# 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_acriia9 # _entry.id acriia9 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 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 GLY 3 1 n THR 4 1 n GLU 5 1 n HIS 6 1 n PHE 7 1 n LYS 8 1 n GLN 9 1 n THR 10 1 n ILE 11 1 n LYS 12 1 n GLU 13 1 n TYR 14 1 n LEU 15 1 n ASP 16 1 n GLY 17 1 n ARG 18 1 n ALA 19 1 n GLN 20 1 n THR 21 1 n ASP 22 1 n GLU 23 1 n LEU 24 1 n PHE 25 1 n ALA 26 1 n VAL 27 1 n SER 28 1 n TYR 29 1 n ALA 30 1 n LYS 31 1 n GLU 32 1 n ASN 33 1 n LYS 34 1 n ASN 35 1 n LEU 36 1 n ASP 37 1 n ASP 38 1 n CYS 39 1 n ILE 40 1 n THR 41 1 n PHE 42 1 n ILE 43 1 n LEU 44 1 n ASN 45 1 n GLN 46 1 n VAL 47 1 n LYS 48 1 n ALA 49 1 n SER 50 1 n GLY 51 1 n CYS 52 1 n CYS 53 1 n GLY 54 1 n MET 55 1 n THR 56 1 n ASP 57 1 n ASP 58 1 n GLU 59 1 n VAL 60 1 n TRP 61 1 n SER 62 1 n LEU 63 1 n ALA 64 1 n ILE 65 1 n HIS 66 1 n TYR 67 1 n TYR 68 1 n ASP 69 1 n GLU 70 1 n ASP 71 1 n ASN 72 1 n ILE 73 1 n ASP 74 1 n VAL 75 1 n GLY 76 1 n ASN 77 1 n PRO 78 1 n ILE 79 1 n SER 80 1 n CYS 81 1 n GLY 82 1 n VAL 83 1 n VAL 84 1 n VAL 85 1 n ASN 86 1 n HIS 87 1 n LYS 88 1 n VAL 89 1 n GLU 90 1 n LEU 91 1 n THR 92 1 n GLU 93 1 n GLU 94 1 n GLU 95 1 n LYS 96 1 n ALA 97 1 n GLN 98 1 n ALA 99 1 n ARG 100 1 n LYS 101 1 n GLU 102 1 n ALA 103 1 n LEU 104 1 n LYS 105 1 n ALA 106 1 n TYR 107 1 n GLN 108 1 n GLU 109 1 n GLU 110 1 n GLU 111 1 n MET 112 1 n ARG 113 1 n LYS 114 1 n ILE 115 1 n GLN 116 1 n GLN 117 1 n ARG 118 1 n HIS 119 1 n SER 120 1 n LYS 121 1 n PRO 122 1 n LYS 123 1 n PRO 124 1 n THR 125 1 n ALA 126 1 n LYS 127 1 n ALA 128 1 n ALA 129 1 n GLN 130 1 n SER 131 1 n ASN 132 1 n GLN 133 1 n THR 134 1 n GLU 135 1 n LEU 136 1 n SER 137 1 n LEU 138 1 n PHE 139 1 n ASP 140 1 n PHE 141 # _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 00:59:18)" _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 80.79 _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 49.03 1 1 A LYS 2 2 59.50 1 2 A GLY 3 2 64.34 1 3 A THR 4 2 77.61 1 4 A GLU 5 2 78.58 1 5 A HIS 6 2 78.49 1 6 A PHE 7 2 90.93 1 7 A LYS 8 2 86.55 1 8 A GLN 9 2 84.65 1 9 A THR 10 2 92.63 1 10 A ILE 11 2 93.54 1 11 A LYS 12 2 91.56 1 12 A GLU 13 2 89.06 1 13 A TYR 14 2 94.91 1 14 A LEU 15 2 95.62 1 15 A ASP 16 2 94.47 1 16 A GLY 17 2 96.38 1 17 A ARG 18 2 89.01 1 18 A ALA 19 2 96.11 1 19 A GLN 20 2 90.19 1 20 A THR 21 2 93.76 1 21 A ASP 22 2 92.88 1 22 A GLU 23 2 88.14 1 23 A LEU 24 2 90.93 1 24 A PHE 25 2 94.62 1 25 A ALA 26 2 95.83 1 26 A VAL 27 2 93.66 1 27 A SER 28 2 92.57 1 28 A TYR 29 2 92.73 1 29 A ALA 30 2 93.37 1 30 A LYS 31 2 87.61 1 31 A GLU 32 2 82.84 1 32 A ASN 33 2 84.45 1 33 A LYS 34 2 88.05 1 34 A ASN 35 2 87.45 1 35 A LEU 36 2 91.31 1 36 A ASP 37 2 88.34 1 37 A ASP 38 2 90.37 1 38 A CYS 39 2 93.96 1 39 A ILE 40 2 90.98 1 40 A THR 41 2 91.04 1 41 A PHE 42 2 93.52 1 42 A ILE 43 2 93.30 1 43 A LEU 44 2 90.51 1 44 A ASN 45 2 89.47 1 45 A GLN 46 2 87.80 1 46 A VAL 47 2 91.37 1 47 A LYS 48 2 83.81 1 48 A ALA 49 2 90.87 1 49 A SER 50 2 90.01 1 50 A GLY 51 2 90.34 1 51 A CYS 52 2 83.11 1 52 A CYS 53 2 80.33 1 53 A GLY 54 2 87.02 1 54 A MET 55 2 84.70 1 55 A THR 56 2 92.12 1 56 A ASP 57 2 90.54 1 57 A ASP 58 2 91.32 1 58 A GLU 59 2 90.55 1 59 A VAL 60 2 94.50 1 60 A TRP 61 2 90.06 1 61 A SER 62 2 94.17 1 62 A LEU 63 2 93.89 1 63 A ALA 64 2 95.76 1 64 A ILE 65 2 93.92 1 65 A HIS 66 2 89.41 1 66 A TYR 67 2 93.40 1 67 A TYR 68 2 93.94 1 68 A ASP 69 2 88.78 1 69 A GLU 70 2 83.03 1 70 A ASP 71 2 83.40 1 71 A ASN 72 2 81.12 1 72 A ILE 73 2 83.99 1 73 A ASP 74 2 80.86 1 74 A VAL 75 2 84.03 1 75 A GLY 76 2 86.44 1 76 A ASN 77 2 81.81 1 77 A PRO 78 2 84.64 1 78 A ILE 79 2 77.65 1 79 A SER 80 2 75.58 1 80 A CYS 81 2 76.65 1 81 A GLY 82 2 76.79 1 82 A VAL 83 2 79.30 1 83 A VAL 84 2 77.10 1 84 A VAL 85 2 73.89 1 85 A ASN 86 2 64.95 1 86 A HIS 87 2 60.19 1 87 A LYS 88 2 55.41 1 88 A VAL 89 2 62.52 1 89 A GLU 90 2 62.58 1 90 A LEU 91 2 69.97 1 91 A THR 92 2 78.32 1 92 A GLU 93 2 80.76 1 93 A GLU 94 2 80.92 1 94 A GLU 95 2 77.13 1 95 A LYS 96 2 79.23 1 96 A ALA 97 2 91.94 1 97 A GLN 98 2 80.59 1 98 A ALA 99 2 88.20 1 99 A ARG 100 2 77.61 1 100 A LYS 101 2 86.59 1 101 A GLU 102 2 82.21 1 102 A ALA 103 2 93.48 1 103 A LEU 104 2 89.39 1 104 A LYS 105 2 85.14 1 105 A ALA 106 2 93.49 1 106 A TYR 107 2 89.49 1 107 A GLN 108 2 84.95 1 108 A GLU 109 2 86.25 1 109 A GLU 110 2 84.50 1 110 A GLU 111 2 83.33 1 111 A MET 112 2 82.92 1 112 A ARG 113 2 80.87 1 113 A LYS 114 2 85.81 1 114 A ILE 115 2 88.70 1 115 A GLN 116 2 80.25 1 116 A GLN 117 2 81.69 1 117 A ARG 118 2 73.31 1 118 A HIS 119 2 71.80 1 119 A SER 120 2 79.37 1 120 A LYS 121 2 66.86 1 121 A PRO 122 2 68.55 1 122 A LYS 123 2 58.88 1 123 A PRO 124 2 61.18 1 124 A THR 125 2 56.05 1 125 A ALA 126 2 53.87 1 126 A LYS 127 2 42.59 1 127 A ALA 128 2 44.95 1 128 A ALA 129 2 45.14 1 129 A GLN 130 2 41.45 1 130 A SER 131 2 46.64 1 131 A ASN 132 2 47.90 1 132 A GLN 133 2 51.51 1 133 A THR 134 2 60.01 1 134 A GLU 135 2 54.16 1 135 A LEU 136 2 62.51 1 136 A SER 137 2 60.60 1 137 A LEU 138 2 63.89 1 138 A PHE 139 2 66.12 1 139 A ASP 140 2 61.25 1 140 A PHE 141 2 62.56 1 141 # _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 GLY . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n HIS . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n GLN . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n GLU . 13 A 13 A 14 1 n TYR . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ASP . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n GLN . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n VAL . 27 A 27 A 28 1 n SER . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n ALA . 30 A 30 A 31 1 n LYS . 31 A 31 A 32 1 n GLU . 32 A 32 A 33 1 n ASN . 33 A 33 A 34 1 n LYS . 34 A 34 A 35 1 n ASN . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n ASP . 37 A 37 A 38 1 n ASP . 38 A 38 A 39 1 n CYS . 39 A 39 A 40 1 n ILE . 40 A 40 A 41 1 n THR . 41 A 41 A 42 1 n PHE . 42 A 42 A 43 1 n ILE . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n ASN . 45 A 45 A 46 1 n GLN . 46 A 46 A 47 1 n VAL . 47 A 47 A 48 1 n LYS . 48 A 48 A 49 1 n ALA . 49 A 49 A 50 1 n SER . 50 A 50 A 51 1 n GLY . 51 A 51 A 52 1 n CYS . 52 A 52 A 53 1 n CYS . 53 A 53 A 54 1 n GLY . 54 A 54 A 55 1 n MET . 55 A 55 A 56 1 n THR . 56 A 56 A 57 1 n ASP . 57 A 57 A 58 1 n ASP . 58 A 58 A 59 1 n GLU . 59 A 59 A 60 1 n VAL . 60 A 60 A 61 1 n TRP . 61 A 61 A 62 1 n SER . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n ILE . 65 A 65 A 66 1 n HIS . 66 A 66 A 67 1 n TYR . 67 A 67 A 68 1 n TYR . 68 A 68 A 69 1 n ASP . 69 A 69 A 70 1 n GLU . 70 A 70 A 71 1 n ASP . 71 A 71 A 72 1 n ASN . 72 A 72 A 73 1 n ILE . 73 A 73 A 74 1 n ASP . 74 A 74 A 75 1 n VAL . 75 A 75 A 76 1 n GLY . 76 A 76 A 77 1 n ASN . 77 A 77 A 78 1 n PRO . 78 A 78 A 79 1 n ILE . 79 A 79 A 80 1 n SER . 80 A 80 A 81 1 n CYS . 81 A 81 A 82 1 n GLY . 82 A 82 A 83 1 n VAL . 83 A 83 A 84 1 n VAL . 84 A 84 A 85 1 n VAL . 85 A 85 A 86 1 n ASN . 86 A 86 A 87 1 n HIS . 87 A 87 A 88 1 n LYS . 88 A 88 A 89 1 n VAL . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n LEU . 91 A 91 A 92 1 n THR . 92 A 92 A 93 1 n GLU . 93 A 93 A 94 1 n GLU . 94 A 94 A 95 1 n GLU . 95 A 95 A 96 1 n LYS . 96 A 96 A 97 1 n ALA . 97 A 97 A 98 1 n GLN . 98 A 98 A 99 1 n ALA . 99 A 99 A 100 1 n ARG . 100 A 100 A 101 1 n LYS . 101 A 101 A 102 1 n GLU . 102 A 102 A 103 1 n ALA . 103 A 103 A 104 1 n LEU . 104 A 104 A 105 1 n LYS . 105 A 105 A 106 1 n ALA . 106 A 106 A 107 1 n TYR . 107 A 107 A 108 1 n GLN . 108 A 108 A 109 1 n GLU . 109 A 109 A 110 1 n GLU . 110 A 110 A 111 1 n GLU . 111 A 111 A 112 1 n MET . 112 A 112 A 113 1 n ARG . 113 A 113 A 114 1 n LYS . 114 A 114 A 115 1 n ILE . 115 A 115 A 116 1 n GLN . 116 A 116 A 117 1 n GLN . 117 A 117 A 118 1 n ARG . 118 A 118 A 119 1 n HIS . 119 A 119 A 120 1 n SER . 120 A 120 A 121 1 n LYS . 121 A 121 A 122 1 n PRO . 122 A 122 A 123 1 n LYS . 123 A 123 A 124 1 n PRO . 124 A 124 A 125 1 n THR . 125 A 125 A 126 1 n ALA . 126 A 126 A 127 1 n LYS . 127 A 127 A 128 1 n ALA . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n GLN . 130 A 130 A 131 1 n SER . 131 A 131 A 132 1 n ASN . 132 A 132 A 133 1 n GLN . 133 A 133 A 134 1 n THR . 134 A 134 A 135 1 n GLU . 135 A 135 A 136 1 n LEU . 136 A 136 A 137 1 n SER . 137 A 137 A 138 1 n LEU . 138 A 138 A 139 1 n PHE . 139 A 139 A 140 1 n ASP . 140 A 140 A 141 1 n PHE . 141 A 141 # _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 ? 5.883 -3.507 -7.697 1.00 50.99 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.353 -3.914 -6.368 1.00 53.77 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.915 -2.651 -5.639 1.00 55.77 1 A 1 ATOM 4 O O . MET A 1 1 ? 5.766 -1.834 -5.341 1.00 51.24 1 A 1 ATOM 5 C CB . MET A 1 1 ? 6.431 -4.638 -5.544 1.00 50.32 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.688 -6.083 -6.010 1.00 46.74 1 A 1 ATOM 7 S SD . MET A 1 1 ? 8.019 -6.862 -5.060 1.00 43.71 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.883 -8.589 -5.598 1.00 39.67 1 A 1 ATOM 9 N N . LYS A 1 2 ? 3.604 -2.443 -5.391 1.00 69.95 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 3.082 -1.158 -4.861 1.00 68.49 2 A 1 ATOM 11 C C . LYS A 1 2 ? 3.627 -0.798 -3.468 1.00 66.60 2 A 1 ATOM 12 O O . LYS A 1 2 ? 3.915 0.356 -3.198 1.00 61.09 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 1.541 -1.177 -4.862 1.00 64.45 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 0.946 -1.237 -6.281 1.00 60.42 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -0.590 -1.156 -6.253 1.00 54.43 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -1.155 -1.165 -7.678 1.00 49.08 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -2.636 -1.025 -7.689 1.00 41.01 2 A 1 ATOM 18 N N . GLY A 1 3 ? 3.839 -1.787 -2.599 1.00 62.77 3 A 1 ATOM 19 C CA . GLY A 1 3 ? 4.333 -1.553 -1.234 1.00 62.53 3 A 1 ATOM 20 C C . GLY A 1 3 ? 5.757 -0.993 -1.159 1.00 67.31 3 A 1 ATOM 21 O O . GLY A 1 3 ? 6.028 -0.132 -0.327 1.00 64.76 3 A 1 ATOM 22 N N . THR A 1 4 ? 6.662 -1.427 -2.049 1.00 78.64 4 A 1 ATOM 23 C CA . THR A 1 4 ? 8.038 -0.907 -2.120 1.00 81.97 4 A 1 ATOM 24 C C . THR A 1 4 ? 8.098 0.514 -2.682 1.00 85.75 4 A 1 ATOM 25 O O . THR A 1 4 ? 8.961 1.279 -2.274 1.00 85.43 4 A 1 ATOM 26 C CB . THR A 1 4 ? 8.946 -1.832 -2.948 1.00 77.68 4 A 1 ATOM 27 O OG1 . THR A 1 4 ? 8.250 -2.387 -4.048 1.00 67.94 4 A 1 ATOM 28 C CG2 . THR A 1 4 ? 9.425 -3.027 -2.120 1.00 65.88 4 A 1 ATOM 29 N N . GLU A 1 5 ? 7.185 0.895 -3.565 1.00 86.52 5 A 1 ATOM 30 C CA . GLU A 1 5 ? 7.087 2.268 -4.082 1.00 87.87 5 A 1 ATOM 31 C C . GLU A 1 5 ? 6.622 3.244 -2.994 1.00 89.45 5 A 1 ATOM 32 O O . GLU A 1 5 ? 7.219 4.303 -2.826 1.00 88.86 5 A 1 ATOM 33 C CB . GLU A 1 5 ? 6.129 2.319 -5.280 1.00 85.98 5 A 1 ATOM 34 C CG . GLU A 1 5 ? 6.702 1.596 -6.505 1.00 77.30 5 A 1 ATOM 35 C CD . GLU A 1 5 ? 5.727 1.544 -7.691 1.00 69.72 5 A 1 ATOM 36 O OE1 . GLU A 1 5 ? 6.219 1.392 -8.826 1.00 61.56 5 A 1 ATOM 37 O OE2 . GLU A 1 5 ? 4.492 1.542 -7.456 1.00 59.99 5 A 1 ATOM 38 N N . HIS A 1 6 ? 5.623 2.863 -2.199 1.00 89.37 6 A 1 ATOM 39 C CA . HIS A 1 6 ? 5.194 3.664 -1.050 1.00 89.64 6 A 1 ATOM 40 C C . HIS A 1 6 ? 6.307 3.806 -0.007 1.00 91.81 6 A 1 ATOM 41 O O . HIS A 1 6 ? 6.568 4.914 0.448 1.00 91.29 6 A 1 ATOM 42 C CB . HIS A 1 6 ? 3.934 3.050 -0.428 1.00 86.67 6 A 1 ATOM 43 C CG . HIS A 1 6 ? 2.701 3.274 -1.268 1.00 77.39 6 A 1 ATOM 44 N ND1 . HIS A 1 6 ? 2.159 4.497 -1.591 1.00 68.33 6 A 1 ATOM 45 C CD2 . HIS A 1 6 ? 1.912 2.320 -1.857 1.00 65.06 6 A 1 ATOM 46 C CE1 . HIS A 1 6 ? 1.077 4.284 -2.357 1.00 61.74 6 A 1 ATOM 47 N NE2 . HIS A 1 6 ? 0.884 2.971 -2.543 1.00 63.61 6 A 1 ATOM 48 N N . PHE A 1 7 ? 7.019 2.726 0.305 1.00 89.49 7 A 1 ATOM 49 C CA . PHE A 1 7 ? 8.153 2.770 1.227 1.00 91.63 7 A 1 ATOM 50 C C . PHE A 1 7 ? 9.269 3.702 0.725 1.00 93.42 7 A 1 ATOM 51 O O . PHE A 1 7 ? 9.773 4.527 1.482 1.00 93.62 7 A 1 ATOM 52 C CB . PHE A 1 7 ? 8.668 1.340 1.424 1.00 91.53 7 A 1 ATOM 53 C CG . PHE A 1 7 ? 9.791 1.221 2.433 1.00 91.99 7 A 1 ATOM 54 C CD1 . PHE A 1 7 ? 11.070 0.788 2.028 1.00 89.44 7 A 1 ATOM 55 C CD2 . PHE A 1 7 ? 9.553 1.512 3.788 1.00 89.88 7 A 1 ATOM 56 C CE1 . PHE A 1 7 ? 12.095 0.631 2.978 1.00 89.17 7 A 1 ATOM 57 C CE2 . PHE A 1 7 ? 10.580 1.363 4.735 1.00 89.33 7 A 1 ATOM 58 C CZ . PHE A 1 7 ? 11.852 0.917 4.333 1.00 90.76 7 A 1 ATOM 59 N N . LYS A 1 8 ? 9.595 3.625 -0.569 1.00 92.28 8 A 1 ATOM 60 C CA . LYS A 1 8 ? 10.564 4.512 -1.224 1.00 92.77 8 A 1 ATOM 61 C C . LYS A 1 8 ? 10.146 5.978 -1.134 1.00 93.80 8 A 1 ATOM 62 O O . LYS A 1 8 ? 10.977 6.826 -0.827 1.00 93.77 8 A 1 ATOM 63 C CB . LYS A 1 8 ? 10.753 4.054 -2.684 1.00 91.27 8 A 1 ATOM 64 C CG . LYS A 1 8 ? 11.772 4.911 -3.452 1.00 84.86 8 A 1 ATOM 65 C CD . LYS A 1 8 ? 12.115 4.311 -4.821 1.00 83.76 8 A 1 ATOM 66 C CE . LYS A 1 8 ? 13.226 5.132 -5.495 1.00 76.10 8 A 1 ATOM 67 N NZ . LYS A 1 8 ? 13.746 4.479 -6.719 1.00 70.30 8 A 1 ATOM 68 N N . GLN A 1 9 ? 8.878 6.268 -1.377 1.00 93.40 9 A 1 ATOM 69 C CA . GLN A 1 9 ? 8.347 7.625 -1.305 1.00 93.32 9 A 1 ATOM 70 C C . GLN A 1 9 ? 8.416 8.184 0.122 1.00 94.57 9 A 1 ATOM 71 O O . GLN A 1 9 ? 8.903 9.293 0.307 1.00 94.67 9 A 1 ATOM 72 C CB . GLN A 1 9 ? 6.915 7.623 -1.866 1.00 92.10 9 A 1 ATOM 73 C CG . GLN A 1 9 ? 6.311 9.031 -1.948 1.00 82.19 9 A 1 ATOM 74 C CD . GLN A 1 9 ? 7.075 9.977 -2.874 1.00 76.70 9 A 1 ATOM 75 O OE1 . GLN A 1 9 ? 7.766 9.597 -3.815 1.00 69.76 9 A 1 ATOM 76 N NE2 . GLN A 1 9 ? 6.965 11.262 -2.630 1.00 65.15 9 A 1 ATOM 77 N N . THR A 1 10 ? 8.038 7.399 1.125 1.00 93.87 10 A 1 ATOM 78 C CA . THR A 1 10 ? 8.090 7.816 2.534 1.00 94.09 10 A 1 ATOM 79 C C . THR A 1 10 ? 9.522 8.097 2.999 1.00 95.26 10 A 1 ATOM 80 O O . THR A 1 10 ? 9.771 9.107 3.650 1.00 95.03 10 A 1 ATOM 81 C CB . THR A 1 10 ? 7.451 6.741 3.424 1.00 93.02 10 A 1 ATOM 82 O OG1 . THR A 1 10 ? 6.130 6.477 3.006 1.00 88.86 10 A 1 ATOM 83 C CG2 . THR A 1 10 ? 7.355 7.157 4.884 1.00 88.27 10 A 1 ATOM 84 N N . ILE A 1 11 ? 10.493 7.242 2.633 1.00 94.34 11 A 1 ATOM 85 C CA . ILE A 1 11 ? 11.910 7.485 2.956 1.00 95.23 11 A 1 ATOM 86 C C . ILE A 1 11 ? 12.403 8.749 2.260 1.00 96.03 11 A 1 ATOM 87 O O . ILE A 1 11 ? 13.080 9.561 2.883 1.00 95.93 11 A 1 ATOM 88 C CB . ILE A 1 11 ? 12.783 6.261 2.599 1.00 95.07 11 A 1 ATOM 89 C CG1 . ILE A 1 11 ? 12.460 5.118 3.586 1.00 93.29 11 A 1 ATOM 90 C CG2 . ILE A 1 11 ? 14.290 6.584 2.649 1.00 93.05 11 A 1 ATOM 91 C CD1 . ILE A 1 11 ? 13.145 3.794 3.252 1.00 85.39 11 A 1 ATOM 92 N N . LYS A 1 12 ? 12.050 8.938 0.983 1.00 95.09 12 A 1 ATOM 93 C CA . LYS A 1 12 ? 12.442 10.129 0.231 1.00 95.48 12 A 1 ATOM 94 C C . LYS A 1 12 ? 11.923 11.408 0.886 1.00 95.68 12 A 1 ATOM 95 O O . LYS A 1 12 ? 12.703 12.323 1.102 1.00 95.52 12 A 1 ATOM 96 C CB . LYS A 1 12 ? 11.971 9.996 -1.219 1.00 95.24 12 A 1 ATOM 97 C CG . LYS A 1 12 ? 12.526 11.157 -2.046 1.00 93.79 12 A 1 ATOM 98 C CD . LYS A 1 12 ? 12.044 11.096 -3.494 1.00 90.79 12 A 1 ATOM 99 C CE . LYS A 1 12 ? 12.588 12.359 -4.157 1.00 85.46 12 A 1 ATOM 100 N NZ . LYS A 1 12 ? 12.089 12.512 -5.536 1.00 76.98 12 A 1 ATOM 101 N N . GLU A 1 13 ? 10.651 11.453 1.241 1.00 96.01 13 A 1 ATOM 102 C CA . GLU A 1 13 ? 10.034 12.613 1.904 1.00 95.63 13 A 1 ATOM 103 C C . GLU A 1 13 ? 10.719 12.944 3.234 1.00 96.27 13 A 1 ATOM 104 O O . GLU A 1 13 ? 10.972 14.113 3.527 1.00 95.52 13 A 1 ATOM 105 C CB . GLU A 1 13 ? 8.543 12.329 2.140 1.00 94.47 13 A 1 ATOM 106 C CG . GLU A 1 13 ? 7.736 12.431 0.834 1.00 88.12 13 A 1 ATOM 107 C CD . GLU A 1 13 ? 6.288 11.934 0.952 1.00 83.71 13 A 1 ATOM 108 O OE1 . GLU A 1 13 ? 5.648 11.829 -0.127 1.00 76.09 13 A 1 ATOM 109 O OE2 . GLU A 1 13 ? 5.831 11.626 2.073 1.00 75.69 13 A 1 ATOM 110 N N . TYR A 1 14 ? 11.084 11.924 4.018 1.00 95.82 14 A 1 ATOM 111 C CA . TYR A 1 14 ? 11.831 12.118 5.259 1.00 96.15 14 A 1 ATOM 112 C C . TYR A 1 14 ? 13.234 12.686 5.006 1.00 96.69 14 A 1 ATOM 113 O O . TYR A 1 14 ? 13.632 13.658 5.653 1.00 96.41 14 A 1 ATOM 114 C CB . TYR A 1 14 ? 11.901 10.793 6.025 1.00 96.22 14 A 1 ATOM 115 C CG . TYR A 1 14 ? 12.747 10.909 7.278 1.00 95.92 14 A 1 ATOM 116 C CD1 . TYR A 1 14 ? 14.105 10.529 7.247 1.00 93.78 14 A 1 ATOM 117 C CD2 . TYR A 1 14 ? 12.201 11.469 8.446 1.00 94.35 14 A 1 ATOM 118 C CE1 . TYR A 1 14 ? 14.912 10.699 8.387 1.00 93.48 14 A 1 ATOM 119 C CE2 . TYR A 1 14 ? 13.005 11.641 9.591 1.00 93.67 14 A 1 ATOM 120 C CZ . TYR A 1 14 ? 14.360 11.255 9.559 1.00 93.94 14 A 1 ATOM 121 O OH . TYR A 1 14 ? 15.138 11.425 10.659 1.00 92.44 14 A 1 ATOM 122 N N . LEU A 1 15 ? 13.986 12.108 4.053 1.00 96.11 15 A 1 ATOM 123 C CA . LEU A 1 15 ? 15.342 12.552 3.722 1.00 96.61 15 A 1 ATOM 124 C C . LEU A 1 15 ? 15.345 13.970 3.135 1.00 96.87 15 A 1 ATOM 125 O O . LEU A 1 15 ? 16.179 14.784 3.524 1.00 96.39 15 A 1 ATOM 126 C CB . LEU A 1 15 ? 15.988 11.552 2.753 1.00 96.65 15 A 1 ATOM 127 C CG . LEU A 1 15 ? 16.293 10.162 3.346 1.00 95.95 15 A 1 ATOM 128 C CD1 . LEU A 1 15 ? 16.748 9.227 2.223 1.00 93.19 15 A 1 ATOM 129 C CD2 . LEU A 1 15 ? 17.392 10.198 4.404 1.00 93.20 15 A 1 ATOM 130 N N . ASP A 1 16 ? 14.389 14.301 2.273 1.00 96.86 16 A 1 ATOM 131 C CA . ASP A 1 16 ? 14.209 15.648 1.724 1.00 96.69 16 A 1 ATOM 132 C C . ASP A 1 16 ? 13.913 16.660 2.849 1.00 96.79 16 A 1 ATOM 133 O O . ASP A 1 16 ? 14.508 17.740 2.901 1.00 95.82 16 A 1 ATOM 134 C CB . ASP A 1 16 ? 13.071 15.648 0.675 1.00 95.90 16 A 1 ATOM 135 C CG . ASP A 1 16 ? 13.380 14.959 -0.673 1.00 94.20 16 A 1 ATOM 136 O OD1 . ASP A 1 16 ? 14.562 14.742 -1.012 1.00 89.71 16 A 1 ATOM 137 O OD2 . ASP A 1 16 ? 12.415 14.688 -1.437 1.00 89.75 16 A 1 ATOM 138 N N . GLY A 1 17 ? 13.046 16.306 3.798 1.00 96.72 17 A 1 ATOM 139 C CA . GLY A 1 17 ? 12.765 17.136 4.976 1.00 96.40 17 A 1 ATOM 140 C C . GLY A 1 17 ? 13.976 17.308 5.897 1.00 96.72 17 A 1 ATOM 141 O O . GLY A 1 17 ? 14.231 18.404 6.413 1.00 95.67 17 A 1 ATOM 142 N N . ARG A 1 18 ? 14.776 16.251 6.073 1.00 95.83 18 A 1 ATOM 143 C CA . ARG A 1 18 ? 16.021 16.302 6.851 1.00 95.98 18 A 1 ATOM 144 C C . ARG A 1 18 ? 17.066 17.190 6.174 1.00 96.74 18 A 1 ATOM 145 O O . ARG A 1 18 ? 17.658 18.026 6.852 1.00 96.15 18 A 1 ATOM 146 C CB . ARG A 1 18 ? 16.546 14.877 7.098 1.00 95.51 18 A 1 ATOM 147 C CG . ARG A 1 18 ? 17.794 14.841 8.002 1.00 92.70 18 A 1 ATOM 148 C CD . ARG A 1 18 ? 17.508 15.328 9.426 1.00 89.20 18 A 1 ATOM 149 N NE . ARG A 1 18 ? 18.742 15.393 10.222 1.00 84.81 18 A 1 ATOM 150 C CZ . ARG A 1 18 ? 18.835 15.664 11.508 1.00 80.17 18 A 1 ATOM 151 N NH1 . ARG A 1 18 ? 17.777 15.821 12.260 1.00 74.89 18 A 1 ATOM 152 N NH2 . ARG A 1 18 ? 20.012 15.795 12.046 1.00 77.16 18 A 1 ATOM 153 N N . ALA A 1 19 ? 17.234 17.075 4.855 1.00 96.34 19 A 1 ATOM 154 C CA . ALA A 1 19 ? 18.167 17.890 4.077 1.00 96.30 19 A 1 ATOM 155 C C . ALA A 1 19 ? 17.819 19.391 4.103 1.00 96.48 19 A 1 ATOM 156 O O . ALA A 1 19 ? 18.707 20.233 4.045 1.00 95.58 19 A 1 ATOM 157 C CB . ALA A 1 19 ? 18.195 17.348 2.642 1.00 95.86 19 A 1 ATOM 158 N N . GLN A 1 20 ? 16.547 19.754 4.248 1.00 96.65 20 A 1 ATOM 159 C CA . GLN A 1 20 ? 16.134 21.157 4.430 1.00 96.57 20 A 1 ATOM 160 C C . GLN A 1 20 ? 16.509 21.718 5.808 1.00 96.53 20 A 1 ATOM 161 O O . GLN A 1 20 ? 16.663 22.927 5.958 1.00 95.32 20 A 1 ATOM 162 C CB . GLN A 1 20 ? 14.617 21.273 4.240 1.00 96.15 20 A 1 ATOM 163 C CG . GLN A 1 20 ? 14.202 21.098 2.772 1.00 92.17 20 A 1 ATOM 164 C CD . GLN A 1 20 ? 12.687 21.059 2.594 1.00 85.30 20 A 1 ATOM 165 O OE1 . GLN A 1 20 ? 11.899 21.521 3.407 1.00 78.52 20 A 1 ATOM 166 N NE2 . GLN A 1 20 ? 12.211 20.509 1.499 1.00 74.47 20 A 1 ATOM 167 N N . THR A 1 21 ? 16.611 20.855 6.815 1.00 96.48 21 A 1 ATOM 168 C CA . THR A 1 21 ? 16.890 21.258 8.205 1.00 96.16 21 A 1 ATOM 169 C C . THR A 1 21 ? 18.388 21.223 8.533 1.00 96.11 21 A 1 ATOM 170 O O . THR A 1 21 ? 18.846 21.968 9.395 1.00 94.46 21 A 1 ATOM 171 C CB . THR A 1 21 ? 16.117 20.351 9.181 1.00 95.26 21 A 1 ATOM 172 O OG1 . THR A 1 21 ? 14.758 20.248 8.810 1.00 90.54 21 A 1 ATOM 173 C CG2 . THR A 1 21 ? 16.124 20.877 10.615 1.00 87.32 21 A 1 ATOM 174 N N . ASP A 1 22 ? 19.151 20.365 7.853 1.00 95.71 22 A 1 ATOM 175 C CA . ASP A 1 22 ? 20.555 20.071 8.135 1.00 95.52 22 A 1 ATOM 176 C C . ASP A 1 22 ? 21.415 20.247 6.874 1.00 96.03 22 A 1 ATOM 177 O O . ASP A 1 22 ? 21.400 19.421 5.963 1.00 94.86 22 A 1 ATOM 178 C CB . ASP A 1 22 ? 20.626 18.651 8.714 1.00 93.70 22 A 1 ATOM 179 C CG . ASP A 1 22 ? 21.981 18.288 9.327 1.00 92.27 22 A 1 ATOM 180 O OD1 . ASP A 1 22 ? 22.998 18.907 8.940 1.00 87.97 22 A 1 ATOM 181 O OD2 . ASP A 1 22 ? 21.949 17.382 10.204 1.00 86.94 22 A 1 ATOM 182 N N . GLU A 1 23 ? 22.179 21.349 6.821 1.00 95.94 23 A 1 ATOM 183 C CA . GLU A 1 23 ? 23.037 21.692 5.679 1.00 95.96 23 A 1 ATOM 184 C C . GLU A 1 23 ? 24.162 20.669 5.445 1.00 95.98 23 A 1 ATOM 185 O O . GLU A 1 23 ? 24.542 20.419 4.300 1.00 93.97 23 A 1 ATOM 186 C CB . GLU A 1 23 ? 23.663 23.083 5.891 1.00 94.83 23 A 1 ATOM 187 C CG . GLU A 1 23 ? 22.629 24.227 5.907 1.00 86.30 23 A 1 ATOM 188 C CD . GLU A 1 23 ? 23.272 25.625 6.053 1.00 81.03 23 A 1 ATOM 189 O OE1 . GLU A 1 23 ? 22.520 26.622 5.923 1.00 74.35 23 A 1 ATOM 190 O OE2 . GLU A 1 23 ? 24.496 25.709 6.299 1.00 74.86 23 A 1 ATOM 191 N N . LEU A 1 24 ? 24.687 20.052 6.504 1.00 95.44 24 A 1 ATOM 192 C CA . LEU A 1 24 ? 25.734 19.028 6.380 1.00 95.16 24 A 1 ATOM 193 C C . LEU A 1 24 ? 25.169 17.754 5.752 1.00 95.35 24 A 1 ATOM 194 O O . LEU A 1 24 ? 25.775 17.188 4.839 1.00 94.20 24 A 1 ATOM 195 C CB . LEU A 1 24 ? 26.351 18.731 7.758 1.00 94.22 24 A 1 ATOM 196 C CG . LEU A 1 24 ? 27.155 19.895 8.367 1.00 88.65 24 A 1 ATOM 197 C CD1 . LEU A 1 24 ? 27.593 19.519 9.784 1.00 82.83 24 A 1 ATOM 198 C CD2 . LEU A 1 24 ? 28.418 20.214 7.559 1.00 81.58 24 A 1 ATOM 199 N N . PHE A 1 25 ? 23.979 17.354 6.182 1.00 94.81 25 A 1 ATOM 200 C CA . PHE A 1 25 ? 23.282 16.218 5.594 1.00 95.21 25 A 1 ATOM 201 C C . PHE A 1 25 ? 22.878 16.487 4.137 1.00 95.90 25 A 1 ATOM 202 O O . PHE A 1 25 ? 22.996 15.598 3.300 1.00 95.45 25 A 1 ATOM 203 C CB . PHE A 1 25 ? 22.061 15.864 6.452 1.00 95.02 25 A 1 ATOM 204 C CG . PHE A 1 25 ? 21.342 14.642 5.926 1.00 95.64 25 A 1 ATOM 205 C CD1 . PHE A 1 25 ? 20.146 14.774 5.200 1.00 93.08 25 A 1 ATOM 206 C CD2 . PHE A 1 25 ? 21.922 13.369 6.094 1.00 93.91 25 A 1 ATOM 207 C CE1 . PHE A 1 25 ? 19.530 13.643 4.642 1.00 93.56 25 A 1 ATOM 208 C CE2 . PHE A 1 25 ? 21.314 12.236 5.531 1.00 93.66 25 A 1 ATOM 209 C CZ . PHE A 1 25 ? 20.118 12.373 4.803 1.00 94.61 25 A 1 ATOM 210 N N . ALA A 1 26 ? 22.488 17.711 3.793 1.00 96.19 26 A 1 ATOM 211 C CA . ALA A 1 26 ? 22.146 18.083 2.420 1.00 96.18 26 A 1 ATOM 212 C C . ALA A 1 26 ? 23.309 17.847 1.440 1.00 95.88 26 A 1 ATOM 213 O O . ALA A 1 26 ? 23.095 17.357 0.330 1.00 94.96 26 A 1 ATOM 214 C CB . ALA A 1 26 ? 21.704 19.550 2.407 1.00 95.94 26 A 1 ATOM 215 N N . VAL A 1 27 ? 24.554 18.134 1.856 1.00 95.99 27 A 1 ATOM 216 C CA . VAL A 1 27 ? 25.756 17.858 1.052 1.00 95.64 27 A 1 ATOM 217 C C . VAL A 1 27 ? 25.960 16.351 0.860 1.00 95.24 27 A 1 ATOM 218 O O . VAL A 1 27 ? 26.248 15.906 -0.253 1.00 93.75 27 A 1 ATOM 219 C CB . VAL A 1 27 ? 27.001 18.512 1.685 1.00 95.01 27 A 1 ATOM 220 C CG1 . VAL A 1 27 ? 28.290 18.182 0.911 1.00 90.20 27 A 1 ATOM 221 C CG2 . VAL A 1 27 ? 26.871 20.042 1.698 1.00 89.76 27 A 1 ATOM 222 N N . SER A 1 28 ? 25.782 15.560 1.914 1.00 95.54 28 A 1 ATOM 223 C CA . SER A 1 28 ? 25.884 14.093 1.841 1.00 94.66 28 A 1 ATOM 224 C C . SER A 1 28 ? 24.780 13.468 0.981 1.00 94.79 28 A 1 ATOM 225 O O . SER A 1 28 ? 25.045 12.540 0.219 1.00 93.27 28 A 1 ATOM 226 C CB . SER A 1 28 ? 25.849 13.491 3.249 1.00 93.52 28 A 1 ATOM 227 O OG . SER A 1 28 ? 26.986 13.907 3.980 1.00 83.64 28 A 1 ATOM 228 N N . TYR A 1 29 ? 23.573 14.016 1.058 1.00 94.38 29 A 1 ATOM 229 C CA . TYR A 1 29 ? 22.410 13.573 0.283 1.00 94.48 29 A 1 ATOM 230 C C . TYR A 1 29 ? 22.518 13.908 -1.211 1.00 94.67 29 A 1 ATOM 231 O O . TYR A 1 29 ? 22.039 13.151 -2.053 1.00 93.37 29 A 1 ATOM 232 C CB . TYR A 1 29 ? 21.153 14.199 0.907 1.00 94.01 29 A 1 ATOM 233 C CG . TYR A 1 29 ? 19.840 13.713 0.316 1.00 94.46 29 A 1 ATOM 234 C CD1 . TYR A 1 29 ? 18.915 14.635 -0.217 1.00 90.44 29 A 1 ATOM 235 C CD2 . TYR A 1 29 ? 19.538 12.341 0.304 1.00 91.07 29 A 1 ATOM 236 C CE1 . TYR A 1 29 ? 17.688 14.183 -0.747 1.00 90.52 29 A 1 ATOM 237 C CE2 . TYR A 1 29 ? 18.315 11.884 -0.236 1.00 90.93 29 A 1 ATOM 238 C CZ . TYR A 1 29 ? 17.385 12.806 -0.761 1.00 92.88 29 A 1 ATOM 239 O OH . TYR A 1 29 ? 16.208 12.360 -1.280 1.00 91.59 29 A 1 ATOM 240 N N . ALA A 1 30 ? 23.211 15.002 -1.562 1.00 94.75 30 A 1 ATOM 241 C CA . ALA A 1 30 ? 23.442 15.416 -2.947 1.00 93.95 30 A 1 ATOM 242 C C . ALA A 1 30 ? 24.565 14.635 -3.668 1.00 93.47 30 A 1 ATOM 243 O O . ALA A 1 30 ? 24.841 14.905 -4.840 1.00 91.26 30 A 1 ATOM 244 C CB . ALA A 1 30 ? 23.704 16.927 -2.950 1.00 93.42 30 A 1 ATOM 245 N N . LYS A 1 31 ? 25.243 13.697 -3.008 1.00 94.23 31 A 1 ATOM 246 C CA . LYS A 1 31 ? 26.307 12.889 -3.627 1.00 92.97 31 A 1 ATOM 247 C C . LYS A 1 31 ? 25.729 11.982 -4.724 1.00 93.04 31 A 1 ATOM 248 O O . LYS A 1 31 ? 24.925 11.097 -4.443 1.00 91.70 31 A 1 ATOM 249 C CB . LYS A 1 31 ? 27.054 12.053 -2.563 1.00 91.29 31 A 1 ATOM 250 C CG . LYS A 1 31 ? 27.919 12.895 -1.607 1.00 87.68 31 A 1 ATOM 251 C CD . LYS A 1 31 ? 28.570 12.002 -0.530 1.00 84.68 31 A 1 ATOM 252 C CE . LYS A 1 31 ? 29.396 12.811 0.476 1.00 80.50 31 A 1 ATOM 253 N NZ . LYS A 1 31 ? 29.973 11.958 1.547 1.00 72.37 31 A 1 ATOM 254 N N . GLU A 1 32 ? 26.225 12.120 -5.957 1.00 92.74 32 A 1 ATOM 255 C CA . GLU A 1 32 ? 25.786 11.323 -7.121 1.00 92.31 32 A 1 ATOM 256 C C . GLU A 1 32 ? 26.068 9.814 -6.985 1.00 92.64 32 A 1 ATOM 257 O O . GLU A 1 32 ? 25.424 8.997 -7.638 1.00 89.00 32 A 1 ATOM 258 C CB . GLU A 1 32 ? 26.471 11.845 -8.394 1.00 90.25 32 A 1 ATOM 259 C CG . GLU A 1 32 ? 26.085 13.296 -8.742 1.00 81.49 32 A 1 ATOM 260 C CD . GLU A 1 32 ? 26.678 13.777 -10.084 1.00 71.99 32 A 1 ATOM 261 O OE1 . GLU A 1 32 ? 26.183 14.805 -10.597 1.00 68.14 32 A 1 ATOM 262 O OE2 . GLU A 1 32 ? 27.627 13.134 -10.591 1.00 66.98 32 A 1 ATOM 263 N N . ASN A 1 33 ? 27.018 9.436 -6.125 1.00 92.23 33 A 1 ATOM 264 C CA . ASN A 1 33 ? 27.388 8.034 -5.888 1.00 91.43 33 A 1 ATOM 265 C C . ASN A 1 33 ? 26.378 7.269 -5.015 1.00 91.96 33 A 1 ATOM 266 O O . ASN A 1 33 ? 26.547 6.067 -4.814 1.00 89.23 33 A 1 ATOM 267 C CB . ASN A 1 33 ? 28.786 8.001 -5.249 1.00 88.89 33 A 1 ATOM 268 C CG . ASN A 1 33 ? 29.878 8.533 -6.165 1.00 80.30 33 A 1 ATOM 269 O OD1 . ASN A 1 33 ? 29.837 8.429 -7.378 1.00 70.01 33 A 1 ATOM 270 N ND2 . ASN A 1 33 ? 30.916 9.107 -5.602 1.00 71.54 33 A 1 ATOM 271 N N . LYS A 1 34 ? 25.369 7.957 -4.458 1.00 91.28 34 A 1 ATOM 272 C CA . LYS A 1 34 ? 24.389 7.351 -3.556 1.00 91.77 34 A 1 ATOM 273 C C . LYS A 1 34 ? 22.996 7.435 -4.146 1.00 92.24 34 A 1 ATOM 274 O O . LYS A 1 34 ? 22.541 8.503 -4.537 1.00 89.98 34 A 1 ATOM 275 C CB . LYS A 1 34 ? 24.461 7.994 -2.169 1.00 91.20 34 A 1 ATOM 276 C CG . LYS A 1 34 ? 25.825 7.697 -1.535 1.00 90.07 34 A 1 ATOM 277 C CD . LYS A 1 34 ? 25.789 7.886 -0.028 1.00 86.03 34 A 1 ATOM 278 C CE . LYS A 1 34 ? 27.162 7.521 0.511 1.00 83.39 34 A 1 ATOM 279 N NZ . LYS A 1 34 ? 27.060 6.983 1.872 1.00 76.49 34 A 1 ATOM 280 N N . ASN A 1 35 ? 22.320 6.295 -4.199 1.00 93.23 35 A 1 ATOM 281 C CA . ASN A 1 35 ? 20.979 6.198 -4.744 1.00 92.78 35 A 1 ATOM 282 C C . ASN A 1 35 ? 19.987 5.737 -3.668 1.00 94.12 35 A 1 ATOM 283 O O . ASN A 1 35 ? 20.307 4.924 -2.802 1.00 93.28 35 A 1 ATOM 284 C CB . ASN A 1 35 ? 21.021 5.284 -5.984 1.00 89.75 35 A 1 ATOM 285 C CG . ASN A 1 35 ? 19.765 5.341 -6.835 1.00 85.92 35 A 1 ATOM 286 O OD1 . ASN A 1 35 ? 18.754 5.939 -6.492 1.00 74.73 35 A 1 ATOM 287 N ND2 . ASN A 1 35 ? 19.781 4.708 -7.984 1.00 75.78 35 A 1 ATOM 288 N N . LEU A 1 36 ? 18.763 6.225 -3.764 1.00 92.85 36 A 1 ATOM 289 C CA . LEU A 1 36 ? 17.669 5.827 -2.885 1.00 93.68 36 A 1 ATOM 290 C C . LEU A 1 36 ? 17.353 4.323 -2.994 1.00 93.92 36 A 1 ATOM 291 O O . LEU A 1 36 ? 16.989 3.699 -2.004 1.00 93.35 36 A 1 ATOM 292 C CB . LEU A 1 36 ? 16.453 6.691 -3.244 1.00 93.39 36 A 1 ATOM 293 C CG . LEU A 1 36 ? 15.269 6.531 -2.280 1.00 90.77 36 A 1 ATOM 294 C CD1 . LEU A 1 36 ? 15.582 7.054 -0.876 1.00 86.16 36 A 1 ATOM 295 C CD2 . LEU A 1 36 ? 14.089 7.335 -2.818 1.00 86.33 36 A 1 ATOM 296 N N . ASP A 1 37 ? 17.526 3.724 -4.174 1.00 92.95 37 A 1 ATOM 297 C CA . ASP A 1 37 ? 17.311 2.284 -4.365 1.00 92.36 37 A 1 ATOM 298 C C . ASP A 1 37 ? 18.347 1.437 -3.610 1.00 93.10 37 A 1 ATOM 299 O O . ASP A 1 37 ? 17.999 0.415 -3.007 1.00 92.35 37 A 1 ATOM 300 C CB . ASP A 1 37 ? 17.305 1.955 -5.872 1.00 90.42 37 A 1 ATOM 301 C CG . ASP A 1 37 ? 16.051 2.505 -6.559 1.00 85.56 37 A 1 ATOM 302 O OD1 . ASP A 1 37 ? 14.935 2.326 -6.013 1.00 80.87 37 A 1 ATOM 303 O OD2 . ASP A 1 37 ? 16.133 3.197 -7.598 1.00 79.13 37 A 1 ATOM 304 N N . ASP A 1 38 ? 19.602 1.897 -3.574 1.00 92.48 38 A 1 ATOM 305 C CA . ASP A 1 38 ? 20.676 1.244 -2.826 1.00 92.74 38 A 1 ATOM 306 C C . ASP A 1 38 ? 20.504 1.459 -1.318 1.00 93.64 38 A 1 ATOM 307 O O . ASP A 1 38 ? 20.696 0.527 -0.535 1.00 93.16 38 A 1 ATOM 308 C CB . ASP A 1 38 ? 22.040 1.764 -3.301 1.00 91.90 38 A 1 ATOM 309 C CG . ASP A 1 38 ? 22.353 1.445 -4.767 1.00 89.45 38 A 1 ATOM 310 O OD1 . ASP A 1 38 ? 21.843 0.420 -5.276 1.00 85.07 38 A 1 ATOM 311 O OD2 . ASP A 1 38 ? 23.093 2.252 -5.375 1.00 84.54 38 A 1 ATOM 312 N N . CYS A 1 39 ? 20.043 2.638 -0.904 1.00 93.28 39 A 1 ATOM 313 C CA . CYS A 1 39 ? 19.670 2.927 0.483 1.00 94.08 39 A 1 ATOM 314 C C . CYS A 1 39 ? 18.595 1.946 0.983 1.00 93.91 39 A 1 ATOM 315 O O . CYS A 1 39 ? 18.743 1.327 2.041 1.00 93.45 39 A 1 ATOM 316 C CB . CYS A 1 39 ? 19.190 4.386 0.560 1.00 94.76 39 A 1 ATOM 317 S SG . CYS A 1 39 ? 18.721 4.808 2.260 1.00 94.28 39 A 1 ATOM 318 N N . ILE A 1 40 ? 17.553 1.731 0.189 1.00 94.07 40 A 1 ATOM 319 C CA . ILE A 1 40 ? 16.498 0.765 0.520 1.00 93.50 40 A 1 ATOM 320 C C . ILE A 1 40 ? 17.059 -0.655 0.578 1.00 93.61 40 A 1 ATOM 321 O O . ILE A 1 40 ? 16.748 -1.400 1.506 1.00 93.16 40 A 1 ATOM 322 C CB . ILE A 1 40 ? 15.343 0.882 -0.492 1.00 92.64 40 A 1 ATOM 323 C CG1 . ILE A 1 40 ? 14.643 2.244 -0.293 1.00 90.60 40 A 1 ATOM 324 C CG2 . ILE A 1 40 ? 14.320 -0.260 -0.329 1.00 90.01 40 A 1 ATOM 325 C CD1 . ILE A 1 40 ? 13.774 2.626 -1.483 1.00 80.25 40 A 1 ATOM 326 N N . THR A 1 41 ? 17.914 -1.024 -0.378 1.00 92.85 41 A 1 ATOM 327 C CA . THR A 1 41 ? 18.557 -2.345 -0.401 1.00 92.47 41 A 1 ATOM 328 C C . THR A 1 41 ? 19.406 -2.564 0.851 1.00 92.65 41 A 1 ATOM 329 O O . THR A 1 41 ? 19.325 -3.631 1.466 1.00 92.17 41 A 1 ATOM 330 C CB . THR A 1 41 ? 19.400 -2.512 -1.675 1.00 91.81 41 A 1 ATOM 331 O OG1 . THR A 1 41 ? 18.553 -2.385 -2.800 1.00 88.12 41 A 1 ATOM 332 C CG2 . THR A 1 41 ? 20.049 -3.889 -1.773 1.00 87.19 41 A 1 ATOM 333 N N . PHE A 1 42 ? 20.155 -1.546 1.282 1.00 92.95 42 A 1 ATOM 334 C CA . PHE A 1 42 ? 20.915 -1.561 2.527 1.00 93.57 42 A 1 ATOM 335 C C . PHE A 1 42 ? 20.007 -1.768 3.747 1.00 93.84 42 A 1 ATOM 336 O O . PHE A 1 42 ? 20.236 -2.697 4.522 1.00 93.62 42 A 1 ATOM 337 C CB . PHE A 1 42 ? 21.726 -0.264 2.638 1.00 94.27 42 A 1 ATOM 338 C CG . PHE A 1 42 ? 22.378 -0.091 3.990 1.00 94.46 42 A 1 ATOM 339 C CD1 . PHE A 1 42 ? 21.839 0.814 4.926 1.00 92.35 42 A 1 ATOM 340 C CD2 . PHE A 1 42 ? 23.497 -0.872 4.332 1.00 93.30 42 A 1 ATOM 341 C CE1 . PHE A 1 42 ? 22.427 0.940 6.195 1.00 93.08 42 A 1 ATOM 342 C CE2 . PHE A 1 42 ? 24.084 -0.744 5.600 1.00 93.36 42 A 1 ATOM 343 C CZ . PHE A 1 42 ? 23.549 0.163 6.530 1.00 93.87 42 A 1 ATOM 344 N N . ILE A 1 43 ? 18.940 -0.974 3.874 1.00 93.95 43 A 1 ATOM 345 C CA . ILE A 1 43 ? 17.981 -1.098 4.983 1.00 93.72 43 A 1 ATOM 346 C C . ILE A 1 43 ? 17.391 -2.514 5.025 1.00 93.40 43 A 1 ATOM 347 O O . ILE A 1 43 ? 17.383 -3.149 6.078 1.00 92.59 43 A 1 ATOM 348 C CB . ILE A 1 43 ? 16.876 -0.020 4.872 1.00 93.95 43 A 1 ATOM 349 C CG1 . ILE A 1 43 ? 17.469 1.392 5.087 1.00 93.49 43 A 1 ATOM 350 C CG2 . ILE A 1 43 ? 15.752 -0.266 5.899 1.00 93.40 43 A 1 ATOM 351 C CD1 . ILE A 1 43 ? 16.543 2.522 4.621 1.00 91.91 43 A 1 ATOM 352 N N . LEU A 1 44 ? 16.963 -3.057 3.882 1.00 93.41 44 A 1 ATOM 353 C CA . LEU A 1 44 ? 16.386 -4.402 3.811 1.00 92.46 44 A 1 ATOM 354 C C . LEU A 1 44 ? 17.392 -5.496 4.205 1.00 92.45 44 A 1 ATOM 355 O O . LEU A 1 44 ? 17.015 -6.467 4.869 1.00 91.72 44 A 1 ATOM 356 C CB . LEU A 1 44 ? 15.849 -4.650 2.394 1.00 91.48 44 A 1 ATOM 357 C CG . LEU A 1 44 ? 14.638 -3.786 1.993 1.00 89.75 44 A 1 ATOM 358 C CD1 . LEU A 1 44 ? 14.268 -4.090 0.538 1.00 86.34 44 A 1 ATOM 359 C CD2 . LEU A 1 44 ? 13.421 -4.018 2.879 1.00 86.48 44 A 1 ATOM 360 N N . ASN A 1 45 ? 18.667 -5.340 3.822 1.00 92.15 45 A 1 ATOM 361 C CA . ASN A 1 45 ? 19.728 -6.252 4.241 1.00 92.07 45 A 1 ATOM 362 C C . ASN A 1 45 ? 19.990 -6.170 5.750 1.00 92.13 45 A 1 ATOM 363 O O . ASN A 1 45 ? 20.133 -7.214 6.391 1.00 91.37 45 A 1 ATOM 364 C CB . ASN A 1 45 ? 20.998 -5.996 3.414 1.00 92.43 45 A 1 ATOM 365 C CG . ASN A 1 45 ? 20.943 -6.704 2.074 1.00 91.11 45 A 1 ATOM 366 O OD1 . ASN A 1 45 ? 20.854 -7.923 1.994 1.00 82.46 45 A 1 ATOM 367 N ND2 . ASN A 1 45 ? 20.984 -5.984 0.983 1.00 82.03 45 A 1 ATOM 368 N N . GLN A 1 46 ? 19.969 -4.972 6.333 1.00 92.33 46 A 1 ATOM 369 C CA . GLN A 1 46 ? 20.111 -4.791 7.781 1.00 92.21 46 A 1 ATOM 370 C C . GLN A 1 46 ? 18.940 -5.408 8.556 1.00 92.19 46 A 1 ATOM 371 O O . GLN A 1 46 ? 19.159 -6.136 9.527 1.00 91.07 46 A 1 ATOM 372 C CB . GLN A 1 46 ? 20.262 -3.299 8.117 1.00 92.56 46 A 1 ATOM 373 C CG . GLN A 1 46 ? 21.594 -2.700 7.631 1.00 88.31 46 A 1 ATOM 374 C CD . GLN A 1 46 ? 22.824 -3.369 8.240 1.00 86.18 46 A 1 ATOM 375 O OE1 . GLN A 1 46 ? 22.793 -3.991 9.288 1.00 79.35 46 A 1 ATOM 376 N NE2 . GLN A 1 46 ? 23.966 -3.278 7.593 1.00 75.96 46 A 1 ATOM 377 N N . VAL A 1 47 ? 17.709 -5.215 8.086 1.00 92.97 47 A 1 ATOM 378 C CA . VAL A 1 47 ? 16.518 -5.858 8.676 1.00 92.36 47 A 1 ATOM 379 C C . VAL A 1 47 ? 16.651 -7.383 8.637 1.00 92.75 47 A 1 ATOM 380 O O . VAL A 1 47 ? 16.420 -8.062 9.638 1.00 92.08 47 A 1 ATOM 381 C CB . VAL A 1 47 ? 15.232 -5.415 7.948 1.00 91.44 47 A 1 ATOM 382 C CG1 . VAL A 1 47 ? 13.988 -6.142 8.490 1.00 88.83 47 A 1 ATOM 383 C CG2 . VAL A 1 47 ? 14.969 -3.918 8.097 1.00 89.19 47 A 1 ATOM 384 N N . LYS A 1 48 ? 17.084 -7.935 7.499 1.00 91.01 48 A 1 ATOM 385 C CA . LYS A 1 48 ? 17.304 -9.379 7.359 1.00 90.16 48 A 1 ATOM 386 C C . LYS A 1 48 ? 18.413 -9.892 8.281 1.00 90.22 48 A 1 ATOM 387 O O . LYS A 1 48 ? 18.269 -10.971 8.852 1.00 89.27 48 A 1 ATOM 388 C CB . LYS A 1 48 ? 17.603 -9.685 5.888 1.00 89.15 48 A 1 ATOM 389 C CG . LYS A 1 48 ? 17.724 -11.192 5.628 1.00 83.69 48 A 1 ATOM 390 C CD . LYS A 1 48 ? 18.067 -11.413 4.156 1.00 80.74 48 A 1 ATOM 391 C CE . LYS A 1 48 ? 18.257 -12.898 3.855 1.00 72.79 48 A 1 ATOM 392 N NZ . LYS A 1 48 ? 18.713 -13.077 2.456 1.00 67.22 48 A 1 ATOM 393 N N . ALA A 1 49 ? 19.509 -9.134 8.415 1.00 91.72 49 A 1 ATOM 394 C CA . ALA A 1 49 ? 20.623 -9.489 9.293 1.00 91.52 49 A 1 ATOM 395 C C . ALA A 1 49 ? 20.229 -9.449 10.778 1.00 91.41 49 A 1 ATOM 396 O O . ALA A 1 49 ? 20.682 -10.294 11.549 1.00 88.75 49 A 1 ATOM 397 C CB . ALA A 1 49 ? 21.799 -8.551 8.990 1.00 90.96 49 A 1 ATOM 398 N N . SER A 1 50 ? 19.344 -8.529 11.168 1.00 92.64 50 A 1 ATOM 399 C CA . SER A 1 50 ? 18.834 -8.436 12.545 1.00 91.68 50 A 1 ATOM 400 C C . SER A 1 50 ? 17.905 -9.594 12.935 1.00 91.83 50 A 1 ATOM 401 O O . SER A 1 50 ? 17.692 -9.846 14.120 1.00 88.42 50 A 1 ATOM 402 C CB . SER A 1 50 ? 18.124 -7.093 12.747 1.00 90.87 50 A 1 ATOM 403 O OG . SER A 1 50 ? 16.851 -7.077 12.132 1.00 84.62 50 A 1 ATOM 404 N N . GLY A 1 51 ? 17.342 -10.317 11.948 1.00 91.73 51 A 1 ATOM 405 C CA . GLY A 1 51 ? 16.364 -11.384 12.181 1.00 91.10 51 A 1 ATOM 406 C C . GLY A 1 51 ? 15.000 -10.893 12.682 1.00 91.26 51 A 1 ATOM 407 O O . GLY A 1 51 ? 14.134 -11.710 13.001 1.00 87.26 51 A 1 ATOM 408 N N . CYS A 1 52 ? 14.783 -9.574 12.738 1.00 88.32 52 A 1 ATOM 409 C CA . CYS A 1 52 ? 13.526 -8.966 13.156 1.00 87.19 52 A 1 ATOM 410 C C . CYS A 1 52 ? 12.579 -8.801 11.958 1.00 86.16 52 A 1 ATOM 411 O O . CYS A 1 52 ? 12.981 -8.396 10.871 1.00 80.94 52 A 1 ATOM 412 C CB . CYS A 1 52 ? 13.813 -7.631 13.851 1.00 83.91 52 A 1 ATOM 413 S SG . CYS A 1 52 ? 14.694 -7.936 15.419 1.00 72.13 52 A 1 ATOM 414 N N . CYS A 1 53 ? 11.292 -9.094 12.155 1.00 84.92 53 A 1 ATOM 415 C CA . CYS A 1 53 ? 10.266 -8.916 11.117 1.00 84.04 53 A 1 ATOM 416 C C . CYS A 1 53 ? 9.653 -7.503 11.079 1.00 84.07 53 A 1 ATOM 417 O O . CYS A 1 53 ? 8.810 -7.229 10.223 1.00 78.48 53 A 1 ATOM 418 C CB . CYS A 1 53 ? 9.171 -9.974 11.308 1.00 79.97 53 A 1 ATOM 419 S SG . CYS A 1 53 ? 9.842 -11.643 11.050 1.00 70.49 53 A 1 ATOM 420 N N . GLY A 1 54 ? 10.045 -6.617 11.995 1.00 86.82 54 A 1 ATOM 421 C CA . GLY A 1 54 ? 9.563 -5.241 12.078 1.00 86.82 54 A 1 ATOM 422 C C . GLY A 1 54 ? 10.561 -4.352 12.807 1.00 88.34 54 A 1 ATOM 423 O O . GLY A 1 54 ? 11.250 -4.822 13.710 1.00 86.09 54 A 1 ATOM 424 N N . MET A 1 55 ? 10.636 -3.097 12.392 1.00 88.81 55 A 1 ATOM 425 C CA . MET A 1 55 ? 11.456 -2.047 12.992 1.00 89.80 55 A 1 ATOM 426 C C . MET A 1 55 ? 10.589 -0.815 13.238 1.00 90.47 55 A 1 ATOM 427 O O . MET A 1 55 ? 9.560 -0.628 12.579 1.00 88.85 55 A 1 ATOM 428 C CB . MET A 1 55 ? 12.657 -1.709 12.093 1.00 88.72 55 A 1 ATOM 429 C CG . MET A 1 55 ? 13.662 -2.863 12.041 1.00 82.69 55 A 1 ATOM 430 S SD . MET A 1 55 ? 15.152 -2.547 11.056 1.00 79.30 55 A 1 ATOM 431 C CE . MET A 1 55 ? 16.056 -1.465 12.191 1.00 68.94 55 A 1 ATOM 432 N N . THR A 1 56 ? 11.010 0.015 14.194 1.00 93.15 56 A 1 ATOM 433 C CA . THR A 1 56 ? 10.400 1.322 14.434 1.00 93.70 56 A 1 ATOM 434 C C . THR A 1 56 ? 10.797 2.311 13.336 1.00 94.16 56 A 1 ATOM 435 O O . THR A 1 56 ? 11.850 2.173 12.713 1.00 93.74 56 A 1 ATOM 436 C CB . THR A 1 56 ? 10.775 1.870 15.818 1.00 93.17 56 A 1 ATOM 437 O OG1 . THR A 1 56 ? 12.168 2.022 15.930 1.00 89.12 56 A 1 ATOM 438 C CG2 . THR A 1 56 ? 10.318 0.952 16.952 1.00 87.82 56 A 1 ATOM 439 N N . ASP A 1 57 ? 9.973 3.327 13.103 1.00 94.21 57 A 1 ATOM 440 C CA . ASP A 1 57 ? 10.262 4.356 12.099 1.00 94.44 57 A 1 ATOM 441 C C . ASP A 1 57 ? 11.605 5.049 12.388 1.00 95.43 57 A 1 ATOM 442 O O . ASP A 1 57 ? 12.417 5.224 11.481 1.00 95.11 57 A 1 ATOM 443 C CB . ASP A 1 57 ? 9.104 5.372 12.037 1.00 92.21 57 A 1 ATOM 444 C CG . ASP A 1 57 ? 7.774 4.789 11.518 1.00 87.62 57 A 1 ATOM 445 O OD1 . ASP A 1 57 ? 7.787 3.684 10.924 1.00 83.19 57 A 1 ATOM 446 O OD2 . ASP A 1 57 ? 6.729 5.452 11.709 1.00 82.15 57 A 1 ATOM 447 N N . ASP A 1 58 ? 11.910 5.335 13.664 1.00 94.94 58 A 1 ATOM 448 C CA . ASP A 1 58 ? 13.172 5.955 14.085 1.00 95.49 58 A 1 ATOM 449 C C . ASP A 1 58 ? 14.407 5.103 13.742 1.00 96.15 58 A 1 ATOM 450 O O . ASP A 1 58 ? 15.446 5.637 13.343 1.00 95.65 58 A 1 ATOM 451 C CB . ASP A 1 58 ? 13.146 6.210 15.600 1.00 94.49 58 A 1 ATOM 452 C CG . ASP A 1 58 ? 12.144 7.285 16.034 1.00 88.39 58 A 1 ATOM 453 O OD1 . ASP A 1 58 ? 11.852 8.191 15.221 1.00 82.68 58 A 1 ATOM 454 O OD2 . ASP A 1 58 ? 11.695 7.204 17.201 1.00 82.76 58 A 1 ATOM 455 N N . GLU A 1 59 ? 14.315 3.775 13.863 1.00 94.93 59 A 1 ATOM 456 C CA . GLU A 1 59 ? 15.395 2.859 13.476 1.00 94.94 59 A 1 ATOM 457 C C . GLU A 1 59 ? 15.604 2.864 11.956 1.00 95.44 59 A 1 ATOM 458 O O . GLU A 1 59 ? 16.745 2.910 11.489 1.00 94.76 59 A 1 ATOM 459 C CB . GLU A 1 59 ? 15.077 1.435 13.954 1.00 94.27 59 A 1 ATOM 460 C CG . GLU A 1 59 ? 15.225 1.260 15.475 1.00 90.73 59 A 1 ATOM 461 C CD . GLU A 1 59 ? 14.610 -0.064 15.972 1.00 88.44 59 A 1 ATOM 462 O OE1 . GLU A 1 59 ? 15.209 -0.694 16.868 1.00 80.05 59 A 1 ATOM 463 O OE2 . GLU A 1 59 ? 13.507 -0.418 15.482 1.00 81.40 59 A 1 ATOM 464 N N . VAL A 1 60 ? 14.516 2.870 11.175 1.00 95.14 60 A 1 ATOM 465 C CA . VAL A 1 60 ? 14.574 2.957 9.709 1.00 95.37 60 A 1 ATOM 466 C C . VAL A 1 60 ? 15.180 4.292 9.271 1.00 96.03 60 A 1 ATOM 467 O O . VAL A 1 60 ? 16.058 4.314 8.405 1.00 95.74 60 A 1 ATOM 468 C CB . VAL A 1 60 ? 13.178 2.743 9.092 1.00 94.22 60 A 1 ATOM 469 C CG1 . VAL A 1 60 ? 13.193 2.904 7.566 1.00 92.50 60 A 1 ATOM 470 C CG2 . VAL A 1 60 ? 12.658 1.331 9.389 1.00 92.51 60 A 1 ATOM 471 N N . TRP A 1 61 ? 14.773 5.403 9.894 1.00 96.22 61 A 1 ATOM 472 C CA . TRP A 1 61 ? 15.338 6.727 9.616 1.00 96.08 61 A 1 ATOM 473 C C . TRP A 1 61 ? 16.819 6.803 9.962 1.00 96.45 61 A 1 ATOM 474 O O . TRP A 1 61 ? 17.608 7.321 9.173 1.00 95.84 61 A 1 ATOM 475 C CB . TRP A 1 61 ? 14.567 7.809 10.385 1.00 94.98 61 A 1 ATOM 476 C CG . TRP A 1 61 ? 13.082 7.860 10.157 1.00 93.71 61 A 1 ATOM 477 C CD1 . TRP A 1 61 ? 12.168 8.179 11.101 1.00 87.03 61 A 1 ATOM 478 C CD2 . TRP A 1 61 ? 12.314 7.562 8.945 1.00 89.81 61 A 1 ATOM 479 N NE1 . TRP A 1 61 ? 10.899 8.085 10.568 1.00 86.82 61 A 1 ATOM 480 C CE2 . TRP A 1 61 ? 10.929 7.702 9.247 1.00 89.61 61 A 1 ATOM 481 C CE3 . TRP A 1 61 ? 12.647 7.174 7.630 1.00 85.81 61 A 1 ATOM 482 C CZ2 . TRP A 1 61 ? 9.926 7.464 8.297 1.00 86.82 61 A 1 ATOM 483 C CZ3 . TRP A 1 61 ? 11.644 6.930 6.667 1.00 80.24 61 A 1 ATOM 484 C CH2 . TRP A 1 61 ? 10.293 7.071 7.001 1.00 81.41 61 A 1 ATOM 485 N N . SER A 1 62 ? 17.227 6.227 11.097 1.00 96.51 62 A 1 ATOM 486 C CA . SER A 1 62 ? 18.631 6.178 11.513 1.00 96.37 62 A 1 ATOM 487 C C . SER A 1 62 ? 19.489 5.396 10.514 1.00 96.45 62 A 1 ATOM 488 O O . SER A 1 62 ? 20.571 5.849 10.151 1.00 95.83 62 A 1 ATOM 489 C CB . SER A 1 62 ? 18.757 5.558 12.906 1.00 95.65 62 A 1 ATOM 490 O OG . SER A 1 62 ? 18.047 6.326 13.857 1.00 84.22 62 A 1 ATOM 491 N N . LEU A 1 63 ? 19.000 4.260 10.006 1.00 95.54 63 A 1 ATOM 492 C CA . LEU A 1 63 ? 19.688 3.484 8.967 1.00 95.54 63 A 1 ATOM 493 C C . LEU A 1 63 ? 19.779 4.242 7.636 1.00 96.10 63 A 1 ATOM 494 O O . LEU A 1 63 ? 20.816 4.190 6.977 1.00 95.63 63 A 1 ATOM 495 C CB . LEU A 1 63 ? 18.959 2.145 8.759 1.00 95.05 63 A 1 ATOM 496 C CG . LEU A 1 63 ? 19.138 1.126 9.897 1.00 93.34 63 A 1 ATOM 497 C CD1 . LEU A 1 63 ? 18.230 -0.078 9.633 1.00 90.12 63 A 1 ATOM 498 C CD2 . LEU A 1 63 ? 20.579 0.616 10.004 1.00 89.77 63 A 1 ATOM 499 N N . ALA A 1 64 ? 18.724 4.957 7.248 1.00 95.94 64 A 1 ATOM 500 C CA . ALA A 1 64 ? 18.729 5.768 6.033 1.00 95.95 64 A 1 ATOM 501 C C . ALA A 1 64 ? 19.767 6.900 6.115 1.00 95.91 64 A 1 ATOM 502 O O . ALA A 1 64 ? 20.564 7.064 5.194 1.00 95.25 64 A 1 ATOM 503 C CB . ALA A 1 64 ? 17.312 6.296 5.782 1.00 95.73 64 A 1 ATOM 504 N N . ILE A 1 65 ? 19.817 7.632 7.233 1.00 96.14 65 A 1 ATOM 505 C CA . ILE A 1 65 ? 20.819 8.684 7.470 1.00 95.86 65 A 1 ATOM 506 C C . ILE A 1 65 ? 22.224 8.082 7.458 1.00 95.66 65 A 1 ATOM 507 O O . ILE A 1 65 ? 23.085 8.569 6.735 1.00 94.68 65 A 1 ATOM 508 C CB . ILE A 1 65 ? 20.523 9.429 8.791 1.00 95.43 65 A 1 ATOM 509 C CG1 . ILE A 1 65 ? 19.210 10.238 8.663 1.00 93.82 65 A 1 ATOM 510 C CG2 . ILE A 1 65 ? 21.680 10.375 9.167 1.00 93.44 65 A 1 ATOM 511 C CD1 . ILE A 1 65 ? 18.671 10.733 10.011 1.00 86.35 65 A 1 ATOM 512 N N . HIS A 1 66 ? 22.433 6.985 8.180 1.00 95.10 66 A 1 ATOM 513 C CA . HIS A 1 66 ? 23.727 6.300 8.239 1.00 94.87 66 A 1 ATOM 514 C C . HIS A 1 66 ? 24.236 5.880 6.851 1.00 94.96 66 A 1 ATOM 515 O O . HIS A 1 66 ? 25.418 6.027 6.556 1.00 93.89 66 A 1 ATOM 516 C CB . HIS A 1 66 ? 23.583 5.086 9.161 1.00 93.94 66 A 1 ATOM 517 C CG . HIS A 1 66 ? 24.864 4.324 9.362 1.00 91.95 66 A 1 ATOM 518 N ND1 . HIS A 1 66 ? 25.192 3.120 8.785 1.00 80.04 66 A 1 ATOM 519 C CD2 . HIS A 1 66 ? 25.904 4.684 10.167 1.00 80.84 66 A 1 ATOM 520 C CE1 . HIS A 1 66 ? 26.411 2.764 9.238 1.00 82.76 66 A 1 ATOM 521 N NE2 . HIS A 1 66 ? 26.874 3.683 10.087 1.00 85.75 66 A 1 ATOM 522 N N . TYR A 1 67 ? 23.349 5.417 5.963 1.00 94.84 67 A 1 ATOM 523 C CA . TYR A 1 67 ? 23.715 5.124 4.577 1.00 94.75 67 A 1 ATOM 524 C C . TYR A 1 67 ? 24.254 6.368 3.854 1.00 94.74 67 A 1 ATOM 525 O O . TYR A 1 67 ? 25.253 6.274 3.146 1.00 93.90 67 A 1 ATOM 526 C CB . TYR A 1 67 ? 22.518 4.523 3.832 1.00 94.75 67 A 1 ATOM 527 C CG . TYR A 1 67 ? 22.766 4.359 2.343 1.00 94.61 67 A 1 ATOM 528 C CD1 . TYR A 1 67 ? 22.333 5.356 1.445 1.00 91.78 67 A 1 ATOM 529 C CD2 . TYR A 1 67 ? 23.481 3.250 1.859 1.00 92.45 67 A 1 ATOM 530 C CE1 . TYR A 1 67 ? 22.623 5.249 0.071 1.00 91.97 67 A 1 ATOM 531 C CE2 . TYR A 1 67 ? 23.775 3.138 0.482 1.00 92.28 67 A 1 ATOM 532 C CZ . TYR A 1 67 ? 23.348 4.144 -0.411 1.00 93.13 67 A 1 ATOM 533 O OH . TYR A 1 67 ? 23.649 4.055 -1.735 1.00 91.63 67 A 1 ATOM 534 N N . TYR A 1 68 ? 23.636 7.535 4.019 1.00 95.41 68 A 1 ATOM 535 C CA . TYR A 1 68 ? 24.091 8.753 3.333 1.00 95.04 68 A 1 ATOM 536 C C . TYR A 1 68 ? 25.335 9.386 3.972 1.00 94.53 68 A 1 ATOM 537 O O . TYR A 1 68 ? 26.163 9.934 3.239 1.00 92.68 68 A 1 ATOM 538 C CB . TYR A 1 68 ? 22.938 9.754 3.197 1.00 95.05 68 A 1 ATOM 539 C CG . TYR A 1 68 ? 21.984 9.399 2.067 1.00 95.40 68 A 1 ATOM 540 C CD1 . TYR A 1 68 ? 22.322 9.702 0.732 1.00 92.83 68 A 1 ATOM 541 C CD2 . TYR A 1 68 ? 20.775 8.744 2.345 1.00 93.32 68 A 1 ATOM 542 C CE1 . TYR A 1 68 ? 21.455 9.348 -0.319 1.00 92.69 68 A 1 ATOM 543 C CE2 . TYR A 1 68 ? 19.904 8.385 1.298 1.00 93.27 68 A 1 ATOM 544 C CZ . TYR A 1 68 ? 20.242 8.685 -0.035 1.00 94.10 68 A 1 ATOM 545 O OH . TYR A 1 68 ? 19.398 8.328 -1.043 1.00 92.98 68 A 1 ATOM 546 N N . ASP A 1 69 ? 25.529 9.266 5.285 1.00 94.52 69 A 1 ATOM 547 C CA . ASP A 1 69 ? 26.693 9.817 5.991 1.00 93.60 69 A 1 ATOM 548 C C . ASP A 1 69 ? 27.973 9.010 5.727 1.00 93.39 69 A 1 ATOM 549 O O . ASP A 1 69 ? 29.032 9.586 5.477 1.00 90.97 69 A 1 ATOM 550 C CB . ASP A 1 69 ? 26.388 9.908 7.494 1.00 91.78 69 A 1 ATOM 551 C CG . ASP A 1 69 ? 25.449 11.068 7.872 1.00 85.75 69 A 1 ATOM 552 O OD1 . ASP A 1 69 ? 25.301 12.014 7.060 1.00 79.88 69 A 1 ATOM 553 O OD2 . ASP A 1 69 ? 24.922 11.029 9.007 1.00 80.31 69 A 1 ATOM 554 N N . GLU A 1 70 ? 27.898 7.685 5.692 1.00 92.32 70 A 1 ATOM 555 C CA . GLU A 1 70 ? 29.058 6.804 5.519 1.00 91.27 70 A 1 ATOM 556 C C . GLU A 1 70 ? 29.358 6.530 4.036 1.00 91.07 70 A 1 ATOM 557 O O . GLU A 1 70 ? 28.572 5.896 3.334 1.00 88.77 70 A 1 ATOM 558 C CB . GLU A 1 70 ? 28.829 5.480 6.257 1.00 88.88 70 A 1 ATOM 559 C CG . GLU A 1 70 ? 28.897 5.623 7.788 1.00 80.37 70 A 1 ATOM 560 C CD . GLU A 1 70 ? 30.319 5.885 8.322 1.00 77.35 70 A 1 ATOM 561 O OE1 . GLU A 1 70 ? 30.429 6.234 9.519 1.00 69.37 70 A 1 ATOM 562 O OE2 . GLU A 1 70 ? 31.293 5.691 7.554 1.00 67.88 70 A 1 ATOM 563 N N . ASP A 1 71 ? 30.537 6.950 3.539 1.00 90.89 71 A 1 ATOM 564 C CA . ASP A 1 71 ? 30.909 6.773 2.121 1.00 89.62 71 A 1 ATOM 565 C C . ASP A 1 71 ? 31.296 5.331 1.751 1.00 89.60 71 A 1 ATOM 566 O O . ASP A 1 71 ? 31.183 4.940 0.588 1.00 83.94 71 A 1 ATOM 567 C CB . ASP A 1 71 ? 32.032 7.762 1.754 1.00 86.13 71 A 1 ATOM 568 C CG . ASP A 1 71 ? 31.518 9.198 1.622 1.00 80.79 71 A 1 ATOM 569 O OD1 . ASP A 1 71 ? 30.392 9.394 1.104 1.00 72.40 71 A 1 ATOM 570 O OD2 . ASP A 1 71 ? 32.220 10.164 1.988 1.00 73.82 71 A 1 ATOM 571 N N . ASN A 1 72 ? 31.731 4.538 2.719 1.00 89.58 72 A 1 ATOM 572 C CA . ASN A 1 72 ? 32.210 3.172 2.504 1.00 89.17 72 A 1 ATOM 573 C C . ASN A 1 72 ? 31.271 2.130 3.132 1.00 88.84 72 A 1 ATOM 574 O O . ASN A 1 72 ? 31.679 1.340 3.985 1.00 84.76 72 A 1 ATOM 575 C CB . ASN A 1 72 ? 33.666 3.075 2.987 1.00 86.35 72 A 1 ATOM 576 C CG . ASN A 1 72 ? 34.324 1.781 2.532 1.00 75.72 72 A 1 ATOM 577 O OD1 . ASN A 1 72 ? 34.125 1.284 1.435 1.00 66.93 72 A 1 ATOM 578 N ND2 . ASN A 1 72 ? 35.170 1.203 3.351 1.00 67.62 72 A 1 ATOM 579 N N . ILE A 1 73 ? 30.007 2.159 2.734 1.00 88.12 73 A 1 ATOM 580 C CA . ILE A 1 73 ? 28.993 1.226 3.239 1.00 89.25 73 A 1 ATOM 581 C C . ILE A 1 73 ? 28.744 0.080 2.253 1.00 89.58 73 A 1 ATOM 582 O O . ILE A 1 73 ? 28.650 0.291 1.042 1.00 85.82 73 A 1 ATOM 583 C CB . ILE A 1 73 ? 27.729 2.004 3.643 1.00 87.70 73 A 1 ATOM 584 C CG1 . ILE A 1 73 ? 26.900 1.193 4.649 1.00 79.15 73 A 1 ATOM 585 C CG2 . ILE A 1 73 ? 26.891 2.445 2.431 1.00 77.84 73 A 1 ATOM 586 C CD1 . ILE A 1 73 ? 25.976 2.083 5.478 1.00 74.43 73 A 1 ATOM 587 N N . ASP A 1 74 ? 28.640 -1.146 2.774 1.00 89.36 74 A 1 ATOM 588 C CA . ASP A 1 74 ? 28.263 -2.310 1.971 1.00 89.27 74 A 1 ATOM 589 C C . ASP A 1 74 ? 26.735 -2.380 1.843 1.00 89.43 74 A 1 ATOM 590 O O . ASP A 1 74 ? 26.018 -2.620 2.816 1.00 85.41 74 A 1 ATOM 591 C CB . ASP A 1 74 ? 28.860 -3.600 2.559 1.00 85.90 74 A 1 ATOM 592 C CG . ASP A 1 74 ? 28.634 -4.832 1.667 1.00 74.07 74 A 1 ATOM 593 O OD1 . ASP A 1 74 ? 28.097 -4.677 0.545 1.00 65.95 74 A 1 ATOM 594 O OD2 . ASP A 1 74 ? 29.002 -5.944 2.114 1.00 67.51 74 A 1 ATOM 595 N N . VAL A 1 75 ? 26.248 -2.154 0.626 1.00 87.86 75 A 1 ATOM 596 C CA . VAL A 1 75 ? 24.810 -2.146 0.300 1.00 87.48 75 A 1 ATOM 597 C C . VAL A 1 75 ? 24.225 -3.564 0.341 1.00 86.82 75 A 1 ATOM 598 O O . VAL A 1 75 ? 23.044 -3.756 0.639 1.00 79.36 75 A 1 ATOM 599 C CB . VAL A 1 75 ? 24.595 -1.477 -1.077 1.00 86.03 75 A 1 ATOM 600 C CG1 . VAL A 1 75 ? 23.118 -1.399 -1.466 1.00 79.81 75 A 1 ATOM 601 C CG2 . VAL A 1 75 ? 25.152 -0.044 -1.086 1.00 80.87 75 A 1 ATOM 602 N N . GLY A 1 76 ? 25.060 -4.572 0.076 1.00 87.63 76 A 1 ATOM 603 C CA . GLY A 1 76 ? 24.645 -5.964 -0.031 1.00 86.36 76 A 1 ATOM 604 C C . GLY A 1 76 ? 23.878 -6.286 -1.320 1.00 88.13 76 A 1 ATOM 605 O O . GLY A 1 76 ? 23.838 -5.520 -2.282 1.00 83.62 76 A 1 ATOM 606 N N . ASN A 1 77 ? 23.274 -7.469 -1.368 1.00 87.28 77 A 1 ATOM 607 C CA . ASN A 1 77 ? 22.544 -7.927 -2.555 1.00 87.18 77 A 1 ATOM 608 C C . ASN A 1 77 ? 21.081 -7.451 -2.542 1.00 86.88 77 A 1 ATOM 609 O O . ASN A 1 77 ? 20.453 -7.464 -1.478 1.00 84.63 77 A 1 ATOM 610 C CB . ASN A 1 77 ? 22.628 -9.458 -2.648 1.00 85.15 77 A 1 ATOM 611 C CG . ASN A 1 77 ? 24.038 -9.937 -2.950 1.00 79.95 77 A 1 ATOM 612 O OD1 . ASN A 1 77 ? 24.689 -9.493 -3.877 1.00 71.54 77 A 1 ATOM 613 N ND2 . ASN A 1 77 ? 24.554 -10.877 -2.190 1.00 71.85 77 A 1 ATOM 614 N N . PRO A 1 78 ? 20.499 -7.122 -3.709 1.00 85.88 78 A 1 ATOM 615 C CA . PRO A 1 78 ? 19.091 -6.749 -3.788 1.00 85.96 78 A 1 ATOM 616 C C . PRO A 1 78 ? 18.193 -7.922 -3.373 1.00 86.18 78 A 1 ATOM 617 O O . PRO A 1 78 ? 18.284 -9.029 -3.905 1.00 82.56 78 A 1 ATOM 618 C CB . PRO A 1 78 ? 18.865 -6.305 -5.235 1.00 84.07 78 A 1 ATOM 619 C CG . PRO A 1 78 ? 19.957 -7.031 -6.019 1.00 81.36 78 A 1 ATOM 620 C CD . PRO A 1 78 ? 21.114 -7.098 -5.027 1.00 86.49 78 A 1 ATOM 621 N N . ILE A 1 79 ? 17.303 -7.672 -2.416 1.00 82.43 79 A 1 ATOM 622 C CA . ILE A 1 79 ? 16.368 -8.671 -1.882 1.00 82.39 79 A 1 ATOM 623 C C . ILE A 1 79 ? 14.958 -8.353 -2.381 1.00 81.88 79 A 1 ATOM 624 O O . ILE A 1 79 ? 14.437 -7.258 -2.179 1.00 77.83 79 A 1 ATOM 625 C CB . ILE A 1 79 ? 16.437 -8.750 -0.336 1.00 81.70 79 A 1 ATOM 626 C CG1 . ILE A 1 79 ? 17.881 -9.048 0.143 1.00 74.53 79 A 1 ATOM 627 C CG2 . ILE A 1 79 ? 15.479 -9.842 0.182 1.00 71.95 79 A 1 ATOM 628 C CD1 . ILE A 1 79 ? 18.039 -8.988 1.667 1.00 68.51 79 A 1 ATOM 629 N N . SER A 1 80 ? 14.306 -9.344 -3.004 1.00 81.12 80 A 1 ATOM 630 C CA . SER A 1 80 ? 12.888 -9.240 -3.336 1.00 78.83 80 A 1 ATOM 631 C C . SER A 1 80 ? 12.054 -9.629 -2.114 1.00 77.57 80 A 1 ATOM 632 O O . SER A 1 80 ? 11.845 -10.812 -1.844 1.00 73.82 80 A 1 ATOM 633 C CB . SER A 1 80 ? 12.563 -10.110 -4.551 1.00 76.00 80 A 1 ATOM 634 O OG . SER A 1 80 ? 11.215 -9.908 -4.942 1.00 66.12 80 A 1 ATOM 635 N N . CYS A 1 81 ? 11.585 -8.639 -1.368 1.00 78.65 81 A 1 ATOM 636 C CA . CYS A 1 81 ? 10.674 -8.840 -0.246 1.00 79.30 81 A 1 ATOM 637 C C . CYS A 1 81 ? 9.487 -7.867 -0.317 1.00 79.55 81 A 1 ATOM 638 O O . CYS A 1 81 ? 9.556 -6.797 -0.926 1.00 75.36 81 A 1 ATOM 639 C CB . CYS A 1 81 ? 11.450 -8.768 1.080 1.00 76.35 81 A 1 ATOM 640 S SG . CYS A 1 81 ? 12.209 -7.138 1.302 1.00 70.68 81 A 1 ATOM 641 N N . GLY A 1 82 ? 8.362 -8.275 0.262 1.00 76.26 82 A 1 ATOM 642 C CA . GLY A 1 82 ? 7.200 -7.412 0.419 1.00 76.13 82 A 1 ATOM 643 C C . GLY A 1 82 ? 7.347 -6.570 1.682 1.00 78.05 82 A 1 ATOM 644 O O . GLY A 1 82 ? 7.390 -7.130 2.772 1.00 76.72 82 A 1 ATOM 645 N N . VAL A 1 83 ? 7.404 -5.249 1.529 1.00 77.51 83 A 1 ATOM 646 C CA . VAL A 1 83 ? 7.429 -4.314 2.659 1.00 80.74 83 A 1 ATOM 647 C C . VAL A 1 83 ? 6.011 -3.814 2.912 1.00 80.61 83 A 1 ATOM 648 O O . VAL A 1 83 ? 5.336 -3.347 1.996 1.00 79.06 83 A 1 ATOM 649 C CB . VAL A 1 83 ? 8.416 -3.156 2.421 1.00 81.33 83 A 1 ATOM 650 C CG1 . VAL A 1 83 ? 8.505 -2.256 3.660 1.00 77.01 83 A 1 ATOM 651 C CG2 . VAL A 1 83 ? 9.824 -3.685 2.121 1.00 78.84 83 A 1 ATOM 652 N N . VAL A 1 84 ? 5.554 -3.932 4.157 1.00 78.86 84 A 1 ATOM 653 C CA . VAL A 1 84 ? 4.276 -3.376 4.615 1.00 78.90 84 A 1 ATOM 654 C C . VAL A 1 84 ? 4.586 -2.196 5.524 1.00 78.49 84 A 1 ATOM 655 O O . VAL A 1 84 ? 5.216 -2.369 6.560 1.00 77.05 84 A 1 ATOM 656 C CB . VAL A 1 84 ? 3.411 -4.433 5.330 1.00 78.26 84 A 1 ATOM 657 C CG1 . VAL A 1 84 ? 2.067 -3.837 5.778 1.00 73.25 84 A 1 ATOM 658 C CG2 . VAL A 1 84 ? 3.107 -5.619 4.400 1.00 74.89 84 A 1 ATOM 659 N N . VAL A 1 85 ? 4.156 -1.008 5.118 1.00 77.05 85 A 1 ATOM 660 C CA . VAL A 1 85 ? 4.331 0.221 5.897 1.00 76.77 85 A 1 ATOM 661 C C . VAL A 1 85 ? 3.024 0.509 6.626 1.00 74.99 85 A 1 ATOM 662 O O . VAL A 1 85 ? 1.977 0.632 5.992 1.00 71.99 85 A 1 ATOM 663 C CB . VAL A 1 85 ? 4.767 1.402 5.008 1.00 76.26 85 A 1 ATOM 664 C CG1 . VAL A 1 85 ? 5.177 2.601 5.868 1.00 69.11 85 A 1 ATOM 665 C CG2 . VAL A 1 85 ? 5.969 1.039 4.119 1.00 71.08 85 A 1 ATOM 666 N N . ASN A 1 86 ? 3.074 0.610 7.955 1.00 72.72 86 A 1 ATOM 667 C CA . ASN A 1 86 ? 1.922 0.997 8.773 1.00 71.63 86 A 1 ATOM 668 C C . ASN A 1 86 ? 1.786 2.529 8.843 1.00 71.40 86 A 1 ATOM 669 O O . ASN A 1 86 ? 1.673 3.104 9.916 1.00 66.61 86 A 1 ATOM 670 C CB . ASN A 1 86 ? 2.025 0.315 10.149 1.00 67.18 86 A 1 ATOM 671 C CG . ASN A 1 86 ? 0.751 0.459 10.971 1.00 61.13 86 A 1 ATOM 672 O OD1 . ASN A 1 86 ? -0.336 0.717 10.476 1.00 53.60 86 A 1 ATOM 673 N ND2 . ASN A 1 86 ? 0.838 0.265 12.266 1.00 55.32 86 A 1 ATOM 674 N N . HIS A 1 87 ? 1.856 3.193 7.699 1.00 69.36 87 A 1 ATOM 675 C CA . HIS A 1 87 ? 1.603 4.626 7.622 1.00 69.30 87 A 1 ATOM 676 C C . HIS A 1 87 ? 0.125 4.882 7.354 1.00 69.54 87 A 1 ATOM 677 O O . HIS A 1 87 ? -0.487 4.328 6.439 1.00 64.56 87 A 1 ATOM 678 C CB . HIS A 1 87 ? 2.531 5.315 6.612 1.00 64.85 87 A 1 ATOM 679 C CG . HIS A 1 87 ? 3.654 6.061 7.305 1.00 59.99 87 A 1 ATOM 680 N ND1 . HIS A 1 87 ? 4.645 5.522 8.095 1.00 54.45 87 A 1 ATOM 681 C CD2 . HIS A 1 87 ? 3.827 7.419 7.316 1.00 52.75 87 A 1 ATOM 682 C CE1 . HIS A 1 87 ? 5.394 6.532 8.575 1.00 47.98 87 A 1 ATOM 683 N NE2 . HIS A 1 87 ? 4.933 7.711 8.122 1.00 49.13 87 A 1 ATOM 684 N N . LYS A 1 88 ? -0.456 5.750 8.177 1.00 65.78 88 A 1 ATOM 685 C CA . LYS A 1 88 ? -1.785 6.304 7.958 1.00 65.25 88 A 1 ATOM 686 C C . LYS A 1 88 ? -1.686 7.201 6.723 1.00 65.59 88 A 1 ATOM 687 O O . LYS A 1 88 ? -1.254 8.337 6.823 1.00 62.10 88 A 1 ATOM 688 C CB . LYS A 1 88 ? -2.203 7.044 9.241 1.00 60.37 88 A 1 ATOM 689 C CG . LYS A 1 88 ? -3.722 7.170 9.400 1.00 51.83 88 A 1 ATOM 690 C CD . LYS A 1 88 ? -4.005 7.901 10.715 1.00 48.84 88 A 1 ATOM 691 C CE . LYS A 1 88 ? -5.490 7.933 11.048 1.00 43.31 88 A 1 ATOM 692 N NZ . LYS A 1 88 ? -5.729 8.733 12.278 1.00 35.62 88 A 1 ATOM 693 N N . VAL A 1 89 ? -2.028 6.651 5.554 1.00 64.72 89 A 1 ATOM 694 C CA . VAL A 1 89 ? -2.086 7.417 4.309 1.00 65.81 89 A 1 ATOM 695 C C . VAL A 1 89 ? -3.189 8.460 4.484 1.00 68.51 89 A 1 ATOM 696 O O . VAL A 1 89 ? -4.374 8.158 4.348 1.00 64.95 89 A 1 ATOM 697 C CB . VAL A 1 89 ? -2.319 6.507 3.083 1.00 61.54 89 A 1 ATOM 698 C CG1 . VAL A 1 89 ? -2.322 7.322 1.778 1.00 55.19 89 A 1 ATOM 699 C CG2 . VAL A 1 89 ? -1.228 5.437 2.952 1.00 56.90 89 A 1 ATOM 700 N N . GLU A 1 90 ? -2.807 9.674 4.862 1.00 70.96 90 A 1 ATOM 701 C CA . GLU A 1 90 ? -3.706 10.814 4.787 1.00 72.21 90 A 1 ATOM 702 C C . GLU A 1 90 ? -3.845 11.172 3.310 1.00 73.17 90 A 1 ATOM 703 O O . GLU A 1 90 ? -3.096 11.972 2.775 1.00 69.18 90 A 1 ATOM 704 C CB . GLU A 1 90 ? -3.236 11.990 5.659 1.00 67.09 90 A 1 ATOM 705 C CG . GLU A 1 90 ? -3.276 11.625 7.152 1.00 57.94 90 A 1 ATOM 706 C CD . GLU A 1 90 ? -3.455 12.832 8.080 1.00 54.04 90 A 1 ATOM 707 O OE1 . GLU A 1 90 ? -4.089 12.607 9.144 1.00 50.89 90 A 1 ATOM 708 O OE2 . GLU A 1 90 ? -3.044 13.954 7.721 1.00 47.77 90 A 1 ATOM 709 N N . LEU A 1 91 ? -4.818 10.516 2.639 1.00 73.08 91 A 1 ATOM 710 C CA . LEU A 1 91 ? -5.216 10.940 1.305 1.00 74.00 91 A 1 ATOM 711 C C . LEU A 1 91 ? -5.502 12.442 1.355 1.00 76.22 91 A 1 ATOM 712 O O . LEU A 1 91 ? -6.230 12.908 2.244 1.00 75.33 91 A 1 ATOM 713 C CB . LEU A 1 91 ? -6.464 10.193 0.802 1.00 70.55 91 A 1 ATOM 714 C CG . LEU A 1 91 ? -6.225 8.741 0.335 1.00 66.19 91 A 1 ATOM 715 C CD1 . LEU A 1 91 ? -6.566 7.734 1.439 1.00 62.39 91 A 1 ATOM 716 C CD2 . LEU A 1 91 ? -7.105 8.415 -0.869 1.00 62.02 91 A 1 ATOM 717 N N . THR A 1 92 ? -4.965 13.170 0.374 1.00 80.07 92 A 1 ATOM 718 C CA . THR A 1 92 ? -5.266 14.585 0.165 1.00 81.52 92 A 1 ATOM 719 C C . THR A 1 92 ? -6.782 14.779 0.022 1.00 84.81 92 A 1 ATOM 720 O O . THR A 1 92 ? -7.524 13.864 -0.355 1.00 84.14 92 A 1 ATOM 721 C CB . THR A 1 92 ? -4.506 15.143 -1.047 1.00 78.43 92 A 1 ATOM 722 O OG1 . THR A 1 92 ? -4.856 14.424 -2.206 1.00 70.62 92 A 1 ATOM 723 C CG2 . THR A 1 92 ? -2.987 15.058 -0.882 1.00 68.63 92 A 1 ATOM 724 N N . GLU A 1 93 ? -7.296 15.962 0.370 1.00 88.79 93 A 1 ATOM 725 C CA . GLU A 1 93 ? -8.740 16.222 0.278 1.00 89.80 93 A 1 ATOM 726 C C . GLU A 1 93 ? -9.284 15.998 -1.139 1.00 90.50 93 A 1 ATOM 727 O O . GLU A 1 93 ? -10.410 15.529 -1.310 1.00 89.67 93 A 1 ATOM 728 C CB . GLU A 1 93 ? -9.057 17.644 0.746 1.00 88.14 93 A 1 ATOM 729 C CG . GLU A 1 93 ? -8.786 17.836 2.251 1.00 77.46 93 A 1 ATOM 730 C CD . GLU A 1 93 ? -9.426 19.125 2.793 1.00 70.68 93 A 1 ATOM 731 O OE1 . GLU A 1 93 ? -9.835 19.086 3.977 1.00 66.36 93 A 1 ATOM 732 O OE2 . GLU A 1 93 ? -9.548 20.104 2.026 1.00 65.48 93 A 1 ATOM 733 N N . GLU A 1 94 ? -8.447 16.224 -2.148 1.00 89.87 94 A 1 ATOM 734 C CA . GLU A 1 94 ? -8.758 15.991 -3.560 1.00 89.72 94 A 1 ATOM 735 C C . GLU A 1 94 ? -8.901 14.499 -3.885 1.00 90.12 94 A 1 ATOM 736 O O . GLU A 1 94 ? -9.882 14.097 -4.512 1.00 88.65 94 A 1 ATOM 737 C CB . GLU A 1 94 ? -7.674 16.632 -4.437 1.00 88.44 94 A 1 ATOM 738 C CG . GLU A 1 94 ? -7.622 18.161 -4.261 1.00 78.40 94 A 1 ATOM 739 C CD . GLU A 1 94 ? -6.653 18.849 -5.237 1.00 71.03 94 A 1 ATOM 740 O OE1 . GLU A 1 94 ? -6.815 20.074 -5.419 1.00 65.79 94 A 1 ATOM 741 O OE2 . GLU A 1 94 ? -5.790 18.150 -5.817 1.00 66.30 94 A 1 ATOM 742 N N . GLU A 1 95 ? -8.005 13.653 -3.386 1.00 88.62 95 A 1 ATOM 743 C CA . GLU A 1 95 ? -8.088 12.197 -3.565 1.00 85.68 95 A 1 ATOM 744 C C . GLU A 1 95 ? -9.279 11.598 -2.807 1.00 88.20 95 A 1 ATOM 745 O O . GLU A 1 95 ? -9.977 10.720 -3.327 1.00 88.09 95 A 1 ATOM 746 C CB . GLU A 1 95 ? -6.794 11.533 -3.088 1.00 81.00 95 A 1 ATOM 747 C CG . GLU A 1 95 ? -5.609 11.801 -4.028 1.00 72.81 95 A 1 ATOM 748 C CD . GLU A 1 95 ? -4.314 11.224 -3.442 1.00 66.21 95 A 1 ATOM 749 O OE1 . GLU A 1 95 ? -3.572 10.580 -4.209 1.00 62.56 95 A 1 ATOM 750 O OE2 . GLU A 1 95 ? -4.103 11.425 -2.222 1.00 60.99 95 A 1 ATOM 751 N N . LYS A 1 96 ? -9.591 12.116 -1.609 1.00 84.91 96 A 1 ATOM 752 C CA . LYS A 1 96 ? -10.801 11.734 -0.864 1.00 85.04 96 A 1 ATOM 753 C C . LYS A 1 96 ? -12.071 12.113 -1.627 1.00 87.23 96 A 1 ATOM 754 O O . LYS A 1 96 ? -13.035 11.341 -1.639 1.00 89.67 96 A 1 ATOM 755 C CB . LYS A 1 96 ? -10.804 12.389 0.531 1.00 82.58 96 A 1 ATOM 756 C CG . LYS A 1 96 ? -9.788 11.743 1.491 1.00 77.75 96 A 1 ATOM 757 C CD . LYS A 1 96 ? -9.701 12.512 2.825 1.00 76.15 96 A 1 ATOM 758 C CE . LYS A 1 96 ? -8.671 11.846 3.742 1.00 68.09 96 A 1 ATOM 759 N NZ . LYS A 1 96 ? -8.044 12.790 4.713 1.00 61.65 96 A 1 ATOM 760 N N . ALA A 1 97 ? -12.099 13.286 -2.253 1.00 91.79 97 A 1 ATOM 761 C CA . ALA A 1 97 ? -13.228 13.745 -3.054 1.00 91.68 97 A 1 ATOM 762 C C . ALA A 1 97 ? -13.398 12.916 -4.338 1.00 91.93 97 A 1 ATOM 763 O O . ALA A 1 97 ? -14.523 12.528 -4.672 1.00 91.98 97 A 1 ATOM 764 C CB . ALA A 1 97 ? -13.047 15.235 -3.348 1.00 92.34 97 A 1 ATOM 765 N N . GLN A 1 98 ? -12.298 12.585 -5.018 1.00 87.68 98 A 1 ATOM 766 C CA . GLN A 1 98 ? -12.305 11.719 -6.197 1.00 85.93 98 A 1 ATOM 767 C C . GLN A 1 98 ? -12.768 10.301 -5.851 1.00 86.61 98 A 1 ATOM 768 O O . GLN A 1 98 ? -13.707 9.812 -6.481 1.00 89.29 98 A 1 ATOM 769 C CB . GLN A 1 98 ? -10.919 11.700 -6.851 1.00 88.82 98 A 1 ATOM 770 C CG . GLN A 1 98 ? -10.632 13.004 -7.622 1.00 79.52 98 A 1 ATOM 771 C CD . GLN A 1 98 ? -9.258 13.004 -8.296 1.00 74.25 98 A 1 ATOM 772 O OE1 . GLN A 1 98 ? -8.536 12.028 -8.298 1.00 69.87 98 A 1 ATOM 773 N NE2 . GLN A 1 98 ? -8.858 14.086 -8.920 1.00 63.38 98 A 1 ATOM 774 N N . ALA A 1 99 ? -12.226 9.692 -4.794 1.00 89.70 99 A 1 ATOM 775 C CA . ALA A 1 99 ? -12.628 8.358 -4.347 1.00 87.22 99 A 1 ATOM 776 C C . ALA A 1 99 ? -14.121 8.294 -3.965 1.00 88.95 99 A 1 ATOM 777 O O . ALA A 1 99 ? -14.820 7.344 -4.317 1.00 89.49 99 A 1 ATOM 778 C CB . ALA A 1 99 ? -11.731 7.951 -3.172 1.00 85.64 99 A 1 ATOM 779 N N . ARG A 1 100 ? -14.652 9.339 -3.299 1.00 92.56 100 A 1 ATOM 780 C CA . ARG A 1 100 ? -16.094 9.440 -3.001 1.00 92.46 100 A 1 ATOM 781 C C . ARG A 1 100 ? -16.946 9.550 -4.266 1.00 94.66 100 A 1 ATOM 782 O O . ARG A 1 100 ? -17.993 8.916 -4.353 1.00 95.17 100 A 1 ATOM 783 C CB . ARG A 1 100 ? -16.366 10.645 -2.089 1.00 91.75 100 A 1 ATOM 784 C CG . ARG A 1 100 ? -15.996 10.358 -0.630 1.00 77.95 100 A 1 ATOM 785 C CD . ARG A 1 100 ? -16.202 11.629 0.202 1.00 75.37 100 A 1 ATOM 786 N NE . ARG A 1 100 ? -15.865 11.411 1.623 1.00 66.01 100 A 1 ATOM 787 C CZ . ARG A 1 100 ? -15.962 12.308 2.591 1.00 61.00 100 A 1 ATOM 788 N NH1 . ARG A 1 100 ? -16.404 13.520 2.370 1.00 54.86 100 A 1 ATOM 789 N NH2 . ARG A 1 100 ? -15.613 12.008 3.811 1.00 51.96 100 A 1 ATOM 790 N N . LYS A 1 101 ? -16.501 10.338 -5.243 1.00 90.76 101 A 1 ATOM 791 C CA . LYS A 1 101 ? -17.217 10.520 -6.513 1.00 92.37 101 A 1 ATOM 792 C C . LYS A 1 101 ? -17.219 9.240 -7.349 1.00 93.99 101 A 1 ATOM 793 O O . LYS A 1 101 ? -18.243 8.900 -7.935 1.00 95.46 101 A 1 ATOM 794 C CB . LYS A 1 101 ? -16.577 11.699 -7.258 1.00 93.69 101 A 1 ATOM 795 C CG . LYS A 1 101 ? -17.421 12.177 -8.448 1.00 85.98 101 A 1 ATOM 796 C CD . LYS A 1 101 ? -16.743 13.397 -9.085 1.00 83.91 101 A 1 ATOM 797 C CE . LYS A 1 101 ? -17.577 13.965 -10.236 1.00 76.05 101 A 1 ATOM 798 N NZ . LYS A 1 101 ? -16.905 15.153 -10.833 1.00 67.14 101 A 1 ATOM 799 N N . GLU A 1 102 ? -16.108 8.521 -7.357 1.00 88.48 102 A 1 ATOM 800 C CA . GLU A 1 102 ? -15.964 7.245 -8.054 1.00 86.85 102 A 1 ATOM 801 C C . GLU A 1 102 ? -16.787 6.138 -7.382 1.00 88.08 102 A 1 ATOM 802 O O . GLU A 1 102 ? -17.521 5.423 -8.062 1.00 90.54 102 A 1 ATOM 803 C CB . GLU A 1 102 ? -14.470 6.912 -8.144 1.00 90.45 102 A 1 ATOM 804 C CG . GLU A 1 102 ? -14.197 5.786 -9.150 1.00 81.83 102 A 1 ATOM 805 C CD . GLU A 1 102 ? -12.704 5.656 -9.488 1.00 75.88 102 A 1 ATOM 806 O OE1 . GLU A 1 102 ? -12.422 5.056 -10.550 1.00 68.56 102 A 1 ATOM 807 O OE2 . GLU A 1 102 ? -11.874 6.160 -8.709 1.00 69.20 102 A 1 ATOM 808 N N . ALA A 1 103 ? -16.792 6.077 -6.043 1.00 92.88 103 A 1 ATOM 809 C CA . ALA A 1 103 ? -17.644 5.157 -5.286 1.00 92.84 103 A 1 ATOM 810 C C . ALA A 1 103 ? -19.145 5.408 -5.528 1.00 94.26 103 A 1 ATOM 811 O O . ALA A 1 103 ? -19.905 4.461 -5.727 1.00 94.79 103 A 1 ATOM 812 C CB . ALA A 1 103 ? -17.289 5.278 -3.799 1.00 92.65 103 A 1 ATOM 813 N N . LEU A 1 104 ? -19.573 6.679 -5.574 1.00 93.20 104 A 1 ATOM 814 C CA . LEU A 1 104 ? -20.952 7.048 -5.922 1.00 93.67 104 A 1 ATOM 815 C C . LEU A 1 104 ? -21.326 6.611 -7.338 1.00 94.58 104 A 1 ATOM 816 O O . LEU A 1 104 ? -22.423 6.095 -7.555 1.00 95.66 104 A 1 ATOM 817 C CB . LEU A 1 104 ? -21.127 8.569 -5.765 1.00 94.54 104 A 1 ATOM 818 C CG . LEU A 1 104 ? -21.722 8.965 -4.400 1.00 85.19 104 A 1 ATOM 819 C CD1 . LEU A 1 104 ? -21.408 10.425 -4.088 1.00 78.41 104 A 1 ATOM 820 C CD2 . LEU A 1 104 ? -23.241 8.787 -4.392 1.00 79.83 104 A 1 ATOM 821 N N . LYS A 1 105 ? -20.411 6.790 -8.289 1.00 93.00 105 A 1 ATOM 822 C CA . LYS A 1 105 ? -20.625 6.395 -9.684 1.00 92.39 105 A 1 ATOM 823 C C . LYS A 1 105 ? -20.706 4.874 -9.834 1.00 92.35 105 A 1 ATOM 824 O O . LYS A 1 105 ? -21.628 4.382 -10.479 1.00 94.42 105 A 1 ATOM 825 C CB . LYS A 1 105 ? -19.509 7.014 -10.534 1.00 94.10 105 A 1 ATOM 826 C CG . LYS A 1 105 ? -19.948 7.204 -11.985 1.00 83.68 105 A 1 ATOM 827 C CD . LYS A 1 105 ? -18.797 7.806 -12.792 1.00 80.04 105 A 1 ATOM 828 C CE . LYS A 1 105 ? -19.243 8.073 -14.225 1.00 72.27 105 A 1 ATOM 829 N NZ . LYS A 1 105 ? -18.089 8.448 -15.079 1.00 63.99 105 A 1 ATOM 830 N N . ALA A 1 106 ? -19.820 4.144 -9.167 1.00 93.30 106 A 1 ATOM 831 C CA . ALA A 1 106 ? -19.836 2.682 -9.134 1.00 92.46 106 A 1 ATOM 832 C C . ALA A 1 106 ? -21.123 2.134 -8.493 1.00 94.26 106 A 1 ATOM 833 O O . ALA A 1 106 ? -21.726 1.201 -9.022 1.00 94.01 106 A 1 ATOM 834 C CB . ALA A 1 106 ? -18.587 2.206 -8.382 1.00 93.42 106 A 1 ATOM 835 N N . TYR A 1 107 ? -21.602 2.761 -7.406 1.00 93.29 107 A 1 ATOM 836 C CA . TYR A 1 107 ? -22.875 2.395 -6.772 1.00 93.02 107 A 1 ATOM 837 C C . TYR A 1 107 ? -24.076 2.622 -7.701 1.00 94.27 107 A 1 ATOM 838 O O . TYR A 1 107 ? -24.926 1.743 -7.844 1.00 94.98 107 A 1 ATOM 839 C CB . TYR A 1 107 ? -23.018 3.179 -5.465 1.00 94.25 107 A 1 ATOM 840 C CG . TYR A 1 107 ? -24.254 2.797 -4.674 1.00 90.96 107 A 1 ATOM 841 C CD1 . TYR A 1 107 ? -25.436 3.547 -4.800 1.00 82.08 107 A 1 ATOM 842 C CD2 . TYR A 1 107 ? -24.232 1.658 -3.848 1.00 86.80 107 A 1 ATOM 843 C CE1 . TYR A 1 107 ? -26.599 3.154 -4.111 1.00 84.59 107 A 1 ATOM 844 C CE2 . TYR A 1 107 ? -25.397 1.259 -3.157 1.00 87.35 107 A 1 ATOM 845 C CZ . TYR A 1 107 ? -26.584 2.004 -3.299 1.00 87.28 107 A 1 ATOM 846 O OH . TYR A 1 107 ? -27.719 1.603 -2.664 1.00 85.03 107 A 1 ATOM 847 N N . GLN A 1 108 ? -24.125 3.759 -8.389 1.00 92.00 108 A 1 ATOM 848 C CA . GLN A 1 108 ? -25.178 4.055 -9.366 1.00 89.86 108 A 1 ATOM 849 C C . GLN A 1 108 ? -25.176 3.070 -10.545 1.00 87.90 108 A 1 ATOM 850 O O . GLN A 1 108 ? -26.237 2.610 -10.967 1.00 91.51 108 A 1 ATOM 851 C CB . GLN A 1 108 ? -25.014 5.486 -9.892 1.00 92.78 108 A 1 ATOM 852 C CG . GLN A 1 108 ? -25.459 6.539 -8.867 1.00 84.15 108 A 1 ATOM 853 C CD . GLN A 1 108 ? -25.236 7.970 -9.352 1.00 80.50 108 A 1 ATOM 854 O OE1 . GLN A 1 108 ? -24.627 8.255 -10.372 1.00 75.17 108 A 1 ATOM 855 N NE2 . GLN A 1 108 ? -25.745 8.947 -8.633 1.00 70.66 108 A 1 ATOM 856 N N . GLU A 1 109 ? -24.003 2.714 -11.054 1.00 93.78 109 A 1 ATOM 857 C CA . GLU A 1 109 ? -23.868 1.712 -12.117 1.00 92.36 109 A 1 ATOM 858 C C . GLU A 1 109 ? -24.289 0.314 -11.643 1.00 90.81 109 A 1 ATOM 859 O O . GLU A 1 109 ? -24.970 -0.406 -12.377 1.00 92.71 109 A 1 ATOM 860 C CB . GLU A 1 109 ? -22.423 1.678 -12.640 1.00 94.66 109 A 1 ATOM 861 C CG . GLU A 1 109 ? -22.126 2.858 -13.581 1.00 85.75 109 A 1 ATOM 862 C CD . GLU A 1 109 ? -20.698 2.840 -14.158 1.00 79.52 109 A 1 ATOM 863 O OE1 . GLU A 1 109 ? -20.397 3.767 -14.948 1.00 73.08 109 A 1 ATOM 864 O OE2 . GLU A 1 109 ? -19.927 1.916 -13.834 1.00 73.61 109 A 1 ATOM 865 N N . GLU A 1 110 ? -23.957 -0.056 -10.408 1.00 94.89 110 A 1 ATOM 866 C CA . GLU A 1 110 ? -24.366 -1.339 -9.833 1.00 93.22 110 A 1 ATOM 867 C C . GLU A 1 110 ? -25.886 -1.417 -9.624 1.00 93.21 110 A 1 ATOM 868 O O . GLU A 1 110 ? -26.505 -2.434 -9.958 1.00 93.35 110 A 1 ATOM 869 C CB . GLU A 1 110 ? -23.614 -1.604 -8.519 1.00 93.96 110 A 1 ATOM 870 C CG . GLU A 1 110 ? -23.645 -3.105 -8.191 1.00 80.76 110 A 1 ATOM 871 C CD . GLU A 1 110 ? -23.232 -3.440 -6.751 1.00 75.06 110 A 1 ATOM 872 O OE1 . GLU A 1 110 ? -23.842 -4.412 -6.221 1.00 67.60 110 A 1 ATOM 873 O OE2 . GLU A 1 110 ? -22.384 -2.742 -6.177 1.00 68.49 110 A 1 ATOM 874 N N . GLU A 1 111 ? -26.514 -0.340 -9.132 1.00 91.06 111 A 1 ATOM 875 C CA . GLU A 1 111 ? -27.977 -0.270 -9.015 1.00 88.91 111 A 1 ATOM 876 C C . GLU A 1 111 ? -28.668 -0.330 -10.380 1.00 88.66 111 A 1 ATOM 877 O O . GLU A 1 111 ? -29.603 -1.111 -10.559 1.00 89.31 111 A 1 ATOM 878 C CB . GLU A 1 111 ? -28.426 0.987 -8.267 1.00 92.13 111 A 1 ATOM 879 C CG . GLU A 1 111 ? -28.269 0.856 -6.747 1.00 83.28 111 A 1 ATOM 880 C CD . GLU A 1 111 ? -29.306 1.708 -5.997 1.00 78.06 111 A 1 ATOM 881 O OE1 . GLU A 1 111 ? -29.877 1.176 -5.021 1.00 69.69 111 A 1 ATOM 882 O OE2 . GLU A 1 111 ? -29.560 2.854 -6.437 1.00 68.89 111 A 1 ATOM 883 N N . MET A 1 112 ? -28.182 0.411 -11.371 1.00 91.68 112 A 1 ATOM 884 C CA . MET A 1 112 ? -28.720 0.333 -12.734 1.00 88.88 112 A 1 ATOM 885 C C . MET A 1 112 ? -28.582 -1.072 -13.317 1.00 86.95 112 A 1 ATOM 886 O O . MET A 1 112 ? -29.530 -1.588 -13.910 1.00 90.06 112 A 1 ATOM 887 C CB . MET A 1 112 ? -28.051 1.366 -13.653 1.00 91.33 112 A 1 ATOM 888 C CG . MET A 1 112 ? -28.643 2.765 -13.458 1.00 81.12 112 A 1 ATOM 889 S SD . MET A 1 112 ? -28.934 3.657 -15.010 1.00 72.09 112 A 1 ATOM 890 C CE . MET A 1 112 ? -27.236 4.082 -15.468 1.00 61.22 112 A 1 ATOM 891 N N . ARG A 1 113 ? -27.443 -1.733 -13.091 1.00 95.51 113 A 1 ATOM 892 C CA . ARG A 1 113 ? -27.220 -3.119 -13.520 1.00 94.50 113 A 1 ATOM 893 C C . ARG A 1 113 ? -28.161 -4.094 -12.812 1.00 94.09 113 A 1 ATOM 894 O O . ARG A 1 113 ? -28.713 -4.982 -13.464 1.00 93.99 113 A 1 ATOM 895 C CB . ARG A 1 113 ? -25.744 -3.465 -13.303 1.00 95.07 113 A 1 ATOM 896 C CG . ARG A 1 113 ? -25.370 -4.807 -13.941 1.00 82.84 113 A 1 ATOM 897 C CD . ARG A 1 113 ? -23.885 -5.076 -13.716 1.00 81.56 113 A 1 ATOM 898 N NE . ARG A 1 113 ? -23.469 -6.361 -14.318 1.00 71.45 113 A 1 ATOM 899 C CZ . ARG A 1 113 ? -22.278 -6.919 -14.199 1.00 65.61 113 A 1 ATOM 900 N NH1 . ARG A 1 113 ? -21.328 -6.359 -13.497 1.00 59.93 113 A 1 ATOM 901 N NH2 . ARG A 1 113 ? -22.018 -8.048 -14.783 1.00 55.04 113 A 1 ATOM 902 N N . LYS A 1 114 ? -28.411 -3.927 -11.505 1.00 94.23 114 A 1 ATOM 903 C CA . LYS A 1 114 ? -29.389 -4.727 -10.745 1.00 91.94 114 A 1 ATOM 904 C C . LYS A 1 114 ? -30.815 -4.528 -11.257 1.00 91.91 114 A 1 ATOM 905 O O . LYS A 1 114 ? -31.553 -5.506 -11.392 1.00 91.81 114 A 1 ATOM 906 C CB . LYS A 1 114 ? -29.313 -4.385 -9.246 1.00 92.57 114 A 1 ATOM 907 C CG . LYS A 1 114 ? -28.232 -5.192 -8.509 1.00 84.86 114 A 1 ATOM 908 C CD . LYS A 1 114 ? -28.052 -4.696 -7.068 1.00 81.94 114 A 1 ATOM 909 C CE . LYS A 1 114 ? -27.033 -5.560 -6.321 1.00 75.32 114 A 1 ATOM 910 N NZ . LYS A 1 114 ? -26.369 -4.824 -5.211 1.00 67.69 114 A 1 ATOM 911 N N . ILE A 1 115 ? -31.206 -3.296 -11.568 1.00 94.74 115 A 1 ATOM 912 C CA . ILE A 1 115 ? -32.525 -2.981 -12.136 1.00 91.86 115 A 1 ATOM 913 C C . ILE A 1 115 ? -32.670 -3.625 -13.521 1.00 91.17 115 A 1 ATOM 914 O O . ILE A 1 115 ? -33.646 -4.336 -13.764 1.00 89.73 115 A 1 ATOM 915 C CB . ILE A 1 115 ? -32.755 -1.454 -12.148 1.00 92.25 115 A 1 ATOM 916 C CG1 . ILE A 1 115 ? -32.886 -0.927 -10.699 1.00 87.63 115 A 1 ATOM 917 C CG2 . ILE A 1 115 ? -34.020 -1.087 -12.946 1.00 85.58 115 A 1 ATOM 918 C CD1 . ILE A 1 115 ? -32.765 0.598 -10.582 1.00 76.66 115 A 1 ATOM 919 N N . GLN A 1 116 ? -31.678 -3.492 -14.389 1.00 90.35 116 A 1 ATOM 920 C CA . GLN A 1 116 ? -31.682 -4.121 -15.717 1.00 85.48 116 A 1 ATOM 921 C C . GLN A 1 116 ? -31.750 -5.655 -15.640 1.00 83.77 116 A 1 ATOM 922 O O . GLN A 1 116 ? -32.501 -6.279 -16.389 1.00 85.11 116 A 1 ATOM 923 C CB . GLN A 1 116 ? -30.437 -3.690 -16.496 1.00 88.53 116 A 1 ATOM 924 C CG . GLN A 1 116 ? -30.515 -2.233 -16.988 1.00 78.72 116 A 1 ATOM 925 C CD . GLN A 1 116 ? -29.223 -1.781 -17.669 1.00 74.25 116 A 1 ATOM 926 O OE1 . GLN A 1 116 ? -28.290 -2.544 -17.870 1.00 70.83 116 A 1 ATOM 927 N NE2 . GLN A 1 116 ? -29.125 -0.531 -18.050 1.00 65.20 116 A 1 ATOM 928 N N . GLN A 1 117 ? -31.031 -6.268 -14.695 1.00 93.15 117 A 1 ATOM 929 C CA . GLN A 1 117 ? -31.099 -7.721 -14.470 1.00 88.98 117 A 1 ATOM 930 C C . GLN A 1 117 ? -32.457 -8.183 -13.922 1.00 86.58 117 A 1 ATOM 931 O O . GLN A 1 117 ? -32.898 -9.290 -14.229 1.00 84.55 117 A 1 ATOM 932 C CB . GLN A 1 117 ? -29.990 -8.154 -13.506 1.00 89.89 117 A 1 ATOM 933 C CG . GLN A 1 117 ? -28.609 -8.193 -14.181 1.00 80.90 117 A 1 ATOM 934 C CD . GLN A 1 117 ? -27.504 -8.627 -13.220 1.00 74.33 117 A 1 ATOM 935 O OE1 . GLN A 1 117 ? -27.715 -8.940 -12.062 1.00 70.64 117 A 1 ATOM 936 N NE2 . GLN A 1 117 ? -26.274 -8.685 -13.670 1.00 66.16 117 A 1 ATOM 937 N N . ARG A 1 118 ? -33.132 -7.349 -13.105 1.00 90.68 118 A 1 ATOM 938 C CA . ARG A 1 118 ? -34.498 -7.649 -12.638 1.00 85.61 118 A 1 ATOM 939 C C . ARG A 1 118 ? -35.528 -7.542 -13.766 1.00 83.49 118 A 1 ATOM 940 O O . ARG A 1 118 ? -36.451 -8.345 -13.803 1.00 80.18 118 A 1 ATOM 941 C CB . ARG A 1 118 ? -34.875 -6.726 -11.468 1.00 85.65 118 A 1 ATOM 942 C CG . ARG A 1 118 ? -34.192 -7.142 -10.155 1.00 76.86 118 A 1 ATOM 943 C CD . ARG A 1 118 ? -34.509 -6.113 -9.061 1.00 74.45 118 A 1 ATOM 944 N NE . ARG A 1 118 ? -33.869 -6.465 -7.775 1.00 65.87 118 A 1 ATOM 945 C CZ . ARG A 1 118 ? -34.069 -5.857 -6.616 1.00 58.44 118 A 1 ATOM 946 N NH1 . ARG A 1 118 ? -34.905 -4.860 -6.490 1.00 53.90 118 A 1 ATOM 947 N NH2 . ARG A 1 118 ? -33.427 -6.235 -5.546 1.00 51.31 118 A 1 ATOM 948 N N . HIS A 1 119 ? -35.339 -6.599 -14.685 1.00 86.62 119 A 1 ATOM 949 C CA . HIS A 1 119 ? -36.224 -6.434 -15.845 1.00 80.37 119 A 1 ATOM 950 C C . HIS A 1 119 ? -35.952 -7.436 -16.981 1.00 75.01 119 A 1 ATOM 951 O O . HIS A 1 119 ? -36.863 -7.724 -17.753 1.00 71.40 119 A 1 ATOM 952 C CB . HIS A 1 119 ? -36.144 -4.985 -16.343 1.00 79.89 119 A 1 ATOM 953 C CG . HIS A 1 119 ? -36.929 -4.034 -15.470 1.00 73.54 119 A 1 ATOM 954 N ND1 . HIS A 1 119 ? -38.300 -3.971 -15.388 1.00 64.47 119 A 1 ATOM 955 C CD2 . HIS A 1 119 ? -36.434 -3.101 -14.602 1.00 63.56 119 A 1 ATOM 956 C CE1 . HIS A 1 119 ? -38.618 -3.015 -14.493 1.00 60.73 119 A 1 ATOM 957 N NE2 . HIS A 1 119 ? -37.514 -2.462 -13.989 1.00 62.37 119 A 1 ATOM 958 N N . SER A 1 120 ? -34.737 -7.993 -17.059 1.00 87.11 120 A 1 ATOM 959 C CA . SER A 1 120 ? -34.383 -9.017 -18.057 1.00 83.46 120 A 1 ATOM 960 C C . SER A 1 120 ? -34.685 -10.453 -17.615 1.00 78.56 120 A 1 ATOM 961 O O . SER A 1 120 ? -34.640 -11.361 -18.447 1.00 72.77 120 A 1 ATOM 962 C CB . SER A 1 120 ? -32.920 -8.880 -18.473 1.00 81.87 120 A 1 ATOM 963 O OG . SER A 1 120 ? -32.069 -9.001 -17.355 1.00 72.47 120 A 1 ATOM 964 N N . LYS A 1 121 ? -35.043 -10.690 -16.334 1.00 80.56 121 A 1 ATOM 965 C CA . LYS A 1 121 ? -35.558 -11.994 -15.891 1.00 77.19 121 A 1 ATOM 966 C C . LYS A 1 121 ? -36.962 -12.207 -16.472 1.00 72.59 121 A 1 ATOM 967 O O . LYS A 1 121 ? -37.855 -11.417 -16.166 1.00 68.84 121 A 1 ATOM 968 C CB . LYS A 1 121 ? -35.551 -12.111 -14.354 1.00 72.98 121 A 1 ATOM 969 C CG . LYS A 1 121 ? -34.443 -13.061 -13.879 1.00 64.51 121 A 1 ATOM 970 C CD . LYS A 1 121 ? -34.383 -13.150 -12.348 1.00 61.56 121 A 1 ATOM 971 C CE . LYS A 1 121 ? -33.304 -14.157 -11.930 1.00 56.41 121 A 1 ATOM 972 N NZ . LYS A 1 121 ? -33.165 -14.257 -10.456 1.00 47.06 121 A 1 ATOM 973 N N . PRO A 1 122 ? -37.199 -13.260 -17.275 1.00 71.79 122 A 1 ATOM 974 C CA . PRO A 1 122 ? -38.542 -13.568 -17.742 1.00 71.23 122 A 1 ATOM 975 C C . PRO A 1 122 ? -39.438 -13.834 -16.530 1.00 69.45 122 A 1 ATOM 976 O O . PRO A 1 122 ? -39.092 -14.604 -15.631 1.00 65.30 122 A 1 ATOM 977 C CB . PRO A 1 122 ? -38.400 -14.769 -18.684 1.00 67.92 122 A 1 ATOM 978 C CG . PRO A 1 122 ? -37.102 -15.438 -18.225 1.00 64.93 122 A 1 ATOM 979 C CD . PRO A 1 122 ? -36.259 -14.276 -17.701 1.00 69.24 122 A 1 ATOM 980 N N . LYS A 1 123 ? -40.589 -13.145 -16.487 1.00 69.55 123 A 1 ATOM 981 C CA . LYS A 1 123 ? -41.643 -13.314 -15.481 1.00 68.61 123 A 1 ATOM 982 C C . LYS A 1 123 ? -41.973 -14.812 -15.399 1.00 64.70 123 A 1 ATOM 983 O O . LYS A 1 123 ? -42.256 -15.393 -16.449 1.00 61.02 123 A 1 ATOM 984 C CB . LYS A 1 123 ? -42.848 -12.461 -15.929 1.00 64.43 123 A 1 ATOM 985 C CG . LYS A 1 123 ? -43.896 -12.187 -14.841 1.00 56.59 123 A 1 ATOM 986 C CD . LYS A 1 123 ? -44.958 -11.211 -15.395 1.00 53.84 123 A 1 ATOM 987 C CE . LYS A 1 123 ? -45.945 -10.768 -14.313 1.00 48.97 123 A 1 ATOM 988 N NZ . LYS A 1 123 ? -46.930 -9.777 -14.834 1.00 42.23 123 A 1 ATOM 989 N N . PRO A 1 124 ? -41.917 -15.452 -14.217 1.00 60.82 124 A 1 ATOM 990 C CA . PRO A 1 124 ? -42.266 -16.861 -14.118 1.00 63.36 124 A 1 ATOM 991 C C . PRO A 1 124 ? -43.712 -17.022 -14.582 1.00 61.71 124 A 1 ATOM 992 O O . PRO A 1 124 ? -44.638 -16.444 -14.010 1.00 58.93 124 A 1 ATOM 993 C CB . PRO A 1 124 ? -42.032 -17.267 -12.659 1.00 60.62 124 A 1 ATOM 994 C CG . PRO A 1 124 ? -42.118 -15.948 -11.893 1.00 58.80 124 A 1 ATOM 995 C CD . PRO A 1 124 ? -41.620 -14.910 -12.902 1.00 64.04 124 A 1 ATOM 996 N N . THR A 1 125 ? -43.902 -17.751 -15.681 1.00 58.29 125 A 1 ATOM 997 C CA . THR A 1 125 ? -45.216 -18.142 -16.165 1.00 61.59 125 A 1 ATOM 998 C C . THR A 1 125 ? -45.898 -18.953 -15.069 1.00 58.97 125 A 1 ATOM 999 O O . THR A 1 125 ? -45.396 -19.995 -14.651 1.00 54.35 125 A 1 ATOM 1000 C CB . THR A 1 125 ? -45.120 -18.945 -17.473 1.00 57.95 125 A 1 ATOM 1001 O OG1 . THR A 1 125 ? -44.009 -19.814 -17.448 1.00 50.47 125 A 1 ATOM 1002 C CG2 . THR A 1 125 ? -44.942 -18.025 -18.682 1.00 50.71 125 A 1 ATOM 1003 N N . ALA A 1 126 ? -47.031 -18.443 -14.595 1.00 52.32 126 A 1 ATOM 1004 C CA . ALA A 1 126 ? -47.904 -19.119 -13.650 1.00 56.57 126 A 1 ATOM 1005 C C . ALA A 1 126 ? -48.361 -20.462 -14.240 1.00 54.87 126 A 1 ATOM 1006 O O . ALA A 1 126 ? -49.304 -20.506 -15.023 1.00 52.18 126 A 1 ATOM 1007 C CB . ALA A 1 126 ? -49.084 -18.182 -13.354 1.00 53.42 126 A 1 ATOM 1008 N N . LYS A 1 127 ? -47.665 -21.549 -13.878 1.00 46.86 127 A 1 ATOM 1009 C CA . LYS A 1 127 ? -48.135 -22.935 -14.005 1.00 49.86 127 A 1 ATOM 1010 C C . LYS A 1 127 ? -47.198 -23.853 -13.206 1.00 46.96 127 A 1 ATOM 1011 O O . LYS A 1 127 ? -46.243 -24.384 -13.752 1.00 44.78 127 A 1 ATOM 1012 C CB . LYS A 1 127 ? -48.222 -23.372 -15.489 1.00 47.18 127 A 1 ATOM 1013 C CG . LYS A 1 127 ? -49.680 -23.464 -15.977 1.00 42.63 127 A 1 ATOM 1014 C CD . LYS A 1 127 ? -49.762 -23.804 -17.462 1.00 39.16 127 A 1 ATOM 1015 C CE . LYS A 1 127 ? -51.221 -23.741 -17.931 1.00 34.41 127 A 1 ATOM 1016 N NZ . LYS A 1 127 ? -51.361 -24.181 -19.341 1.00 31.47 127 A 1 ATOM 1017 N N . ALA A 1 128 ? -47.484 -23.973 -11.912 1.00 42.01 128 A 1 ATOM 1018 C CA . ALA A 1 128 ? -47.295 -25.167 -11.067 1.00 47.11 128 A 1 ATOM 1019 C C . ALA A 1 128 ? -47.523 -24.799 -9.591 1.00 46.60 128 A 1 ATOM 1020 O O . ALA A 1 128 ? -46.653 -24.941 -8.741 1.00 44.81 128 A 1 ATOM 1021 C CB . ALA A 1 128 ? -45.922 -25.843 -11.261 1.00 44.22 128 A 1 ATOM 1022 N N . ALA A 1 129 ? -48.731 -24.291 -9.275 1.00 41.23 129 A 1 ATOM 1023 C CA . ALA A 1 129 ? -49.259 -24.404 -7.923 1.00 47.47 129 A 1 ATOM 1024 C C . ALA A 1 129 ? -50.002 -25.744 -7.856 1.00 46.54 129 A 1 ATOM 1025 O O . ALA A 1 129 ? -51.198 -25.812 -8.113 1.00 44.72 129 A 1 ATOM 1026 C CB . ALA A 1 129 ? -50.149 -23.190 -7.612 1.00 45.76 129 A 1 ATOM 1027 N N . GLN A 1 130 ? -49.269 -26.816 -7.587 1.00 41.00 130 A 1 ATOM 1028 C CA . GLN A 1 130 ? -49.838 -28.052 -7.054 1.00 47.48 130 A 1 ATOM 1029 C C . GLN A 1 130 ? -49.224 -28.279 -5.676 1.00 47.54 130 A 1 ATOM 1030 O O . GLN A 1 130 ? -48.093 -28.720 -5.524 1.00 45.39 130 A 1 ATOM 1031 C CB . GLN A 1 130 ? -49.679 -29.243 -8.015 1.00 45.17 130 A 1 ATOM 1032 C CG . GLN A 1 130 ? -50.885 -29.308 -8.977 1.00 40.69 130 A 1 ATOM 1033 C CD . GLN A 1 130 ? -50.870 -30.525 -9.900 1.00 36.24 130 A 1 ATOM 1034 O OE1 . GLN A 1 130 ? -49.845 -31.114 -10.195 1.00 35.53 130 A 1 ATOM 1035 N NE2 . GLN A 1 130 ? -52.002 -30.942 -10.415 1.00 34.02 130 A 1 ATOM 1036 N N . SER A 1 131 ? -50.012 -27.842 -4.685 1.00 43.73 131 A 1 ATOM 1037 C CA . SER A 1 131 ? -50.257 -28.411 -3.365 1.00 51.14 131 A 1 ATOM 1038 C C . SER A 1 131 ? -49.269 -29.475 -2.878 1.00 51.82 131 A 1 ATOM 1039 O O . SER A 1 131 ? -49.424 -30.652 -3.184 1.00 46.69 131 A 1 ATOM 1040 C CB . SER A 1 131 ? -51.669 -29.016 -3.392 1.00 46.15 131 A 1 ATOM 1041 O OG . SER A 1 131 ? -51.779 -29.977 -4.427 1.00 40.30 131 A 1 ATOM 1042 N N . ASN A 1 132 ? -48.390 -29.062 -1.988 1.00 44.29 132 A 1 ATOM 1043 C CA . ASN A 1 132 ? -48.026 -29.863 -0.824 1.00 54.38 132 A 1 ATOM 1044 C C . ASN A 1 132 ? -48.191 -28.966 0.415 1.00 52.85 132 A 1 ATOM 1045 O O . ASN A 1 132 ? -47.229 -28.438 0.963 1.00 50.40 132 A 1 ATOM 1046 C CB . ASN A 1 132 ? -46.618 -30.475 -0.980 1.00 52.11 132 A 1 ATOM 1047 C CG . ASN A 1 132 ? -46.612 -31.814 -1.705 1.00 45.49 132 A 1 ATOM 1048 O OD1 . ASN A 1 132 ? -47.580 -32.550 -1.744 1.00 43.62 132 A 1 ATOM 1049 N ND2 . ASN A 1 132 ? -45.489 -32.208 -2.261 1.00 40.09 132 A 1 ATOM 1050 N N . GLN A 1 133 ? -49.463 -28.735 0.804 1.00 51.87 133 A 1 ATOM 1051 C CA . GLN A 1 133 ? -49.773 -28.345 2.174 1.00 58.72 133 A 1 ATOM 1052 C C . GLN A 1 133 ? -49.685 -29.627 2.999 1.00 59.15 133 A 1 ATOM 1053 O O . GLN A 1 133 ? -50.606 -30.431 3.001 1.00 58.57 133 A 1 ATOM 1054 C CB . GLN A 1 133 ? -51.167 -27.703 2.274 1.00 54.69 133 A 1 ATOM 1055 C CG . GLN A 1 133 ? -51.183 -26.255 1.776 1.00 49.48 133 A 1 ATOM 1056 C CD . GLN A 1 133 ? -52.552 -25.603 1.938 1.00 46.39 133 A 1 ATOM 1057 O OE1 . GLN A 1 133 ? -53.558 -26.094 1.458 1.00 43.52 133 A 1 ATOM 1058 N NE2 . GLN A 1 133 ? -52.651 -24.468 2.589 1.00 41.18 133 A 1 ATOM 1059 N N . THR A 1 134 ? -48.555 -29.846 3.657 1.00 55.48 134 A 1 ATOM 1060 C CA . THR A 1 134 ? -48.522 -30.697 4.842 1.00 65.02 134 A 1 ATOM 1061 C C . THR A 1 134 ? -49.285 -29.950 5.926 1.00 66.77 134 A 1 ATOM 1062 O O . THR A 1 134 ? -48.787 -28.972 6.483 1.00 61.50 134 A 1 ATOM 1063 C CB . THR A 1 134 ? -47.083 -31.014 5.281 1.00 61.31 134 A 1 ATOM 1064 O OG1 . THR A 1 134 ? -46.215 -29.944 4.968 1.00 54.52 134 A 1 ATOM 1065 C CG2 . THR A 1 134 ? -46.556 -32.251 4.560 1.00 55.48 134 A 1 ATOM 1066 N N . GLU A 1 135 ? -50.530 -30.362 6.165 1.00 52.76 135 A 1 ATOM 1067 C CA . GLU A 1 135 ? -51.316 -29.918 7.308 1.00 61.61 135 A 1 ATOM 1068 C C . GLU A 1 135 ? -50.550 -30.276 8.585 1.00 59.89 135 A 1 ATOM 1069 O O . GLU A 1 135 ? -50.231 -31.437 8.839 1.00 58.49 135 A 1 ATOM 1070 C CB . GLU A 1 135 ? -52.713 -30.561 7.297 1.00 59.16 135 A 1 ATOM 1071 C CG . GLU A 1 135 ? -53.589 -30.051 6.135 1.00 51.74 135 A 1 ATOM 1072 C CD . GLU A 1 135 ? -55.052 -30.519 6.224 1.00 51.15 135 A 1 ATOM 1073 O OE1 . GLU A 1 135 ? -55.921 -29.756 5.747 1.00 45.63 135 A 1 ATOM 1074 O OE2 . GLU A 1 135 ? -55.294 -31.634 6.737 1.00 47.03 135 A 1 ATOM 1075 N N . LEU A 1 136 ? -50.225 -29.258 9.383 1.00 60.89 136 A 1 ATOM 1076 C CA . LEU A 1 136 ? -49.751 -29.436 10.750 1.00 66.00 136 A 1 ATOM 1077 C C . LEU A 1 136 ? -50.921 -29.999 11.564 1.00 65.73 136 A 1 ATOM 1078 O O . LEU A 1 136 ? -51.825 -29.267 11.960 1.00 61.34 136 A 1 ATOM 1079 C CB . LEU A 1 136 ? -49.245 -28.081 11.284 1.00 64.48 136 A 1 ATOM 1080 C CG . LEU A 1 136 ? -47.805 -27.748 10.830 1.00 61.88 136 A 1 ATOM 1081 C CD1 . LEU A 1 136 ? -47.606 -26.238 10.724 1.00 59.68 136 A 1 ATOM 1082 C CD2 . LEU A 1 136 ? -46.780 -28.296 11.825 1.00 60.05 136 A 1 ATOM 1083 N N . SER A 1 137 ? -50.928 -31.319 11.785 1.00 59.80 137 A 1 ATOM 1084 C CA . SER A 1 137 ? -51.863 -31.980 12.688 1.00 65.73 137 A 1 ATOM 1085 C C . SER A 1 137 ? -51.581 -31.528 14.120 1.00 62.82 137 A 1 ATOM 1086 O O . SER A 1 137 ? -50.512 -31.787 14.664 1.00 59.46 137 A 1 ATOM 1087 C CB . SER A 1 137 ? -51.744 -33.502 12.555 1.00 62.31 137 A 1 ATOM 1088 O OG . SER A 1 137 ? -52.660 -34.123 13.428 1.00 53.49 137 A 1 ATOM 1089 N N . LEU A 1 138 ? -52.558 -30.852 14.739 1.00 65.31 138 A 1 ATOM 1090 C CA . LEU A 1 138 ? -52.489 -30.302 16.100 1.00 67.37 138 A 1 ATOM 1091 C C . LEU A 1 138 ? -52.671 -31.382 17.199 1.00 65.19 138 A 1 ATOM 1092 O O . LEU A 1 138 ? -52.854 -31.039 18.358 1.00 62.71 138 A 1 ATOM 1093 C CB . LEU A 1 138 ? -53.539 -29.163 16.167 1.00 66.06 138 A 1 ATOM 1094 C CG . LEU A 1 138 ? -53.456 -28.217 17.376 1.00 61.68 138 A 1 ATOM 1095 C CD1 . LEU A 1 138 ? -52.189 -27.368 17.370 1.00 61.14 138 A 1 ATOM 1096 C CD2 . LEU A 1 138 ? -54.658 -27.271 17.376 1.00 61.65 138 A 1 ATOM 1097 N N . PHE A 1 139 ? -52.644 -32.670 16.857 1.00 69.58 139 A 1 ATOM 1098 C CA . PHE A 1 139 ? -52.991 -33.780 17.765 1.00 69.88 139 A 1 ATOM 1099 C C . PHE A 1 139 ? -52.022 -34.975 17.747 1.00 69.81 139 A 1 ATOM 1100 O O . PHE A 1 139 ? -52.404 -36.050 18.204 1.00 65.68 139 A 1 ATOM 1101 C CB . PHE A 1 139 ? -54.449 -34.209 17.523 1.00 67.32 139 A 1 ATOM 1102 C CG . PHE A 1 139 ? -55.478 -33.248 18.080 1.00 68.26 139 A 1 ATOM 1103 C CD1 . PHE A 1 139 ? -55.731 -33.227 19.468 1.00 64.90 139 A 1 ATOM 1104 C CD2 . PHE A 1 139 ? -56.180 -32.376 17.234 1.00 64.84 139 A 1 ATOM 1105 C CE1 . PHE A 1 139 ? -56.683 -32.342 19.998 1.00 60.31 139 A 1 ATOM 1106 C CE2 . PHE A 1 139 ? -57.130 -31.488 17.766 1.00 62.11 139 A 1 ATOM 1107 C CZ . PHE A 1 139 ? -57.378 -31.473 19.146 1.00 64.60 139 A 1 ATOM 1108 N N . ASP A 1 140 ? -50.789 -34.807 17.279 1.00 63.75 140 A 1 ATOM 1109 C CA . ASP A 1 140 ? -49.744 -35.800 17.559 1.00 67.55 140 A 1 ATOM 1110 C C . ASP A 1 140 ? -49.041 -35.443 18.883 1.00 63.12 140 A 1 ATOM 1111 O O . ASP A 1 140 ? -48.139 -34.609 18.924 1.00 59.37 140 A 1 ATOM 1112 C CB . ASP A 1 140 ? -48.779 -35.972 16.365 1.00 65.21 140 A 1 ATOM 1113 C CG . ASP A 1 140 ? -49.116 -37.160 15.456 1.00 59.53 140 A 1 ATOM 1114 O OD1 . ASP A 1 140 ? -49.754 -38.128 15.924 1.00 56.57 140 A 1 ATOM 1115 O OD2 . ASP A 1 140 ? -48.702 -37.106 14.273 1.00 54.93 140 A 1 ATOM 1116 N N . PHE A 1 141 ? -49.547 -36.051 19.984 1.00 74.72 141 A 1 ATOM 1117 C CA . PHE A 1 141 ? -48.892 -36.162 21.294 1.00 72.58 141 A 1 ATOM 1118 C C . PHE A 1 141 ? -48.231 -37.536 21.442 1.00 68.48 141 A 1 ATOM 1119 O O . PHE A 1 141 ? -48.855 -38.528 21.010 1.00 60.47 141 A 1 ATOM 1120 C CB . PHE A 1 141 ? -49.902 -35.961 22.433 1.00 67.03 141 A 1 ATOM 1121 C CG . PHE A 1 141 ? -50.116 -34.524 22.861 1.00 62.66 141 A 1 ATOM 1122 C CD1 . PHE A 1 141 ? -49.208 -33.918 23.749 1.00 61.46 141 A 1 ATOM 1123 C CD2 . PHE A 1 141 ? -51.230 -33.802 22.400 1.00 58.74 141 A 1 ATOM 1124 C CE1 . PHE A 1 141 ? -49.415 -32.592 24.171 1.00 52.87 141 A 1 ATOM 1125 C CE2 . PHE A 1 141 ? -51.433 -32.476 22.819 1.00 59.31 141 A 1 ATOM 1126 C CZ . PHE A 1 141 ? -50.526 -31.873 23.704 1.00 54.66 141 A 1 ATOM 1127 O OXT . PHE A 1 141 ? -47.118 -37.532 22.033 1.00 57.69 141 A 1 #