS A 1 56 ? -7.043 -4.931 -5.845 1.00 97.91 56 A 1 ATOM 450 N ND1 . HIS A 1 56 ? -8.179 -4.292 -5.409 1.00 90.64 56 A 1 ATOM 451 C CD2 . HIS A 1 56 ? -6.977 -4.758 -7.202 1.00 91.86 56 A 1 ATOM 452 C CE1 . HIS A 1 56 ? -8.782 -3.746 -6.480 1.00 92.76 56 A 1 ATOM 453 N NE2 . HIS A 1 56 ? -8.085 -4.004 -7.592 1.00 94.28 56 A 1 ATOM 454 N N . ALA A 1 57 ? -6.067 -8.491 -6.476 1.00 98.47 57 A 1 ATOM 455 C CA . ALA A 1 57 ? -6.331 -9.382 -7.610 1.00 98.37 57 A 1 ATOM 456 C C . ALA A 1 57 ? -7.085 -10.667 -7.211 1.00 98.39 57 A 1 ATOM 457 O O . ALA A 1 57 ? -7.768 -11.266 -8.043 1.00 98.12 57 A 1 ATOM 458 C CB . ALA A 1 57 ? -4.986 -9.715 -8.276 1.00 98.19 57 A 1 ATOM 459 N N . LYS A 1 58 ? -6.962 -11.103 -5.949 1.00 98.33 58 A 1 ATOM 460 C CA . LYS A 1 58 ? -7.687 -12.253 -5.387 1.00 98.18 58 A 1 ATOM 461 C C . LYS A 1 58 ? -9.038 -11.891 -4.756 1.00 98.17 58 A 1 ATOM 462 O O . LYS A 1 58 ? -9.749 -12.796 -4.334 1.00 97.85 58 A 1 ATOM 463 C CB . LYS A 1 58 ? -6.773 -12.995 -4.391 1.00 98.00 58 A 1 ATOM 464 C CG . LYS A 1 58 ? -5.550 -13.669 -5.041 1.00 95.98 58 A 1 ATOM 465 C CD . LYS A 1 58 ? -5.949 -14.743 -6.055 1.00 91.45 58 A 1 ATOM 466 C CE . LYS A 1 58 ? -4.709 -15.438 -6.608 1.00 88.08 58 A 1 ATOM 467 N NZ . LYS A 1 58 ? -5.078 -16.450 -7.630 1.00 79.12 58 A 1 ATOM 468 N N . GLY A 1 59 ? -9.394 -10.605 -4.673 1.00 98.06 59 A 1 ATOM 469 C CA . GLY A 1 59 ? -10.645 -10.136 -4.064 1.00 97.88 59 A 1 ATOM 470 C C . GLY A 1 59 ? -10.691 -10.214 -2.532 1.00 97.92 59 A 1 ATOM 471 O O . GLY A 1 59 ? -11.757 -10.027 -1.962 1.00 97.25 59 A 1 ATOM 472 N N . ILE A 1 60 ? -9.561 -10.460 -1.865 1.00 97.79 60 A 1 ATOM 473 C CA . ILE A 1 60 ? -9.476 -10.623 -0.394 1.00 97.52 60 A 1 ATOM 474 C C . ILE A 1 60 ? -8.914 -9.387 0.326 1.00 97.34 60 A 1 ATOM 475 O O . ILE A 1 60 ? -8.749 -9.384 1.541 1.00 97.06 60 A 1 ATOM 476 C CB . ILE A 1 60 ? -8.691 -11.903 -0.018 1.00 97.39 60 A 1 ATOM 477 C CG1 . ILE A 1 60 ? -7.230 -11.835 -0.519 1.00 96.56 60 A 1 ATOM 478 C CG2 . ILE A 1 60 ? -9.419 -13.151 -0.554 1.00 95.25 60 A 1 ATOM 479 C CD1 . ILE A 1 60 ? -6.337 -12.980 -0.042 1.00 94.09 60 A 1 ATOM 480 N N . LEU A 1 61 ? -8.598 -8.318 -0.406 1.00 97.02 61 A 1 ATOM 481 C CA . LEU A 1 61 ? -7.993 -7.110 0.164 1.00 96.74 61 A 1 ATOM 482 C C . LEU A 1 61 ? -8.907 -6.425 1.187 1.00 96.20 61 A 1 ATOM 483 O O . LEU A 1 61 ? -8.437 -6.014 2.242 1.00 95.63 61 A 1 ATOM 484 C CB . LEU A 1 61 ? -7.613 -6.158 -0.980 1.00 96.73 61 A 1 ATOM 485 C CG . LEU A 1 61 ? -6.991 -4.828 -0.510 1.00 96.08 61 A 1 ATOM 486 C CD1 . LEU A 1 61 ? -5.687 -5.028 0.264 1.00 94.62 61 A 1 ATOM 487 C CD2 . LEU A 1 61 ? -6.700 -3.959 -1.729 1.00 94.60 61 A 1 ATOM 488 N N . THR A 1 62 ? -10.215 -6.326 0.898 1.00 95.49 62 A 1 ATOM 489 C CA . THR A 1 62 ? -11.190 -5.685 1.795 1.00 94.63 62 A 1 ATOM 490 C C . THR A 1 62 ? -11.276 -6.401 3.143 1.00 94.37 62 A 1 ATOM 491 O O . THR A 1 62 ? -11.280 -5.748 4.180 1.00 93.38 62 A 1 ATOM 492 C CB . THR A 1 62 ? -12.579 -5.652 1.142 1.00 93.53 62 A 1 ATOM 493 O OG1 . THR A 1 62 ? -12.477 -5.081 -0.142 1.00 87.07 62 A 1 ATOM 494 C CG2 . THR A 1 62 ? -13.587 -4.823 1.932 1.00 85.18 62 A 1 ATOM 495 N N . GLU A 1 63 ? -11.289 -7.733 3.135 1.00 95.25 63 A 1 ATOM 496 C CA . GLU A 1 63 ? -11.288 -8.551 4.355 1.00 94.94 63 A 1 ATOM 497 C C . GLU A 1 63 ? -10.014 -8.314 5.182 1.00 94.60 63 A 1 ATOM 498 O O . GLU A 1 63 ? -10.074 -8.102 6.392 1.00 93.49 63 A 1 ATOM 499 C CB . GLU A 1 63 ? -11.418 -10.026 3.950 1.00 94.39 63 A 1 ATOM 500 C CG . GLU A 1 63 ? -11.554 -10.964 5.159 1.00 84.15 63 A 1 ATOM 501 C CD . GLU A 1 63 ? -11.583 -12.452 4.765 1.00 83.46 63 A 1 ATOM 502 O OE1 . GLU A 1 63 ? -11.460 -13.291 5.685 1.00 76.42 63 A 1 ATOM 503 O OE2 . GLU A 1 63 ? -11.688 -12.749 3.551 1.00 77.81 63 A 1 ATOM 504 N N . TRP A 1 64 ? -8.859 -8.274 4.526 1.00 94.98 64 A 1 ATOM 505 C CA . TRP A 1 64 ? -7.592 -7.996 5.206 1.00 93.49 64 A 1 ATOM 506 C C . TRP A 1 64 ? -7.545 -6.586 5.819 1.00 93.01 64 A 1 ATOM 507 O O . TRP A 1 64 ? -7.083 -6.426 6.949 1.00 91.25 64 A 1 ATOM 508 C CB . TRP A 1 64 ? -6.440 -8.219 4.221 1.00 92.02 64 A 1 ATOM 509 C CG . TRP A 1 64 ? -5.090 -8.031 4.832 1.00 89.88 64 A 1 ATOM 510 C CD1 . TRP A 1 64 ? -4.402 -8.969 5.515 1.00 84.46 64 A 1 ATOM 511 C CD2 . TRP A 1 64 ? -4.283 -6.819 4.897 1.00 87.11 64 A 1 ATOM 512 N NE1 . TRP A 1 64 ? -3.226 -8.431 5.991 1.00 82.50 64 A 1 ATOM 513 C CE2 . TRP A 1 64 ? -3.102 -7.102 5.643 1.00 85.41 64 A 1 ATOM 514 C CE3 . TRP A 1 64 ? -4.432 -5.505 4.405 1.00 81.23 64 A 1 ATOM 515 C CZ2 . TRP A 1 64 ? -2.119 -6.132 5.892 1.00 82.62 64 A 1 ATOM 516 C CZ3 . TRP A 1 64 ? -3.451 -4.527 4.651 1.00 78.14 64 A 1 ATOM 517 C CH2 . TRP A 1 64 ? -2.297 -4.837 5.392 1.00 78.71 64 A 1 ATOM 518 N N . MET A 1 65 ? -8.061 -5.568 5.108 1.00 92.78 65 A 1 ATOM 519 C CA . MET A 1 65 ? -8.112 -4.182 5.594 1.00 91.68 65 A 1 ATOM 520 C C . MET A 1 65 ? -9.029 -4.045 6.815 1.00 90.63 65 A 1 ATOM 521 O O . MET A 1 65 ? -8.636 -3.399 7.784 1.00 88.24 65 A 1 ATOM 522 C CB . MET A 1 65 ? -8.570 -3.244 4.465 1.00 91.54 65 A 1 ATOM 523 C CG . MET A 1 65 ? -7.504 -3.050 3.377 1.00 88.97 65 A 1 ATOM 524 S SD . MET A 1 65 ? -5.979 -2.189 3.869 1.00 85.10 65 A 1 ATOM 525 C CE . MET A 1 65 ? -6.635 -0.546 4.260 1.00 75.75 65 A 1 ATOM 526 N N . SER A 1 66 ? -10.201 -4.695 6.808 1.00 92.64 66 A 1 ATOM 527 C CA . SER A 1 66 ? -11.155 -4.649 7.934 1.00 91.37 66 A 1 ATOM 528 C C . SER A 1 66 ? -10.621 -5.279 9.224 1.00 89.17 66 A 1 ATOM 529 O O . SER A 1 66 ? -11.017 -4.886 10.312 1.00 83.97 66 A 1 ATOM 530 C CB . SER A 1 66 ? -12.472 -5.324 7.546 1.00 90.91 66 A 1 ATOM 531 O OG . SER A 1 66 ? -12.328 -6.720 7.357 1.00 85.59 66 A 1 ATOM 532 N N . ARG A 1 67 ? -9.687 -6.223 9.122 1.00 89.68 67 A 1 ATOM 533 C CA . ARG A 1 67 ? -9.019 -6.831 10.284 1.00 85.85 67 A 1 ATOM 534 C C . ARG A 1 67 ? -8.017 -5.891 10.966 1.00 83.12 67 A 1 ATOM 535 O O . ARG A 1 67 ? -7.587 -6.160 12.087 1.00 77.73 67 A 1 ATOM 536 C CB . ARG A 1 67 ? -8.359 -8.141 9.816 1.00 84.64 67 A 1 ATOM 537 C CG . ARG A 1 67 ? -7.734 -8.921 10.973 1.00 79.61 67 A 1 ATOM 538 C CD . ARG A 1 67 ? -7.091 -10.212 10.483 1.00 76.37 67 A 1 ATOM 539 N NE . ARG A 1 67 ? -6.348 -10.850 11.585 1.00 70.57 67 A 1 ATOM 540 C CZ . ARG A 1 67 ? -5.606 -11.935 11.503 1.00 64.97 67 A 1 ATOM 541 N NH1 . ARG A 1 67 ? -5.478 -12.593 10.388 1.00 59.44 67 A 1 ATOM 542 N NH2 . ARG A 1 67 ? -4.973 -12.375 12.552 1.00 57.65 67 A 1 ATOM 543 N N . SER A 1 68 ? -7.583 -4.847 10.264 1.00 78.37 68 A 1 ATOM 544 C CA . SER A 1 68 ? -6.534 -3.922 10.721 1.00 73.85 68 A 1 ATOM 545 C C . SER A 1 68 ? -7.094 -2.676 11.432 1.00 71.65 68 A 1 ATOM 546 O O . SER A 1 68 ? -6.313 -1.794 11.788 1.00 65.86 68 A 1 ATOM 547 C CB . SER A 1 68 ? -5.632 -3.527 9.543 1.00 70.60 68 A 1 ATOM 548 O OG . SER A 1 68 ? -5.104 -4.675 8.884 1.00 66.49 68 A 1 ATOM 549 N N . GLU A 1 69 ? -8.424 -2.599 11.612 1.00 75.60 69 A 1 ATOM 550 C CA . GLU A 1 69 ? -9.138 -1.567 12.383 1.00 74.08 69 A 1 ATOM 551 C C . GLU A 1 69 ? -9.475 -2.068 13.797 1.00 68.70 69 A 1 ATOM 552 O O . GLU A 1 69 ? -9.360 -1.254 14.744 1.00 61.97 69 A 1 ATOM 553 C CB . GLU A 1 69 ? -10.410 -1.107 11.634 1.00 67.77 69 A 1 ATOM 554 C CG . GLU A 1 69 ? -10.093 -0.418 10.292 1.00 61.06 69 A 1 ATOM 555 C CD . GLU A 1 69 ? -11.302 0.280 9.634 1.00 58.21 69 A 1 ATOM 556 O OE1 . GLU A 1 69 ? -11.070 1.355 9.020 1.00 55.47 69 A 1 ATOM 557 O OE2 . GLU A 1 69 ? -12.435 -0.242 9.705 1.00 56.49 69 A 1 ATOM 558 O OXT . GLU A 1 69 ? -9.839 -3.257 13.919 1.00 60.73 69 A 1 #