# 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_ddra # _entry.id ddra # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "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 THR 2 1 n LEU 3 1 n SER 4 1 n ALA 5 1 n ILE 6 1 n GLU 7 1 n LEU 8 1 n MET 9 1 n ASP 10 1 n LEU 11 1 n SER 12 1 n ASP 13 1 n LYS 14 1 n LEU 15 1 n ASP 16 1 n ALA 17 1 n LEU 18 1 n MET 19 1 n SER 20 1 n LYS 21 1 n ALA 22 1 n ALA 23 1 n THR 24 1 n ALA 25 1 n SER 26 1 n GLY 27 1 n MET 28 1 n GLU 29 1 n LEU 30 1 n LEU 31 1 n ASP 32 1 n ILE 33 1 n SER 34 1 n ASP 35 1 n GLU 36 1 n ILE 37 1 n ASP 38 1 n GLN 39 1 n ILE 40 1 n MET 41 1 n GLN 42 1 n GLN 43 1 n MET 44 1 n GLY 45 1 n TYR 46 1 n GLY 47 1 n ALA 48 1 n SER 49 1 n GLY 50 1 n ASP 51 1 n GLY 52 1 n SER 53 1 n GLY 54 1 n GLU 55 1 n GLU 56 1 n LYS 57 1 n GLN 58 1 n PRO 59 1 n SER 60 1 n GLU 61 1 n HIS 62 1 n ASP 63 1 n GLY 64 1 n VAL 65 1 n PRO 66 1 n LYS 67 1 n LEU 68 1 n VAL 69 1 n ALA 70 1 n ASP 71 1 n PHE 72 1 n LEU 73 1 n ALA 74 1 n ASP 75 1 n LYS 76 1 n PHE 77 1 n VAL 78 1 n ASP 79 1 n GLN 80 1 n SER 81 1 n THR 82 1 n ASP 83 1 n ALA 84 1 n PHE 85 1 n ILE 86 1 n GLY 87 1 n THR 88 1 n LEU 89 1 n GLN 90 1 n ASP 91 1 n LEU 92 1 n SER 93 1 n GLN 94 1 n TYR 95 1 n VAL 96 1 n GLY 97 1 n ILE 98 1 n TYR 99 1 n ILE 100 1 n ASP 101 1 n LEU 102 1 n ASP 103 1 n GLN 104 1 n VAL 105 1 n LYS 106 1 n GLN 107 1 n HIS 108 1 n THR 109 1 n ALA 110 1 n ALA 111 1 n TRP 112 1 n ILE 113 1 n ALA 114 1 n ALA 115 1 n ASN 116 1 n ILE 117 1 n LYS 118 1 n GLU 119 1 n ALA 120 1 n ALA 121 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:33:24)" _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 81.65 _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 67.89 1 1 A THR 2 2 78.51 1 2 A LEU 3 2 86.01 1 3 A SER 4 2 90.08 1 4 A ALA 5 2 92.62 1 5 A ILE 6 2 91.53 1 6 A GLU 7 2 88.13 1 7 A LEU 8 2 87.77 1 8 A MET 9 2 87.83 1 9 A ASP 10 2 91.81 1 10 A LEU 11 2 93.38 1 11 A SER 12 2 93.24 1 12 A ASP 13 2 94.71 1 13 A LYS 14 2 88.18 1 14 A LEU 15 2 92.49 1 15 A ASP 16 2 90.23 1 16 A ALA 17 2 96.81 1 17 A LEU 18 2 94.13 1 18 A MET 19 2 88.35 1 19 A SER 20 2 93.67 1 20 A LYS 21 2 88.09 1 21 A ALA 22 2 94.13 1 22 A ALA 23 2 93.83 1 23 A THR 24 2 93.01 1 24 A ALA 25 2 93.56 1 25 A SER 26 2 89.58 1 26 A GLY 27 2 91.54 1 27 A MET 28 2 87.02 1 28 A GLU 29 2 85.28 1 29 A LEU 30 2 89.19 1 30 A LEU 31 2 87.39 1 31 A ASP 32 2 92.11 1 32 A ILE 33 2 94.45 1 33 A SER 34 2 89.43 1 34 A ASP 35 2 90.12 1 35 A GLU 36 2 89.23 1 36 A ILE 37 2 92.81 1 37 A ASP 38 2 85.88 1 38 A GLN 39 2 86.40 1 39 A ILE 40 2 93.17 1 40 A MET 41 2 84.94 1 41 A GLN 42 2 83.47 1 42 A GLN 43 2 87.67 1 43 A MET 44 2 88.02 1 44 A GLY 45 2 84.80 1 45 A TYR 46 2 75.57 1 46 A GLY 47 2 54.39 1 47 A ALA 48 2 41.58 1 48 A SER 49 2 36.76 1 49 A GLY 50 2 36.44 1 50 A ASP 51 2 32.25 1 51 A GLY 52 2 31.45 1 52 A SER 53 2 29.23 1 53 A GLY 54 2 31.77 1 54 A GLU 55 2 25.24 1 55 A GLU 56 2 24.61 1 56 A LYS 57 2 28.52 1 57 A GLN 58 2 26.80 1 58 A PRO 59 2 29.19 1 59 A SER 60 2 35.02 1 60 A GLU 61 2 27.32 1 61 A HIS 62 2 37.37 1 62 A ASP 63 2 53.34 1 63 A GLY 64 2 77.31 1 64 A VAL 65 2 85.16 1 65 A PRO 66 2 90.36 1 66 A LYS 67 2 82.06 1 67 A LEU 68 2 93.13 1 68 A VAL 69 2 94.16 1 69 A ALA 70 2 93.91 1 70 A ASP 71 2 93.01 1 71 A PHE 72 2 95.67 1 72 A LEU 73 2 93.31 1 73 A ALA 74 2 93.51 1 74 A ASP 75 2 91.46 1 75 A LYS 76 2 88.97 1 76 A PHE 77 2 94.61 1 77 A VAL 78 2 90.04 1 78 A ASP 79 2 86.27 1 79 A GLN 80 2 89.40 1 80 A SER 81 2 92.14 1 81 A THR 82 2 92.32 1 82 A ASP 83 2 87.26 1 83 A ALA 84 2 95.52 1 84 A PHE 85 2 95.66 1 85 A ILE 86 2 94.42 1 86 A GLY 87 2 95.81 1 87 A THR 88 2 96.32 1 88 A LEU 89 2 95.79 1 89 A GLN 90 2 88.59 1 90 A ASP 91 2 92.52 1 91 A LEU 92 2 94.19 1 92 A SER 93 2 93.11 1 93 A GLN 94 2 86.16 1 94 A TYR 95 2 91.29 1 95 A VAL 96 2 93.55 1 96 A GLY 97 2 91.86 1 97 A ILE 98 2 88.20 1 98 A TYR 99 2 89.75 1 99 A ILE 100 2 94.80 1 100 A ASP 101 2 88.49 1 101 A LEU 102 2 91.27 1 102 A ASP 103 2 91.68 1 103 A GLN 104 2 94.12 1 104 A VAL 105 2 96.67 1 105 A LYS 106 2 90.37 1 106 A GLN 107 2 87.95 1 107 A HIS 108 2 93.93 1 108 A THR 109 2 95.58 1 109 A ALA 110 2 94.65 1 110 A ALA 111 2 94.33 1 111 A TRP 112 2 94.35 1 112 A ILE 113 2 92.91 1 113 A ALA 114 2 92.17 1 114 A ALA 115 2 92.11 1 115 A ASN 116 2 87.85 1 116 A ILE 117 2 78.47 1 117 A LYS 118 2 61.75 1 118 A GLU 119 2 52.19 1 119 A ALA 120 2 45.46 1 120 A ALA 121 2 44.29 1 121 # _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 THR . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n GLU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n MET . 9 A 9 A 10 1 n ASP . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n ASP . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ASP . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n MET . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n LYS . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n THR . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n MET . 28 A 28 A 29 1 n GLU . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n LEU . 31 A 31 A 32 1 n ASP . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n SER . 34 A 34 A 35 1 n ASP . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n ILE . 37 A 37 A 38 1 n ASP . 38 A 38 A 39 1 n GLN . 39 A 39 A 40 1 n ILE . 40 A 40 A 41 1 n MET . 41 A 41 A 42 1 n GLN . 42 A 42 A 43 1 n GLN . 43 A 43 A 44 1 n MET . 44 A 44 A 45 1 n GLY . 45 A 45 A 46 1 n TYR . 46 A 46 A 47 1 n GLY . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n SER . 49 A 49 A 50 1 n GLY . 50 A 50 A 51 1 n ASP . 51 A 51 A 52 1 n GLY . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n GLY . 54 A 54 A 55 1 n GLU . 55 A 55 A 56 1 n GLU . 56 A 56 A 57 1 n LYS . 57 A 57 A 58 1 n GLN . 58 A 58 A 59 1 n PRO . 59 A 59 A 60 1 n SER . 60 A 60 A 61 1 n GLU . 61 A 61 A 62 1 n HIS . 62 A 62 A 63 1 n ASP . 63 A 63 A 64 1 n GLY . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n PRO . 66 A 66 A 67 1 n LYS . 67 A 67 A 68 1 n LEU . 68 A 68 A 69 1 n VAL . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n ASP . 71 A 71 A 72 1 n PHE . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n ALA . 74 A 74 A 75 1 n ASP . 75 A 75 A 76 1 n LYS . 76 A 76 A 77 1 n PHE . 77 A 77 A 78 1 n VAL . 78 A 78 A 79 1 n ASP . 79 A 79 A 80 1 n GLN . 80 A 80 A 81 1 n SER . 81 A 81 A 82 1 n THR . 82 A 82 A 83 1 n ASP . 83 A 83 A 84 1 n ALA . 84 A 84 A 85 1 n PHE . 85 A 85 A 86 1 n ILE . 86 A 86 A 87 1 n GLY . 87 A 87 A 88 1 n THR . 88 A 88 A 89 1 n LEU . 89 A 89 A 90 1 n GLN . 90 A 90 A 91 1 n ASP . 91 A 91 A 92 1 n LEU . 92 A 92 A 93 1 n SER . 93 A 93 A 94 1 n GLN . 94 A 94 A 95 1 n TYR . 95 A 95 A 96 1 n VAL . 96 A 96 A 97 1 n GLY . 97 A 97 A 98 1 n ILE . 98 A 98 A 99 1 n TYR . 99 A 99 A 100 1 n ILE . 100 A 100 A 101 1 n ASP . 101 A 101 A 102 1 n LEU . 102 A 102 A 103 1 n ASP . 103 A 103 A 104 1 n GLN . 104 A 104 A 105 1 n VAL . 105 A 105 A 106 1 n LYS . 106 A 106 A 107 1 n GLN . 107 A 107 A 108 1 n HIS . 108 A 108 A 109 1 n THR . 109 A 109 A 110 1 n ALA . 110 A 110 A 111 1 n ALA . 111 A 111 A 112 1 n TRP . 112 A 112 A 113 1 n ILE . 113 A 113 A 114 1 n ALA . 114 A 114 A 115 1 n ALA . 115 A 115 A 116 1 n ASN . 116 A 116 A 117 1 n ILE . 117 A 117 A 118 1 n LYS . 118 A 118 A 119 1 n GLU . 119 A 119 A 120 1 n ALA . 120 A 120 A 121 1 n ALA . 121 A 121 # _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 ? -5.136 -12.468 16.172 1.00 73.79 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.544 -12.799 16.484 1.00 76.82 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.314 -12.663 15.186 1.00 76.94 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.106 -11.674 14.499 1.00 70.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.112 -11.843 17.541 1.00 69.95 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.528 -12.099 18.936 1.00 62.71 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.117 -10.912 20.168 1.00 60.28 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.203 -11.434 21.625 1.00 51.67 1 A 1 ATOM 9 N N . THR A 1 2 ? -8.126 -13.649 14.815 1.00 83.56 2 A 1 ATOM 10 C CA . THR A 1 2 ? -9.034 -13.514 13.665 1.00 84.87 2 A 1 ATOM 11 C C . THR A 1 2 ? -10.275 -12.776 14.160 1.00 84.86 2 A 1 ATOM 12 O O . THR A 1 2 ? -11.021 -13.329 14.966 1.00 81.64 2 A 1 ATOM 13 C CB . THR A 1 2 ? -9.418 -14.885 13.092 1.00 79.52 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -9.777 -15.761 14.135 1.00 67.55 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -8.250 -15.528 12.340 1.00 67.59 2 A 1 ATOM 16 N N . LEU A 1 3 ? -10.459 -11.532 13.732 1.00 86.47 3 A 1 ATOM 17 C CA . LEU A 1 3 ? -11.637 -10.740 14.061 1.00 89.01 3 A 1 ATOM 18 C C . LEU A 1 3 ? -12.892 -11.424 13.512 1.00 90.01 3 A 1 ATOM 19 O O . LEU A 1 3 ? -12.902 -11.926 12.382 1.00 87.56 3 A 1 ATOM 20 C CB . LEU A 1 3 ? -11.493 -9.326 13.482 1.00 87.16 3 A 1 ATOM 21 C CG . LEU A 1 3 ? -10.413 -8.473 14.168 1.00 86.45 3 A 1 ATOM 22 C CD1 . LEU A 1 3 ? -10.146 -7.232 13.323 1.00 81.04 3 A 1 ATOM 23 C CD2 . LEU A 1 3 ? -10.828 -8.031 15.564 1.00 80.36 3 A 1 ATOM 24 N N . SER A 1 4 ? -13.951 -11.449 14.316 1.00 90.83 4 A 1 ATOM 25 C CA . SER A 1 4 ? -15.257 -11.924 13.859 1.00 92.47 4 A 1 ATOM 26 C C . SER A 1 4 ? -15.881 -10.894 12.910 1.00 92.66 4 A 1 ATOM 27 O O . SER A 1 4 ? -15.623 -9.700 13.028 1.00 91.60 4 A 1 ATOM 28 C CB . SER A 1 4 ? -16.175 -12.172 15.054 1.00 90.90 4 A 1 ATOM 29 O OG . SER A 1 4 ? -15.623 -13.178 15.889 1.00 82.04 4 A 1 ATOM 30 N N . ALA A 1 5 ? -16.768 -11.315 12.010 1.00 92.18 5 A 1 ATOM 31 C CA . ALA A 1 5 ? -17.427 -10.398 11.064 1.00 93.69 5 A 1 ATOM 32 C C . ALA A 1 5 ? -18.137 -9.209 11.754 1.00 93.83 5 A 1 ATOM 33 O O . ALA A 1 5 ? -18.166 -8.107 11.212 1.00 91.61 5 A 1 ATOM 34 C CB . ALA A 1 5 ? -18.420 -11.213 10.226 1.00 91.80 5 A 1 ATOM 35 N N . ILE A 1 6 ? -18.646 -9.420 12.974 1.00 94.48 6 A 1 ATOM 36 C CA . ILE A 1 6 ? -19.285 -8.383 13.801 1.00 95.46 6 A 1 ATOM 37 C C . ILE A 1 6 ? -18.250 -7.370 14.321 1.00 95.62 6 A 1 ATOM 38 O O . ILE A 1 6 ? -18.511 -6.174 14.302 1.00 94.81 6 A 1 ATOM 39 C CB . ILE A 1 6 ? -20.064 -9.043 14.961 1.00 94.62 6 A 1 ATOM 40 C CG1 . ILE A 1 6 ? -21.181 -9.961 14.402 1.00 89.89 6 A 1 ATOM 41 C CG2 . ILE A 1 6 ? -20.660 -7.986 15.906 1.00 87.30 6 A 1 ATOM 42 C CD1 . ILE A 1 6 ? -21.875 -10.828 15.463 1.00 80.05 6 A 1 ATOM 43 N N . GLU A 1 7 ? -17.068 -7.827 14.757 1.00 93.32 7 A 1 ATOM 44 C CA . GLU A 1 7 ? -15.988 -6.953 15.235 1.00 93.55 7 A 1 ATOM 45 C C . GLU A 1 7 ? -15.409 -6.121 14.086 1.00 93.58 7 A 1 ATOM 46 O O . GLU A 1 7 ? -15.106 -4.945 14.261 1.00 93.09 7 A 1 ATOM 47 C CB . GLU A 1 7 ? -14.882 -7.798 15.881 1.00 92.69 7 A 1 ATOM 48 C CG . GLU A 1 7 ? -15.337 -8.493 17.170 1.00 87.75 7 A 1 ATOM 49 C CD . GLU A 1 7 ? -14.295 -9.509 17.650 1.00 84.65 7 A 1 ATOM 50 O OE1 . GLU A 1 7 ? -13.585 -9.212 18.629 1.00 76.22 7 A 1 ATOM 51 O OE2 . GLU A 1 7 ? -14.229 -10.606 17.037 1.00 78.33 7 A 1 ATOM 52 N N . LEU A 1 8 ? -15.309 -6.714 12.899 1.00 93.69 8 A 1 ATOM 53 C CA . LEU A 1 8 ? -14.853 -6.029 11.689 1.00 93.74 8 A 1 ATOM 54 C C . LEU A 1 8 ? -15.836 -4.924 11.265 1.00 94.13 8 A 1 ATOM 55 O O . LEU A 1 8 ? -15.419 -3.842 10.862 1.00 93.93 8 A 1 ATOM 56 C CB . LEU A 1 8 ? -14.640 -7.103 10.606 1.00 91.61 8 A 1 ATOM 57 C CG . LEU A 1 8 ? -13.410 -6.863 9.711 1.00 81.74 8 A 1 ATOM 58 C CD1 . LEU A 1 8 ? -13.032 -8.159 8.996 1.00 76.70 8 A 1 ATOM 59 C CD2 . LEU A 1 8 ? -13.653 -5.792 8.655 1.00 76.60 8 A 1 ATOM 60 N N . MET A 1 9 ? -17.140 -5.177 11.423 1.00 95.30 9 A 1 ATOM 61 C CA . MET A 1 9 ? -18.187 -4.176 11.188 1.00 95.80 9 A 1 ATOM 62 C C . MET A 1 9 ? -18.101 -3.025 12.207 1.00 96.44 9 A 1 ATOM 63 O O . MET A 1 9 ? -18.069 -1.872 11.797 1.00 95.85 9 A 1 ATOM 64 C CB . MET A 1 9 ? -19.552 -4.877 11.190 1.00 94.90 9 A 1 ATOM 65 C CG . MET A 1 9 ? -20.668 -3.954 10.700 1.00 82.62 9 A 1 ATOM 66 S SD . MET A 1 9 ? -22.259 -4.813 10.482 1.00 75.66 9 A 1 ATOM 67 C CE . MET A 1 9 ? -23.227 -3.404 9.874 1.00 66.10 9 A 1 ATOM 68 N N . ASP A 1 10 ? -17.948 -3.318 13.502 1.00 95.72 10 A 1 ATOM 69 C CA . ASP A 1 10 ? -17.800 -2.304 14.567 1.00 96.33 10 A 1 ATOM 70 C C . ASP A 1 10 ? -16.553 -1.423 14.368 1.00 96.50 10 A 1 ATOM 71 O O . ASP A 1 10 ? -16.594 -0.205 14.540 1.00 95.96 10 A 1 ATOM 72 C CB . ASP A 1 10 ? -17.745 -3.028 15.923 1.00 95.72 10 A 1 ATOM 73 C CG . ASP A 1 10 ? -17.882 -2.095 17.124 1.00 88.27 10 A 1 ATOM 74 O OD1 . ASP A 1 10 ? -16.853 -1.774 17.770 1.00 82.85 10 A 1 ATOM 75 O OD2 . ASP A 1 10 ? -19.032 -1.754 17.454 1.00 83.14 10 A 1 ATOM 76 N N . LEU A 1 11 ? -15.432 -2.027 13.949 1.00 95.35 11 A 1 ATOM 77 C CA . LEU A 1 11 ? -14.208 -1.296 13.612 1.00 95.48 11 A 1 ATOM 78 C C . LEU A 1 11 ? -14.381 -0.420 12.364 1.00 95.93 11 A 1 ATOM 79 O O . LEU A 1 11 ? -13.856 0.691 12.329 1.00 96.02 11 A 1 ATOM 80 C CB . LEU A 1 11 ? -13.054 -2.290 13.425 1.00 95.05 11 A 1 ATOM 81 C CG . LEU A 1 11 ? -12.553 -2.943 14.727 1.00 93.03 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? -11.562 -4.053 14.387 1.00 88.30 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? -11.847 -1.951 15.647 1.00 87.87 11 A 1 ATOM 84 N N . SER A 1 12 ? -15.136 -0.880 11.370 1.00 95.52 12 A 1 ATOM 85 C CA . SER A 1 12 ? -15.450 -0.083 10.178 1.00 95.53 12 A 1 ATOM 86 C C . SER A 1 12 ? -16.304 1.145 10.511 1.00 96.00 12 A 1 ATOM 87 O O . SER A 1 12 ? -16.009 2.237 10.031 1.00 95.99 12 A 1 ATOM 88 C CB . SER A 1 12 ? -16.160 -0.955 9.138 1.00 94.67 12 A 1 ATOM 89 O OG . SER A 1 12 ? -16.259 -0.269 7.903 1.00 81.74 12 A 1 ATOM 90 N N . ASP A 1 13 ? -17.318 0.999 11.377 1.00 96.92 13 A 1 ATOM 91 C CA . ASP A 1 13 ? -18.144 2.119 11.848 1.00 97.51 13 A 1 ATOM 92 C C . ASP A 1 13 ? -17.314 3.152 12.636 1.00 97.37 13 A 1 ATOM 93 O O . ASP A 1 13 ? -17.462 4.363 12.456 1.00 96.80 13 A 1 ATOM 94 C CB . ASP A 1 13 ? -19.293 1.577 12.723 1.00 97.34 13 A 1 ATOM 95 C CG . ASP A 1 13 ? -20.447 0.983 11.906 1.00 93.36 13 A 1 ATOM 96 O OD1 . ASP A 1 13 ? -21.062 1.757 11.137 1.00 88.47 13 A 1 ATOM 97 O OD2 . ASP A 1 13 ? -20.767 -0.208 12.098 1.00 89.91 13 A 1 ATOM 98 N N . LYS A 1 14 ? -16.381 2.680 13.487 1.00 96.25 14 A 1 ATOM 99 C CA . LYS A 1 14 ? -15.441 3.558 14.201 1.00 95.72 14 A 1 ATOM 100 C C . LYS A 1 14 ? -14.506 4.296 13.253 1.00 95.93 14 A 1 ATOM 101 O O . LYS A 1 14 ? -14.266 5.485 13.458 1.00 95.63 14 A 1 ATOM 102 C CB . LYS A 1 14 ? -14.626 2.740 15.203 1.00 94.82 14 A 1 ATOM 103 C CG . LYS A 1 14 ? -15.460 2.394 16.438 1.00 85.59 14 A 1 ATOM 104 C CD . LYS A 1 14 ? -14.713 1.378 17.292 1.00 83.97 14 A 1 ATOM 105 C CE . LYS A 1 14 ? -15.510 1.121 18.562 1.00 75.92 14 A 1 ATOM 106 N NZ . LYS A 1 14 ? -15.143 -0.175 19.167 1.00 69.83 14 A 1 ATOM 107 N N . LEU A 1 15 ? -13.995 3.623 12.227 1.00 95.47 15 A 1 ATOM 108 C CA . LEU A 1 15 ? -13.129 4.227 11.219 1.00 95.43 15 A 1 ATOM 109 C C . LEU A 1 15 ? -13.851 5.350 10.459 1.00 95.96 15 A 1 ATOM 110 O O . LEU A 1 15 ? -13.299 6.436 10.313 1.00 96.16 15 A 1 ATOM 111 C CB . LEU A 1 15 ? -12.638 3.118 10.268 1.00 94.31 15 A 1 ATOM 112 C CG . LEU A 1 15 ? -11.590 3.597 9.249 1.00 91.29 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? -10.252 3.897 9.923 1.00 85.87 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? -11.361 2.517 8.197 1.00 85.44 15 A 1 ATOM 115 N N . ASP A 1 16 ? -15.102 5.135 10.048 1.00 96.59 16 A 1 ATOM 116 C CA . ASP A 1 16 ? -15.921 6.149 9.369 1.00 97.04 16 A 1 ATOM 117 C C . ASP A 1 16 ? -16.168 7.376 10.265 1.00 96.88 16 A 1 ATOM 118 O O . ASP A 1 16 ? -15.992 8.526 9.846 1.00 96.53 16 A 1 ATOM 119 C CB . ASP A 1 16 ? -17.250 5.515 8.926 1.00 96.36 16 A 1 ATOM 120 C CG . ASP A 1 16 ? -18.039 6.454 8.010 1.00 85.34 16 A 1 ATOM 121 O OD1 . ASP A 1 16 ? -18.939 7.153 8.520 1.00 75.88 16 A 1 ATOM 122 O OD2 . ASP A 1 16 ? -17.720 6.475 6.801 1.00 77.19 16 A 1 ATOM 123 N N . ALA A 1 17 ? -16.480 7.139 11.555 1.00 96.93 17 A 1 ATOM 124 C CA . ALA A 1 17 ? -16.660 8.208 12.536 1.00 97.09 17 A 1 ATOM 125 C C . ALA A 1 17 ? -15.373 9.028 12.758 1.00 96.93 17 A 1 ATOM 126 O O . ALA A 1 17 ? -15.436 10.257 12.868 1.00 96.08 17 A 1 ATOM 127 C CB . ALA A 1 17 ? -17.166 7.584 13.842 1.00 97.00 17 A 1 ATOM 128 N N . LEU A 1 18 ? -14.207 8.376 12.811 1.00 96.04 18 A 1 ATOM 129 C CA . LEU A 1 18 ? -12.910 9.042 12.955 1.00 95.88 18 A 1 ATOM 130 C C . LEU A 1 18 ? -12.520 9.811 11.693 1.00 95.88 18 A 1 ATOM 131 O O . LEU A 1 18 ? -12.088 10.956 11.801 1.00 95.86 18 A 1 ATOM 132 C CB . LEU A 1 18 ? -11.834 8.012 13.318 1.00 95.95 18 A 1 ATOM 133 C CG . LEU A 1 18 ? -11.909 7.511 14.767 1.00 94.62 18 A 1 ATOM 134 C CD1 . LEU A 1 18 ? -10.935 6.356 14.931 1.00 89.68 18 A 1 ATOM 135 C CD2 . LEU A 1 18 ? -11.542 8.592 15.782 1.00 89.10 18 A 1 ATOM 136 N N . MET A 1 19 ? -12.745 9.264 10.503 1.00 95.64 19 A 1 ATOM 137 C CA . MET A 1 19 ? -12.505 9.982 9.244 1.00 95.23 19 A 1 ATOM 138 C C . MET A 1 19 ? -13.379 11.235 9.123 1.00 95.58 19 A 1 ATOM 139 O O . MET A 1 19 ? -12.898 12.291 8.714 1.00 95.01 19 A 1 ATOM 140 C CB . MET A 1 19 ? -12.736 9.053 8.044 1.00 93.49 19 A 1 ATOM 141 C CG . MET A 1 19 ? -11.591 8.048 7.876 1.00 86.30 19 A 1 ATOM 142 S SD . MET A 1 19 ? -11.309 7.525 6.168 1.00 78.58 19 A 1 ATOM 143 C CE . MET A 1 19 ? -12.815 6.572 5.854 1.00 66.98 19 A 1 ATOM 144 N N . SER A 1 20 ? -14.645 11.154 9.560 1.00 96.25 20 A 1 ATOM 145 C CA . SER A 1 20 ? -15.546 12.310 9.611 1.00 96.45 20 A 1 ATOM 146 C C . SER A 1 20 ? -15.041 13.401 10.570 1.00 96.23 20 A 1 ATOM 147 O O . SER A 1 20 ? -15.118 14.590 10.258 1.00 95.09 20 A 1 ATOM 148 C CB . SER A 1 20 ? -16.947 11.861 10.039 1.00 95.90 20 A 1 ATOM 149 O OG . SER A 1 20 ? -17.534 11.041 9.051 1.00 82.12 20 A 1 ATOM 150 N N . LYS A 1 21 ? -14.486 13.006 11.726 1.00 95.21 21 A 1 ATOM 151 C CA . LYS A 1 21 ? -13.854 13.941 12.672 1.00 94.67 21 A 1 ATOM 152 C C . LYS A 1 21 ? -12.548 14.517 12.127 1.00 94.76 21 A 1 ATOM 153 O O . LYS A 1 21 ? -12.346 15.727 12.229 1.00 94.45 21 A 1 ATOM 154 C CB . LYS A 1 21 ? -13.603 13.249 14.012 1.00 93.66 21 A 1 ATOM 155 C CG . LYS A 1 21 ? -14.890 13.039 14.817 1.00 85.96 21 A 1 ATOM 156 C CD . LYS A 1 21 ? -14.521 12.281 16.092 1.00 85.27 21 A 1 ATOM 157 C CE . LYS A 1 21 ? -15.744 12.027 16.965 1.00 77.79 21 A 1 ATOM 158 N NZ . LYS A 1 21 ? -15.328 11.308 18.192 1.00 71.08 21 A 1 ATOM 159 N N . ALA A 1 22 ? -11.704 13.703 11.501 1.00 94.92 22 A 1 ATOM 160 C CA . ALA A 1 22 ? -10.434 14.127 10.913 1.00 94.09 22 A 1 ATOM 161 C C . ALA A 1 22 ? -10.621 15.221 9.847 1.00 94.17 22 A 1 ATOM 162 O O . ALA A 1 22 ? -9.820 16.147 9.758 1.00 93.61 22 A 1 ATOM 163 C CB . ALA A 1 22 ? -9.736 12.899 10.314 1.00 93.84 22 A 1 ATOM 164 N N . ALA A 1 23 ? -11.727 15.175 9.093 1.00 94.30 23 A 1 ATOM 165 C CA . ALA A 1 23 ? -12.067 16.193 8.096 1.00 94.39 23 A 1 ATOM 166 C C . ALA A 1 23 ? -12.331 17.590 8.700 1.00 94.80 23 A 1 ATOM 167 O O . ALA A 1 23 ? -12.244 18.593 7.989 1.00 92.41 23 A 1 ATOM 168 C CB . ALA A 1 23 ? -13.288 15.697 7.313 1.00 93.27 23 A 1 ATOM 169 N N . THR A 1 24 ? -12.680 17.667 9.994 1.00 95.00 24 A 1 ATOM 170 C CA . THR A 1 24 ? -12.997 18.924 10.701 1.00 95.47 24 A 1 ATOM 171 C C . THR A 1 24 ? -11.977 19.295 11.782 1.00 95.65 24 A 1 ATOM 172 O O . THR A 1 24 ? -11.930 20.453 12.203 1.00 93.40 24 A 1 ATOM 173 C CB . THR A 1 24 ? -14.410 18.879 11.298 1.00 94.81 24 A 1 ATOM 174 O OG1 . THR A 1 24 ? -14.581 17.796 12.178 1.00 90.38 24 A 1 ATOM 175 C CG2 . THR A 1 24 ? -15.485 18.750 10.217 1.00 86.37 24 A 1 ATOM 176 N N . ALA A 1 25 ? -11.156 18.331 12.221 1.00 94.14 25 A 1 ATOM 177 C CA . ALA A 1 25 ? -10.141 18.504 13.247 1.00 94.27 25 A 1 ATOM 178 C C . ALA A 1 25 ? -8.899 19.237 12.707 1.00 93.61 25 A 1 ATOM 179 O O . ALA A 1 25 ? -8.589 19.207 11.517 1.00 91.73 25 A 1 ATOM 180 C CB . ALA A 1 25 ? -9.791 17.131 13.823 1.00 94.05 25 A 1 ATOM 181 N N . SER A 1 26 ? -8.164 19.901 13.595 1.00 92.81 26 A 1 ATOM 182 C CA . SER A 1 26 ? -6.945 20.632 13.240 1.00 92.99 26 A 1 ATOM 183 C C . SER A 1 26 ? -5.867 20.500 14.320 1.00 92.08 26 A 1 ATOM 184 O O . SER A 1 26 ? -6.165 20.384 15.506 1.00 88.02 26 A 1 ATOM 185 C CB . SER A 1 26 ? -7.269 22.113 12.997 1.00 90.31 26 A 1 ATOM 186 O OG . SER A 1 26 ? -8.036 22.263 11.818 1.00 81.28 26 A 1 ATOM 187 N N . GLY A 1 27 ? -4.610 20.557 13.918 1.00 92.19 27 A 1 ATOM 188 C CA . GLY A 1 27 ? -3.473 20.543 14.836 1.00 92.48 27 A 1 ATOM 189 C C . GLY A 1 27 ? -3.363 19.242 15.652 1.00 92.58 27 A 1 ATOM 190 O O . GLY A 1 27 ? -3.310 18.155 15.089 1.00 88.90 27 A 1 ATOM 191 N N . MET A 1 28 ? -3.320 19.374 16.983 1.00 95.06 28 A 1 ATOM 192 C CA . MET A 1 28 ? -3.101 18.249 17.903 1.00 95.36 28 A 1 ATOM 193 C C . MET A 1 28 ? -4.254 17.227 17.890 1.00 95.37 28 A 1 ATOM 194 O O . MET A 1 28 ? -4.000 16.040 18.035 1.00 93.47 28 A 1 ATOM 195 C CB . MET A 1 28 ? -2.873 18.825 19.312 1.00 93.81 28 A 1 ATOM 196 C CG . MET A 1 28 ? -2.376 17.785 20.326 1.00 83.62 28 A 1 ATOM 197 S SD . MET A 1 28 ? -1.906 18.513 21.932 1.00 74.45 28 A 1 ATOM 198 C CE . MET A 1 28 ? -0.288 19.215 21.513 1.00 65.04 28 A 1 ATOM 199 N N . GLU A 1 29 ? -5.492 17.678 17.657 1.00 93.92 29 A 1 ATOM 200 C CA . GLU A 1 29 ? -6.661 16.795 17.569 1.00 94.52 29 A 1 ATOM 201 C C . GLU A 1 29 ? -6.600 15.905 16.312 1.00 94.27 29 A 1 ATOM 202 O O . GLU A 1 29 ? -6.965 14.735 16.348 1.00 93.57 29 A 1 ATOM 203 C CB . GLU A 1 29 ? -7.918 17.677 17.571 1.00 93.79 29 A 1 ATOM 204 C CG . GLU A 1 29 ? -9.207 16.903 17.858 1.00 81.55 29 A 1 ATOM 205 C CD . GLU A 1 29 ? -10.399 17.864 18.001 1.00 76.96 29 A 1 ATOM 206 O OE1 . GLU A 1 29 ? -11.264 17.874 17.099 1.00 68.24 29 A 1 ATOM 207 O OE2 . GLU A 1 29 ? -10.424 18.610 19.011 1.00 70.70 29 A 1 ATOM 208 N N . LEU A 1 30 ? -6.070 16.429 15.207 1.00 94.02 30 A 1 ATOM 209 C CA . LEU A 1 30 ? -5.881 15.663 13.972 1.00 93.54 30 A 1 ATOM 210 C C . LEU A 1 30 ? -4.807 14.574 14.133 1.00 93.49 30 A 1 ATOM 211 O O . LEU A 1 30 ? -4.962 13.488 13.580 1.00 93.04 30 A 1 ATOM 212 C CB . LEU A 1 30 ? -5.574 16.652 12.835 1.00 91.63 30 A 1 ATOM 213 C CG . LEU A 1 30 ? -5.609 16.031 11.422 1.00 85.83 30 A 1 ATOM 214 C CD1 . LEU A 1 30 ? -6.044 17.083 10.406 1.00 80.87 30 A 1 ATOM 215 C CD2 . LEU A 1 30 ? -4.240 15.505 10.973 1.00 81.07 30 A 1 ATOM 216 N N . LEU A 1 31 ? -3.750 14.845 14.911 1.00 92.75 31 A 1 ATOM 217 C CA . LEU A 1 31 ? -2.729 13.842 15.235 1.00 92.88 31 A 1 ATOM 218 C C . LEU A 1 31 ? -3.325 12.694 16.060 1.00 93.62 31 A 1 ATOM 219 O O . LEU A 1 31 ? -3.154 11.544 15.678 1.00 92.89 31 A 1 ATOM 220 C CB . LEU A 1 31 ? -1.548 14.506 15.966 1.00 91.54 31 A 1 ATOM 221 C CG . LEU A 1 31 ? -0.659 15.376 15.058 1.00 82.48 31 A 1 ATOM 222 C CD1 . LEU A 1 31 ? 0.288 16.226 15.909 1.00 76.08 31 A 1 ATOM 223 C CD2 . LEU A 1 31 ? 0.205 14.528 14.120 1.00 76.84 31 A 1 ATOM 224 N N . ASP A 1 32 ? -4.084 13.009 17.115 1.00 95.34 32 A 1 ATOM 225 C CA . ASP A 1 32 ? -4.736 12.005 17.975 1.00 95.70 32 A 1 ATOM 226 C C . ASP A 1 32 ? -5.700 11.107 17.175 1.00 95.45 32 A 1 ATOM 227 O O . ASP A 1 32 ? -5.633 9.880 17.235 1.00 94.50 32 A 1 ATOM 228 C CB . ASP A 1 32 ? -5.467 12.762 19.097 1.00 95.37 32 A 1 ATOM 229 C CG . ASP A 1 32 ? -5.719 11.911 20.343 1.00 90.57 32 A 1 ATOM 230 O OD1 . ASP A 1 32 ? -6.877 11.503 20.551 1.00 84.68 32 A 1 ATOM 231 O OD2 . ASP A 1 32 ? -4.754 11.779 21.128 1.00 85.24 32 A 1 ATOM 232 N N . ILE A 1 33 ? -6.523 11.723 16.315 1.00 95.28 33 A 1 ATOM 233 C CA . ILE A 1 33 ? -7.436 10.991 15.423 1.00 95.10 33 A 1 ATOM 234 C C . ILE A 1 33 ? -6.659 10.132 14.414 1.00 94.79 33 A 1 ATOM 235 O O . ILE A 1 33 ? -7.076 9.017 14.104 1.00 94.87 33 A 1 ATOM 236 C CB . ILE A 1 33 ? -8.383 11.980 14.708 1.00 95.44 33 A 1 ATOM 237 C CG1 . ILE A 1 33 ? -9.345 12.653 15.718 1.00 94.58 33 A 1 ATOM 238 C CG2 . ILE A 1 33 ? -9.212 11.278 13.623 1.00 94.25 33 A 1 ATOM 239 C CD1 . ILE A 1 33 ? -10.041 13.898 15.158 1.00 91.31 33 A 1 ATOM 240 N N . SER A 1 34 ? -5.532 10.614 13.892 1.00 93.15 34 A 1 ATOM 241 C CA . SER A 1 34 ? -4.694 9.849 12.962 1.00 91.66 34 A 1 ATOM 242 C C . SER A 1 34 ? -4.089 8.611 13.627 1.00 91.56 34 A 1 ATOM 243 O O . SER A 1 34 ? -4.070 7.547 13.009 1.00 92.06 34 A 1 ATOM 244 C CB . SER A 1 34 ? -3.585 10.739 12.396 1.00 90.87 34 A 1 ATOM 245 O OG . SER A 1 34 ? -2.925 10.088 11.323 1.00 77.30 34 A 1 ATOM 246 N N . ASP A 1 35 ? -3.641 8.720 14.889 1.00 93.97 35 A 1 ATOM 247 C CA . ASP A 1 35 ? -3.146 7.590 15.682 1.00 94.27 35 A 1 ATOM 248 C C . ASP A 1 35 ? -4.255 6.557 15.958 1.00 94.08 35 A 1 ATOM 249 O O . ASP A 1 35 ? -4.028 5.346 15.859 1.00 93.26 35 A 1 ATOM 250 C CB . ASP A 1 35 ? -2.554 8.110 17.004 1.00 93.53 35 A 1 ATOM 251 C CG . ASP A 1 35 ? -1.086 8.535 16.870 1.00 87.63 35 A 1 ATOM 252 O OD1 . ASP A 1 35 ? -0.243 7.613 16.759 1.00 81.76 35 A 1 ATOM 253 O OD2 . ASP A 1 35 ? -0.795 9.747 16.941 1.00 82.50 35 A 1 ATOM 254 N N . GLU A 1 36 ? -5.485 7.006 16.256 1.00 94.20 36 A 1 ATOM 255 C CA . GLU A 1 36 ? -6.641 6.112 16.424 1.00 94.51 36 A 1 ATOM 256 C C . GLU A 1 36 ? -7.012 5.390 15.115 1.00 94.42 36 A 1 ATOM 257 O O . GLU A 1 36 ? -7.294 4.186 15.134 1.00 93.67 36 A 1 ATOM 258 C CB . GLU A 1 36 ? -7.860 6.882 16.961 1.00 94.72 36 A 1 ATOM 259 C CG . GLU A 1 36 ? -7.773 7.175 18.462 1.00 87.91 36 A 1 ATOM 260 C CD . GLU A 1 36 ? -9.102 7.726 18.995 1.00 85.85 36 A 1 ATOM 261 O OE1 . GLU A 1 36 ? -10.044 6.913 19.203 1.00 78.39 36 A 1 ATOM 262 O OE2 . GLU A 1 36 ? -9.210 8.951 19.184 1.00 79.38 36 A 1 ATOM 263 N N . ILE A 1 37 ? -6.978 6.085 13.982 1.00 94.30 37 A 1 ATOM 264 C CA . ILE A 1 37 ? -7.223 5.493 12.658 1.00 93.52 37 A 1 ATOM 265 C C . ILE A 1 37 ? -6.186 4.405 12.362 1.00 92.92 37 A 1 ATOM 266 O O . ILE A 1 37 ? -6.562 3.306 11.954 1.00 92.76 37 A 1 ATOM 267 C CB . ILE A 1 37 ? -7.247 6.588 11.560 1.00 93.19 37 A 1 ATOM 268 C CG1 . ILE A 1 37 ? -8.548 7.416 11.670 1.00 92.92 37 A 1 ATOM 269 C CG2 . ILE A 1 37 ? -7.128 5.993 10.145 1.00 92.34 37 A 1 ATOM 270 C CD1 . ILE A 1 37 ? -8.557 8.692 10.817 1.00 90.50 37 A 1 ATOM 271 N N . ASP A 1 38 ? -4.901 4.669 12.619 1.00 93.53 38 A 1 ATOM 272 C CA . ASP A 1 38 ? -3.826 3.696 12.390 1.00 92.83 38 A 1 ATOM 273 C C . ASP A 1 38 ? -4.008 2.440 13.259 1.00 92.46 38 A 1 ATOM 274 O O . ASP A 1 38 ? -3.959 1.315 12.759 1.00 91.65 38 A 1 ATOM 275 C CB . ASP A 1 38 ? -2.460 4.357 12.633 1.00 90.40 38 A 1 ATOM 276 C CG . ASP A 1 38 ? -1.337 3.516 12.015 1.00 81.29 38 A 1 ATOM 277 O OD1 . ASP A 1 38 ? -0.791 2.646 12.722 1.00 72.77 38 A 1 ATOM 278 O OD2 . ASP A 1 38 ? -1.053 3.725 10.814 1.00 72.09 38 A 1 ATOM 279 N N . GLN A 1 39 ? -4.360 2.610 14.549 1.00 93.92 39 A 1 ATOM 280 C CA . GLN A 1 39 ? -4.651 1.493 15.455 1.00 93.76 39 A 1 ATOM 281 C C . GLN A 1 39 ? -5.838 0.637 14.991 1.00 93.47 39 A 1 ATOM 282 O O . GLN A 1 39 ? -5.804 -0.594 15.113 1.00 92.76 39 A 1 ATOM 283 C CB . GLN A 1 39 ? -4.940 2.029 16.862 1.00 93.43 39 A 1 ATOM 284 C CG . GLN A 1 39 ? -3.664 2.475 17.585 1.00 84.44 39 A 1 ATOM 285 C CD . GLN A 1 39 ? -3.984 3.030 18.964 1.00 80.09 39 A 1 ATOM 286 O OE1 . GLN A 1 39 ? -4.694 2.428 19.764 1.00 75.22 39 A 1 ATOM 287 N NE2 . GLN A 1 39 ? -3.467 4.183 19.313 1.00 70.47 39 A 1 ATOM 288 N N . ILE A 1 40 ? -6.897 1.259 14.477 1.00 94.28 40 A 1 ATOM 289 C CA . ILE A 1 40 ? -8.058 0.530 13.949 1.00 94.14 40 A 1 ATOM 290 C C . ILE A 1 40 ? -7.684 -0.206 12.667 1.00 93.60 40 A 1 ATOM 291 O O . ILE A 1 40 ? -8.021 -1.381 12.519 1.00 92.91 40 A 1 ATOM 292 C CB . ILE A 1 40 ? -9.260 1.479 13.758 1.00 94.57 40 A 1 ATOM 293 C CG1 . ILE A 1 40 ? -9.782 1.900 15.150 1.00 93.32 40 A 1 ATOM 294 C CG2 . ILE A 1 40 ? -10.386 0.809 12.951 1.00 93.33 40 A 1 ATOM 295 C CD1 . ILE A 1 40 ? -10.820 3.015 15.098 1.00 89.25 40 A 1 ATOM 296 N N . MET A 1 41 ? -6.930 0.423 11.769 1.00 92.33 41 A 1 ATOM 297 C CA . MET A 1 41 ? -6.449 -0.222 10.546 1.00 91.02 41 A 1 ATOM 298 C C . MET A 1 41 ? -5.548 -1.425 10.853 1.00 90.55 41 A 1 ATOM 299 O O . MET A 1 41 ? -5.725 -2.485 10.257 1.00 90.23 41 A 1 ATOM 300 C CB . MET A 1 41 ? -5.729 0.791 9.653 1.00 89.18 41 A 1 ATOM 301 C CG . MET A 1 41 ? -6.705 1.769 8.993 1.00 82.84 41 A 1 ATOM 302 S SD . MET A 1 41 ? -6.086 2.542 7.479 1.00 77.61 41 A 1 ATOM 303 C CE . MET A 1 41 ? -4.716 3.528 8.137 1.00 65.73 41 A 1 ATOM 304 N N . GLN A 1 42 ? -4.652 -1.319 11.844 1.00 92.32 42 A 1 ATOM 305 C CA . GLN A 1 42 ? -3.837 -2.443 12.312 1.00 91.51 42 A 1 ATOM 306 C C . GLN A 1 42 ? -4.701 -3.584 12.871 1.00 91.23 42 A 1 ATOM 307 O O . GLN A 1 42 ? -4.466 -4.750 12.554 1.00 90.30 42 A 1 ATOM 308 C CB . GLN A 1 42 ? -2.847 -1.966 13.382 1.00 89.82 42 A 1 ATOM 309 C CG . GLN A 1 42 ? -1.690 -1.139 12.809 1.00 82.24 42 A 1 ATOM 310 C CD . GLN A 1 42 ? -0.697 -0.743 13.899 1.00 76.72 42 A 1 ATOM 311 O OE1 . GLN A 1 42 ? -0.437 -1.483 14.839 1.00 70.75 42 A 1 ATOM 312 N NE2 . GLN A 1 42 ? -0.082 0.409 13.816 1.00 66.33 42 A 1 ATOM 313 N N . GLN A 1 43 ? -5.736 -3.272 13.663 1.00 91.19 43 A 1 ATOM 314 C CA . GLN A 1 43 ? -6.675 -4.276 14.181 1.00 91.56 43 A 1 ATOM 315 C C . GLN A 1 43 ? -7.448 -4.972 13.057 1.00 91.00 43 A 1 ATOM 316 O O . GLN A 1 43 ? -7.625 -6.190 13.100 1.00 89.81 43 A 1 ATOM 317 C CB . GLN A 1 43 ? -7.644 -3.622 15.176 1.00 91.67 43 A 1 ATOM 318 C CG . GLN A 1 43 ? -6.976 -3.375 16.531 1.00 88.40 43 A 1 ATOM 319 C CD . GLN A 1 43 ? -7.892 -2.588 17.452 1.00 86.57 43 A 1 ATOM 320 O OE1 . GLN A 1 43 ? -8.908 -3.071 17.934 1.00 81.14 43 A 1 ATOM 321 N NE2 . GLN A 1 43 ? -7.562 -1.355 17.744 1.00 77.68 43 A 1 ATOM 322 N N . MET A 1 44 ? -7.849 -4.239 12.024 1.00 90.30 44 A 1 ATOM 323 C CA . MET A 1 44 ? -8.527 -4.779 10.838 1.00 90.01 44 A 1 ATOM 324 C C . MET A 1 44 ? -7.598 -5.601 9.927 1.00 88.43 44 A 1 ATOM 325 O O . MET A 1 44 ? -8.066 -6.240 8.989 1.00 84.77 44 A 1 ATOM 326 C CB . MET A 1 44 ? -9.183 -3.631 10.060 1.00 90.70 44 A 1 ATOM 327 C CG . MET A 1 44 ? -10.381 -3.030 10.808 1.00 90.12 44 A 1 ATOM 328 S SD . MET A 1 44 ? -11.187 -1.658 9.943 1.00 88.56 44 A 1 ATOM 329 C CE . MET A 1 44 ? -12.014 -2.544 8.601 1.00 81.24 44 A 1 ATOM 330 N N . GLY A 1 45 ? -6.289 -5.598 10.191 1.00 87.34 45 A 1 ATOM 331 C CA . GLY A 1 45 ? -5.283 -6.277 9.370 1.00 85.49 45 A 1 ATOM 332 C C . GLY A 1 45 ? -4.775 -5.442 8.191 1.00 84.81 45 A 1 ATOM 333 O O . GLY A 1 45 ? -3.916 -5.908 7.443 1.00 81.55 45 A 1 ATOM 334 N N . TYR A 1 46 ? -5.251 -4.202 8.049 1.00 82.32 46 A 1 ATOM 335 C CA . TYR A 1 46 ? -4.751 -3.227 7.083 1.00 80.77 46 A 1 ATOM 336 C C . TYR A 1 46 ? -3.534 -2.508 7.678 1.00 77.34 46 A 1 ATOM 337 O O . TYR A 1 46 ? -3.627 -1.391 8.153 1.00 70.28 46 A 1 ATOM 338 C CB . TYR A 1 46 ? -5.863 -2.247 6.690 1.00 79.34 46 A 1 ATOM 339 C CG . TYR A 1 46 ? -6.924 -2.812 5.766 1.00 78.70 46 A 1 ATOM 340 C CD1 . TYR A 1 46 ? -6.745 -2.745 4.372 1.00 74.53 46 A 1 ATOM 341 C CD2 . TYR A 1 46 ? -8.091 -3.393 6.298 1.00 72.61 46 A 1 ATOM 342 C CE1 . TYR A 1 46 ? -7.730 -3.247 3.508 1.00 71.20 46 A 1 ATOM 343 C CE2 . TYR A 1 46 ? -9.077 -3.907 5.437 1.00 71.00 46 A 1 ATOM 344 C CZ . TYR A 1 46 ? -8.901 -3.829 4.041 1.00 74.54 46 A 1 ATOM 345 O OH . TYR A 1 46 ? -9.862 -4.314 3.206 1.00 74.24 46 A 1 ATOM 346 N N . GLY A 1 47 ? -2.378 -3.162 7.697 1.00 59.80 47 A 1 ATOM 347 C CA . GLY A 1 47 ? -1.141 -2.645 8.294 1.00 56.72 47 A 1 ATOM 348 C C . GLY A 1 47 ? -0.213 -3.739 8.811 1.00 52.54 47 A 1 ATOM 349 O O . GLY A 1 47 ? 0.958 -3.489 9.063 1.00 48.51 47 A 1 ATOM 350 N N . ALA A 1 48 ? -0.692 -4.991 8.913 1.00 45.33 48 A 1 ATOM 351 C CA . ALA A 1 48 ? 0.108 -6.140 9.354 1.00 43.38 48 A 1 ATOM 352 C C . ALA A 1 48 ? 0.871 -6.853 8.215 1.00 41.09 48 A 1 ATOM 353 O O . ALA A 1 48 ? 1.365 -7.963 8.396 1.00 37.31 48 A 1 ATOM 354 C CB . ALA A 1 48 ? -0.787 -7.088 10.161 1.00 40.81 48 A 1 ATOM 355 N N . SER A 1 49 ? 1.002 -6.235 7.054 1.00 39.53 49 A 1 ATOM 356 C CA . SER A 1 49 ? 1.903 -6.684 5.983 1.00 39.02 49 A 1 ATOM 357 C C . SER A 1 49 ? 3.127 -5.773 5.913 1.00 37.91 49 A 1 ATOM 358 O O . SER A 1 49 ? 3.340 -5.054 4.943 1.00 34.63 49 A 1 ATOM 359 C CB . SER A 1 49 ? 1.172 -6.793 4.645 1.00 36.69 49 A 1 ATOM 360 O OG . SER A 1 49 ? 0.186 -7.800 4.723 1.00 32.78 49 A 1 ATOM 361 N N . GLY A 1 50 ? 3.906 -5.775 6.998 1.00 37.53 50 A 1 ATOM 362 C CA . GLY A 1 50 ? 5.124 -4.991 7.122 1.00 37.19 50 A 1 ATOM 363 C C . GLY A 1 50 ? 5.811 -5.295 8.444 1.00 36.85 50 A 1 ATOM 364 O O . GLY A 1 50 ? 5.683 -4.554 9.402 1.00 34.18 50 A 1 ATOM 365 N N . ASP A 1 51 ? 6.500 -6.423 8.492 1.00 36.25 51 A 1 ATOM 366 C CA . ASP A 1 51 ? 7.522 -6.766 9.479 1.00 36.18 51 A 1 ATOM 367 C C . ASP A 1 51 ? 8.362 -5.531 9.860 1.00 36.85 51 A 1 ATOM 368 O O . ASP A 1 51 ? 8.986 -4.915 8.986 1.00 34.07 51 A 1 ATOM 369 C CB . ASP A 1 51 ? 8.405 -7.841 8.816 1.00 33.56 51 A 1 ATOM 370 C CG . ASP A 1 51 ? 9.319 -8.575 9.781 1.00 29.91 51 A 1 ATOM 371 O OD1 . ASP A 1 51 ? 10.522 -8.237 9.813 1.00 26.06 51 A 1 ATOM 372 O OD2 . ASP A 1 51 ? 8.810 -9.506 10.440 1.00 25.15 51 A 1 ATOM 373 N N . GLY A 1 52 ? 8.365 -5.150 11.137 1.00 31.50 52 A 1 ATOM 374 C CA . GLY A 1 52 ? 9.251 -4.084 11.606 1.00 31.92 52 A 1 ATOM 375 C C . GLY A 1 52 ? 8.763 -3.356 12.846 1.00 32.37 52 A 1 ATOM 376 O O . GLY A 1 52 ? 8.126 -2.317 12.754 1.00 30.00 52 A 1 ATOM 377 N N . SER A 1 53 ? 9.153 -3.892 14.017 1.00 29.93 53 A 1 ATOM 378 C CA . SER A 1 53 ? 9.310 -3.163 15.277 1.00 31.01 53 A 1 ATOM 379 C C . SER A 1 53 ? 9.705 -1.698 15.078 1.00 32.40 53 A 1 ATOM 380 O O . SER A 1 53 ? 10.563 -1.388 14.256 1.00 30.51 53 A 1 ATOM 381 C CB . SER A 1 53 ? 10.440 -3.810 16.089 1.00 27.60 53 A 1 ATOM 382 O OG . SER A 1 53 ? 9.954 -4.864 16.882 1.00 23.95 53 A 1 ATOM 383 N N . GLY A 1 54 ? 9.128 -0.834 15.921 1.00 31.00 54 A 1 ATOM 384 C CA . GLY A 1 54 ? 9.496 0.564 16.040 1.00 32.42 54 A 1 ATOM 385 C C . GLY A 1 54 ? 11.003 0.774 16.073 1.00 33.05 54 A 1 ATOM 386 O O . GLY A 1 54 ? 11.685 0.377 17.010 1.00 30.61 54 A 1 ATOM 387 N N . GLU A 1 55 ? 11.477 1.441 15.048 1.00 27.61 55 A 1 ATOM 388 C CA . GLU A 1 55 ? 12.708 2.205 15.073 1.00 29.37 55 A 1 ATOM 389 C C . GLU A 1 55 ? 12.465 3.422 14.189 1.00 29.87 55 A 1 ATOM 390 O O . GLU A 1 55 ? 12.158 3.308 12.999 1.00 28.13 55 A 1 ATOM 391 C CB . GLU A 1 55 ? 13.917 1.362 14.636 1.00 27.45 55 A 1 ATOM 392 C CG . GLU A 1 55 ? 14.944 1.245 15.768 1.00 23.42 55 A 1 ATOM 393 C CD . GLU A 1 55 ? 16.051 0.238 15.456 1.00 21.01 55 A 1 ATOM 394 O OE1 . GLU A 1 55 ? 17.065 0.644 14.843 1.00 18.21 55 A 1 ATOM 395 O OE2 . GLU A 1 55 ? 15.888 -0.944 15.826 1.00 22.09 55 A 1 ATOM 396 N N . GLU A 1 56 ? 12.554 4.600 14.798 1.00 28.19 56 A 1 ATOM 397 C CA . GLU A 1 56 ? 12.654 5.876 14.114 1.00 29.16 56 A 1 ATOM 398 C C . GLU A 1 56 ? 13.718 5.767 13.013 1.00 29.82 56 A 1 ATOM 399 O O . GLU A 1 56 ? 14.918 5.876 13.259 1.00 27.89 56 A 1 ATOM 400 C CB . GLU A 1 56 ? 13.058 6.959 15.132 1.00 26.35 56 A 1 ATOM 401 C CG . GLU A 1 56 ? 11.987 7.267 16.184 1.00 22.52 56 A 1 ATOM 402 C CD . GLU A 1 56 ? 12.538 8.244 17.232 1.00 20.41 56 A 1 ATOM 403 O OE1 . GLU A 1 56 ? 12.408 9.471 17.020 1.00 17.35 56 A 1 ATOM 404 O OE2 . GLU A 1 56 ? 13.105 7.754 18.228 1.00 19.82 56 A 1 ATOM 405 N N . LYS A 1 57 ? 13.291 5.544 11.783 1.00 31.58 57 A 1 ATOM 406 C CA . LYS A 1 57 ? 14.113 5.794 10.605 1.00 32.94 57 A 1 ATOM 407 C C . LYS A 1 57 ? 13.566 7.026 9.920 1.00 33.81 57 A 1 ATOM 408 O O . LYS A 1 57 ? 12.624 6.971 9.138 1.00 32.02 57 A 1 ATOM 409 C CB . LYS A 1 57 ? 14.248 4.555 9.715 1.00 30.88 57 A 1 ATOM 410 C CG . LYS A 1 57 ? 15.313 3.634 10.317 1.00 27.41 57 A 1 ATOM 411 C CD . LYS A 1 57 ? 15.602 2.414 9.439 1.00 24.87 57 A 1 ATOM 412 C CE . LYS A 1 57 ? 16.659 1.564 10.152 1.00 21.88 57 A 1 ATOM 413 N NZ . LYS A 1 57 ? 16.846 0.254 9.490 1.00 21.26 57 A 1 ATOM 414 N N . GLN A 1 58 ? 14.220 8.128 10.269 1.00 32.16 58 A 1 ATOM 415 C CA . GLN A 1 58 ? 14.503 9.298 9.447 1.00 31.55 58 A 1 ATOM 416 C C . GLN A 1 58 ? 14.129 9.089 7.968 1.00 32.93 58 A 1 ATOM 417 O O . GLN A 1 58 ? 14.526 8.069 7.387 1.00 30.65 58 A 1 ATOM 418 C CB . GLN A 1 58 ? 16.019 9.551 9.555 1.00 27.97 58 A 1 ATOM 419 C CG . GLN A 1 58 ? 16.384 10.873 10.198 1.00 24.24 58 A 1 ATOM 420 C CD . GLN A 1 58 ? 17.874 10.989 10.457 1.00 21.49 58 A 1 ATOM 421 O OE1 . GLN A 1 58 ? 18.351 10.741 11.555 1.00 20.06 58 A 1 ATOM 422 N NE2 . GLN A 1 58 ? 18.662 11.379 9.486 1.00 20.14 58 A 1 ATOM 423 N N . PRO A 1 59 ? 13.406 10.047 7.352 1.00 30.00 59 A 1 ATOM 424 C CA . PRO A 1 59 ? 13.149 9.983 5.925 1.00 30.44 59 A 1 ATOM 425 C C . PRO A 1 59 ? 14.501 9.973 5.210 1.00 31.05 59 A 1 ATOM 426 O O . PRO A 1 59 ? 15.223 10.968 5.205 1.00 29.47 59 A 1 ATOM 427 C CB . PRO A 1 59 ? 12.291 11.210 5.598 1.00 27.47 59 A 1 ATOM 428 C CG . PRO A 1 59 ? 12.648 12.210 6.697 1.00 27.30 59 A 1 ATOM 429 C CD . PRO A 1 59 ? 12.973 11.321 7.896 1.00 28.60 59 A 1 ATOM 430 N N . SER A 1 60 ? 14.871 8.821 4.657 1.00 35.60 60 A 1 ATOM 431 C CA . SER A 1 60 ? 15.956 8.783 3.693 1.00 36.85 60 A 1 ATOM 432 C C . SER A 1 60 ? 15.495 9.626 2.514 1.00 37.59 60 A 1 ATOM 433 O O . SER A 1 60 ? 14.534 9.268 1.831 1.00 35.47 60 A 1 ATOM 434 C CB . SER A 1 60 ? 16.275 7.350 3.276 1.00 34.31 60 A 1 ATOM 435 O OG . SER A 1 60 ? 16.753 6.627 4.399 1.00 30.29 60 A 1 ATOM 436 N N . GLU A 1 61 ? 16.147 10.769 2.343 1.00 32.45 61 A 1 ATOM 437 C CA . GLU A 1 61 ? 16.053 11.626 1.175 1.00 32.54 61 A 1 ATOM 438 C C . GLU A 1 61 ? 16.299 10.781 -0.078 1.00 34.09 61 A 1 ATOM 439 O O . GLU A 1 61 ? 17.433 10.588 -0.509 1.00 31.36 61 A 1 ATOM 440 C CB . GLU A 1 61 ? 17.113 12.745 1.282 1.00 28.68 61 A 1 ATOM 441 C CG . GLU A 1 61 ? 16.780 13.818 2.326 1.00 24.52 61 A 1 ATOM 442 C CD . GLU A 1 61 ? 17.969 14.771 2.514 1.00 21.88 61 A 1 ATOM 443 O OE1 . GLU A 1 61 ? 18.068 15.759 1.753 1.00 19.15 61 A 1 ATOM 444 O OE2 . GLU A 1 61 ? 18.776 14.503 3.430 1.00 21.24 61 A 1 ATOM 445 N N . HIS A 1 62 ? 15.230 10.261 -0.658 1.00 42.79 62 A 1 ATOM 446 C CA . HIS A 1 62 ? 15.226 9.837 -2.041 1.00 43.47 62 A 1 ATOM 447 C C . HIS A 1 62 ? 14.453 10.919 -2.788 1.00 45.25 62 A 1 ATOM 448 O O . HIS A 1 62 ? 13.233 10.903 -2.791 1.00 41.97 62 A 1 ATOM 449 C CB . HIS A 1 62 ? 14.652 8.413 -2.187 1.00 39.90 62 A 1 ATOM 450 C CG . HIS A 1 62 ? 15.434 7.592 -3.180 1.00 36.58 62 A 1 ATOM 451 N ND1 . HIS A 1 62 ? 15.404 7.722 -4.546 1.00 33.00 62 A 1 ATOM 452 C CD2 . HIS A 1 62 ? 16.341 6.611 -2.888 1.00 31.18 62 A 1 ATOM 453 C CE1 . HIS A 1 62 ? 16.273 6.842 -5.064 1.00 30.25 62 A 1 ATOM 454 N NE2 . HIS A 1 62 ? 16.870 6.137 -4.094 1.00 29.30 62 A 1 ATOM 455 N N . ASP A 1 63 ? 15.170 11.896 -3.296 1.00 55.44 63 A 1 ATOM 456 C CA . ASP A 1 63 ? 14.865 12.879 -4.355 1.00 60.09 63 A 1 ATOM 457 C C . ASP A 1 63 ? 13.375 13.072 -4.757 1.00 64.50 63 A 1 ATOM 458 O O . ASP A 1 63 ? 13.023 13.029 -5.932 1.00 61.17 63 A 1 ATOM 459 C CB . ASP A 1 63 ? 15.780 12.547 -5.555 1.00 54.85 63 A 1 ATOM 460 C CG . ASP A 1 63 ? 16.384 13.810 -6.170 1.00 47.60 63 A 1 ATOM 461 O OD1 . ASP A 1 63 ? 15.840 14.282 -7.185 1.00 42.44 63 A 1 ATOM 462 O OD2 . ASP A 1 63 ? 17.408 14.276 -5.615 1.00 40.59 63 A 1 ATOM 463 N N . GLY A 1 64 ? 12.458 13.204 -3.806 1.00 70.94 64 A 1 ATOM 464 C CA . GLY A 1 64 ? 11.028 13.388 -4.064 1.00 76.90 64 A 1 ATOM 465 C C . GLY A 1 64 ? 10.308 12.226 -4.765 1.00 82.61 64 A 1 ATOM 466 O O . GLY A 1 64 ? 9.086 12.283 -4.885 1.00 78.80 64 A 1 ATOM 467 N N . VAL A 1 65 ? 11.008 11.183 -5.213 1.00 82.76 65 A 1 ATOM 468 C CA . VAL A 1 65 ? 10.434 10.047 -5.948 1.00 87.87 65 A 1 ATOM 469 C C . VAL A 1 65 ? 9.898 8.999 -4.959 1.00 89.41 65 A 1 ATOM 470 O O . VAL A 1 65 ? 10.641 8.538 -4.095 1.00 87.69 65 A 1 ATOM 471 C CB . VAL A 1 65 ? 11.459 9.430 -6.917 1.00 85.70 65 A 1 ATOM 472 C CG1 . VAL A 1 65 ? 10.832 8.298 -7.741 1.00 80.67 65 A 1 ATOM 473 C CG2 . VAL A 1 65 ? 11.991 10.471 -7.910 1.00 82.01 65 A 1 ATOM 474 N N . PRO A 1 66 ? 8.623 8.581 -5.071 1.00 90.54 66 A 1 ATOM 475 C CA . PRO A 1 66 ? 8.063 7.527 -4.233 1.00 91.35 66 A 1 ATOM 476 C C . PRO A 1 66 ? 8.877 6.234 -4.317 1.00 92.52 66 A 1 ATOM 477 O O . PRO A 1 66 ? 9.242 5.788 -5.402 1.00 91.71 66 A 1 ATOM 478 C CB . PRO A 1 66 ? 6.628 7.320 -4.729 1.00 89.31 66 A 1 ATOM 479 C CG . PRO A 1 66 ? 6.279 8.672 -5.340 1.00 87.44 66 A 1 ATOM 480 C CD . PRO A 1 66 ? 7.604 9.134 -5.932 1.00 89.64 66 A 1 ATOM 481 N N . LYS A 1 67 ? 9.101 5.571 -3.171 1.00 90.98 67 A 1 ATOM 482 C CA . LYS A 1 67 ? 9.884 4.329 -3.087 1.00 91.55 67 A 1 ATOM 483 C C . LYS A 1 67 ? 9.391 3.251 -4.057 1.00 92.68 67 A 1 ATOM 484 O O . LYS A 1 67 ? 10.208 2.553 -4.645 1.00 92.68 67 A 1 ATOM 485 C CB . LYS A 1 67 ? 9.859 3.823 -1.637 1.00 89.13 67 A 1 ATOM 486 C CG . LYS A 1 67 ? 10.780 2.613 -1.431 1.00 79.47 67 A 1 ATOM 487 C CD . LYS A 1 67 ? 10.773 2.145 0.027 1.00 75.82 67 A 1 ATOM 488 C CE . LYS A 1 67 ? 11.654 0.911 0.226 1.00 67.84 67 A 1 ATOM 489 N NZ . LYS A 1 67 ? 11.156 -0.257 -0.556 1.00 58.39 67 A 1 ATOM 490 N N . LEU A 1 68 ? 8.075 3.147 -4.261 1.00 92.21 68 A 1 ATOM 491 C CA . LEU A 1 68 ? 7.478 2.217 -5.223 1.00 94.32 68 A 1 ATOM 492 C C . LEU A 1 68 ? 7.984 2.460 -6.655 1.00 95.46 68 A 1 ATOM 493 O O . LEU A 1 68 ? 8.328 1.514 -7.355 1.00 95.21 68 A 1 ATOM 494 C CB . LEU A 1 68 ? 5.950 2.369 -5.154 1.00 94.65 68 A 1 ATOM 495 C CG . LEU A 1 68 ? 5.184 1.361 -6.032 1.00 93.14 68 A 1 ATOM 496 C CD1 . LEU A 1 68 ? 5.272 -0.054 -5.461 1.00 89.74 68 A 1 ATOM 497 C CD2 . LEU A 1 68 ? 3.713 1.769 -6.096 1.00 90.35 68 A 1 ATOM 498 N N . VAL A 1 69 ? 8.073 3.724 -7.070 1.00 94.22 69 A 1 ATOM 499 C CA . VAL A 1 69 ? 8.578 4.114 -8.395 1.00 94.84 69 A 1 ATOM 500 C C . VAL A 1 69 ? 10.070 3.803 -8.516 1.00 95.33 69 A 1 ATOM 501 O O . VAL A 1 69 ? 10.493 3.218 -9.507 1.00 95.60 69 A 1 ATOM 502 C CB . VAL A 1 69 ? 8.315 5.610 -8.662 1.00 94.61 69 A 1 ATOM 503 C CG1 . VAL A 1 69 ? 8.900 6.079 -9.997 1.00 92.14 69 A 1 ATOM 504 C CG2 . VAL A 1 69 ? 6.814 5.914 -8.673 1.00 92.36 69 A 1 ATOM 505 N N . ALA A 1 70 ? 10.856 4.136 -7.490 1.00 94.45 70 A 1 ATOM 506 C CA . ALA A 1 70 ? 12.287 3.842 -7.470 1.00 94.12 70 A 1 ATOM 507 C C . ALA A 1 70 ? 12.568 2.328 -7.525 1.00 94.30 70 A 1 ATOM 508 O O . ALA A 1 70 ? 13.429 1.878 -8.279 1.00 93.67 70 A 1 ATOM 509 C CB . ALA A 1 70 ? 12.890 4.479 -6.211 1.00 93.03 70 A 1 ATOM 510 N N . ASP A 1 71 ? 11.815 1.532 -6.764 1.00 94.46 71 A 1 ATOM 511 C CA . ASP A 1 71 ? 11.945 0.074 -6.742 1.00 94.87 71 A 1 ATOM 512 C C . ASP A 1 71 ? 11.493 -0.561 -8.070 1.00 95.30 71 A 1 ATOM 513 O O . ASP A 1 71 ? 12.113 -1.522 -8.524 1.00 94.83 71 A 1 ATOM 514 C CB . ASP A 1 71 ? 11.165 -0.486 -5.534 1.00 94.24 71 A 1 ATOM 515 C CG . ASP A 1 71 ? 11.839 -0.260 -4.164 1.00 92.57 71 A 1 ATOM 516 O OD1 . ASP A 1 71 ? 13.069 -0.021 -4.085 1.00 88.98 71 A 1 ATOM 517 O OD2 . ASP A 1 71 ? 11.180 -0.439 -3.113 1.00 88.83 71 A 1 ATOM 518 N N . PHE A 1 72 ? 10.468 0.003 -8.731 1.00 95.78 72 A 1 ATOM 519 C CA . PHE A 1 72 ? 10.021 -0.436 -10.058 1.00 95.97 72 A 1 ATOM 520 C C . PHE A 1 72 ? 11.066 -0.153 -11.144 1.00 96.09 72 A 1 ATOM 521 O O . PHE A 1 72 ? 11.404 -1.044 -11.918 1.00 95.78 72 A 1 ATOM 522 C CB . PHE A 1 72 ? 8.688 0.234 -10.395 1.00 96.44 72 A 1 ATOM 523 C CG . PHE A 1 72 ? 8.071 -0.259 -11.690 1.00 96.79 72 A 1 ATOM 524 C CD1 . PHE A 1 72 ? 8.258 0.459 -12.885 1.00 94.76 72 A 1 ATOM 525 C CD2 . PHE A 1 72 ? 7.314 -1.446 -11.700 1.00 94.83 72 A 1 ATOM 526 C CE1 . PHE A 1 72 ? 7.679 -0.002 -14.081 1.00 94.78 72 A 1 ATOM 527 C CE2 . PHE A 1 72 ? 6.735 -1.904 -12.896 1.00 94.90 72 A 1 ATOM 528 C CZ . PHE A 1 72 ? 6.915 -1.180 -14.085 1.00 96.27 72 A 1 ATOM 529 N N . LEU A 1 73 ? 11.627 1.055 -11.157 1.00 95.27 73 A 1 ATOM 530 C CA . LEU A 1 73 ? 12.703 1.429 -12.086 1.00 94.79 73 A 1 ATOM 531 C C . LEU A 1 73 ? 14.002 0.642 -11.847 1.00 94.49 73 A 1 ATOM 532 O O . LEU A 1 73 ? 14.823 0.524 -12.749 1.00 93.70 73 A 1 ATOM 533 C CB . LEU A 1 73 ? 12.974 2.937 -11.954 1.00 94.56 73 A 1 ATOM 534 C CG . LEU A 1 73 ? 11.852 3.847 -12.490 1.00 93.35 73 A 1 ATOM 535 C CD1 . LEU A 1 73 ? 12.187 5.302 -12.160 1.00 90.19 73 A 1 ATOM 536 C CD2 . LEU A 1 73 ? 11.687 3.728 -14.003 1.00 90.12 73 A 1 ATOM 537 N N . ALA A 1 74 ? 14.184 0.102 -10.647 1.00 94.44 74 A 1 ATOM 538 C CA . ALA A 1 74 ? 15.307 -0.768 -10.304 1.00 94.12 74 A 1 ATOM 539 C C . ALA A 1 74 ? 15.047 -2.257 -10.616 1.00 93.68 74 A 1 ATOM 540 O O . ALA A 1 74 ? 15.810 -3.105 -10.155 1.00 91.50 74 A 1 ATOM 541 C CB . ALA A 1 74 ? 15.663 -0.527 -8.832 1.00 93.82 74 A 1 ATOM 542 N N . ASP A 1 75 ? 13.964 -2.576 -11.330 1.00 94.66 75 A 1 ATOM 543 C CA . ASP A 1 75 ? 13.566 -3.944 -11.701 1.00 94.71 75 A 1 ATOM 544 C C . ASP A 1 75 ? 13.417 -4.911 -10.506 1.00 94.87 75 A 1 ATOM 545 O O . ASP A 1 75 ? 13.507 -6.129 -10.649 1.00 92.62 75 A 1 ATOM 546 C CB . ASP A 1 75 ? 14.466 -4.488 -12.828 1.00 93.38 75 A 1 ATOM 547 C CG . ASP A 1 75 ? 14.236 -3.759 -14.151 1.00 90.99 75 A 1 ATOM 548 O OD1 . ASP A 1 75 ? 13.112 -3.877 -14.688 1.00 85.24 75 A 1 ATOM 549 O OD2 . ASP A 1 75 ? 15.169 -3.085 -14.635 1.00 85.23 75 A 1 ATOM 550 N N . LYS A 1 76 ? 13.132 -4.393 -9.298 1.00 94.04 76 A 1 ATOM 551 C CA . LYS A 1 76 ? 12.977 -5.231 -8.095 1.00 94.14 76 A 1 ATOM 552 C C . LYS A 1 76 ? 11.750 -6.145 -8.132 1.00 94.43 76 A 1 ATOM 553 O O . LYS A 1 76 ? 11.640 -7.050 -7.309 1.00 93.38 76 A 1 ATOM 554 C CB . LYS A 1 76 ? 12.924 -4.357 -6.845 1.00 93.79 76 A 1 ATOM 555 C CG . LYS A 1 76 ? 14.283 -3.721 -6.553 1.00 91.23 76 A 1 ATOM 556 C CD . LYS A 1 76 ? 14.198 -3.005 -5.213 1.00 85.99 76 A 1 ATOM 557 C CE . LYS A 1 76 ? 15.493 -2.276 -4.904 1.00 81.63 76 A 1 ATOM 558 N NZ . LYS A 1 76 ? 15.289 -1.390 -3.737 1.00 72.12 76 A 1 ATOM 559 N N . PHE A 1 77 ? 10.839 -5.905 -9.062 1.00 95.67 77 A 1 ATOM 560 C CA . PHE A 1 77 ? 9.592 -6.652 -9.205 1.00 95.47 77 A 1 ATOM 561 C C . PHE A 1 77 ? 9.635 -7.700 -10.328 1.00 95.16 77 A 1 ATOM 562 O O . PHE A 1 77 ? 8.636 -8.371 -10.564 1.00 93.53 77 A 1 ATOM 563 C CB . PHE A 1 77 ? 8.447 -5.650 -9.363 1.00 95.49 77 A 1 ATOM 564 C CG . PHE A 1 77 ? 8.348 -4.649 -8.221 1.00 96.06 77 A 1 ATOM 565 C CD1 . PHE A 1 77 ? 8.098 -5.093 -6.912 1.00 93.39 77 A 1 ATOM 566 C CD2 . PHE A 1 77 ? 8.517 -3.278 -8.464 1.00 94.03 77 A 1 ATOM 567 C CE1 . PHE A 1 77 ? 7.996 -4.172 -5.855 1.00 93.33 77 A 1 ATOM 568 C CE2 . PHE A 1 77 ? 8.413 -2.356 -7.407 1.00 93.86 77 A 1 ATOM 569 C CZ . PHE A 1 77 ? 8.148 -2.805 -6.103 1.00 94.77 77 A 1 ATOM 570 N N . VAL A 1 78 ? 10.782 -7.875 -10.997 1.00 94.24 78 A 1 ATOM 571 C CA . VAL A 1 78 ? 10.937 -8.810 -12.129 1.00 93.89 78 A 1 ATOM 572 C C . VAL A 1 78 ? 10.660 -10.267 -11.728 1.00 94.13 78 A 1 ATOM 573 O O . VAL A 1 78 ? 10.103 -11.014 -12.521 1.00 93.08 78 A 1 ATOM 574 C CB . VAL A 1 78 ? 12.330 -8.652 -12.771 1.00 92.14 78 A 1 ATOM 575 C CG1 . VAL A 1 78 ? 12.672 -9.741 -13.795 1.00 81.02 78 A 1 ATOM 576 C CG2 . VAL A 1 78 ? 12.410 -7.315 -13.513 1.00 81.78 78 A 1 ATOM 577 N N . ASP A 1 79 ? 10.945 -10.661 -10.483 1.00 92.18 79 A 1 ATOM 578 C CA . ASP A 1 79 ? 10.708 -12.028 -9.990 1.00 92.04 79 A 1 ATOM 579 C C . ASP A 1 79 ? 9.328 -12.216 -9.315 1.00 92.30 79 A 1 ATOM 580 O O . ASP A 1 79 ? 9.056 -13.256 -8.714 1.00 90.61 79 A 1 ATOM 581 C CB . ASP A 1 79 ? 11.856 -12.428 -9.055 1.00 90.19 79 A 1 ATOM 582 C CG . ASP A 1 79 ? 13.203 -12.468 -9.779 1.00 83.48 79 A 1 ATOM 583 O OD1 . ASP A 1 79 ? 13.420 -13.441 -10.539 1.00 75.10 79 A 1 ATOM 584 O OD2 . ASP A 1 79 ? 14.020 -11.552 -9.542 1.00 74.23 79 A 1 ATOM 585 N N . GLN A 1 80 ? 8.441 -11.209 -9.373 1.00 93.25 80 A 1 ATOM 586 C CA . GLN A 1 80 ? 7.110 -11.312 -8.769 1.00 93.17 80 A 1 ATOM 587 C C . GLN A 1 80 ? 6.170 -12.220 -9.571 1.00 93.53 80 A 1 ATOM 588 O O . GLN A 1 80 ? 6.265 -12.347 -10.792 1.00 93.06 80 A 1 ATOM 589 C CB . GLN A 1 80 ? 6.471 -9.931 -8.573 1.00 92.13 80 A 1 ATOM 590 C CG . GLN A 1 80 ? 7.121 -9.157 -7.416 1.00 87.68 80 A 1 ATOM 591 C CD . GLN A 1 80 ? 6.350 -7.890 -7.067 1.00 87.95 80 A 1 ATOM 592 O OE1 . GLN A 1 80 ? 5.584 -7.340 -7.840 1.00 82.95 80 A 1 ATOM 593 N NE2 . GLN A 1 80 ? 6.499 -7.374 -5.866 1.00 80.90 80 A 1 ATOM 594 N N . SER A 1 81 ? 5.184 -12.808 -8.869 1.00 92.76 81 A 1 ATOM 595 C CA . SER A 1 81 ? 4.069 -13.501 -9.518 1.00 93.15 81 A 1 ATOM 596 C C . SER A 1 81 ? 3.216 -12.524 -10.334 1.00 93.45 81 A 1 ATOM 597 O O . SER A 1 81 ? 3.176 -11.328 -10.044 1.00 93.21 81 A 1 ATOM 598 C CB . SER A 1 81 ? 3.204 -14.229 -8.483 1.00 92.41 81 A 1 ATOM 599 O OG . SER A 1 81 ? 2.562 -13.316 -7.617 1.00 87.89 81 A 1 ATOM 600 N N . THR A 1 82 ? 2.476 -13.037 -11.319 1.00 94.11 82 A 1 ATOM 601 C CA . THR A 1 82 ? 1.596 -12.231 -12.181 1.00 94.32 82 A 1 ATOM 602 C C . THR A 1 82 ? 0.618 -11.371 -11.377 1.00 95.08 82 A 1 ATOM 603 O O . THR A 1 82 ? 0.501 -10.177 -11.640 1.00 95.28 82 A 1 ATOM 604 C CB . THR A 1 82 ? 0.811 -13.145 -13.136 1.00 92.95 82 A 1 ATOM 605 O OG1 . THR A 1 82 ? 1.706 -14.005 -13.809 1.00 87.90 82 A 1 ATOM 606 C CG2 . THR A 1 82 ? 0.043 -12.369 -14.201 1.00 86.59 82 A 1 ATOM 607 N N . ASP A 1 83 ? -0.040 -11.939 -10.355 1.00 93.07 83 A 1 ATOM 608 C CA . ASP A 1 83 ? -0.993 -11.205 -9.514 1.00 93.84 83 A 1 ATOM 609 C C . ASP A 1 83 ? -0.323 -10.076 -8.721 1.00 94.37 83 A 1 ATOM 610 O O . ASP A 1 83 ? -0.833 -8.957 -8.673 1.00 94.81 83 A 1 ATOM 611 C CB . ASP A 1 83 ? -1.676 -12.185 -8.555 1.00 93.08 83 A 1 ATOM 612 C CG . ASP A 1 83 ? -2.532 -13.199 -9.312 1.00 82.47 83 A 1 ATOM 613 O OD1 . ASP A 1 83 ? -3.663 -12.829 -9.695 1.00 73.07 83 A 1 ATOM 614 O OD2 . ASP A 1 83 ? -2.027 -14.324 -9.538 1.00 73.40 83 A 1 ATOM 615 N N . ALA A 1 84 ? 0.856 -10.341 -8.137 1.00 95.59 84 A 1 ATOM 616 C CA . ALA A 1 84 ? 1.610 -9.340 -7.389 1.00 95.55 84 A 1 ATOM 617 C C . ALA A 1 84 ? 2.113 -8.212 -8.303 1.00 95.92 84 A 1 ATOM 618 O O . ALA A 1 84 ? 2.032 -7.035 -7.942 1.00 95.65 84 A 1 ATOM 619 C CB . ALA A 1 84 ? 2.768 -10.036 -6.665 1.00 94.91 84 A 1 ATOM 620 N N . PHE A 1 85 ? 2.572 -8.548 -9.512 1.00 95.80 85 A 1 ATOM 621 C CA . PHE A 1 85 ? 3.022 -7.566 -10.494 1.00 96.13 85 A 1 ATOM 622 C C . PHE A 1 85 ? 1.870 -6.687 -11.008 1.00 96.69 85 A 1 ATOM 623 O O . PHE A 1 85 ? 2.031 -5.475 -11.131 1.00 96.80 85 A 1 ATOM 624 C CB . PHE A 1 85 ? 3.734 -8.293 -11.636 1.00 95.94 85 A 1 ATOM 625 C CG . PHE A 1 85 ? 4.422 -7.342 -12.590 1.00 96.34 85 A 1 ATOM 626 C CD1 . PHE A 1 85 ? 3.858 -7.063 -13.847 1.00 94.41 85 A 1 ATOM 627 C CD2 . PHE A 1 85 ? 5.615 -6.706 -12.201 1.00 94.85 85 A 1 ATOM 628 C CE1 . PHE A 1 85 ? 4.490 -6.156 -14.714 1.00 94.75 85 A 1 ATOM 629 C CE2 . PHE A 1 85 ? 6.245 -5.796 -13.066 1.00 94.68 85 A 1 ATOM 630 C CZ . PHE A 1 85 ? 5.681 -5.521 -14.324 1.00 95.85 85 A 1 ATOM 631 N N . ILE A 1 86 ? 0.677 -7.262 -11.241 1.00 96.72 86 A 1 ATOM 632 C CA . ILE A 1 86 ? -0.528 -6.494 -11.592 1.00 96.56 86 A 1 ATOM 633 C C . ILE A 1 86 ? -0.887 -5.513 -10.468 1.00 96.71 86 A 1 ATOM 634 O O . ILE A 1 86 ? -1.146 -4.346 -10.753 1.00 96.83 86 A 1 ATOM 635 C CB . ILE A 1 86 ? -1.706 -7.438 -11.930 1.00 95.91 86 A 1 ATOM 636 C CG1 . ILE A 1 86 ? -1.438 -8.159 -13.269 1.00 93.90 86 A 1 ATOM 637 C CG2 . ILE A 1 86 ? -3.040 -6.667 -12.016 1.00 93.26 86 A 1 ATOM 638 C CD1 . ILE A 1 86 ? -2.379 -9.339 -13.536 1.00 85.44 86 A 1 ATOM 639 N N . GLY A 1 87 ? -0.856 -5.952 -9.207 1.00 96.04 87 A 1 ATOM 640 C CA . GLY A 1 87 ? -1.054 -5.070 -8.052 1.00 95.78 87 A 1 ATOM 641 C C . GLY A 1 87 ? -0.057 -3.908 -8.042 1.00 95.98 87 A 1 ATOM 642 O O . GLY A 1 87 ? -0.456 -2.748 -7.980 1.00 95.46 87 A 1 ATOM 643 N N . THR A 1 88 ? 1.231 -4.199 -8.247 1.00 96.95 88 A 1 ATOM 644 C CA . THR A 1 88 ? 2.286 -3.177 -8.340 1.00 96.96 88 A 1 ATOM 645 C C . THR A 1 88 ? 2.014 -2.165 -9.462 1.00 97.22 88 A 1 ATOM 646 O O . THR A 1 88 ? 2.182 -0.964 -9.260 1.00 96.92 88 A 1 ATOM 647 C CB . THR A 1 88 ? 3.657 -3.835 -8.557 1.00 96.72 88 A 1 ATOM 648 O OG1 . THR A 1 88 ? 3.940 -4.739 -7.510 1.00 94.68 88 A 1 ATOM 649 C CG2 . THR A 1 88 ? 4.804 -2.826 -8.573 1.00 94.79 88 A 1 ATOM 650 N N . LEU A 1 89 ? 1.553 -2.608 -10.639 1.00 96.97 89 A 1 ATOM 651 C CA . LEU A 1 89 ? 1.188 -1.709 -11.742 1.00 97.03 89 A 1 ATOM 652 C C . LEU A 1 89 ? -0.026 -0.831 -11.406 1.00 96.89 89 A 1 ATOM 653 O O . LEU A 1 89 ? -0.067 0.333 -11.806 1.00 96.61 89 A 1 ATOM 654 C CB . LEU A 1 89 ? 0.904 -2.521 -13.013 1.00 96.92 89 A 1 ATOM 655 C CG . LEU A 1 89 ? 2.136 -3.163 -13.677 1.00 96.07 89 A 1 ATOM 656 C CD1 . LEU A 1 89 ? 1.663 -3.995 -14.870 1.00 93.01 89 A 1 ATOM 657 C CD2 . LEU A 1 89 ? 3.131 -2.124 -14.188 1.00 92.81 89 A 1 ATOM 658 N N . GLN A 1 90 ? -1.013 -1.365 -10.675 1.00 96.07 90 A 1 ATOM 659 C CA . GLN A 1 90 ? -2.168 -0.594 -10.206 1.00 95.80 90 A 1 ATOM 660 C C . GLN A 1 90 ? -1.732 0.517 -9.246 1.00 95.51 90 A 1 ATOM 661 O O . GLN A 1 90 ? -2.109 1.672 -9.450 1.00 95.03 90 A 1 ATOM 662 C CB . GLN A 1 90 ? -3.199 -1.514 -9.539 1.00 95.60 90 A 1 ATOM 663 C CG . GLN A 1 90 ? -3.933 -2.382 -10.572 1.00 88.03 90 A 1 ATOM 664 C CD . GLN A 1 90 ? -4.947 -3.322 -9.921 1.00 81.63 90 A 1 ATOM 665 O OE1 . GLN A 1 90 ? -4.787 -3.855 -8.840 1.00 75.87 90 A 1 ATOM 666 N NE2 . GLN A 1 90 ? -6.068 -3.566 -10.565 1.00 73.73 90 A 1 ATOM 667 N N . ASP A 1 91 ? -0.877 0.199 -8.275 1.00 95.48 91 A 1 ATOM 668 C CA . ASP A 1 91 ? -0.329 1.180 -7.338 1.00 95.31 91 A 1 ATOM 669 C C . ASP A 1 91 ? 0.562 2.218 -8.043 1.00 95.29 91 A 1 ATOM 670 O O . ASP A 1 91 ? 0.538 3.400 -7.701 1.00 94.23 91 A 1 ATOM 671 C CB . ASP A 1 91 ? 0.467 0.448 -6.248 1.00 95.00 91 A 1 ATOM 672 C CG . ASP A 1 91 ? -0.429 -0.383 -5.332 1.00 91.86 91 A 1 ATOM 673 O OD1 . ASP A 1 91 ? -1.433 0.185 -4.846 1.00 86.75 91 A 1 ATOM 674 O OD2 . ASP A 1 91 ? -0.094 -1.563 -5.111 1.00 86.21 91 A 1 ATOM 675 N N . LEU A 1 92 ? 1.316 1.811 -9.073 1.00 96.08 92 A 1 ATOM 676 C CA . LEU A 1 92 ? 2.132 2.714 -9.893 1.00 96.27 92 A 1 ATOM 677 C C . LEU A 1 92 ? 1.310 3.691 -10.736 1.00 96.41 92 A 1 ATOM 678 O O . LEU A 1 92 ? 1.795 4.784 -11.035 1.00 95.76 92 A 1 ATOM 679 C CB . LEU A 1 92 ? 3.047 1.880 -10.798 1.00 95.99 92 A 1 ATOM 680 C CG . LEU A 1 92 ? 4.455 1.746 -10.197 1.00 94.29 92 A 1 ATOM 681 C CD1 . LEU A 1 92 ? 5.029 0.370 -10.475 1.00 89.35 92 A 1 ATOM 682 C CD2 . LEU A 1 92 ? 5.391 2.786 -10.806 1.00 89.41 92 A 1 ATOM 683 N N . SER A 1 93 ? 0.073 3.329 -11.111 1.00 96.02 93 A 1 ATOM 684 C CA . SER A 1 93 ? -0.750 4.134 -12.020 1.00 95.49 93 A 1 ATOM 685 C C . SER A 1 93 ? -0.973 5.570 -11.531 1.00 95.03 93 A 1 ATOM 686 O O . SER A 1 93 ? -1.015 6.491 -12.342 1.00 94.21 93 A 1 ATOM 687 C CB . SER A 1 93 ? -2.088 3.439 -12.281 1.00 94.66 93 A 1 ATOM 688 O OG . SER A 1 93 ? -2.960 3.493 -11.173 1.00 83.24 93 A 1 ATOM 689 N N . GLN A 1 94 ? -1.022 5.776 -10.202 1.00 94.42 94 A 1 ATOM 690 C CA . GLN A 1 94 ? -1.178 7.100 -9.587 1.00 93.23 94 A 1 ATOM 691 C C . GLN A 1 94 ? 0.054 8.005 -9.762 1.00 93.03 94 A 1 ATOM 692 O O . GLN A 1 94 ? -0.058 9.224 -9.651 1.00 90.94 94 A 1 ATOM 693 C CB . GLN A 1 94 ? -1.544 6.914 -8.104 1.00 91.57 94 A 1 ATOM 694 C CG . GLN A 1 94 ? -0.366 6.434 -7.238 1.00 85.50 94 A 1 ATOM 695 C CD . GLN A 1 94 ? -0.802 6.031 -5.838 1.00 81.12 94 A 1 ATOM 696 O OE1 . GLN A 1 94 ? -1.333 6.821 -5.077 1.00 74.74 94 A 1 ATOM 697 N NE2 . GLN A 1 94 ? -0.594 4.796 -5.440 1.00 70.92 94 A 1 ATOM 698 N N . TYR A 1 95 ? 1.220 7.422 -10.035 1.00 93.82 95 A 1 ATOM 699 C CA . TYR A 1 95 ? 2.485 8.147 -10.195 1.00 94.09 95 A 1 ATOM 700 C C . TYR A 1 95 ? 2.863 8.386 -11.660 1.00 94.63 95 A 1 ATOM 701 O O . TYR A 1 95 ? 3.790 9.153 -11.936 1.00 93.55 95 A 1 ATOM 702 C CB . TYR A 1 95 ? 3.592 7.389 -9.456 1.00 93.97 95 A 1 ATOM 703 C CG . TYR A 1 95 ? 3.310 7.140 -7.985 1.00 93.25 95 A 1 ATOM 704 C CD1 . TYR A 1 95 ? 3.157 8.224 -7.098 1.00 88.57 95 A 1 ATOM 705 C CD2 . TYR A 1 95 ? 3.190 5.822 -7.505 1.00 89.23 95 A 1 ATOM 706 C CE1 . TYR A 1 95 ? 2.883 7.996 -5.738 1.00 87.72 95 A 1 ATOM 707 C CE2 . TYR A 1 95 ? 2.917 5.586 -6.143 1.00 88.28 95 A 1 ATOM 708 C CZ . TYR A 1 95 ? 2.763 6.673 -5.258 1.00 90.26 95 A 1 ATOM 709 O OH . TYR A 1 95 ? 2.492 6.449 -3.945 1.00 88.08 95 A 1 ATOM 710 N N . VAL A 1 96 ? 2.147 7.764 -12.609 1.00 94.57 96 A 1 ATOM 711 C CA . VAL A 1 96 ? 2.394 7.910 -14.047 1.00 94.70 96 A 1 ATOM 712 C C . VAL A 1 96 ? 2.125 9.353 -14.487 1.00 94.06 96 A 1 ATOM 713 O O . VAL A 1 96 ? 1.078 9.923 -14.203 1.00 92.59 96 A 1 ATOM 714 C CB . VAL A 1 96 ? 1.571 6.902 -14.871 1.00 94.78 96 A 1 ATOM 715 C CG1 . VAL A 1 96 ? 1.823 7.062 -16.375 1.00 92.45 96 A 1 ATOM 716 C CG2 . VAL A 1 96 ? 1.940 5.459 -14.505 1.00 91.73 96 A 1 ATOM 717 N N . GLY A 1 97 ? 3.089 9.946 -15.184 1.00 93.53 97 A 1 ATOM 718 C CA . GLY A 1 97 ? 3.050 11.339 -15.633 1.00 92.60 97 A 1 ATOM 719 C C . GLY A 1 97 ? 3.555 12.362 -14.608 1.00 92.37 97 A 1 ATOM 720 O O . GLY A 1 97 ? 3.708 13.530 -14.960 1.00 88.93 97 A 1 ATOM 721 N N . ILE A 1 98 ? 3.838 11.935 -13.353 1.00 92.61 98 A 1 ATOM 722 C CA . ILE A 1 98 ? 4.378 12.809 -12.299 1.00 91.84 98 A 1 ATOM 723 C C . ILE A 1 98 ? 5.827 12.418 -11.976 1.00 92.36 98 A 1 ATOM 724 O O . ILE A 1 98 ? 6.717 13.260 -12.015 1.00 90.63 98 A 1 ATOM 725 C CB . ILE A 1 98 ? 3.479 12.787 -11.036 1.00 90.36 98 A 1 ATOM 726 C CG1 . ILE A 1 98 ? 2.011 13.151 -11.380 1.00 85.27 98 A 1 ATOM 727 C CG2 . ILE A 1 98 ? 4.036 13.759 -9.973 1.00 84.08 98 A 1 ATOM 728 C CD1 . ILE A 1 98 ? 1.036 13.039 -10.199 1.00 78.44 98 A 1 ATOM 729 N N . TYR A 1 99 ? 6.046 11.135 -11.663 1.00 92.35 99 A 1 ATOM 730 C CA . TYR A 1 99 ? 7.344 10.601 -11.230 1.00 92.93 99 A 1 ATOM 731 C C . TYR A 1 99 ? 7.901 9.522 -12.165 1.00 93.64 99 A 1 ATOM 732 O O . TYR A 1 99 ? 9.096 9.232 -12.119 1.00 91.95 99 A 1 ATOM 733 C CB . TYR A 1 99 ? 7.200 10.040 -9.815 1.00 92.30 99 A 1 ATOM 734 C CG . TYR A 1 99 ? 6.821 11.069 -8.769 1.00 91.69 99 A 1 ATOM 735 C CD1 . TYR A 1 99 ? 7.784 11.992 -8.315 1.00 87.11 99 A 1 ATOM 736 C CD2 . TYR A 1 99 ? 5.512 11.106 -8.249 1.00 88.06 99 A 1 ATOM 737 C CE1 . TYR A 1 99 ? 7.441 12.944 -7.340 1.00 86.14 99 A 1 ATOM 738 C CE2 . TYR A 1 99 ? 5.165 12.058 -7.271 1.00 86.58 99 A 1 ATOM 739 C CZ . TYR A 1 99 ? 6.132 12.976 -6.815 1.00 88.35 99 A 1 ATOM 740 O OH . TYR A 1 99 ? 5.803 13.895 -5.864 1.00 85.86 99 A 1 ATOM 741 N N . ILE A 1 100 ? 7.061 8.916 -12.999 1.00 94.70 100 A 1 ATOM 742 C CA . ILE A 1 100 ? 7.442 7.885 -13.964 1.00 95.54 100 A 1 ATOM 743 C C . ILE A 1 100 ? 6.725 8.134 -15.289 1.00 95.47 100 A 1 ATOM 744 O O . ILE A 1 100 ? 5.563 8.535 -15.319 1.00 94.79 100 A 1 ATOM 745 C CB . ILE A 1 100 ? 7.182 6.479 -13.380 1.00 95.93 100 A 1 ATOM 746 C CG1 . ILE A 1 100 ? 7.796 5.392 -14.285 1.00 94.55 100 A 1 ATOM 747 C CG2 . ILE A 1 100 ? 5.687 6.206 -13.112 1.00 93.99 100 A 1 ATOM 748 C CD1 . ILE A 1 100 ? 7.830 4.007 -13.643 1.00 93.46 100 A 1 ATOM 749 N N . ASP A 1 101 ? 7.420 7.899 -16.396 1.00 94.94 101 A 1 ATOM 750 C CA . ASP A 1 101 ? 6.822 8.019 -17.722 1.00 95.40 101 A 1 ATOM 751 C C . ASP A 1 101 ? 6.125 6.711 -18.139 1.00 96.04 101 A 1 ATOM 752 O O . ASP A 1 101 ? 6.530 5.609 -17.748 1.00 95.33 101 A 1 ATOM 753 C CB . ASP A 1 101 ? 7.885 8.453 -18.739 1.00 93.38 101 A 1 ATOM 754 C CG . ASP A 1 101 ? 7.207 9.063 -19.963 1.00 83.87 101 A 1 ATOM 755 O OD1 . ASP A 1 101 ? 6.787 8.259 -20.827 1.00 74.94 101 A 1 ATOM 756 O OD2 . ASP A 1 101 ? 7.046 10.305 -19.970 1.00 74.05 101 A 1 ATOM 757 N N . LEU A 1 102 ? 5.085 6.807 -18.963 1.00 95.47 102 A 1 ATOM 758 C CA . LEU A 1 102 ? 4.368 5.637 -19.475 1.00 95.96 102 A 1 ATOM 759 C C . LEU A 1 102 ? 5.286 4.713 -20.296 1.00 96.46 102 A 1 ATOM 760 O O . LEU A 1 102 ? 5.106 3.493 -20.280 1.00 96.19 102 A 1 ATOM 761 C CB . LEU A 1 102 ? 3.173 6.127 -20.312 1.00 95.04 102 A 1 ATOM 762 C CG . LEU A 1 102 ? 2.266 4.995 -20.832 1.00 86.55 102 A 1 ATOM 763 C CD1 . LEU A 1 102 ? 1.566 4.244 -19.696 1.00 81.71 102 A 1 ATOM 764 C CD2 . LEU A 1 102 ? 1.190 5.577 -21.748 1.00 82.76 102 A 1 ATOM 765 N N . ASP A 1 103 ? 6.268 5.270 -20.994 1.00 96.36 103 A 1 ATOM 766 C CA . ASP A 1 103 ? 7.225 4.472 -21.764 1.00 96.84 103 A 1 ATOM 767 C C . ASP A 1 103 ? 8.197 3.706 -20.858 1.00 96.97 103 A 1 ATOM 768 O O . ASP A 1 103 ? 8.547 2.567 -21.172 1.00 96.53 103 A 1 ATOM 769 C CB . ASP A 1 103 ? 7.951 5.363 -22.782 1.00 96.53 103 A 1 ATOM 770 C CG . ASP A 1 103 ? 7.013 5.754 -23.934 1.00 89.35 103 A 1 ATOM 771 O OD1 . ASP A 1 103 ? 6.411 4.825 -24.547 1.00 80.03 103 A 1 ATOM 772 O OD2 . ASP A 1 103 ? 6.852 6.956 -24.197 1.00 80.82 103 A 1 ATOM 773 N N . GLN A 1 104 ? 8.555 4.252 -19.692 1.00 97.15 104 A 1 ATOM 774 C CA . GLN A 1 104 ? 9.328 3.528 -18.679 1.00 96.96 104 A 1 ATOM 775 C C . GLN A 1 104 ? 8.512 2.362 -18.112 1.00 97.03 104 A 1 ATOM 776 O O . GLN A 1 104 ? 8.998 1.231 -18.089 1.00 96.60 104 A 1 ATOM 777 C CB . GLN A 1 104 ? 9.766 4.479 -17.554 1.00 96.64 104 A 1 ATOM 778 C CG . GLN A 1 104 ? 10.725 5.572 -18.051 1.00 94.68 104 A 1 ATOM 779 C CD . GLN A 1 104 ? 11.108 6.517 -16.916 1.00 93.09 104 A 1 ATOM 780 O OE1 . GLN A 1 104 ? 10.285 7.204 -16.334 1.00 88.86 104 A 1 ATOM 781 N NE2 . GLN A 1 104 ? 12.363 6.587 -16.551 1.00 86.09 104 A 1 ATOM 782 N N . VAL A 1 105 ? 7.238 2.593 -17.769 1.00 96.87 105 A 1 ATOM 783 C CA . VAL A 1 105 ? 6.343 1.519 -17.297 1.00 97.02 105 A 1 ATOM 784 C C . VAL A 1 105 ? 6.254 0.387 -18.326 1.00 97.33 105 A 1 ATOM 785 O O . VAL A 1 105 ? 6.383 -0.785 -17.972 1.00 97.28 105 A 1 ATOM 786 C CB . VAL A 1 105 ? 4.940 2.061 -16.961 1.00 96.96 105 A 1 ATOM 787 C CG1 . VAL A 1 105 ? 3.981 0.948 -16.513 1.00 95.72 105 A 1 ATOM 788 C CG2 . VAL A 1 105 ? 4.992 3.093 -15.829 1.00 95.49 105 A 1 ATOM 789 N N . LYS A 1 106 ? 6.095 0.709 -19.611 1.00 96.46 106 A 1 ATOM 790 C CA . LYS A 1 106 ? 6.064 -0.297 -20.684 1.00 96.28 106 A 1 ATOM 791 C C . LYS A 1 106 ? 7.374 -1.081 -20.793 1.00 96.10 106 A 1 ATOM 792 O O . LYS A 1 106 ? 7.321 -2.296 -20.968 1.00 96.37 106 A 1 ATOM 793 C CB . LYS A 1 106 ? 5.784 0.371 -22.033 1.00 96.07 106 A 1 ATOM 794 C CG . LYS A 1 106 ? 4.339 0.863 -22.192 1.00 91.13 106 A 1 ATOM 795 C CD . LYS A 1 106 ? 4.292 1.681 -23.485 1.00 87.40 106 A 1 ATOM 796 C CE . LYS A 1 106 ? 2.994 2.454 -23.648 1.00 80.43 106 A 1 ATOM 797 N NZ . LYS A 1 106 ? 3.215 3.535 -24.642 1.00 73.05 106 A 1 ATOM 798 N N . GLN A 1 107 ? 8.525 -0.416 -20.702 1.00 96.95 107 A 1 ATOM 799 C CA . GLN A 1 107 ? 9.835 -1.070 -20.797 1.00 96.60 107 A 1 ATOM 800 C C . GLN A 1 107 ? 10.047 -2.077 -19.664 1.00 96.26 107 A 1 ATOM 801 O O . GLN A 1 107 ? 10.347 -3.242 -19.933 1.00 95.78 107 A 1 ATOM 802 C CB . GLN A 1 107 ? 10.955 -0.021 -20.797 1.00 96.12 107 A 1 ATOM 803 C CG . GLN A 1 107 ? 11.061 0.706 -22.148 1.00 84.33 107 A 1 ATOM 804 C CD . GLN A 1 107 ? 12.097 1.827 -22.136 1.00 80.44 107 A 1 ATOM 805 O OE1 . GLN A 1 107 ? 12.975 1.922 -21.295 1.00 74.59 107 A 1 ATOM 806 N NE2 . GLN A 1 107 ? 12.059 2.724 -23.099 1.00 70.45 107 A 1 ATOM 807 N N . HIS A 1 108 ? 9.808 -1.667 -18.415 1.00 96.84 108 A 1 ATOM 808 C CA . HIS A 1 108 ? 9.969 -2.554 -17.259 1.00 96.65 108 A 1 ATOM 809 C C . HIS A 1 108 ? 8.912 -3.672 -17.230 1.00 96.74 108 A 1 ATOM 810 O O . HIS A 1 108 ? 9.210 -4.811 -16.875 1.00 96.32 108 A 1 ATOM 811 C CB . HIS A 1 108 ? 9.962 -1.709 -15.980 1.00 96.79 108 A 1 ATOM 812 C CG . HIS A 1 108 ? 11.213 -0.873 -15.845 1.00 96.49 108 A 1 ATOM 813 N ND1 . HIS A 1 108 ? 12.453 -1.349 -15.488 1.00 88.48 108 A 1 ATOM 814 C CD2 . HIS A 1 108 ? 11.348 0.469 -16.080 1.00 89.30 108 A 1 ATOM 815 C CE1 . HIS A 1 108 ? 13.312 -0.315 -15.517 1.00 89.95 108 A 1 ATOM 816 N NE2 . HIS A 1 108 ? 12.687 0.816 -15.871 1.00 91.71 108 A 1 ATOM 817 N N . THR A 1 109 ? 7.687 -3.400 -17.711 1.00 96.34 109 A 1 ATOM 818 C CA . THR A 1 109 ? 6.665 -4.445 -17.897 1.00 96.37 109 A 1 ATOM 819 C C . THR A 1 109 ? 7.093 -5.461 -18.959 1.00 96.25 109 A 1 ATOM 820 O O . THR A 1 109 ? 6.934 -6.662 -18.764 1.00 95.94 109 A 1 ATOM 821 C CB . THR A 1 109 ? 5.307 -3.842 -18.282 1.00 96.33 109 A 1 ATOM 822 O OG1 . THR A 1 109 ? 4.881 -2.915 -17.312 1.00 94.34 109 A 1 ATOM 823 C CG2 . THR A 1 109 ? 4.201 -4.892 -18.385 1.00 93.47 109 A 1 ATOM 824 N N . ALA A 1 110 ? 7.671 -5.014 -20.072 1.00 95.43 110 A 1 ATOM 825 C CA . ALA A 1 110 ? 8.195 -5.908 -21.104 1.00 94.96 110 A 1 ATOM 826 C C . ALA A 1 110 ? 9.365 -6.764 -20.590 1.00 94.45 110 A 1 ATOM 827 O O . ALA A 1 110 ? 9.431 -7.953 -20.907 1.00 93.74 110 A 1 ATOM 828 C CB . ALA A 1 110 ? 8.596 -5.078 -22.330 1.00 94.65 110 A 1 ATOM 829 N N . ALA A 1 111 ? 10.233 -6.200 -19.753 1.00 95.08 111 A 1 ATOM 830 C CA . ALA A 1 111 ? 11.305 -6.943 -19.086 1.00 94.27 111 A 1 ATOM 831 C C . ALA A 1 111 ? 10.745 -8.032 -18.154 1.00 94.53 111 A 1 ATOM 832 O O . ALA A 1 111 ? 11.179 -9.184 -18.219 1.00 93.92 111 A 1 ATOM 833 C CB . ALA A 1 111 ? 12.198 -5.951 -18.331 1.00 93.83 111 A 1 ATOM 834 N N . TRP A 1 112 ? 9.705 -7.712 -17.368 1.00 95.16 112 A 1 ATOM 835 C CA . TRP A 1 112 ? 9.009 -8.691 -16.532 1.00 95.29 112 A 1 ATOM 836 C C . TRP A 1 112 ? 8.369 -9.813 -17.367 1.00 95.35 112 A 1 ATOM 837 O O . TRP A 1 112 ? 8.527 -10.992 -17.047 1.00 95.45 112 A 1 ATOM 838 C CB . TRP A 1 112 ? 7.967 -7.980 -15.662 1.00 95.57 112 A 1 ATOM 839 C CG . TRP A 1 112 ? 7.244 -8.899 -14.719 1.00 95.18 112 A 1 ATOM 840 C CD1 . TRP A 1 112 ? 7.638 -9.204 -13.464 1.00 93.62 112 A 1 ATOM 841 C CD2 . TRP A 1 112 ? 6.070 -9.727 -14.983 1.00 95.28 112 A 1 ATOM 842 N NE1 . TRP A 1 112 ? 6.804 -10.169 -12.937 1.00 93.71 112 A 1 ATOM 843 C CE2 . TRP A 1 112 ? 5.837 -10.549 -13.844 1.00 94.80 112 A 1 ATOM 844 C CE3 . TRP A 1 112 ? 5.208 -9.894 -16.087 1.00 94.08 112 A 1 ATOM 845 C CZ2 . TRP A 1 112 ? 4.827 -11.523 -13.817 1.00 93.04 112 A 1 ATOM 846 C CZ3 . TRP A 1 112 ? 4.180 -10.860 -16.067 1.00 92.36 112 A 1 ATOM 847 C CH2 . TRP A 1 112 ? 4.000 -11.682 -14.943 1.00 92.08 112 A 1 ATOM 848 N N . ILE A 1 113 ? 7.695 -9.468 -18.475 1.00 95.02 113 A 1 ATOM 849 C CA . ILE A 1 113 ? 7.092 -10.449 -19.390 1.00 94.44 113 A 1 ATOM 850 C C . ILE A 1 113 ? 8.166 -11.379 -19.959 1.00 94.18 113 A 1 ATOM 851 O O . ILE A 1 113 ? 7.993 -12.593 -19.943 1.00 94.09 113 A 1 ATOM 852 C CB . ILE A 1 113 ? 6.295 -9.740 -20.514 1.00 94.10 113 A 1 ATOM 853 C CG1 . ILE A 1 113 ? 5.018 -9.090 -19.932 1.00 92.71 113 A 1 ATOM 854 C CG2 . ILE A 1 113 ? 5.902 -10.714 -21.646 1.00 92.25 113 A 1 ATOM 855 C CD1 . ILE A 1 113 ? 4.316 -8.119 -20.892 1.00 86.46 113 A 1 ATOM 856 N N . ALA A 1 114 ? 9.283 -10.836 -20.422 1.00 93.64 114 A 1 ATOM 857 C CA . ALA A 1 114 ? 10.379 -11.627 -20.980 1.00 92.58 114 A 1 ATOM 858 C C . ALA A 1 114 ? 11.007 -12.588 -19.952 1.00 91.92 114 A 1 ATOM 859 O O . ALA A 1 114 ? 11.447 -13.680 -20.319 1.00 90.80 114 A 1 ATOM 860 C CB . ALA A 1 114 ? 11.422 -10.657 -21.547 1.00 91.91 114 A 1 ATOM 861 N N . ALA A 1 115 ? 11.029 -12.202 -18.669 1.00 93.63 115 A 1 ATOM 862 C CA . ALA A 1 115 ? 11.563 -13.032 -17.594 1.00 92.44 115 A 1 ATOM 863 C C . ALA A 1 115 ? 10.583 -14.131 -17.134 1.00 92.14 115 A 1 ATOM 864 O O . ALA A 1 115 ? 11.006 -15.252 -16.846 1.00 90.52 115 A 1 ATOM 865 C CB . ALA A 1 115 ? 11.958 -12.107 -16.438 1.00 91.81 115 A 1 ATOM 866 N N . ASN A 1 116 ? 9.277 -13.830 -17.087 1.00 92.03 116 A 1 ATOM 867 C CA . ASN A 1 116 ? 8.275 -14.695 -16.447 1.00 91.15 116 A 1 ATOM 868 C C . ASN A 1 116 ? 7.365 -15.450 -17.427 1.00 89.51 116 A 1 ATOM 869 O O . ASN A 1 116 ? 6.863 -16.529 -17.107 1.00 85.82 116 A 1 ATOM 870 C CB . ASN A 1 116 ? 7.453 -13.844 -15.470 1.00 91.06 116 A 1 ATOM 871 C CG . ASN A 1 116 ? 8.275 -13.451 -14.261 1.00 90.17 116 A 1 ATOM 872 O OD1 . ASN A 1 116 ? 8.367 -14.205 -13.304 1.00 80.87 116 A 1 ATOM 873 N ND2 . ASN A 1 116 ? 8.910 -12.308 -14.280 1.00 82.22 116 A 1 ATOM 874 N N . ILE A 1 117 ? 7.137 -14.905 -18.617 1.00 88.70 117 A 1 ATOM 875 C CA . ILE A 1 117 ? 6.301 -15.518 -19.647 1.00 85.44 117 A 1 ATOM 876 C C . ILE A 1 117 ? 7.227 -16.076 -20.726 1.00 81.73 117 A 1 ATOM 877 O O . ILE A 1 117 ? 7.607 -15.394 -21.674 1.00 75.84 117 A 1 ATOM 878 C CB . ILE A 1 117 ? 5.223 -14.546 -20.183 1.00 82.08 117 A 1 ATOM 879 C CG1 . ILE A 1 117 ? 4.419 -13.941 -19.000 1.00 74.87 117 A 1 ATOM 880 C CG2 . ILE A 1 117 ? 4.297 -15.293 -21.164 1.00 72.31 117 A 1 ATOM 881 C CD1 . ILE A 1 117 ? 3.182 -13.130 -19.399 1.00 66.79 117 A 1 ATOM 882 N N . LYS A 1 118 ? 7.579 -17.342 -20.587 1.00 76.69 118 A 1 ATOM 883 C CA . LYS A 1 118 ? 8.103 -18.095 -21.728 1.00 73.89 118 A 1 ATOM 884 C C . LYS A 1 118 ? 6.970 -18.189 -22.744 1.00 71.77 118 A 1 ATOM 885 O O . LYS A 1 118 ? 5.991 -18.886 -22.485 1.00 65.48 118 A 1 ATOM 886 C CB . LYS A 1 118 ? 8.598 -19.486 -21.302 1.00 66.60 118 A 1 ATOM 887 C CG . LYS A 1 118 ? 9.892 -19.390 -20.492 1.00 58.03 118 A 1 ATOM 888 C CD . LYS A 1 118 ? 10.403 -20.777 -20.093 1.00 53.82 118 A 1 ATOM 889 C CE . LYS A 1 118 ? 11.691 -20.612 -19.287 1.00 47.38 118 A 1 ATOM 890 N NZ . LYS A 1 118 ? 12.177 -21.905 -18.753 1.00 42.10 118 A 1 ATOM 891 N N . GLU A 1 119 ? 7.092 -17.490 -23.873 1.00 58.92 119 A 1 ATOM 892 C CA . GLU A 1 119 ? 6.244 -17.752 -25.034 1.00 60.39 119 A 1 ATOM 893 C C . GLU A 1 119 ? 6.257 -19.260 -25.280 1.00 59.48 119 A 1 ATOM 894 O O . GLU A 1 119 ? 7.309 -19.866 -25.511 1.00 55.17 119 A 1 ATOM 895 C CB . GLU A 1 119 ? 6.724 -16.990 -26.284 1.00 56.23 119 A 1 ATOM 896 C CG . GLU A 1 119 ? 6.286 -15.516 -26.294 1.00 48.81 119 A 1 ATOM 897 C CD . GLU A 1 119 ? 6.644 -14.837 -27.627 1.00 45.89 119 A 1 ATOM 898 O OE1 . GLU A 1 119 ? 5.784 -14.822 -28.538 1.00 41.46 119 A 1 ATOM 899 O OE2 . GLU A 1 119 ? 7.786 -14.337 -27.728 1.00 43.40 119 A 1 ATOM 900 N N . ALA A 1 120 ? 5.091 -19.883 -25.160 1.00 46.49 120 A 1 ATOM 901 C CA . ALA A 1 120 ? 4.901 -21.243 -25.628 1.00 47.85 120 A 1 ATOM 902 C C . ALA A 1 120 ? 5.056 -21.201 -27.152 1.00 46.71 120 A 1 ATOM 903 O O . ALA A 1 120 ? 4.177 -20.710 -27.855 1.00 43.16 120 A 1 ATOM 904 C CB . ALA A 1 120 ? 3.527 -21.743 -25.163 1.00 43.09 120 A 1 ATOM 905 N N . ALA A 1 121 ? 6.203 -21.648 -27.628 1.00 44.29 121 A 1 ATOM 906 C CA . ALA A 1 121 ? 6.456 -21.909 -29.042 1.00 49.09 121 A 1 ATOM 907 C C . ALA A 1 121 ? 5.615 -23.091 -29.543 1.00 46.30 121 A 1 ATOM 908 O O . ALA A 1 121 ? 5.375 -24.021 -28.746 1.00 42.85 121 A 1 ATOM 909 C CB . ALA A 1 121 ? 7.957 -22.153 -29.230 1.00 44.51 121 A 1 ATOM 910 O OXT . ALA A 1 121 ? 5.248 -23.064 -30.740 1.00 38.68 121 A 1 #