# 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_acrif21 # _entry.id acrif21 # 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 THR 2 1 n SER 3 1 n ILE 4 1 n LYS 5 1 n THR 6 1 n ILE 7 1 n GLU 8 1 n TYR 9 1 n LYS 10 1 n GLY 11 1 n ASN 12 1 n THR 13 1 n LEU 14 1 n THR 15 1 n LEU 16 1 n GLN 17 1 n LYS 18 1 n ASP 19 1 n SER 20 1 n ASP 21 1 n ALA 22 1 n ASP 23 1 n CYS 24 1 n ILE 25 1 n SER 26 1 n TYR 27 1 n GLU 28 1 n ILE 29 1 n LEU 30 1 n LEU 31 1 n ARG 32 1 n ASP 33 1 n PRO 34 1 n ILE 35 1 n LYS 36 1 n HIS 37 1 n TRP 38 1 n VAL 39 1 n GLY 40 1 n ARG 41 1 n ASP 42 1 n VAL 43 1 n GLN 44 1 n ILE 45 1 n LEU 46 1 n ASN 47 1 n ILE 48 1 n ASP 49 1 n SER 50 1 n SER 51 1 n THR 52 1 n SER 53 1 n VAL 54 1 n ASP 55 1 n VAL 56 1 n PHE 57 1 n TYR 58 1 n LYS 59 1 n LYS 60 1 n PHE 61 1 n SER 62 1 n ASP 63 1 n SER 64 1 n GLU 65 1 n LEU 66 1 n ALA 67 1 n SER 68 1 n MET 69 1 n MET 70 1 n GLN 71 1 n ARG 72 1 n GLU 73 1 n TYR 74 1 n ASP 75 1 n ASP 76 1 n CYS 77 1 n PHE 78 1 n PRO 79 1 n LEU 80 1 n GLN 81 1 n VAL 82 1 n THR 83 1 n ALA 84 1 n THR 85 1 n LEU 86 1 n GLU 87 1 n SER 88 1 n VAL 89 1 n ILE 90 1 n GLU 91 1 n ALA 92 1 n GLY 93 1 n ASP 94 1 n ILE 95 1 n ASN 96 1 n THR 97 1 n LYS 98 1 n TRP 99 1 n PHE 100 1 n VAL 101 1 n VAL 102 1 n ASN 103 1 n ASP 104 1 n GLU 105 1 n THR 106 1 n GLY 107 1 n ALA 108 1 n LEU 109 1 n SER 110 1 n GLY 111 1 n LYS 112 1 n TYR 113 1 n GLY 114 1 n SER 115 1 n VAL 116 1 n TYR 117 1 n THR 118 1 n GLU 119 1 n SER 120 1 n GLY 121 1 n TRP 122 1 n TYR 123 1 n ILE 124 1 n CYS 125 1 n ASN 126 1 n GLU 127 1 n SER 128 1 n GLY 129 1 n GLU 130 1 n LYS 131 1 n ILE 132 1 n GLU 133 1 n ASN 134 1 n LYS 135 1 n LEU 136 1 n THR 137 1 n GLU 138 1 n ASN 139 1 n GLN 140 1 n ILE 141 1 n SER 142 1 n SER 143 1 n ILE 144 1 n ARG 145 1 n VAL 146 1 n ALA 147 1 n MET 148 1 n ASP 149 1 n ARG 150 1 n GLY 151 1 n ASP 152 1 n THR 153 1 n ALA 154 1 n THR 155 1 n TYR 156 1 n SER 157 1 n TRP 158 1 n GLU 159 1 n PHE 160 1 n ASP 161 1 n ASP 162 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-06 19:43:16)" _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 45.56 _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 33.74 1 1 A THR 2 2 38.13 1 2 A SER 3 2 41.91 1 3 A ILE 4 2 41.12 1 4 A LYS 5 2 38.90 1 5 A THR 6 2 42.91 1 6 A ILE 7 2 45.13 1 7 A GLU 8 2 47.26 1 8 A TYR 9 2 43.83 1 9 A LYS 10 2 49.69 1 10 A GLY 11 2 51.93 1 11 A ASN 12 2 46.39 1 12 A THR 13 2 52.64 1 13 A LEU 14 2 48.52 1 14 A THR 15 2 51.26 1 15 A LEU 16 2 48.43 1 16 A GLN 17 2 45.76 1 17 A LYS 18 2 41.52 1 18 A ASP 19 2 42.33 1 19 A SER 20 2 41.95 1 20 A ASP 21 2 35.50 1 21 A ALA 22 2 38.72 1 22 A ASP 23 2 37.85 1 23 A CYS 24 2 39.05 1 24 A ILE 25 2 41.24 1 25 A SER 26 2 47.04 1 26 A TYR 27 2 43.68 1 27 A GLU 28 2 47.76 1 28 A ILE 29 2 47.82 1 29 A LEU 30 2 45.38 1 30 A LEU 31 2 45.40 1 31 A ARG 32 2 40.54 1 32 A ASP 33 2 43.14 1 33 A PRO 34 2 42.21 1 34 A ILE 35 2 40.11 1 35 A LYS 36 2 33.95 1 36 A HIS 37 2 30.28 1 37 A TRP 38 2 29.66 1 38 A VAL 39 2 25.41 1 39 A GLY 40 2 27.66 1 40 A ARG 41 2 21.37 1 41 A ASP 42 2 24.92 1 42 A VAL 43 2 26.15 1 43 A GLN 44 2 24.35 1 44 A ILE 45 2 24.91 1 45 A LEU 46 2 33.30 1 46 A ASN 47 2 30.77 1 47 A ILE 48 2 32.97 1 48 A ASP 49 2 30.96 1 49 A SER 50 2 26.85 1 50 A SER 51 2 30.12 1 51 A THR 52 2 30.60 1 52 A SER 53 2 27.81 1 53 A VAL 54 2 29.61 1 54 A ASP 55 2 27.15 1 55 A VAL 56 2 28.53 1 56 A PHE 57 2 24.01 1 57 A TYR 58 2 26.40 1 58 A LYS 59 2 29.47 1 59 A LYS 60 2 32.12 1 60 A PHE 61 2 36.03 1 61 A SER 62 2 43.96 1 62 A ASP 63 2 40.72 1 63 A SER 64 2 49.42 1 64 A GLU 65 2 42.18 1 65 A LEU 66 2 37.04 1 66 A ALA 67 2 44.21 1 67 A SER 68 2 44.85 1 68 A MET 69 2 36.47 1 69 A MET 70 2 32.58 1 70 A GLN 71 2 31.08 1 71 A ARG 72 2 29.58 1 72 A GLU 73 2 28.75 1 73 A TYR 74 2 29.08 1 74 A ASP 75 2 33.13 1 75 A ASP 76 2 33.64 1 76 A CYS 77 2 31.69 1 77 A PHE 78 2 29.16 1 78 A PRO 79 2 32.52 1 79 A LEU 80 2 30.75 1 80 A GLN 81 2 29.57 1 81 A VAL 82 2 29.77 1 82 A THR 83 2 29.32 1 83 A ALA 84 2 31.14 1 84 A THR 85 2 27.26 1 85 A LEU 86 2 26.99 1 86 A GLU 87 2 24.74 1 87 A SER 88 2 28.18 1 88 A VAL 89 2 23.96 1 89 A ILE 90 2 25.58 1 90 A GLU 91 2 24.19 1 91 A ALA 92 2 28.47 1 92 A GLY 93 2 32.86 1 93 A ASP 94 2 33.19 1 94 A ILE 95 2 39.18 1 95 A ASN 96 2 48.73 1 96 A THR 97 2 58.17 1 97 A LYS 98 2 56.79 1 98 A TRP 99 2 63.35 1 99 A PHE 100 2 56.80 1 100 A VAL 101 2 60.28 1 101 A VAL 102 2 63.10 1 102 A ASN 103 2 54.74 1 103 A ASP 104 2 56.94 1 104 A GLU 105 2 50.01 1 105 A THR 106 2 56.61 1 106 A GLY 107 2 59.13 1 107 A ALA 108 2 63.53 1 108 A LEU 109 2 63.83 1 109 A SER 110 2 68.11 1 110 A GLY 111 2 73.71 1 111 A LYS 112 2 67.05 1 112 A TYR 113 2 73.27 1 113 A GLY 114 2 77.37 1 114 A SER 115 2 71.13 1 115 A VAL 116 2 69.03 1 116 A TYR 117 2 55.73 1 117 A THR 118 2 60.02 1 118 A GLU 119 2 50.98 1 119 A SER 120 2 64.57 1 120 A GLY 121 2 71.06 1 121 A TRP 122 2 67.01 1 122 A TYR 123 2 76.46 1 123 A ILE 124 2 78.88 1 124 A CYS 125 2 79.38 1 125 A ASN 126 2 79.22 1 126 A GLU 127 2 70.08 1 127 A SER 128 2 76.24 1 128 A GLY 129 2 76.56 1 129 A GLU 130 2 74.72 1 130 A LYS 131 2 77.23 1 131 A ILE 132 2 79.28 1 132 A GLU 133 2 71.59 1 133 A ASN 134 2 74.22 1 134 A LYS 135 2 74.24 1 135 A LEU 136 2 76.89 1 136 A THR 137 2 77.03 1 137 A GLU 138 2 72.67 1 138 A ASN 139 2 70.00 1 139 A GLN 140 2 72.66 1 140 A ILE 141 2 76.08 1 141 A SER 142 2 74.87 1 142 A SER 143 2 69.52 1 143 A ILE 144 2 71.00 1 144 A ARG 145 2 64.89 1 145 A VAL 146 2 67.49 1 146 A ALA 147 2 63.85 1 147 A MET 148 2 60.13 1 148 A ASP 149 2 59.31 1 149 A ARG 150 2 51.41 1 150 A GLY 151 2 49.30 1 151 A ASP 152 2 40.93 1 152 A THR 153 2 38.00 1 153 A ALA 154 2 36.70 1 154 A THR 155 2 32.99 1 155 A TYR 156 2 28.07 1 156 A SER 157 2 30.01 1 157 A TRP 158 2 25.00 1 158 A GLU 159 2 25.30 1 159 A PHE 160 2 23.01 1 160 A ASP 161 2 25.56 1 161 A ASP 162 2 23.18 1 162 # _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 SER . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n GLU . 8 A 8 A 9 1 n TYR . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n ASN . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n GLN . 17 A 17 A 18 1 n LYS . 18 A 18 A 19 1 n ASP . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ASP . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n CYS . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n TYR . 27 A 27 A 28 1 n GLU . 28 A 28 A 29 1 n ILE . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n LEU . 31 A 31 A 32 1 n ARG . 32 A 32 A 33 1 n ASP . 33 A 33 A 34 1 n PRO . 34 A 34 A 35 1 n ILE . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n HIS . 37 A 37 A 38 1 n TRP . 38 A 38 A 39 1 n VAL . 39 A 39 A 40 1 n GLY . 40 A 40 A 41 1 n ARG . 41 A 41 A 42 1 n ASP . 42 A 42 A 43 1 n VAL . 43 A 43 A 44 1 n GLN . 44 A 44 A 45 1 n ILE . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n ASN . 47 A 47 A 48 1 n ILE . 48 A 48 A 49 1 n ASP . 49 A 49 A 50 1 n SER . 50 A 50 A 51 1 n SER . 51 A 51 A 52 1 n THR . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n VAL . 54 A 54 A 55 1 n ASP . 55 A 55 A 56 1 n VAL . 56 A 56 A 57 1 n PHE . 57 A 57 A 58 1 n TYR . 58 A 58 A 59 1 n LYS . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n PHE . 61 A 61 A 62 1 n SER . 62 A 62 A 63 1 n ASP . 63 A 63 A 64 1 n SER . 64 A 64 A 65 1 n GLU . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n ALA . 67 A 67 A 68 1 n SER . 68 A 68 A 69 1 n MET . 69 A 69 A 70 1 n MET . 70 A 70 A 71 1 n GLN . 71 A 71 A 72 1 n ARG . 72 A 72 A 73 1 n GLU . 73 A 73 A 74 1 n TYR . 74 A 74 A 75 1 n ASP . 75 A 75 A 76 1 n ASP . 76 A 76 A 77 1 n CYS . 77 A 77 A 78 1 n PHE . 78 A 78 A 79 1 n PRO . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n GLN . 81 A 81 A 82 1 n VAL . 82 A 82 A 83 1 n THR . 83 A 83 A 84 1 n ALA . 84 A 84 A 85 1 n THR . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n GLU . 87 A 87 A 88 1 n SER . 88 A 88 A 89 1 n VAL . 89 A 89 A 90 1 n ILE . 90 A 90 A 91 1 n GLU . 91 A 91 A 92 1 n ALA . 92 A 92 A 93 1 n GLY . 93 A 93 A 94 1 n ASP . 94 A 94 A 95 1 n ILE . 95 A 95 A 96 1 n ASN . 96 A 96 A 97 1 n THR . 97 A 97 A 98 1 n LYS . 98 A 98 A 99 1 n TRP . 99 A 99 A 100 1 n PHE . 100 A 100 A 101 1 n VAL . 101 A 101 A 102 1 n VAL . 102 A 102 A 103 1 n ASN . 103 A 103 A 104 1 n ASP . 104 A 104 A 105 1 n GLU . 105 A 105 A 106 1 n THR . 106 A 106 A 107 1 n GLY . 107 A 107 A 108 1 n ALA . 108 A 108 A 109 1 n LEU . 109 A 109 A 110 1 n SER . 110 A 110 A 111 1 n GLY . 111 A 111 A 112 1 n LYS . 112 A 112 A 113 1 n TYR . 113 A 113 A 114 1 n GLY . 114 A 114 A 115 1 n SER . 115 A 115 A 116 1 n VAL . 116 A 116 A 117 1 n TYR . 117 A 117 A 118 1 n THR . 118 A 118 A 119 1 n GLU . 119 A 119 A 120 1 n SER . 120 A 120 A 121 1 n GLY . 121 A 121 A 122 1 n TRP . 122 A 122 A 123 1 n TYR . 123 A 123 A 124 1 n ILE . 124 A 124 A 125 1 n CYS . 125 A 125 A 126 1 n ASN . 126 A 126 A 127 1 n GLU . 127 A 127 A 128 1 n SER . 128 A 128 A 129 1 n GLY . 129 A 129 A 130 1 n GLU . 130 A 130 A 131 1 n LYS . 131 A 131 A 132 1 n ILE . 132 A 132 A 133 1 n GLU . 133 A 133 A 134 1 n ASN . 134 A 134 A 135 1 n LYS . 135 A 135 A 136 1 n LEU . 136 A 136 A 137 1 n THR . 137 A 137 A 138 1 n GLU . 138 A 138 A 139 1 n ASN . 139 A 139 A 140 1 n GLN . 140 A 140 A 141 1 n ILE . 141 A 141 A 142 1 n SER . 142 A 142 A 143 1 n SER . 143 A 143 A 144 1 n ILE . 144 A 144 A 145 1 n ARG . 145 A 145 A 146 1 n VAL . 146 A 146 A 147 1 n ALA . 147 A 147 A 148 1 n MET . 148 A 148 A 149 1 n ASP . 149 A 149 A 150 1 n ARG . 150 A 150 A 151 1 n GLY . 151 A 151 A 152 1 n ASP . 152 A 152 A 153 1 n THR . 153 A 153 A 154 1 n ALA . 154 A 154 A 155 1 n THR . 155 A 155 A 156 1 n TYR . 156 A 156 A 157 1 n SER . 157 A 157 A 158 1 n TRP . 158 A 158 A 159 1 n GLU . 159 A 159 A 160 1 n PHE . 160 A 160 A 161 1 n ASP . 161 A 161 A 162 1 n ASP . 162 A 162 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -11.874 27.061 5.130 1.00 33.29 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.747 25.750 4.459 1.00 36.68 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.313 25.645 3.988 1.00 39.20 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.848 26.581 3.357 1.00 38.11 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.711 25.627 3.271 1.00 36.01 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.162 25.413 3.722 1.00 31.57 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.323 25.363 2.332 1.00 28.65 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.897 25.216 3.206 1.00 26.39 1 A 1 ATOM 9 N N . THR A 1 2 ? -9.604 24.608 4.376 1.00 37.73 2 A 1 ATOM 10 C CA . THR A 1 2 ? -8.209 24.390 3.975 1.00 40.13 2 A 1 ATOM 11 C C . THR A 1 2 ? -8.220 23.617 2.663 1.00 41.85 2 A 1 ATOM 12 O O . THR A 1 2 ? -8.690 22.483 2.639 1.00 40.43 2 A 1 ATOM 13 C CB . THR A 1 2 ? -7.458 23.613 5.068 1.00 38.18 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -8.279 22.619 5.629 1.00 34.88 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -7.056 24.542 6.216 1.00 33.71 2 A 1 ATOM 16 N N . SER A 1 3 ? -7.769 24.246 1.586 1.00 41.06 3 A 1 ATOM 17 C CA . SER A 1 3 ? -7.655 23.625 0.268 1.00 43.13 3 A 1 ATOM 18 C C . SER A 1 3 ? -6.258 23.028 0.073 1.00 44.95 3 A 1 ATOM 19 O O . SER A 1 3 ? -5.265 23.577 0.539 1.00 43.62 3 A 1 ATOM 20 C CB . SER A 1 3 ? -7.996 24.634 -0.842 1.00 41.12 3 A 1 ATOM 21 O OG . SER A 1 3 ? -7.392 25.894 -0.602 1.00 37.56 3 A 1 ATOM 22 N N . ILE A 1 4 ? -6.181 21.897 -0.602 1.00 42.25 4 A 1 ATOM 23 C CA . ILE A 1 4 ? -4.921 21.331 -1.093 1.00 43.04 4 A 1 ATOM 24 C C . ILE A 1 4 ? -4.683 21.936 -2.475 1.00 43.68 4 A 1 ATOM 25 O O . ILE A 1 4 ? -5.515 21.777 -3.365 1.00 42.78 4 A 1 ATOM 26 C CB . ILE A 1 4 ? -4.971 19.786 -1.110 1.00 42.20 4 A 1 ATOM 27 C CG1 . ILE A 1 4 ? -5.169 19.239 0.325 1.00 39.10 4 A 1 ATOM 28 C CG2 . ILE A 1 4 ? -3.687 19.217 -1.739 1.00 38.75 4 A 1 ATOM 29 C CD1 . ILE A 1 4 ? -5.403 17.724 0.395 1.00 37.19 4 A 1 ATOM 30 N N . LYS A 1 5 ? -3.567 22.658 -2.632 1.00 41.44 5 A 1 ATOM 31 C CA . LYS A 1 5 ? -3.260 23.401 -3.866 1.00 42.97 5 A 1 ATOM 32 C C . LYS A 1 5 ? -2.612 22.524 -4.927 1.00 43.85 5 A 1 ATOM 33 O O . LYS A 1 5 ? -2.865 22.698 -6.116 1.00 42.69 5 A 1 ATOM 34 C CB . LYS A 1 5 ? -2.328 24.563 -3.497 1.00 41.16 5 A 1 ATOM 35 C CG . LYS A 1 5 ? -2.153 25.568 -4.639 1.00 37.76 5 A 1 ATOM 36 C CD . LYS A 1 5 ? -1.144 26.634 -4.210 1.00 36.11 5 A 1 ATOM 37 C CE . LYS A 1 5 ? -1.280 27.924 -5.021 1.00 33.16 5 A 1 ATOM 38 N NZ . LYS A 1 5 ? -1.077 29.082 -4.121 1.00 30.97 5 A 1 ATOM 39 N N . THR A 1 6 ? -1.742 21.631 -4.495 1.00 44.24 6 A 1 ATOM 40 C CA . THR A 1 6 ? -0.925 20.834 -5.411 1.00 45.41 6 A 1 ATOM 41 C C . THR A 1 6 ? -0.848 19.401 -4.913 1.00 46.88 6 A 1 ATOM 42 O O . THR A 1 6 ? -0.589 19.159 -3.736 1.00 45.69 6 A 1 ATOM 43 C CB . THR A 1 6 ? 0.485 21.426 -5.585 1.00 42.39 6 A 1 ATOM 44 O OG1 . THR A 1 6 ? 0.412 22.807 -5.872 1.00 38.02 6 A 1 ATOM 45 C CG2 . THR A 1 6 ? 1.240 20.788 -6.754 1.00 37.75 6 A 1 ATOM 46 N N . ILE A 1 7 ? -1.072 18.478 -5.830 1.00 46.32 7 A 1 ATOM 47 C CA . ILE A 1 7 ? -0.849 17.048 -5.639 1.00 47.82 7 A 1 ATOM 48 C C . ILE A 1 7 ? 0.190 16.643 -6.678 1.00 49.06 7 A 1 ATOM 49 O O . ILE A 1 7 ? -0.075 16.728 -7.876 1.00 48.09 7 A 1 ATOM 50 C CB . ILE A 1 7 ? -2.162 16.240 -5.776 1.00 46.22 7 A 1 ATOM 51 C CG1 . ILE A 1 7 ? -3.241 16.769 -4.798 1.00 42.48 7 A 1 ATOM 52 C CG2 . ILE A 1 7 ? -1.867 14.748 -5.553 1.00 41.64 7 A 1 ATOM 53 C CD1 . ILE A 1 7 ? -4.562 15.993 -4.806 1.00 39.43 7 A 1 ATOM 54 N N . GLU A 1 8 ? 1.365 16.237 -6.222 1.00 48.41 8 A 1 ATOM 55 C CA . GLU A 1 8 ? 2.414 15.701 -7.090 1.00 51.40 8 A 1 ATOM 56 C C . GLU A 1 8 ? 2.591 14.216 -6.797 1.00 52.30 8 A 1 ATOM 57 O O . GLU A 1 8 ? 2.687 13.801 -5.645 1.00 51.72 8 A 1 ATOM 58 C CB . GLU A 1 8 ? 3.714 16.505 -6.930 1.00 50.50 8 A 1 ATOM 59 C CG . GLU A 1 8 ? 4.772 16.062 -7.959 1.00 45.20 8 A 1 ATOM 60 C CD . GLU A 1 8 ? 6.070 16.887 -7.930 1.00 43.03 8 A 1 ATOM 61 O OE1 . GLU A 1 8 ? 6.975 16.535 -8.730 1.00 40.90 8 A 1 ATOM 62 O OE2 . GLU A 1 8 ? 6.158 17.860 -7.156 1.00 41.85 8 A 1 ATOM 63 N N . TYR A 1 9 ? 2.617 13.414 -7.845 1.00 46.60 9 A 1 ATOM 64 C CA . TYR A 1 9 ? 2.858 11.983 -7.745 1.00 48.07 9 A 1 ATOM 65 C C . TYR A 1 9 ? 4.085 11.610 -8.567 1.00 48.59 9 A 1 ATOM 66 O O . TYR A 1 9 ? 4.121 11.820 -9.781 1.00 48.12 9 A 1 ATOM 67 C CB . TYR A 1 9 ? 1.613 11.204 -8.175 1.00 47.10 9 A 1 ATOM 68 C CG . TYR A 1 9 ? 1.816 9.702 -8.112 1.00 44.21 9 A 1 ATOM 69 C CD1 . TYR A 1 9 ? 1.830 8.935 -9.293 1.00 42.27 9 A 1 ATOM 70 C CD2 . TYR A 1 9 ? 2.029 9.079 -6.870 1.00 42.07 9 A 1 ATOM 71 C CE1 . TYR A 1 9 ? 2.042 7.546 -9.226 1.00 39.90 9 A 1 ATOM 72 C CE2 . TYR A 1 9 ? 2.250 7.694 -6.801 1.00 40.54 9 A 1 ATOM 73 C CZ . TYR A 1 9 ? 2.253 6.925 -7.980 1.00 39.63 9 A 1 ATOM 74 O OH . TYR A 1 9 ? 2.456 5.588 -7.912 1.00 38.86 9 A 1 ATOM 75 N N . LYS A 1 10 ? 5.097 11.052 -7.900 1.00 52.40 10 A 1 ATOM 76 C CA . LYS A 1 10 ? 6.348 10.648 -8.539 1.00 54.37 10 A 1 ATOM 77 C C . LYS A 1 10 ? 6.841 9.324 -7.963 1.00 54.01 10 A 1 ATOM 78 O O . LYS A 1 10 ? 7.182 9.230 -6.789 1.00 51.48 10 A 1 ATOM 79 C CB . LYS A 1 10 ? 7.370 11.780 -8.383 1.00 52.79 10 A 1 ATOM 80 C CG . LYS A 1 10 ? 8.620 11.551 -9.241 1.00 48.98 10 A 1 ATOM 81 C CD . LYS A 1 10 ? 9.561 12.749 -9.087 1.00 47.94 10 A 1 ATOM 82 C CE . LYS A 1 10 ? 10.816 12.582 -9.944 1.00 44.32 10 A 1 ATOM 83 N NZ . LYS A 1 10 ? 11.703 13.758 -9.771 1.00 40.92 10 A 1 ATOM 84 N N . GLY A 1 11 ? 6.917 8.315 -8.814 1.00 52.02 11 A 1 ATOM 85 C CA . GLY A 1 11 ? 7.298 6.962 -8.393 1.00 51.93 11 A 1 ATOM 86 C C . GLY A 1 11 ? 6.255 6.357 -7.457 1.00 53.47 11 A 1 ATOM 87 O O . GLY A 1 11 ? 5.161 6.048 -7.908 1.00 50.31 11 A 1 ATOM 88 N N . ASN A 1 12 ? 6.578 6.217 -6.177 1.00 47.61 12 A 1 ATOM 89 C CA . ASN A 1 12 ? 5.656 5.769 -5.127 1.00 49.78 12 A 1 ATOM 90 C C . ASN A 1 12 ? 5.383 6.868 -4.085 1.00 51.27 12 A 1 ATOM 91 O O . ASN A 1 12 ? 4.881 6.575 -3.008 1.00 49.86 12 A 1 ATOM 92 C CB . ASN A 1 12 ? 6.200 4.485 -4.473 1.00 47.72 12 A 1 ATOM 93 C CG . ASN A 1 12 ? 6.140 3.253 -5.355 1.00 43.70 12 A 1 ATOM 94 O OD1 . ASN A 1 12 ? 5.740 3.256 -6.506 1.00 40.86 12 A 1 ATOM 95 N ND2 . ASN A 1 12 ? 6.564 2.125 -4.838 1.00 40.32 12 A 1 ATOM 96 N N . THR A 1 13 ? 5.730 8.105 -4.384 1.00 52.87 13 A 1 ATOM 97 C CA . THR A 1 13 ? 5.589 9.227 -3.455 1.00 55.28 13 A 1 ATOM 98 C C . THR A 1 13 ? 4.441 10.128 -3.890 1.00 56.45 13 A 1 ATOM 99 O O . THR A 1 13 ? 4.396 10.584 -5.036 1.00 55.60 13 A 1 ATOM 100 C CB . THR A 1 13 ? 6.893 10.022 -3.342 1.00 53.60 13 A 1 ATOM 101 O OG1 . THR A 1 13 ? 7.967 9.154 -3.047 1.00 47.18 13 A 1 ATOM 102 C CG2 . THR A 1 13 ? 6.834 11.052 -2.217 1.00 47.50 13 A 1 ATOM 103 N N . LEU A 1 14 ? 3.525 10.391 -2.973 1.00 49.15 14 A 1 ATOM 104 C CA . LEU A 1 14 ? 2.445 11.360 -3.113 1.00 51.20 14 A 1 ATOM 105 C C . LEU A 1 14 ? 2.762 12.578 -2.242 1.00 51.42 14 A 1 ATOM 106 O O . LEU A 1 14 ? 2.820 12.468 -1.021 1.00 50.96 14 A 1 ATOM 107 C CB . LEU A 1 14 ? 1.122 10.680 -2.711 1.00 50.57 14 A 1 ATOM 108 C CG . LEU A 1 14 ? -0.121 11.578 -2.845 1.00 46.81 14 A 1 ATOM 109 C CD1 . LEU A 1 14 ? -0.471 11.838 -4.308 1.00 44.32 14 A 1 ATOM 110 C CD2 . LEU A 1 14 ? -1.321 10.901 -2.183 1.00 43.75 14 A 1 ATOM 111 N N . THR A 1 15 ? 2.946 13.728 -2.860 1.00 53.43 15 A 1 ATOM 112 C CA . THR A 1 15 ? 3.180 14.994 -2.159 1.00 54.27 15 A 1 ATOM 113 C C . THR A 1 15 ? 1.918 15.847 -2.199 1.00 54.17 15 A 1 ATOM 114 O O . THR A 1 15 ? 1.380 16.132 -3.269 1.00 52.68 15 A 1 ATOM 115 C CB . THR A 1 15 ? 4.383 15.750 -2.734 1.00 52.01 15 A 1 ATOM 116 O OG1 . THR A 1 15 ? 5.512 14.907 -2.759 1.00 46.27 15 A 1 ATOM 117 C CG2 . THR A 1 15 ? 4.757 16.968 -1.886 1.00 45.97 15 A 1 ATOM 118 N N . LEU A 1 16 ? 1.442 16.250 -1.033 1.00 50.75 16 A 1 ATOM 119 C CA . LEU A 1 16 ? 0.263 17.096 -0.858 1.00 51.74 16 A 1 ATOM 120 C C . LEU A 1 16 ? 0.697 18.440 -0.285 1.00 51.80 16 A 1 ATOM 121 O O . LEU A 1 16 ? 1.244 18.485 0.814 1.00 50.61 16 A 1 ATOM 122 C CB . LEU A 1 16 ? -0.739 16.408 0.089 1.00 50.01 16 A 1 ATOM 123 C CG . LEU A 1 16 ? -1.237 15.023 -0.355 1.00 46.14 16 A 1 ATOM 124 C CD1 . LEU A 1 16 ? -2.175 14.456 0.710 1.00 43.52 16 A 1 ATOM 125 C CD2 . LEU A 1 16 ? -1.997 15.088 -1.675 1.00 42.87 16 A 1 ATOM 126 N N . GLN A 1 17 ? 0.429 19.530 -0.986 1.00 49.49 17 A 1 ATOM 127 C CA . GLN A 1 17 ? 0.712 20.879 -0.497 1.00 50.14 17 A 1 ATOM 128 C C . GLN A 1 17 ? -0.581 21.611 -0.137 1.00 49.85 17 A 1 ATOM 129 O O . GLN A 1 17 ? -1.487 21.759 -0.960 1.00 48.49 17 A 1 ATOM 130 C CB . GLN A 1 17 ? 1.565 21.634 -1.523 1.00 48.40 17 A 1 ATOM 131 C CG . GLN A 1 17 ? 2.147 22.925 -0.917 1.00 44.19 17 A 1 ATOM 132 C CD . GLN A 1 17 ? 3.073 23.665 -1.878 1.00 41.63 17 A 1 ATOM 133 O OE1 . GLN A 1 17 ? 3.174 23.383 -3.061 1.00 40.58 17 A 1 ATOM 134 N NE2 . GLN A 1 17 ? 3.788 24.660 -1.400 1.00 39.09 17 A 1 ATOM 135 N N . LYS A 1 18 ? -0.655 22.073 1.093 1.00 45.17 18 A 1 ATOM 136 C CA . LYS A 1 18 ? -1.765 22.889 1.593 1.00 45.66 18 A 1 ATOM 137 C C . LYS A 1 18 ? -1.629 24.328 1.090 1.00 45.26 18 A 1 ATOM 138 O O . LYS A 1 18 ? -0.546 24.905 1.154 1.00 43.72 18 A 1 ATOM 139 C CB . LYS A 1 18 ? -1.770 22.793 3.127 1.00 44.15 18 A 1 ATOM 140 C CG . LYS A 1 18 ? -2.959 23.494 3.794 1.00 40.46 18 A 1 ATOM 141 C CD . LYS A 1 18 ? -2.807 23.395 5.317 1.00 38.48 18 A 1 ATOM 142 C CE . LYS A 1 18 ? -3.824 24.280 6.030 1.00 36.65 18 A 1 ATOM 143 N NZ . LYS A 1 18 ? -3.465 24.446 7.463 1.00 34.09 18 A 1 ATOM 144 N N . ASP A 1 19 ? -2.727 24.904 0.622 1.00 45.38 19 A 1 ATOM 145 C CA . ASP A 1 19 ? -2.815 26.319 0.256 1.00 45.77 19 A 1 ATOM 146 C C . ASP A 1 19 ? -3.315 27.127 1.460 1.00 45.22 19 A 1 ATOM 147 O O . ASP A 1 19 ? -4.510 27.150 1.764 1.00 43.03 19 A 1 ATOM 148 C CB . ASP A 1 19 ? -3.721 26.499 -0.974 1.00 43.06 19 A 1 ATOM 149 C CG . ASP A 1 19 ? -3.478 27.806 -1.748 1.00 40.23 19 A 1 ATOM 150 O OD1 . ASP A 1 19 ? -2.407 28.429 -1.582 1.00 37.99 19 A 1 ATOM 151 O OD2 . ASP A 1 19 ? -4.259 28.079 -2.690 1.00 37.99 19 A 1 ATOM 152 N N . SER A 1 20 ? -2.382 27.736 2.175 1.00 44.52 20 A 1 ATOM 153 C CA . SER A 1 20 ? -2.714 28.812 3.110 1.00 44.67 20 A 1 ATOM 154 C C . SER A 1 20 ? -1.578 29.826 3.117 1.00 44.23 20 A 1 ATOM 155 O O . SER A 1 20 ? -0.422 29.443 3.279 1.00 40.59 20 A 1 ATOM 156 C CB . SER A 1 20 ? -2.996 28.299 4.531 1.00 40.77 20 A 1 ATOM 157 O OG . SER A 1 20 ? -1.931 27.551 5.083 1.00 36.94 20 A 1 ATOM 158 N N . ASP A 1 21 ? -1.916 31.104 2.988 1.00 38.31 21 A 1 ATOM 159 C CA . ASP A 1 21 ? -0.964 32.221 2.863 1.00 39.28 21 A 1 ATOM 160 C C . ASP A 1 21 ? -0.013 32.412 4.070 1.00 39.18 21 A 1 ATOM 161 O O . ASP A 1 21 ? 0.818 33.318 4.053 1.00 36.50 21 A 1 ATOM 162 C CB . ASP A 1 21 ? -1.759 33.516 2.603 1.00 36.27 21 A 1 ATOM 163 C CG . ASP A 1 21 ? -2.451 33.566 1.231 1.00 33.10 21 A 1 ATOM 164 O OD1 . ASP A 1 21 ? -1.840 33.107 0.239 1.00 30.94 21 A 1 ATOM 165 O OD2 . ASP A 1 21 ? -3.594 34.074 1.178 1.00 30.45 21 A 1 ATOM 166 N N . ALA A 1 22 ? -0.115 31.593 5.113 1.00 39.44 22 A 1 ATOM 167 C CA . ALA A 1 22 ? 0.681 31.701 6.338 1.00 39.61 22 A 1 ATOM 168 C C . ALA A 1 22 ? 1.464 30.425 6.709 1.00 40.51 22 A 1 ATOM 169 O O . ALA A 1 22 ? 2.487 30.539 7.367 1.00 38.04 22 A 1 ATOM 170 C CB . ALA A 1 22 ? -0.252 32.149 7.466 1.00 36.00 22 A 1 ATOM 171 N N . ASP A 1 23 ? 1.015 29.236 6.297 1.00 40.30 23 A 1 ATOM 172 C CA . ASP A 1 23 ? 1.644 27.962 6.672 1.00 41.27 23 A 1 ATOM 173 C C . ASP A 1 23 ? 1.636 26.996 5.479 1.00 42.12 23 A 1 ATOM 174 O O . ASP A 1 23 ? 0.678 26.234 5.274 1.00 40.28 23 A 1 ATOM 175 C CB . ASP A 1 23 ? 0.905 27.322 7.863 1.00 38.58 23 A 1 ATOM 176 C CG . ASP A 1 23 ? 0.939 28.117 9.171 1.00 35.11 23 A 1 ATOM 177 O OD1 . ASP A 1 23 ? 2.034 28.530 9.592 1.00 32.53 23 A 1 ATOM 178 O OD2 . ASP A 1 23 ? -0.156 28.224 9.776 1.00 32.60 23 A 1 ATOM 179 N N . CYS A 1 24 ? 2.699 27.010 4.684 1.00 38.98 24 A 1 ATOM 180 C CA . CYS A 1 24 ? 2.873 26.028 3.619 1.00 40.38 24 A 1 ATOM 181 C C . CYS A 1 24 ? 3.241 24.669 4.227 1.00 41.79 24 A 1 ATOM 182 O O . CYS A 1 24 ? 4.415 24.355 4.400 1.00 40.64 24 A 1 ATOM 183 C CB . CYS A 1 24 ? 3.931 26.526 2.620 1.00 38.31 24 A 1 ATOM 184 S SG . CYS A 1 24 ? 3.250 27.842 1.578 1.00 34.20 24 A 1 ATOM 185 N N . ILE A 1 25 ? 2.255 23.848 4.562 1.00 41.91 25 A 1 ATOM 186 C CA . ILE A 1 25 ? 2.495 22.479 5.041 1.00 44.00 25 A 1 ATOM 187 C C . ILE A 1 25 ? 2.498 21.535 3.840 1.00 45.39 25 A 1 ATOM 188 O O . ILE A 1 25 ? 1.523 21.482 3.087 1.00 44.29 25 A 1 ATOM 189 C CB . ILE A 1 25 ? 1.490 22.060 6.135 1.00 42.16 25 A 1 ATOM 190 C CG1 . ILE A 1 25 ? 1.525 23.054 7.321 1.00 38.30 25 A 1 ATOM 191 C CG2 . ILE A 1 25 ? 1.815 20.635 6.622 1.00 37.94 25 A 1 ATOM 192 C CD1 . ILE A 1 25 ? 0.477 22.789 8.407 1.00 35.96 25 A 1 ATOM 193 N N . SER A 1 26 ? 3.585 20.792 3.681 1.00 46.86 26 A 1 ATOM 194 C CA . SER A 1 26 ? 3.705 19.731 2.685 1.00 48.60 26 A 1 ATOM 195 C C . SER A 1 26 ? 3.705 18.370 3.372 1.00 49.67 26 A 1 ATOM 196 O O . SER A 1 26 ? 4.477 18.127 4.298 1.00 48.57 26 A 1 ATOM 197 C CB . SER A 1 26 ? 4.954 19.906 1.825 1.00 46.75 26 A 1 ATOM 198 O OG . SER A 1 26 ? 4.831 21.075 1.030 1.00 41.81 26 A 1 ATOM 199 N N . TYR A 1 27 ? 2.846 17.488 2.906 1.00 47.89 27 A 1 ATOM 200 C CA . TYR A 1 27 ? 2.787 16.097 3.343 1.00 49.95 27 A 1 ATOM 201 C C . TYR A 1 27 ? 3.413 15.226 2.268 1.00 51.64 27 A 1 ATOM 202 O O . TYR A 1 27 ? 2.972 15.260 1.123 1.00 50.90 27 A 1 ATOM 203 C CB . TYR A 1 27 ? 1.338 15.684 3.616 1.00 47.78 27 A 1 ATOM 204 C CG . TYR A 1 27 ? 0.654 16.521 4.682 1.00 43.69 27 A 1 ATOM 205 C CD1 . TYR A 1 27 ? 0.796 16.181 6.040 1.00 41.03 27 A 1 ATOM 206 C CD2 . TYR A 1 27 ? -0.103 17.654 4.316 1.00 40.61 27 A 1 ATOM 207 C CE1 . TYR A 1 27 ? 0.178 16.964 7.032 1.00 38.02 27 A 1 ATOM 208 C CE2 . TYR A 1 27 ? -0.719 18.441 5.306 1.00 38.02 27 A 1 ATOM 209 C CZ . TYR A 1 27 ? -0.580 18.095 6.666 1.00 37.31 27 A 1 ATOM 210 O OH . TYR A 1 27 ? -1.177 18.856 7.625 1.00 37.29 27 A 1 ATOM 211 N N . GLU A 1 28 ? 4.417 14.446 2.645 1.00 49.53 28 A 1 ATOM 212 C CA . GLU A 1 28 ? 5.017 13.442 1.774 1.00 51.63 28 A 1 ATOM 213 C C . GLU A 1 28 ? 4.579 12.057 2.250 1.00 51.97 28 A 1 ATOM 214 O O . GLU A 1 28 ? 4.889 11.627 3.362 1.00 51.54 28 A 1 ATOM 215 C CB . GLU A 1 28 ? 6.538 13.630 1.737 1.00 50.79 28 A 1 ATOM 216 C CG . GLU A 1 28 ? 7.170 12.745 0.658 1.00 45.81 28 A 1 ATOM 217 C CD . GLU A 1 28 ? 8.685 12.949 0.507 1.00 43.79 28 A 1 ATOM 218 O OE1 . GLU A 1 28 ? 9.245 12.318 -0.422 1.00 42.01 28 A 1 ATOM 219 O OE2 . GLU A 1 28 ? 9.282 13.705 1.302 1.00 42.74 28 A 1 ATOM 220 N N . ILE A 1 29 ? 3.820 11.373 1.422 1.00 50.34 29 A 1 ATOM 221 C CA . ILE A 1 29 ? 3.268 10.052 1.705 1.00 50.95 29 A 1 ATOM 222 C C . ILE A 1 29 ? 3.992 9.056 0.808 1.00 51.15 29 A 1 ATOM 223 O O . ILE A 1 29 ? 3.816 9.063 -0.409 1.00 49.73 29 A 1 ATOM 224 C CB . ILE A 1 29 ? 1.737 10.035 1.498 1.00 49.21 29 A 1 ATOM 225 C CG1 . ILE A 1 29 ? 1.040 11.133 2.341 1.00 44.94 29 A 1 ATOM 226 C CG2 . ILE A 1 29 ? 1.195 8.643 1.852 1.00 43.92 29 A 1 ATOM 227 C CD1 . ILE A 1 29 ? -0.479 11.222 2.127 1.00 42.30 29 A 1 ATOM 228 N N . LEU A 1 30 ? 4.804 8.199 1.417 1.00 48.95 30 A 1 ATOM 229 C CA . LEU A 1 30 ? 5.450 7.111 0.694 1.00 49.86 30 A 1 ATOM 230 C C . LEU A 1 30 ? 4.499 5.911 0.626 1.00 50.51 30 A 1 ATOM 231 O O . LEU A 1 30 ? 4.149 5.313 1.646 1.00 49.15 30 A 1 ATOM 232 C CB . LEU A 1 30 ? 6.797 6.775 1.354 1.00 46.94 30 A 1 ATOM 233 C CG . LEU A 1 30 ? 7.666 5.842 0.497 1.00 41.52 30 A 1 ATOM 234 C CD1 . LEU A 1 30 ? 8.223 6.552 -0.740 1.00 37.91 30 A 1 ATOM 235 C CD2 . LEU A 1 30 ? 8.855 5.340 1.322 1.00 38.23 30 A 1 ATOM 236 N N . LEU A 1 31 ? 4.086 5.574 -0.581 1.00 47.22 31 A 1 ATOM 237 C CA . LEU A 1 31 ? 3.215 4.445 -0.873 1.00 48.05 31 A 1 ATOM 238 C C . LEU A 1 31 ? 4.064 3.205 -1.163 1.00 47.46 31 A 1 ATOM 239 O O . LEU A 1 31 ? 5.074 3.264 -1.864 1.00 46.77 31 A 1 ATOM 240 C CB . LEU A 1 31 ? 2.292 4.799 -2.050 1.00 46.70 31 A 1 ATOM 241 C CG . LEU A 1 31 ? 1.438 6.065 -1.844 1.00 43.82 31 A 1 ATOM 242 C CD1 . LEU A 1 31 ? 0.668 6.359 -3.123 1.00 41.74 31 A 1 ATOM 243 C CD2 . LEU A 1 31 ? 0.433 5.913 -0.709 1.00 41.40 31 A 1 ATOM 244 N N . ARG A 1 32 ? 3.632 2.061 -0.633 1.00 48.01 32 A 1 ATOM 245 C CA . ARG A 1 32 ? 4.312 0.778 -0.868 1.00 47.89 32 A 1 ATOM 246 C C . ARG A 1 32 ? 4.126 0.262 -2.298 1.00 48.27 32 A 1 ATOM 247 O O . ARG A 1 32 ? 5.006 -0.407 -2.819 1.00 46.21 32 A 1 ATOM 248 C CB . ARG A 1 32 ? 3.823 -0.255 0.160 1.00 44.84 32 A 1 ATOM 249 C CG . ARG A 1 32 ? 4.964 -0.781 1.032 1.00 40.39 32 A 1 ATOM 250 C CD . ARG A 1 32 ? 4.443 -1.833 2.007 1.00 38.24 32 A 1 ATOM 251 N NE . ARG A 1 32 ? 5.492 -2.277 2.946 1.00 35.93 32 A 1 ATOM 252 C CZ . ARG A 1 32 ? 5.373 -3.249 3.833 1.00 32.80 32 A 1 ATOM 253 N NH1 . ARG A 1 32 ? 4.291 -3.966 3.930 1.00 31.68 32 A 1 ATOM 254 N NH2 . ARG A 1 32 ? 6.343 -3.515 4.661 1.00 31.63 32 A 1 ATOM 255 N N . ASP A 1 33 ? 2.994 0.592 -2.905 1.00 45.09 33 A 1 ATOM 256 C CA . ASP A 1 33 ? 2.640 0.210 -4.273 1.00 46.70 33 A 1 ATOM 257 C C . ASP A 1 33 ? 2.245 1.465 -5.087 1.00 47.35 33 A 1 ATOM 258 O O . ASP A 1 33 ? 1.668 2.405 -4.530 1.00 45.93 33 A 1 ATOM 259 C CB . ASP A 1 33 ? 1.504 -0.830 -4.255 1.00 44.31 33 A 1 ATOM 260 C CG . ASP A 1 33 ? 1.881 -2.178 -3.604 1.00 40.29 33 A 1 ATOM 261 O OD1 . ASP A 1 33 ? 2.742 -2.914 -4.153 1.00 37.89 33 A 1 ATOM 262 O OD2 . ASP A 1 33 ? 1.254 -2.541 -2.588 1.00 37.56 33 A 1 ATOM 263 N N . PRO A 1 34 ? 2.518 1.514 -6.399 1.00 42.94 34 A 1 ATOM 264 C CA . PRO A 1 34 ? 2.157 2.651 -7.241 1.00 43.14 34 A 1 ATOM 265 C C . PRO A 1 34 ? 0.634 2.809 -7.383 1.00 43.36 34 A 1 ATOM 266 O O . PRO A 1 34 ? -0.102 1.828 -7.496 1.00 42.85 34 A 1 ATOM 267 C CB . PRO A 1 34 ? 2.841 2.396 -8.586 1.00 41.40 34 A 1 ATOM 268 C CG . PRO A 1 34 ? 2.998 0.876 -8.629 1.00 40.01 34 A 1 ATOM 269 C CD . PRO A 1 34 ? 3.212 0.501 -7.170 1.00 41.79 34 A 1 ATOM 270 N N . ILE A 1 35 ? 0.162 4.058 -7.450 1.00 41.30 35 A 1 ATOM 271 C CA . ILE A 1 35 ? -1.248 4.381 -7.725 1.00 41.47 35 A 1 ATOM 272 C C . ILE A 1 35 ? -1.584 3.936 -9.154 1.00 41.25 35 A 1 ATOM 273 O O . ILE A 1 35 ? -0.989 4.419 -10.118 1.00 40.89 35 A 1 ATOM 274 C CB . ILE A 1 35 ? -1.545 5.888 -7.523 1.00 40.70 35 A 1 ATOM 275 C CG1 . ILE A 1 35 ? -1.255 6.318 -6.068 1.00 38.82 35 A 1 ATOM 276 C CG2 . ILE A 1 35 ? -3.006 6.217 -7.888 1.00 38.63 35 A 1 ATOM 277 C CD1 . ILE A 1 35 ? -1.384 7.829 -5.811 1.00 37.78 35 A 1 ATOM 278 N N . LYS A 1 36 ? -2.549 3.033 -9.292 1.00 37.79 36 A 1 ATOM 279 C CA . LYS A 1 36 ? -2.938 2.474 -10.598 1.00 37.96 36 A 1 ATOM 280 C C . LYS A 1 36 ? -4.030 3.266 -11.309 1.00 38.28 36 A 1 ATOM 281 O O . LYS A 1 36 ? -4.044 3.319 -12.534 1.00 37.08 36 A 1 ATOM 282 C CB . LYS A 1 36 ? -3.366 1.018 -10.432 1.00 35.84 36 A 1 ATOM 283 C CG . LYS A 1 36 ? -2.182 0.137 -10.031 1.00 32.84 36 A 1 ATOM 284 C CD . LYS A 1 36 ? -2.606 -1.324 -10.045 1.00 30.93 36 A 1 ATOM 285 C CE . LYS A 1 36 ? -1.406 -2.208 -9.725 1.00 28.60 36 A 1 ATOM 286 N NZ . LYS A 1 36 ? -1.766 -3.621 -9.920 1.00 26.23 36 A 1 ATOM 287 N N . HIS A 1 37 ? -4.934 3.877 -10.559 1.00 33.47 37 A 1 ATOM 288 C CA . HIS A 1 37 ? -6.036 4.665 -11.107 1.00 34.02 37 A 1 ATOM 289 C C . HIS A 1 37 ? -6.291 5.907 -10.259 1.00 34.47 37 A 1 ATOM 290 O O . HIS A 1 37 ? -6.397 5.827 -9.039 1.00 33.52 37 A 1 ATOM 291 C CB . HIS A 1 37 ? -7.305 3.804 -11.217 1.00 32.19 37 A 1 ATOM 292 C CG . HIS A 1 37 ? -7.189 2.737 -12.281 1.00 29.67 37 A 1 ATOM 293 N ND1 . HIS A 1 37 ? -7.219 2.941 -13.640 1.00 27.42 37 A 1 ATOM 294 C CD2 . HIS A 1 37 ? -6.978 1.396 -12.083 1.00 27.29 37 A 1 ATOM 295 C CE1 . HIS A 1 37 ? -7.026 1.758 -14.245 1.00 25.13 37 A 1 ATOM 296 N NE2 . HIS A 1 37 ? -6.871 0.788 -13.338 1.00 25.63 37 A 1 ATOM 297 N N . TRP A 1 38 ? -6.432 7.045 -10.919 1.00 32.65 38 A 1 ATOM 298 C CA . TRP A 1 38 ? -6.856 8.300 -10.310 1.00 32.56 38 A 1 ATOM 299 C C . TRP A 1 38 ? -8.121 8.776 -11.024 1.00 31.90 38 A 1 ATOM 300 O O . TRP A 1 38 ? -8.123 8.952 -12.245 1.00 30.98 38 A 1 ATOM 301 C CB . TRP A 1 38 ? -5.711 9.320 -10.367 1.00 31.92 38 A 1 ATOM 302 C CG . TRP A 1 38 ? -5.925 10.582 -9.586 1.00 30.94 38 A 1 ATOM 303 C CD1 . TRP A 1 38 ? -6.602 10.695 -8.418 1.00 29.13 38 A 1 ATOM 304 C CD2 . TRP A 1 38 ? -5.441 11.931 -9.889 1.00 29.53 38 A 1 ATOM 305 N NE1 . TRP A 1 38 ? -6.570 12.009 -7.987 1.00 27.89 38 A 1 ATOM 306 C CE2 . TRP A 1 38 ? -5.857 12.807 -8.847 1.00 28.52 38 A 1 ATOM 307 C CE3 . TRP A 1 38 ? -4.677 12.494 -10.929 1.00 28.81 38 A 1 ATOM 308 C CZ2 . TRP A 1 38 ? -5.529 14.172 -8.845 1.00 26.98 38 A 1 ATOM 309 C CZ3 . TRP A 1 38 ? -4.344 13.860 -10.934 1.00 26.68 38 A 1 ATOM 310 C CH2 . TRP A 1 38 ? -4.767 14.697 -9.891 1.00 26.72 38 A 1 ATOM 311 N N . VAL A 1 39 ? -9.203 8.968 -10.272 1.00 27.68 39 A 1 ATOM 312 C CA . VAL A 1 39 ? -10.485 9.459 -10.799 1.00 27.00 39 A 1 ATOM 313 C C . VAL A 1 39 ? -10.891 10.688 -9.997 1.00 27.57 39 A 1 ATOM 314 O O . VAL A 1 39 ? -11.299 10.577 -8.847 1.00 26.77 39 A 1 ATOM 315 C CB . VAL A 1 39 ? -11.582 8.370 -10.777 1.00 24.82 39 A 1 ATOM 316 C CG1 . VAL A 1 39 ? -12.864 8.884 -11.451 1.00 22.00 39 A 1 ATOM 317 C CG2 . VAL A 1 39 ? -11.150 7.099 -11.526 1.00 22.04 39 A 1 ATOM 318 N N . GLY A 1 40 ? -10.771 11.873 -10.606 1.00 27.66 40 A 1 ATOM 319 C CA . GLY A 1 40 ? -11.255 13.115 -10.001 1.00 27.63 40 A 1 ATOM 320 C C . GLY A 1 40 ? -10.924 14.329 -10.864 1.00 28.20 40 A 1 ATOM 321 O O . GLY A 1 40 ? -9.776 14.527 -11.239 1.00 27.15 40 A 1 ATOM 322 N N . ARG A 1 41 ? -11.934 15.130 -11.210 1.00 24.66 41 A 1 ATOM 323 C CA . ARG A 1 41 ? -11.758 16.340 -12.033 1.00 24.62 41 A 1 ATOM 324 C C . ARG A 1 41 ? -11.621 17.638 -11.232 1.00 25.24 41 A 1 ATOM 325 O O . ARG A 1 41 ? -11.118 18.594 -11.785 1.00 24.58 41 A 1 ATOM 326 C CB . ARG A 1 41 ? -12.827 16.415 -13.141 1.00 23.17 41 A 1 ATOM 327 C CG . ARG A 1 41 ? -12.170 16.526 -14.527 1.00 20.98 41 A 1 ATOM 328 C CD . ARG A 1 41 ? -13.216 16.623 -15.638 1.00 19.82 41 A 1 ATOM 329 N NE . ARG A 1 41 ? -12.585 16.618 -16.976 1.00 18.43 41 A 1 ATOM 330 C CZ . ARG A 1 41 ? -13.215 16.706 -18.138 1.00 17.61 41 A 1 ATOM 331 N NH1 . ARG A 1 41 ? -14.515 16.824 -18.204 1.00 18.07 41 A 1 ATOM 332 N NH2 . ARG A 1 41 ? -12.546 16.675 -19.254 1.00 17.94 41 A 1 ATOM 333 N N . ASP A 1 42 ? -11.991 17.623 -9.948 1.00 26.87 42 A 1 ATOM 334 C CA . ASP A 1 42 ? -11.827 18.740 -9.006 1.00 26.93 42 A 1 ATOM 335 C C . ASP A 1 42 ? -11.703 18.167 -7.585 1.00 27.46 42 A 1 ATOM 336 O O . ASP A 1 42 ? -12.700 17.867 -6.929 1.00 26.50 42 A 1 ATOM 337 C CB . ASP A 1 42 ? -13.033 19.699 -9.101 1.00 25.27 42 A 1 ATOM 338 C CG . ASP A 1 42 ? -12.978 20.617 -10.326 1.00 23.16 42 A 1 ATOM 339 O OD1 . ASP A 1 42 ? -11.935 21.292 -10.489 1.00 21.76 42 A 1 ATOM 340 O OD2 . ASP A 1 42 ? -13.985 20.658 -11.067 1.00 21.44 42 A 1 ATOM 341 N N . VAL A 1 43 ? -10.479 17.939 -7.115 1.00 27.07 43 A 1 ATOM 342 C CA . VAL A 1 43 ? -10.254 17.278 -5.819 1.00 27.41 43 A 1 ATOM 343 C C . VAL A 1 43 ? -10.057 18.324 -4.721 1.00 27.68 43 A 1 ATOM 344 O O . VAL A 1 43 ? -8.961 18.837 -4.511 1.00 27.12 43 A 1 ATOM 345 C CB . VAL A 1 43 ? -9.106 16.249 -5.881 1.00 26.02 43 A 1 ATOM 346 C CG1 . VAL A 1 43 ? -9.004 15.452 -4.572 1.00 23.84 43 A 1 ATOM 347 C CG2 . VAL A 1 43 ? -9.322 15.226 -7.004 1.00 23.93 43 A 1 ATOM 348 N N . GLN A 1 44 ? -11.135 18.618 -3.991 1.00 26.48 44 A 1 ATOM 349 C CA . GLN A 1 44 ? -11.061 19.300 -2.688 1.00 26.92 44 A 1 ATOM 350 C C . GLN A 1 44 ? -10.871 18.319 -1.519 1.00 27.59 44 A 1 ATOM 351 O O . GLN A 1 44 ? -10.561 18.743 -0.408 1.00 26.47 44 A 1 ATOM 352 C CB . GLN A 1 44 ? -12.304 20.177 -2.476 1.00 25.56 44 A 1 ATOM 353 C CG . GLN A 1 44 ? -12.282 21.419 -3.381 1.00 23.18 44 A 1 ATOM 354 C CD . GLN A 1 44 ? -13.407 22.405 -3.094 1.00 21.56 44 A 1 ATOM 355 O OE1 . GLN A 1 44 ? -14.335 22.182 -2.329 1.00 20.77 44 A 1 ATOM 356 N NE2 . GLN A 1 44 ? -13.372 23.571 -3.699 1.00 20.58 44 A 1 ATOM 357 N N . ILE A 1 45 ? -11.051 17.032 -1.761 1.00 26.92 45 A 1 ATOM 358 C CA . ILE A 1 45 ? -10.926 15.956 -0.772 1.00 26.81 45 A 1 ATOM 359 C C . ILE A 1 45 ? -10.308 14.741 -1.470 1.00 27.57 45 A 1 ATOM 360 O O . ILE A 1 45 ? -10.882 14.213 -2.419 1.00 26.76 45 A 1 ATOM 361 C CB . ILE A 1 45 ? -12.305 15.615 -0.146 1.00 25.10 45 A 1 ATOM 362 C CG1 . ILE A 1 45 ? -12.974 16.870 0.473 1.00 22.73 45 A 1 ATOM 363 C CG2 . ILE A 1 45 ? -12.148 14.509 0.915 1.00 22.31 45 A 1 ATOM 364 C CD1 . ILE A 1 45 ? -14.373 16.643 1.053 1.00 21.11 45 A 1 ATOM 365 N N . LEU A 1 46 ? -9.145 14.299 -0.985 1.00 34.89 46 A 1 ATOM 366 C CA . LEU A 1 46 ? -8.581 13.008 -1.366 1.00 35.42 46 A 1 ATOM 367 C C . LEU A 1 46 ? -9.403 11.916 -0.671 1.00 35.47 46 A 1 ATOM 368 O O . LEU A 1 46 ? -9.252 11.707 0.530 1.00 34.28 46 A 1 ATOM 369 C CB . LEU A 1 46 ? -7.088 12.974 -0.977 1.00 34.24 46 A 1 ATOM 370 C CG . LEU A 1 46 ? -6.342 11.733 -1.502 1.00 31.97 46 A 1 ATOM 371 C CD1 . LEU A 1 46 ? -6.007 11.873 -2.986 1.00 29.97 46 A 1 ATOM 372 C CD2 . LEU A 1 46 ? -5.034 11.543 -0.735 1.00 30.20 46 A 1 ATOM 373 N N . ASN A 1 47 ? -10.288 11.275 -1.406 1.00 32.51 47 A 1 ATOM 374 C CA . ASN A 1 47 ? -11.031 10.125 -0.894 1.00 32.98 47 A 1 ATOM 375 C C . ASN A 1 47 ? -10.212 8.874 -1.225 1.00 33.19 47 A 1 ATOM 376 O O . ASN A 1 47 ? -10.210 8.414 -2.366 1.00 31.75 47 A 1 ATOM 377 C CB . ASN A 1 47 ? -12.464 10.125 -1.475 1.00 31.52 47 A 1 ATOM 378 C CG . ASN A 1 47 ? -13.547 9.869 -0.440 1.00 29.35 47 A 1 ATOM 379 O OD1 . ASN A 1 47 ? -13.332 9.824 0.754 1.00 27.59 47 A 1 ATOM 380 N ND2 . ASN A 1 47 ? -14.781 9.742 -0.864 1.00 27.27 47 A 1 ATOM 381 N N . ILE A 1 48 ? -9.455 8.384 -0.246 1.00 34.48 48 A 1 ATOM 382 C CA . ILE A 1 48 ? -8.805 7.074 -0.338 1.00 34.45 48 A 1 ATOM 383 C C . ILE A 1 48 ? -9.896 6.058 -0.005 1.00 33.65 48 A 1 ATOM 384 O O . ILE A 1 48 ? -10.514 6.154 1.055 1.00 32.54 48 A 1 ATOM 385 C CB . ILE A 1 48 ? -7.565 6.979 0.583 1.00 33.69 48 A 1 ATOM 386 C CG1 . ILE A 1 48 ? -6.560 8.114 0.269 1.00 32.04 48 A 1 ATOM 387 C CG2 . ILE A 1 48 ? -6.902 5.602 0.412 1.00 31.79 48 A 1 ATOM 388 C CD1 . ILE A 1 48 ? -5.332 8.161 1.190 1.00 31.08 48 A 1 ATOM 389 N N . ASP A 1 49 ? -10.180 5.171 -0.941 1.00 32.88 49 A 1 ATOM 390 C CA . ASP A 1 49 ? -11.251 4.179 -0.817 1.00 33.28 49 A 1 ATOM 391 C C . ASP A 1 49 ? -11.086 3.360 0.471 1.00 33.35 49 A 1 ATOM 392 O O . ASP A 1 49 ? -10.022 2.804 0.743 1.00 32.09 49 A 1 ATOM 393 C CB . ASP A 1 49 ? -11.262 3.301 -2.080 1.00 31.57 49 A 1 ATOM 394 C CG . ASP A 1 49 ? -12.515 2.429 -2.219 1.00 29.43 49 A 1 ATOM 395 O OD1 . ASP A 1 49 ? -13.153 2.132 -1.185 1.00 27.59 49 A 1 ATOM 396 O OD2 . ASP A 1 49 ? -12.821 2.072 -3.373 1.00 27.47 49 A 1 ATOM 397 N N . SER A 1 50 ? -12.151 3.303 1.263 1.00 28.22 50 A 1 ATOM 398 C CA . SER A 1 50 ? -12.225 2.631 2.568 1.00 28.27 50 A 1 ATOM 399 C C . SER A 1 50 ? -12.096 1.104 2.499 1.00 28.44 50 A 1 ATOM 400 O O . SER A 1 50 ? -12.073 0.451 3.537 1.00 26.71 50 A 1 ATOM 401 C CB . SER A 1 50 ? -13.540 3.008 3.253 1.00 25.84 50 A 1 ATOM 402 O OG . SER A 1 50 ? -14.648 2.785 2.403 1.00 23.64 50 A 1 ATOM 403 N N . SER A 1 51 ? -12.020 0.527 1.304 1.00 30.87 51 A 1 ATOM 404 C CA . SER A 1 51 ? -11.748 -0.901 1.089 1.00 31.50 51 A 1 ATOM 405 C C . SER A 1 51 ? -10.279 -1.283 1.307 1.00 32.01 51 A 1 ATOM 406 O O . SER A 1 51 ? -9.968 -2.447 1.545 1.00 30.69 51 A 1 ATOM 407 C CB . SER A 1 51 ? -12.181 -1.290 -0.323 1.00 29.07 51 A 1 ATOM 408 O OG . SER A 1 51 ? -11.504 -0.503 -1.278 1.00 26.59 51 A 1 ATOM 409 N N . THR A 1 52 ? -9.378 -0.315 1.289 1.00 31.41 52 A 1 ATOM 410 C CA . THR A 1 52 ? -8.053 -0.437 1.887 1.00 32.10 52 A 1 ATOM 411 C C . THR A 1 52 ? -8.145 0.135 3.293 1.00 32.27 52 A 1 ATOM 412 O O . THR A 1 52 ? -8.406 1.324 3.444 1.00 31.29 52 A 1 ATOM 413 C CB . THR A 1 52 ? -6.962 0.274 1.063 1.00 30.58 52 A 1 ATOM 414 O OG1 . THR A 1 52 ? -7.472 1.251 0.187 1.00 28.69 52 A 1 ATOM 415 C CG2 . THR A 1 52 ? -6.188 -0.718 0.201 1.00 27.85 52 A 1 ATOM 416 N N . SER A 1 53 ? -7.925 -0.671 4.317 1.00 28.29 53 A 1 ATOM 417 C CA . SER A 1 53 ? -7.771 -0.216 5.701 1.00 28.79 53 A 1 ATOM 418 C C . SER A 1 53 ? -6.504 0.642 5.818 1.00 29.29 53 A 1 ATOM 419 O O . SER A 1 53 ? -5.453 0.213 6.283 1.00 28.29 53 A 1 ATOM 420 C CB . SER A 1 53 ? -7.767 -1.414 6.660 1.00 27.11 53 A 1 ATOM 421 O OG . SER A 1 53 ? -6.912 -2.426 6.182 1.00 25.10 53 A 1 ATOM 422 N N . VAL A 1 54 ? -6.588 1.854 5.313 1.00 30.27 54 A 1 ATOM 423 C CA . VAL A 1 54 ? -5.604 2.898 5.548 1.00 30.70 54 A 1 ATOM 424 C C . VAL A 1 54 ? -5.974 3.514 6.884 1.00 30.63 54 A 1 ATOM 425 O O . VAL A 1 54 ? -6.764 4.453 6.952 1.00 29.99 54 A 1 ATOM 426 C CB . VAL A 1 54 ? -5.551 3.930 4.405 1.00 29.93 54 A 1 ATOM 427 C CG1 . VAL A 1 54 ? -4.455 4.974 4.671 1.00 28.02 54 A 1 ATOM 428 C CG2 . VAL A 1 54 ? -5.227 3.271 3.063 1.00 27.75 54 A 1 ATOM 429 N N . ASP A 1 55 ? -5.396 2.984 7.951 1.00 28.53 55 A 1 ATOM 430 C CA . ASP A 1 55 ? -5.364 3.701 9.215 1.00 29.14 55 A 1 ATOM 431 C C . ASP A 1 55 ? -4.506 4.947 9.016 1.00 29.21 55 A 1 ATOM 432 O O . ASP A 1 55 ? -3.279 4.945 9.134 1.00 28.29 55 A 1 ATOM 433 C CB . ASP A 1 55 ? -4.861 2.809 10.362 1.00 27.92 55 A 1 ATOM 434 C CG . ASP A 1 55 ? -5.973 1.988 11.021 1.00 25.99 55 A 1 ATOM 435 O OD1 . ASP A 1 55 ? -7.128 2.472 11.029 1.00 24.31 55 A 1 ATOM 436 O OD2 . ASP A 1 55 ? -5.632 0.930 11.580 1.00 23.84 55 A 1 ATOM 437 N N . VAL A 1 56 ? -5.169 6.046 8.670 1.00 29.46 56 A 1 ATOM 438 C CA . VAL A 1 56 ? -4.554 7.366 8.727 1.00 29.77 56 A 1 ATOM 439 C C . VAL A 1 56 ? -4.370 7.677 10.203 1.00 29.51 56 A 1 ATOM 440 O O . VAL A 1 56 ? -5.263 8.201 10.867 1.00 28.56 56 A 1 ATOM 441 C CB . VAL A 1 56 ? -5.382 8.441 7.996 1.00 28.69 56 A 1 ATOM 442 C CG1 . VAL A 1 56 ? -4.648 9.793 8.018 1.00 26.82 56 A 1 ATOM 443 C CG2 . VAL A 1 56 ? -5.623 8.073 6.528 1.00 26.91 56 A 1 ATOM 444 N N . PHE A 1 57 ? -3.194 7.339 10.730 1.00 27.48 57 A 1 ATOM 445 C CA . PHE A 1 57 ? -2.803 7.772 12.061 1.00 27.64 57 A 1 ATOM 446 C C . PHE A 1 57 ? -2.715 9.298 12.063 1.00 27.82 57 A 1 ATOM 447 O O . PHE A 1 57 ? -1.700 9.894 11.705 1.00 26.53 57 A 1 ATOM 448 C CB . PHE A 1 57 ? -1.487 7.108 12.497 1.00 25.73 57 A 1 ATOM 449 C CG . PHE A 1 57 ? -1.671 5.716 13.065 1.00 23.76 57 A 1 ATOM 450 C CD1 . PHE A 1 57 ? -1.951 5.539 14.436 1.00 21.99 57 A 1 ATOM 451 C CD2 . PHE A 1 57 ? -1.571 4.590 12.227 1.00 21.60 57 A 1 ATOM 452 C CE1 . PHE A 1 57 ? -2.126 4.248 14.963 1.00 20.41 57 A 1 ATOM 453 C CE2 . PHE A 1 57 ? -1.753 3.299 12.753 1.00 20.69 57 A 1 ATOM 454 C CZ . PHE A 1 57 ? -2.029 3.125 14.122 1.00 20.50 57 A 1 ATOM 455 N N . TYR A 1 58 ? -3.786 9.946 12.513 1.00 30.24 58 A 1 ATOM 456 C CA . TYR A 1 58 ? -3.741 11.338 12.925 1.00 30.93 58 A 1 ATOM 457 C C . TYR A 1 58 ? -2.918 11.422 14.209 1.00 31.45 58 A 1 ATOM 458 O O . TYR A 1 58 ? -3.456 11.517 15.312 1.00 30.20 58 A 1 ATOM 459 C CB . TYR A 1 58 ? -5.155 11.908 13.107 1.00 29.17 58 A 1 ATOM 460 C CG . TYR A 1 58 ? -5.874 12.218 11.811 1.00 27.02 58 A 1 ATOM 461 C CD1 . TYR A 1 58 ? -5.685 13.462 11.176 1.00 24.43 58 A 1 ATOM 462 C CD2 . TYR A 1 58 ? -6.740 11.264 11.242 1.00 24.80 58 A 1 ATOM 463 C CE1 . TYR A 1 58 ? -6.365 13.753 9.979 1.00 22.60 58 A 1 ATOM 464 C CE2 . TYR A 1 58 ? -7.413 11.551 10.044 1.00 22.66 58 A 1 ATOM 465 C CZ . TYR A 1 58 ? -7.230 12.796 9.410 1.00 22.32 58 A 1 ATOM 466 O OH . TYR A 1 58 ? -7.885 13.070 8.253 1.00 20.97 58 A 1 ATOM 467 N N . LYS A 1 59 ? -1.588 11.404 14.087 1.00 31.03 59 A 1 ATOM 468 C CA . LYS A 1 59 ? -0.739 11.777 15.211 1.00 32.27 59 A 1 ATOM 469 C C . LYS A 1 59 ? -0.885 13.277 15.409 1.00 32.36 59 A 1 ATOM 470 O O . LYS A 1 59 ? -0.304 14.080 14.683 1.00 31.15 59 A 1 ATOM 471 C CB . LYS A 1 59 ? 0.706 11.297 15.033 1.00 31.32 59 A 1 ATOM 472 C CG . LYS A 1 59 ? 1.465 11.481 16.360 1.00 29.05 59 A 1 ATOM 473 C CD . LYS A 1 59 ? 2.865 10.855 16.337 1.00 27.74 59 A 1 ATOM 474 C CE . LYS A 1 59 ? 3.506 11.088 17.709 1.00 26.08 59 A 1 ATOM 475 N NZ . LYS A 1 59 ? 4.903 10.594 17.784 1.00 24.27 59 A 1 ATOM 476 N N . LYS A 1 60 ? -1.705 13.630 16.383 1.00 35.96 60 A 1 ATOM 477 C CA . LYS A 1 60 ? -1.828 15.006 16.844 1.00 36.58 60 A 1 ATOM 478 C C . LYS A 1 60 ? -0.570 15.311 17.654 1.00 36.92 60 A 1 ATOM 479 O O . LYS A 1 60 ? -0.458 14.868 18.792 1.00 35.11 60 A 1 ATOM 480 C CB . LYS A 1 60 ? -3.143 15.164 17.624 1.00 34.13 60 A 1 ATOM 481 C CG . LYS A 1 60 ? -3.740 16.566 17.445 1.00 30.58 60 A 1 ATOM 482 C CD . LYS A 1 60 ? -5.054 16.691 18.220 1.00 28.82 60 A 1 ATOM 483 C CE . LYS A 1 60 ? -5.723 18.026 17.900 1.00 26.52 60 A 1 ATOM 484 N NZ . LYS A 1 60 ? -6.949 18.233 18.703 1.00 24.46 60 A 1 ATOM 485 N N . PHE A 1 61 ? 0.389 16.001 17.051 1.00 38.13 61 A 1 ATOM 486 C CA . PHE A 1 61 ? 1.577 16.467 17.763 1.00 39.38 61 A 1 ATOM 487 C C . PHE A 1 61 ? 1.146 17.475 18.829 1.00 39.43 61 A 1 ATOM 488 O O . PHE A 1 61 ? 0.305 18.343 18.575 1.00 38.81 61 A 1 ATOM 489 C CB . PHE A 1 61 ? 2.589 17.057 16.777 1.00 38.35 61 A 1 ATOM 490 C CG . PHE A 1 61 ? 3.129 16.045 15.781 1.00 36.46 61 A 1 ATOM 491 C CD1 . PHE A 1 61 ? 4.155 15.164 16.167 1.00 34.18 61 A 1 ATOM 492 C CD2 . PHE A 1 61 ? 2.596 15.963 14.481 1.00 34.84 61 A 1 ATOM 493 C CE1 . PHE A 1 61 ? 4.652 14.214 15.259 1.00 32.41 61 A 1 ATOM 494 C CE2 . PHE A 1 61 ? 3.092 15.010 13.572 1.00 32.37 61 A 1 ATOM 495 C CZ . PHE A 1 61 ? 4.123 14.137 13.960 1.00 32.01 61 A 1 ATOM 496 N N . SER A 1 62 ? 1.701 17.334 20.025 1.00 43.21 62 A 1 ATOM 497 C CA . SER A 1 62 ? 1.526 18.331 21.075 1.00 45.33 62 A 1 ATOM 498 C C . SER A 1 62 ? 2.271 19.620 20.707 1.00 46.04 62 A 1 ATOM 499 O O . SER A 1 62 ? 3.276 19.587 19.996 1.00 44.97 62 A 1 ATOM 500 C CB . SER A 1 62 ? 1.997 17.773 22.423 1.00 44.00 62 A 1 ATOM 501 O OG . SER A 1 62 ? 3.373 17.451 22.373 1.00 40.23 62 A 1 ATOM 502 N N . ASP A 1 63 ? 1.834 20.749 21.247 1.00 43.17 63 A 1 ATOM 503 C CA . ASP A 1 63 ? 2.491 22.043 21.010 1.00 44.38 63 A 1 ATOM 504 C C . ASP A 1 63 ? 3.983 22.020 21.397 1.00 45.49 63 A 1 ATOM 505 O O . ASP A 1 63 ? 4.810 22.676 20.770 1.00 44.19 63 A 1 ATOM 506 C CB . ASP A 1 63 ? 1.759 23.140 21.807 1.00 41.98 63 A 1 ATOM 507 C CG . ASP A 1 63 ? 0.297 23.345 21.393 1.00 37.66 63 A 1 ATOM 508 O OD1 . ASP A 1 63 ? -0.049 23.016 20.239 1.00 34.81 63 A 1 ATOM 509 O OD2 . ASP A 1 63 ? -0.484 23.791 22.264 1.00 34.06 63 A 1 ATOM 510 N N . SER A 1 64 ? 4.357 21.208 22.390 1.00 48.73 64 A 1 ATOM 511 C CA . SER A 1 64 ? 5.750 21.004 22.799 1.00 50.70 64 A 1 ATOM 512 C C . SER A 1 64 ? 6.566 20.176 21.798 1.00 50.77 64 A 1 ATOM 513 O O . SER A 1 64 ? 7.743 20.477 21.583 1.00 49.63 64 A 1 ATOM 514 C CB . SER A 1 64 ? 5.806 20.351 24.185 1.00 50.14 64 A 1 ATOM 515 O OG . SER A 1 64 ? 5.013 19.177 24.257 1.00 46.56 64 A 1 ATOM 516 N N . GLU A 1 65 ? 5.977 19.162 21.177 1.00 43.34 65 A 1 ATOM 517 C CA . GLU A 1 65 ? 6.626 18.384 20.113 1.00 45.28 65 A 1 ATOM 518 C C . GLU A 1 65 ? 6.832 19.250 18.865 1.00 45.29 65 A 1 ATOM 519 O O . GLU A 1 65 ? 7.949 19.307 18.350 1.00 45.43 65 A 1 ATOM 520 C CB . GLU A 1 65 ? 5.806 17.128 19.772 1.00 45.11 65 A 1 ATOM 521 C CG . GLU A 1 65 ? 5.928 16.025 20.836 1.00 40.67 65 A 1 ATOM 522 C CD . GLU A 1 65 ? 4.864 14.938 20.630 1.00 38.34 65 A 1 ATOM 523 O OE1 . GLU A 1 65 ? 5.224 13.749 20.469 1.00 37.97 65 A 1 ATOM 524 O OE2 . GLU A 1 65 ? 3.665 15.312 20.634 1.00 38.23 65 A 1 ATOM 525 N N . LEU A 1 66 ? 5.817 20.001 18.466 1.00 38.81 66 A 1 ATOM 526 C CA . LEU A 1 66 ? 5.915 20.971 17.375 1.00 39.33 66 A 1 ATOM 527 C C . LEU A 1 66 ? 6.983 22.034 17.662 1.00 39.46 66 A 1 ATOM 528 O O . LEU A 1 66 ? 7.859 22.259 16.832 1.00 39.03 66 A 1 ATOM 529 C CB . LEU A 1 66 ? 4.535 21.617 17.148 1.00 38.28 66 A 1 ATOM 530 C CG . LEU A 1 66 ? 3.540 20.698 16.417 1.00 35.38 66 A 1 ATOM 531 C CD1 . LEU A 1 66 ? 2.121 21.252 16.542 1.00 32.59 66 A 1 ATOM 532 C CD2 . LEU A 1 66 ? 3.874 20.575 14.931 1.00 33.46 66 A 1 ATOM 533 N N . ALA A 1 67 ? 6.996 22.606 18.867 1.00 44.04 67 A 1 ATOM 534 C CA . ALA A 1 67 ? 8.009 23.583 19.270 1.00 44.68 67 A 1 ATOM 535 C C . ALA A 1 67 ? 9.436 23.009 19.219 1.00 44.93 67 A 1 ATOM 536 O O . ALA A 1 67 ? 10.368 23.705 18.817 1.00 43.90 67 A 1 ATOM 537 C CB . ALA A 1 67 ? 7.667 24.095 20.674 1.00 43.50 67 A 1 ATOM 538 N N . SER A 1 68 ? 9.622 21.737 19.585 1.00 44.88 68 A 1 ATOM 539 C CA . SER A 1 68 ? 10.928 21.070 19.507 1.00 46.33 68 A 1 ATOM 540 C C . SER A 1 68 ? 11.388 20.795 18.069 1.00 45.83 68 A 1 ATOM 541 O O . SER A 1 68 ? 12.583 20.869 17.782 1.00 45.10 68 A 1 ATOM 542 C CB . SER A 1 68 ? 10.915 19.786 20.341 1.00 45.35 68 A 1 ATOM 543 O OG . SER A 1 68 ? 10.268 18.706 19.694 1.00 41.64 68 A 1 ATOM 544 N N . MET A 1 69 ? 10.456 20.525 17.170 1.00 38.97 69 A 1 ATOM 545 C CA . MET A 1 69 ? 10.716 20.357 15.737 1.00 39.24 69 A 1 ATOM 546 C C . MET A 1 69 ? 11.024 21.702 15.063 1.00 38.83 69 A 1 ATOM 547 O O . MET A 1 69 ? 11.896 21.767 14.204 1.00 38.24 69 A 1 ATOM 548 C CB . MET A 1 69 ? 9.516 19.671 15.074 1.00 37.86 69 A 1 ATOM 549 C CG . MET A 1 69 ? 9.360 18.206 15.507 1.00 34.51 69 A 1 ATOM 550 S SD . MET A 1 69 ? 7.868 17.367 14.896 1.00 32.72 69 A 1 ATOM 551 C CE . MET A 1 69 ? 8.211 17.310 13.112 1.00 31.40 69 A 1 ATOM 552 N N . MET A 1 70 ? 10.380 22.779 15.521 1.00 35.93 70 A 1 ATOM 553 C CA . MET A 1 70 ? 10.557 24.145 15.012 1.00 35.63 70 A 1 ATOM 554 C C . MET A 1 70 ? 11.840 24.837 15.516 1.00 35.85 70 A 1 ATOM 555 O O . MET A 1 70 ? 12.271 25.824 14.929 1.00 34.68 70 A 1 ATOM 556 C CB . MET A 1 70 ? 9.320 24.976 15.380 1.00 33.80 70 A 1 ATOM 557 C CG . MET A 1 70 ? 8.050 24.512 14.653 1.00 30.12 70 A 1 ATOM 558 S SD . MET A 1 70 ? 6.533 25.346 15.207 1.00 28.00 70 A 1 ATOM 559 C CE . MET A 1 70 ? 6.689 26.897 14.280 1.00 26.61 70 A 1 ATOM 560 N N . GLN A 1 71 ? 12.481 24.332 16.581 1.00 33.88 71 A 1 ATOM 561 C CA . GLN A 1 71 ? 13.688 24.950 17.164 1.00 33.94 71 A 1 ATOM 562 C C . GLN A 1 71 ? 14.980 24.769 16.348 1.00 34.35 71 A 1 ATOM 563 O O . GLN A 1 71 ? 15.997 25.380 16.686 1.00 32.99 71 A 1 ATOM 564 C CB . GLN A 1 71 ? 13.885 24.466 18.608 1.00 32.03 71 A 1 ATOM 565 C CG . GLN A 1 71 ? 13.249 25.440 19.604 1.00 29.26 71 A 1 ATOM 566 C CD . GLN A 1 71 ? 13.425 25.024 21.061 1.00 27.97 71 A 1 ATOM 567 O OE1 . GLN A 1 71 ? 14.054 24.040 21.414 1.00 27.57 71 A 1 ATOM 568 N NE2 . GLN A 1 71 ? 12.879 25.783 21.980 1.00 27.72 71 A 1 ATOM 569 N N . ARG A 1 72 ? 14.984 23.960 15.307 1.00 33.66 72 A 1 ATOM 570 C CA . ARG A 1 72 ? 16.111 23.852 14.371 1.00 34.74 72 A 1 ATOM 571 C C . ARG A 1 72 ? 15.742 24.530 13.054 1.00 34.57 72 A 1 ATOM 572 O O . ARG A 1 72 ? 15.195 23.876 12.189 1.00 32.90 72 A 1 ATOM 573 C CB . ARG A 1 72 ? 16.539 22.389 14.189 1.00 32.92 72 A 1 ATOM 574 C CG . ARG A 1 72 ? 17.324 21.882 15.401 1.00 30.23 72 A 1 ATOM 575 C CD . ARG A 1 72 ? 17.850 20.472 15.121 1.00 28.40 72 A 1 ATOM 576 N NE . ARG A 1 72 ? 18.688 19.981 16.226 1.00 26.43 72 A 1 ATOM 577 C CZ . ARG A 1 72 ? 19.229 18.779 16.311 1.00 24.73 72 A 1 ATOM 578 N NH1 . ARG A 1 72 ? 19.044 17.881 15.385 1.00 23.80 72 A 1 ATOM 579 N NH2 . ARG A 1 72 ? 19.966 18.457 17.338 1.00 23.04 72 A 1 ATOM 580 N N . GLU A 1 73 ? 16.058 25.823 12.989 1.00 32.11 73 A 1 ATOM 581 C CA . GLU A 1 73 ? 16.014 26.643 11.770 1.00 32.16 73 A 1 ATOM 582 C C . GLU A 1 73 ? 14.799 26.379 10.867 1.00 32.37 73 A 1 ATOM 583 O O . GLU A 1 73 ? 14.921 25.985 9.709 1.00 30.95 73 A 1 ATOM 584 C CB . GLU A 1 73 ? 17.353 26.572 11.011 1.00 29.97 73 A 1 ATOM 585 C CG . GLU A 1 73 ? 18.494 27.235 11.792 1.00 27.15 73 A 1 ATOM 586 C CD . GLU A 1 73 ? 19.839 27.234 11.045 1.00 25.68 73 A 1 ATOM 587 O OE1 . GLU A 1 73 ? 20.740 27.971 11.511 1.00 23.37 73 A 1 ATOM 588 O OE2 . GLU A 1 73 ? 20.004 26.457 10.079 1.00 24.99 73 A 1 ATOM 589 N N . TYR A 1 74 ? 13.611 26.594 11.413 1.00 32.58 74 A 1 ATOM 590 C CA . TYR A 1 74 ? 12.415 26.723 10.597 1.00 32.90 74 A 1 ATOM 591 C C . TYR A 1 74 ? 12.418 28.137 10.012 1.00 33.48 74 A 1 ATOM 592 O O . TYR A 1 74 ? 12.125 29.112 10.704 1.00 32.69 74 A 1 ATOM 593 C CB . TYR A 1 74 ? 11.169 26.405 11.429 1.00 31.15 74 A 1 ATOM 594 C CG . TYR A 1 74 ? 9.917 26.248 10.589 1.00 28.74 74 A 1 ATOM 595 C CD1 . TYR A 1 74 ? 8.994 27.305 10.481 1.00 26.93 74 A 1 ATOM 596 C CD2 . TYR A 1 74 ? 9.684 25.041 9.904 1.00 27.40 74 A 1 ATOM 597 C CE1 . TYR A 1 74 ? 7.837 27.151 9.694 1.00 25.73 74 A 1 ATOM 598 C CE2 . TYR A 1 74 ? 8.532 24.885 9.114 1.00 26.33 74 A 1 ATOM 599 C CZ . TYR A 1 74 ? 7.604 25.938 9.008 1.00 26.37 74 A 1 ATOM 600 O OH . TYR A 1 74 ? 6.487 25.783 8.248 1.00 24.66 74 A 1 ATOM 601 N N . ASP A 1 75 ? 12.836 28.238 8.762 1.00 34.58 75 A 1 ATOM 602 C CA . ASP A 1 75 ? 12.626 29.431 7.954 1.00 35.27 75 A 1 ATOM 603 C C . ASP A 1 75 ? 11.179 29.374 7.452 1.00 35.45 75 A 1 ATOM 604 O O . ASP A 1 75 ? 10.813 28.437 6.740 1.00 34.92 75 A 1 ATOM 605 C CB . ASP A 1 75 ? 13.668 29.459 6.820 1.00 33.98 75 A 1 ATOM 606 C CG . ASP A 1 75 ? 13.662 30.741 5.978 1.00 31.33 75 A 1 ATOM 607 O OD1 . ASP A 1 75 ? 12.700 31.529 6.076 1.00 29.59 75 A 1 ATOM 608 O OD2 . ASP A 1 75 ? 14.637 30.927 5.210 1.00 29.89 75 A 1 ATOM 609 N N . ASP A 1 76 ? 10.359 30.355 7.838 1.00 35.05 76 A 1 ATOM 610 C CA . ASP A 1 76 ? 8.929 30.454 7.498 1.00 36.18 76 A 1 ATOM 611 C C . ASP A 1 76 ? 8.664 30.436 5.978 1.00 36.44 76 A 1 ATOM 612 O O . ASP A 1 76 ? 7.521 30.310 5.533 1.00 35.09 76 A 1 ATOM 613 C CB . ASP A 1 76 ? 8.352 31.743 8.116 1.00 34.41 76 A 1 ATOM 614 C CG . ASP A 1 76 ? 8.297 31.770 9.652 1.00 32.04 76 A 1 ATOM 615 O OD1 . ASP A 1 76 ? 8.238 30.689 10.273 1.00 29.80 76 A 1 ATOM 616 O OD2 . ASP A 1 76 ? 8.287 32.898 10.201 1.00 30.10 76 A 1 ATOM 617 N N . CYS A 1 77 ? 9.720 30.540 5.176 1.00 32.57 77 A 1 ATOM 618 C CA . CYS A 1 77 ? 9.670 30.432 3.722 1.00 33.26 77 A 1 ATOM 619 C C . CYS A 1 77 ? 9.670 28.983 3.200 1.00 33.73 77 A 1 ATOM 620 O O . CYS A 1 77 ? 9.413 28.779 2.011 1.00 31.95 77 A 1 ATOM 621 C CB . CYS A 1 77 ? 10.851 31.212 3.142 1.00 30.84 77 A 1 ATOM 622 S SG . CYS A 1 77 ? 10.722 32.978 3.546 1.00 27.78 77 A 1 ATOM 623 N N . PHE A 1 78 ? 9.971 27.989 4.042 1.00 31.65 78 A 1 ATOM 624 C CA . PHE A 1 78 ? 10.039 26.587 3.623 1.00 32.48 78 A 1 ATOM 625 C C . PHE A 1 78 ? 8.903 25.746 4.219 1.00 32.84 78 A 1 ATOM 626 O O . PHE A 1 78 ? 8.596 25.851 5.405 1.00 32.06 78 A 1 ATOM 627 C CB . PHE A 1 78 ? 11.421 25.997 3.930 1.00 31.13 78 A 1 ATOM 628 C CG . PHE A 1 78 ? 12.515 26.571 3.050 1.00 29.13 78 A 1 ATOM 629 C CD1 . PHE A 1 78 ? 12.682 26.114 1.729 1.00 27.02 78 A 1 ATOM 630 C CD2 . PHE A 1 78 ? 13.347 27.592 3.541 1.00 27.15 78 A 1 ATOM 631 C CE1 . PHE A 1 78 ? 13.671 26.681 0.907 1.00 25.59 78 A 1 ATOM 632 C CE2 . PHE A 1 78 ? 14.335 28.159 2.717 1.00 25.86 78 A 1 ATOM 633 C CZ . PHE A 1 78 ? 14.496 27.707 1.399 1.00 25.82 78 A 1 ATOM 634 N N . PRO A 1 79 ? 8.267 24.887 3.420 1.00 32.45 79 A 1 ATOM 635 C CA . PRO A 1 79 ? 7.182 24.045 3.904 1.00 32.98 79 A 1 ATOM 636 C C . PRO A 1 79 ? 7.680 23.026 4.937 1.00 34.00 79 A 1 ATOM 637 O O . PRO A 1 79 ? 8.710 22.382 4.746 1.00 33.86 79 A 1 ATOM 638 C CB . PRO A 1 79 ? 6.601 23.374 2.659 1.00 31.32 79 A 1 ATOM 639 C CG . PRO A 1 79 ? 7.757 23.374 1.662 1.00 30.63 79 A 1 ATOM 640 C CD . PRO A 1 79 ? 8.511 24.653 2.006 1.00 32.38 79 A 1 ATOM 641 N N . LEU A 1 80 ? 6.912 22.835 6.005 1.00 31.97 80 A 1 ATOM 642 C CA . LEU A 1 80 ? 7.141 21.748 6.955 1.00 32.56 80 A 1 ATOM 643 C C . LEU A 1 80 ? 6.900 20.412 6.238 1.00 33.07 80 A 1 ATOM 644 O O . LEU A 1 80 ? 5.759 20.085 5.901 1.00 32.55 80 A 1 ATOM 645 C CB . LEU A 1 80 ? 6.214 21.919 8.175 1.00 31.55 80 A 1 ATOM 646 C CG . LEU A 1 80 ? 6.449 20.875 9.284 1.00 29.28 80 A 1 ATOM 647 C CD1 . LEU A 1 80 ? 7.727 21.156 10.070 1.00 27.16 80 A 1 ATOM 648 C CD2 . LEU A 1 80 ? 5.279 20.874 10.272 1.00 27.84 80 A 1 ATOM 649 N N . GLN A 1 81 ? 7.968 19.658 6.011 1.00 31.03 81 A 1 ATOM 650 C CA . GLN A 1 81 ? 7.877 18.323 5.429 1.00 31.60 81 A 1 ATOM 651 C C . GLN A 1 81 ? 7.631 17.290 6.529 1.00 31.64 81 A 1 ATOM 652 O O . GLN A 1 81 ? 8.465 17.085 7.409 1.00 30.97 81 A 1 ATOM 653 C CB . GLN A 1 81 ? 9.134 17.990 4.616 1.00 31.17 81 A 1 ATOM 654 C CG . GLN A 1 81 ? 9.163 18.750 3.280 1.00 28.91 81 A 1 ATOM 655 C CD . GLN A 1 81 ? 10.327 18.331 2.392 1.00 27.61 81 A 1 ATOM 656 O OE1 . GLN A 1 81 ? 11.372 17.885 2.831 1.00 27.10 81 A 1 ATOM 657 N NE2 . GLN A 1 81 ? 10.200 18.463 1.089 1.00 26.12 81 A 1 ATOM 658 N N . VAL A 1 82 ? 6.482 16.638 6.471 1.00 30.59 82 A 1 ATOM 659 C CA . VAL A 1 82 ? 6.156 15.503 7.338 1.00 31.04 82 A 1 ATOM 660 C C . VAL A 1 82 ? 6.149 14.247 6.479 1.00 31.11 82 A 1 ATOM 661 O O . VAL A 1 82 ? 5.242 14.045 5.673 1.00 30.28 82 A 1 ATOM 662 C CB . VAL A 1 82 ? 4.819 15.707 8.075 1.00 29.95 82 A 1 ATOM 663 C CG1 . VAL A 1 82 ? 4.524 14.527 9.013 1.00 27.70 82 A 1 ATOM 664 C CG2 . VAL A 1 82 ? 4.839 16.988 8.927 1.00 27.72 82 A 1 ATOM 665 N N . THR A 1 83 ? 7.159 13.405 6.670 1.00 30.34 83 A 1 ATOM 666 C CA . THR A 1 83 ? 7.218 12.093 6.017 1.00 30.55 83 A 1 ATOM 667 C C . THR A 1 83 ? 6.421 11.091 6.844 1.00 30.64 83 A 1 ATOM 668 O O . THR A 1 83 ? 6.775 10.786 7.982 1.00 30.11 83 A 1 ATOM 669 C CB . THR A 1 83 ? 8.665 11.618 5.818 1.00 29.49 83 A 1 ATOM 670 O OG1 . THR A 1 83 ? 9.444 12.643 5.250 1.00 27.16 83 A 1 ATOM 671 C CG2 . THR A 1 83 ? 8.745 10.406 4.890 1.00 26.97 83 A 1 ATOM 672 N N . ALA A 1 84 ? 5.338 10.575 6.276 1.00 31.04 84 A 1 ATOM 673 C CA . ALA A 1 84 ? 4.576 9.472 6.846 1.00 31.68 84 A 1 ATOM 674 C C . ALA A 1 84 ? 4.835 8.206 6.021 1.00 31.84 84 A 1 ATOM 675 O O . ALA A 1 84 ? 4.536 8.151 4.829 1.00 30.81 84 A 1 ATOM 676 C CB . ALA A 1 84 ? 3.096 9.859 6.916 1.00 30.32 84 A 1 ATOM 677 N N . THR A 1 85 ? 5.391 7.192 6.658 1.00 28.39 85 A 1 ATOM 678 C CA . THR A 1 85 ? 5.519 5.863 6.052 1.00 28.68 85 A 1 ATOM 679 C C . THR A 1 85 ? 4.238 5.092 6.338 1.00 29.09 85 A 1 ATOM 680 O O . THR A 1 85 ? 3.924 4.822 7.494 1.00 28.16 85 A 1 ATOM 681 C CB . THR A 1 85 ? 6.744 5.103 6.585 1.00 27.09 85 A 1 ATOM 682 O OG1 . THR A 1 85 ? 7.885 5.930 6.559 1.00 24.78 85 A 1 ATOM 683 C CG2 . THR A 1 85 ? 7.069 3.875 5.734 1.00 24.61 85 A 1 ATOM 684 N N . LEU A 1 86 ? 3.487 4.754 5.292 1.00 28.25 86 A 1 ATOM 685 C CA . LEU A 1 86 ? 2.383 3.808 5.411 1.00 28.49 86 A 1 ATOM 686 C C . LEU A 1 86 ? 2.976 2.405 5.588 1.00 28.77 86 A 1 ATOM 687 O O . LEU A 1 86 ? 3.383 1.755 4.623 1.00 28.43 86 A 1 ATOM 688 C CB . LEU A 1 86 ? 1.457 3.915 4.182 1.00 27.68 86 A 1 ATOM 689 C CG . LEU A 1 86 ? 0.505 5.126 4.235 1.00 25.88 86 A 1 ATOM 690 C CD1 . LEU A 1 86 ? -0.002 5.466 2.836 1.00 23.76 86 A 1 ATOM 691 C CD2 . LEU A 1 86 ? -0.715 4.846 5.114 1.00 24.68 86 A 1 ATOM 692 N N . GLU A 1 87 ? 3.043 1.948 6.826 1.00 27.17 87 A 1 ATOM 693 C CA . GLU A 1 87 ? 3.160 0.520 7.096 1.00 27.01 87 A 1 ATOM 694 C C . GLU A 1 87 ? 1.768 -0.093 6.936 1.00 27.28 87 A 1 ATOM 695 O O . GLU A 1 87 ? 0.818 0.315 7.601 1.00 27.00 87 A 1 ATOM 696 C CB . GLU A 1 87 ? 3.766 0.238 8.479 1.00 25.92 87 A 1 ATOM 697 C CG . GLU A 1 87 ? 5.275 0.549 8.488 1.00 23.71 87 A 1 ATOM 698 C CD . GLU A 1 87 ? 6.010 0.031 9.736 1.00 22.37 87 A 1 ATOM 699 O OE1 . GLU A 1 87 ? 7.238 -0.197 9.610 1.00 20.64 87 A 1 ATOM 700 O OE2 . GLU A 1 87 ? 5.366 -0.143 10.793 1.00 21.52 87 A 1 ATOM 701 N N . SER A 1 88 ? 1.631 -1.058 6.044 1.00 28.75 88 A 1 ATOM 702 C CA . SER A 1 88 ? 0.482 -1.956 6.109 1.00 29.12 88 A 1 ATOM 703 C C . SER A 1 88 ? 0.582 -2.697 7.435 1.00 28.93 88 A 1 ATOM 704 O O . SER A 1 88 ? 1.452 -3.562 7.580 1.00 28.09 88 A 1 ATOM 705 C CB . SER A 1 88 ? 0.481 -2.934 4.925 1.00 27.97 88 A 1 ATOM 706 O OG . SER A 1 88 ? 1.658 -3.722 4.918 1.00 26.24 88 A 1 ATOM 707 N N . VAL A 1 89 ? -0.255 -2.347 8.397 1.00 25.34 89 A 1 ATOM 708 C CA . VAL A 1 89 ? -0.445 -3.160 9.596 1.00 25.17 89 A 1 ATOM 709 C C . VAL A 1 89 ? -1.138 -4.429 9.122 1.00 25.88 89 A 1 ATOM 710 O O . VAL A 1 89 ? -2.315 -4.413 8.795 1.00 25.10 89 A 1 ATOM 711 C CB . VAL A 1 89 ? -1.246 -2.415 10.680 1.00 23.54 89 A 1 ATOM 712 C CG1 . VAL A 1 89 ? -1.371 -3.275 11.947 1.00 21.28 89 A 1 ATOM 713 C CG2 . VAL A 1 89 ? -0.548 -1.103 11.074 1.00 21.44 89 A 1 ATOM 714 N N . ILE A 1 90 ? -0.367 -5.496 8.977 1.00 26.70 90 A 1 ATOM 715 C CA . ILE A 1 90 ? -0.926 -6.836 8.838 1.00 26.94 90 A 1 ATOM 716 C C . ILE A 1 90 ? -1.249 -7.250 10.267 1.00 27.06 90 A 1 ATOM 717 O O . ILE A 1 90 ? -0.326 -7.409 11.070 1.00 26.42 90 A 1 ATOM 718 C CB . ILE A 1 90 ? 0.063 -7.790 8.126 1.00 25.98 90 A 1 ATOM 719 C CG1 . ILE A 1 90 ? 0.426 -7.256 6.717 1.00 24.15 90 A 1 ATOM 720 C CG2 . ILE A 1 90 ? -0.545 -9.198 8.027 1.00 24.29 90 A 1 ATOM 721 C CD1 . ILE A 1 90 ? 1.483 -8.092 5.977 1.00 23.09 90 A 1 ATOM 722 N N . GLU A 1 91 ? -2.536 -7.341 10.608 1.00 26.21 91 A 1 ATOM 723 C CA . GLU A 1 91 ? -2.927 -7.843 11.919 1.00 26.27 91 A 1 ATOM 724 C C . GLU A 1 91 ? -2.500 -9.309 12.061 1.00 26.29 91 A 1 ATOM 725 O O . GLU A 1 91 ? -2.350 -10.053 11.084 1.00 25.86 91 A 1 ATOM 726 C CB . GLU A 1 91 ? -4.427 -7.640 12.200 1.00 25.45 91 A 1 ATOM 727 C CG . GLU A 1 91 ? -4.815 -6.157 12.343 1.00 23.18 91 A 1 ATOM 728 C CD . GLU A 1 91 ? -6.222 -5.928 12.928 1.00 21.91 91 A 1 ATOM 729 O OE1 . GLU A 1 91 ? -6.495 -4.770 13.333 1.00 20.46 91 A 1 ATOM 730 O OE2 . GLU A 1 91 ? -7.007 -6.898 13.056 1.00 22.12 91 A 1 ATOM 731 N N . ALA A 1 92 ? -2.259 -9.738 13.285 1.00 29.46 92 A 1 ATOM 732 C CA . ALA A 1 92 ? -1.894 -11.118 13.564 1.00 28.81 92 A 1 ATOM 733 C C . ALA A 1 92 ? -3.010 -12.061 13.084 1.00 29.62 92 A 1 ATOM 734 O O . ALA A 1 92 ? -4.110 -12.057 13.628 1.00 28.61 92 A 1 ATOM 735 C CB . ALA A 1 92 ? -1.615 -11.243 15.067 1.00 25.83 92 A 1 ATOM 736 N N . GLY A 1 93 ? -2.726 -12.871 12.073 1.00 32.20 93 A 1 ATOM 737 C CA . GLY A 1 93 ? -3.687 -13.756 11.413 1.00 32.76 93 A 1 ATOM 738 C C . GLY A 1 93 ? -4.130 -13.316 10.017 1.00 33.98 93 A 1 ATOM 739 O O . GLY A 1 93 ? -4.761 -14.119 9.325 1.00 32.50 93 A 1 ATOM 740 N N . ASP A 1 94 ? -3.765 -12.124 9.566 1.00 34.46 94 A 1 ATOM 741 C CA . ASP A 1 94 ? -4.069 -11.679 8.212 1.00 35.59 94 A 1 ATOM 742 C C . ASP A 1 94 ? -3.281 -12.461 7.157 1.00 36.23 94 A 1 ATOM 743 O O . ASP A 1 94 ? -2.066 -12.684 7.245 1.00 35.25 94 A 1 ATOM 744 C CB . ASP A 1 94 ? -3.843 -10.170 8.044 1.00 33.78 94 A 1 ATOM 745 C CG . ASP A 1 94 ? -4.984 -9.308 8.587 1.00 31.43 94 A 1 ATOM 746 O OD1 . ASP A 1 94 ? -6.107 -9.843 8.723 1.00 29.33 94 A 1 ATOM 747 O OD2 . ASP A 1 94 ? -4.726 -8.095 8.757 1.00 29.45 94 A 1 ATOM 748 N N . ILE A 1 95 ? -4.005 -12.873 6.115 1.00 41.07 95 A 1 ATOM 749 C CA . ILE A 1 95 ? -3.447 -13.561 4.955 1.00 42.27 95 A 1 ATOM 750 C C . ILE A 1 95 ? -3.352 -12.544 3.823 1.00 44.72 95 A 1 ATOM 751 O O . ILE A 1 95 ? -4.354 -12.170 3.215 1.00 42.62 95 A 1 ATOM 752 C CB . ILE A 1 95 ? -4.289 -14.802 4.581 1.00 39.25 95 A 1 ATOM 753 C CG1 . ILE A 1 95 ? -4.358 -15.804 5.761 1.00 35.74 95 A 1 ATOM 754 C CG2 . ILE A 1 95 ? -3.678 -15.479 3.338 1.00 34.94 95 A 1 ATOM 755 C CD1 . ILE A 1 95 ? -5.202 -17.055 5.486 1.00 32.81 95 A 1 ATOM 756 N N . ASN A 1 96 ? -2.135 -12.128 3.498 1.00 50.20 96 A 1 ATOM 757 C CA . ASN A 1 96 ? -1.900 -11.247 2.363 1.00 52.95 96 A 1 ATOM 758 C C . ASN A 1 96 ? -1.589 -12.088 1.120 1.00 55.70 96 A 1 ATOM 759 O O . ASN A 1 96 ? -0.515 -12.689 1.022 1.00 54.13 96 A 1 ATOM 760 C CB . ASN A 1 96 ? -0.796 -10.242 2.730 1.00 50.02 96 A 1 ATOM 761 C CG . ASN A 1 96 ? -0.637 -9.141 1.694 1.00 44.61 96 A 1 ATOM 762 O OD1 . ASN A 1 96 ? -1.059 -9.220 0.551 1.00 41.30 96 A 1 ATOM 763 N ND2 . ASN A 1 96 ? -0.009 -8.054 2.063 1.00 40.95 96 A 1 ATOM 764 N N . THR A 1 97 ? -2.525 -12.131 0.171 1.00 56.71 97 A 1 ATOM 765 C CA . THR A 1 97 ? -2.380 -12.881 -1.082 1.00 60.15 97 A 1 ATOM 766 C C . THR A 1 97 ? -2.260 -11.931 -2.268 1.00 61.80 97 A 1 ATOM 767 O O . THR A 1 97 ? -3.187 -11.185 -2.575 1.00 60.39 97 A 1 ATOM 768 C CB . THR A 1 97 ? -3.526 -13.876 -1.304 1.00 59.23 97 A 1 ATOM 769 O OG1 . THR A 1 97 ? -3.642 -14.725 -0.185 1.00 53.51 97 A 1 ATOM 770 C CG2 . THR A 1 97 ? -3.274 -14.776 -2.519 1.00 55.42 97 A 1 ATOM 771 N N . LYS A 1 98 ? -1.141 -11.991 -2.983 1.00 61.69 98 A 1 ATOM 772 C CA . LYS A 1 98 ? -0.956 -11.308 -4.273 1.00 63.31 98 A 1 ATOM 773 C C . LYS A 1 98 ? -1.116 -12.320 -5.405 1.00 66.06 98 A 1 ATOM 774 O O . LYS A 1 98 ? -0.444 -13.347 -5.399 1.00 65.09 98 A 1 ATOM 775 C CB . LYS A 1 98 ? 0.404 -10.592 -4.333 1.00 60.49 98 A 1 ATOM 776 C CG . LYS A 1 98 ? 0.509 -9.419 -3.337 1.00 53.98 98 A 1 ATOM 777 C CD . LYS A 1 98 ? 1.753 -8.545 -3.584 1.00 51.54 98 A 1 ATOM 778 C CE . LYS A 1 98 ? 1.742 -7.348 -2.621 1.00 46.16 98 A 1 ATOM 779 N NZ . LYS A 1 98 ? 2.690 -6.257 -2.992 1.00 42.78 98 A 1 ATOM 780 N N . TRP A 1 99 ? -1.985 -12.030 -6.371 1.00 64.95 99 A 1 ATOM 781 C CA . TRP A 1 99 ? -2.250 -12.908 -7.510 1.00 65.45 99 A 1 ATOM 782 C C . TRP A 1 99 ? -1.419 -12.525 -8.740 1.00 64.70 99 A 1 ATOM 783 O O . TRP A 1 99 ? -1.241 -11.348 -9.038 1.00 62.38 99 A 1 ATOM 784 C CB . TRP A 1 99 ? -3.747 -12.929 -7.813 1.00 64.95 99 A 1 ATOM 785 C CG . TRP A 1 99 ? -4.576 -13.575 -6.744 1.00 65.62 99 A 1 ATOM 786 C CD1 . TRP A 1 99 ? -5.273 -12.931 -5.780 1.00 62.38 99 A 1 ATOM 787 C CD2 . TRP A 1 99 ? -4.785 -15.000 -6.508 1.00 64.97 99 A 1 ATOM 788 N NE1 . TRP A 1 99 ? -5.903 -13.855 -4.965 1.00 61.79 99 A 1 ATOM 789 C CE2 . TRP A 1 99 ? -5.637 -15.147 -5.373 1.00 63.59 99 A 1 ATOM 790 C CE3 . TRP A 1 99 ? -4.342 -16.180 -7.139 1.00 62.74 99 A 1 ATOM 791 C CZ2 . TRP A 1 99 ? -6.034 -16.406 -4.892 1.00 63.53 99 A 1 ATOM 792 C CZ3 . TRP A 1 99 ? -4.735 -17.450 -6.663 1.00 59.99 99 A 1 ATOM 793 C CH2 . TRP A 1 99 ? -5.576 -17.562 -5.545 1.00 59.93 99 A 1 ATOM 794 N N . PHE A 1 100 ? -0.953 -13.531 -9.459 1.00 64.78 100 A 1 ATOM 795 C CA . PHE A 1 100 ? -0.115 -13.399 -10.649 1.00 64.40 100 A 1 ATOM 796 C C . PHE A 1 100 ? -0.618 -14.343 -11.735 1.00 64.42 100 A 1 ATOM 797 O O . PHE A 1 100 ? -0.947 -15.491 -11.455 1.00 63.24 100 A 1 ATOM 798 C CB . PHE A 1 100 ? 1.349 -13.726 -10.306 1.00 62.25 100 A 1 ATOM 799 C CG . PHE A 1 100 ? 1.905 -12.923 -9.147 1.00 57.44 100 A 1 ATOM 800 C CD1 . PHE A 1 100 ? 2.584 -11.712 -9.383 1.00 53.12 100 A 1 ATOM 801 C CD2 . PHE A 1 100 ? 1.696 -13.363 -7.829 1.00 52.43 100 A 1 ATOM 802 C CE1 . PHE A 1 100 ? 3.048 -10.946 -8.298 1.00 47.72 100 A 1 ATOM 803 C CE2 . PHE A 1 100 ? 2.156 -12.589 -6.746 1.00 48.07 100 A 1 ATOM 804 C CZ . PHE A 1 100 ? 2.832 -11.380 -6.980 1.00 46.91 100 A 1 ATOM 805 N N . VAL A 1 101 ? -0.633 -13.877 -12.974 1.00 63.63 101 A 1 ATOM 806 C CA . VAL A 1 101 ? -0.896 -14.737 -14.131 1.00 63.52 101 A 1 ATOM 807 C C . VAL A 1 101 ? 0.438 -15.042 -14.793 1.00 64.32 101 A 1 ATOM 808 O O . VAL A 1 101 ? 1.114 -14.133 -15.264 1.00 61.88 101 A 1 ATOM 809 C CB . VAL A 1 101 ? -1.901 -14.098 -15.103 1.00 60.35 101 A 1 ATOM 810 C CG1 . VAL A 1 101 ? -2.171 -15.021 -16.299 1.00 53.55 101 A 1 ATOM 811 C CG2 . VAL A 1 101 ? -3.239 -13.821 -14.406 1.00 54.72 101 A 1 ATOM 812 N N . VAL A 1 102 ? 0.827 -16.301 -14.813 1.00 65.14 102 A 1 ATOM 813 C CA . VAL A 1 102 ? 2.041 -16.752 -15.495 1.00 65.43 102 A 1 ATOM 814 C C . VAL A 1 102 ? 1.654 -17.240 -16.884 1.00 65.45 102 A 1 ATOM 815 O O . VAL A 1 102 ? 0.867 -18.176 -17.018 1.00 62.87 102 A 1 ATOM 816 C CB . VAL A 1 102 ? 2.775 -17.834 -14.683 1.00 63.52 102 A 1 ATOM 817 C CG1 . VAL A 1 102 ? 4.062 -18.281 -15.391 1.00 58.32 102 A 1 ATOM 818 C CG2 . VAL A 1 102 ? 3.162 -17.313 -13.290 1.00 60.94 102 A 1 ATOM 819 N N . ASN A 1 103 ? 2.215 -16.605 -17.905 1.00 60.56 103 A 1 ATOM 820 C CA . ASN A 1 103 ? 2.095 -17.050 -19.287 1.00 59.80 103 A 1 ATOM 821 C C . ASN A 1 103 ? 3.419 -17.700 -19.688 1.00 59.56 103 A 1 ATOM 822 O O . ASN A 1 103 ? 4.373 -17.013 -20.048 1.00 56.69 103 A 1 ATOM 823 C CB . ASN A 1 103 ? 1.706 -15.861 -20.183 1.00 56.55 103 A 1 ATOM 824 C CG . ASN A 1 103 ? 0.309 -15.346 -19.897 1.00 50.82 103 A 1 ATOM 825 O OD1 . ASN A 1 103 ? -0.638 -16.089 -19.720 1.00 47.40 103 A 1 ATOM 826 N ND2 . ASN A 1 103 ? 0.129 -14.046 -19.854 1.00 46.53 103 A 1 ATOM 827 N N . ASP A 1 104 ? 3.481 -19.007 -19.574 1.00 58.93 104 A 1 ATOM 828 C CA . ASP A 1 104 ? 4.623 -19.796 -20.025 1.00 59.42 104 A 1 ATOM 829 C C . ASP A 1 104 ? 4.393 -20.236 -21.475 1.00 58.15 104 A 1 ATOM 830 O O . ASP A 1 104 ? 3.382 -20.866 -21.790 1.00 56.58 104 A 1 ATOM 831 C CB . ASP A 1 104 ? 4.824 -20.975 -19.063 1.00 58.51 104 A 1 ATOM 832 C CG . ASP A 1 104 ? 5.922 -21.956 -19.484 1.00 55.37 104 A 1 ATOM 833 O OD1 . ASP A 1 104 ? 6.703 -21.648 -20.408 1.00 54.36 104 A 1 ATOM 834 O OD2 . ASP A 1 104 ? 5.937 -23.069 -18.917 1.00 54.23 104 A 1 ATOM 835 N N . GLU A 1 105 ? 5.338 -19.929 -22.358 1.00 55.04 105 A 1 ATOM 836 C CA . GLU A 1 105 ? 5.291 -20.321 -23.775 1.00 56.09 105 A 1 ATOM 837 C C . GLU A 1 105 ? 5.219 -21.848 -23.960 1.00 56.39 105 A 1 ATOM 838 O O . GLU A 1 105 ? 4.685 -22.332 -24.955 1.00 53.26 105 A 1 ATOM 839 C CB . GLU A 1 105 ? 6.530 -19.786 -24.511 1.00 53.86 105 A 1 ATOM 840 C CG . GLU A 1 105 ? 6.597 -18.248 -24.570 1.00 48.03 105 A 1 ATOM 841 C CD . GLU A 1 105 ? 7.781 -17.728 -25.417 1.00 44.03 105 A 1 ATOM 842 O OE1 . GLU A 1 105 ? 7.813 -16.504 -25.673 1.00 40.82 105 A 1 ATOM 843 O OE2 . GLU A 1 105 ? 8.647 -18.544 -25.812 1.00 42.56 105 A 1 ATOM 844 N N . THR A 1 106 ? 5.713 -22.606 -22.989 1.00 58.28 106 A 1 ATOM 845 C CA . THR A 1 106 ? 5.626 -24.078 -22.995 1.00 59.31 106 A 1 ATOM 846 C C . THR A 1 106 ? 4.281 -24.607 -22.489 1.00 60.56 106 A 1 ATOM 847 O O . THR A 1 106 ? 3.989 -25.794 -22.642 1.00 56.62 106 A 1 ATOM 848 C CB . THR A 1 106 ? 6.770 -24.724 -22.204 1.00 57.20 106 A 1 ATOM 849 O OG1 . THR A 1 106 ? 6.606 -24.584 -20.813 1.00 52.09 106 A 1 ATOM 850 C CG2 . THR A 1 106 ? 8.152 -24.192 -22.586 1.00 52.24 106 A 1 ATOM 851 N N . GLY A 1 107 ? 3.471 -23.745 -21.876 1.00 58.27 107 A 1 ATOM 852 C CA . GLY A 1 107 ? 2.160 -24.057 -21.309 1.00 59.15 107 A 1 ATOM 853 C C . GLY A 1 107 ? 2.192 -24.814 -19.979 1.00 61.28 107 A 1 ATOM 854 O O . GLY A 1 107 ? 1.152 -24.947 -19.337 1.00 57.84 107 A 1 ATOM 855 N N . ALA A 1 108 ? 3.354 -25.283 -19.533 1.00 62.59 108 A 1 ATOM 856 C CA . ALA A 1 108 ? 3.476 -26.139 -18.349 1.00 64.39 108 A 1 ATOM 857 C C . ALA A 1 108 ? 3.232 -25.399 -17.022 1.00 66.30 108 A 1 ATOM 858 O O . ALA A 1 108 ? 2.825 -26.019 -16.039 1.00 63.16 108 A 1 ATOM 859 C CB . ALA A 1 108 ? 4.866 -26.779 -18.371 1.00 61.23 108 A 1 ATOM 860 N N . LEU A 1 109 ? 3.482 -24.094 -17.004 1.00 64.53 109 A 1 ATOM 861 C CA . LEU A 1 109 ? 3.310 -23.225 -15.840 1.00 67.18 109 A 1 ATOM 862 C C . LEU A 1 109 ? 2.271 -22.123 -16.077 1.00 68.32 109 A 1 ATOM 863 O O . LEU A 1 109 ? 2.131 -21.239 -15.240 1.00 65.47 109 A 1 ATOM 864 C CB . LEU A 1 109 ? 4.673 -22.627 -15.446 1.00 65.32 109 A 1 ATOM 865 C CG . LEU A 1 109 ? 5.719 -23.653 -14.982 1.00 61.55 109 A 1 ATOM 866 C CD1 . LEU A 1 109 ? 7.052 -22.938 -14.746 1.00 59.33 109 A 1 ATOM 867 C CD2 . LEU A 1 109 ? 5.309 -24.340 -13.679 1.00 58.93 109 A 1 ATOM 868 N N . SER A 1 110 ? 1.569 -22.145 -17.212 1.00 69.08 110 A 1 ATOM 869 C CA . SER A 1 110 ? 0.557 -21.130 -17.497 1.00 70.41 110 A 1 ATOM 870 C C . SER A 1 110 ? -0.632 -21.272 -16.551 1.00 71.20 110 A 1 ATOM 871 O O . SER A 1 110 ? -1.241 -22.338 -16.463 1.00 68.47 110 A 1 ATOM 872 C CB . SER A 1 110 ? 0.087 -21.197 -18.945 1.00 68.15 110 A 1 ATOM 873 O OG . SER A 1 110 ? 1.161 -20.871 -19.802 1.00 61.37 110 A 1 ATOM 874 N N . GLY A 1 111 ? -0.973 -20.195 -15.847 1.00 72.90 111 A 1 ATOM 875 C CA . GLY A 1 111 ? -2.070 -20.194 -14.883 1.00 73.80 111 A 1 ATOM 876 C C . GLY A 1 111 ? -2.011 -19.025 -13.903 1.00 74.76 111 A 1 ATOM 877 O O . GLY A 1 111 ? -1.081 -18.219 -13.921 1.00 73.38 111 A 1 ATOM 878 N N . LYS A 1 112 ? -3.024 -18.955 -13.043 1.00 72.68 112 A 1 ATOM 879 C CA . LYS A 1 112 ? -3.125 -17.977 -11.954 1.00 73.77 112 A 1 ATOM 880 C C . LYS A 1 112 ? -2.529 -18.571 -10.676 1.00 75.85 112 A 1 ATOM 881 O O . LYS A 1 112 ? -2.912 -19.659 -10.250 1.00 75.13 112 A 1 ATOM 882 C CB . LYS A 1 112 ? -4.596 -17.553 -11.803 1.00 70.47 112 A 1 ATOM 883 C CG . LYS A 1 112 ? -4.824 -16.373 -10.838 1.00 63.47 112 A 1 ATOM 884 C CD . LYS A 1 112 ? -6.331 -16.047 -10.773 1.00 62.28 112 A 1 ATOM 885 C CE . LYS A 1 112 ? -6.667 -14.908 -9.800 1.00 56.93 112 A 1 ATOM 886 N NZ . LYS A 1 112 ? -8.142 -14.710 -9.670 1.00 52.88 112 A 1 ATOM 887 N N . TYR A 1 113 ? -1.599 -17.852 -10.073 1.00 74.54 113 A 1 ATOM 888 C CA . TYR A 1 113 ? -0.911 -18.240 -8.845 1.00 75.14 113 A 1 ATOM 889 C C . TYR A 1 113 ? -1.023 -17.137 -7.798 1.00 74.03 113 A 1 ATOM 890 O O . TYR A 1 113 ? -0.935 -15.955 -8.123 1.00 72.12 113 A 1 ATOM 891 C CB . TYR A 1 113 ? 0.557 -18.551 -9.146 1.00 76.11 113 A 1 ATOM 892 C CG . TYR A 1 113 ? 0.756 -19.707 -10.103 1.00 77.07 113 A 1 ATOM 893 C CD1 . TYR A 1 113 ? 0.773 -21.029 -9.617 1.00 71.68 113 A 1 ATOM 894 C CD2 . TYR A 1 113 ? 0.891 -19.466 -11.484 1.00 71.77 113 A 1 ATOM 895 C CE1 . TYR A 1 113 ? 0.930 -22.107 -10.507 1.00 69.59 113 A 1 ATOM 896 C CE2 . TYR A 1 113 ? 1.045 -20.541 -12.374 1.00 69.80 113 A 1 ATOM 897 C CZ . TYR A 1 113 ? 1.067 -21.864 -11.886 1.00 74.42 113 A 1 ATOM 898 O OH . TYR A 1 113 ? 1.217 -22.906 -12.745 1.00 73.01 113 A 1 ATOM 899 N N . GLY A 1 114 ? -1.191 -17.518 -6.544 1.00 77.35 114 A 1 ATOM 900 C CA . GLY A 1 114 ? -1.171 -16.630 -5.393 1.00 77.10 114 A 1 ATOM 901 C C . GLY A 1 114 ? 0.165 -16.698 -4.665 1.00 78.14 114 A 1 ATOM 902 O O . GLY A 1 114 ? 0.665 -17.775 -4.367 1.00 76.89 114 A 1 ATOM 903 N N . SER A 1 115 ? 0.734 -15.542 -4.354 1.00 74.74 115 A 1 ATOM 904 C CA . SER A 1 115 ? 1.806 -15.381 -3.373 1.00 73.24 115 A 1 ATOM 905 C C . SER A 1 115 ? 1.179 -15.013 -2.037 1.00 72.30 115 A 1 ATOM 906 O O . SER A 1 115 ? 0.626 -13.922 -1.905 1.00 71.02 115 A 1 ATOM 907 C CB . SER A 1 115 ? 2.731 -14.260 -3.820 1.00 71.28 115 A 1 ATOM 908 O OG . SER A 1 115 ? 3.761 -14.050 -2.882 1.00 64.20 115 A 1 ATOM 909 N N . VAL A 1 116 ? 1.251 -15.913 -1.075 1.00 71.97 116 A 1 ATOM 910 C CA . VAL A 1 116 ? 0.582 -15.776 0.218 1.00 71.48 116 A 1 ATOM 911 C C . VAL A 1 116 ? 1.616 -15.527 1.308 1.00 71.20 116 A 1 ATOM 912 O O . VAL A 1 116 ? 2.546 -16.313 1.482 1.00 69.33 116 A 1 ATOM 913 C CB . VAL A 1 116 ? -0.272 -17.011 0.543 1.00 69.70 116 A 1 ATOM 914 C CG1 . VAL A 1 116 ? -1.113 -16.757 1.803 1.00 63.91 116 A 1 ATOM 915 C CG2 . VAL A 1 116 ? -1.223 -17.372 -0.603 1.00 65.65 116 A 1 ATOM 916 N N . TYR A 1 117 ? 1.436 -14.450 2.053 1.00 65.55 117 A 1 ATOM 917 C CA . TYR A 1 117 ? 2.228 -14.091 3.222 1.00 63.87 117 A 1 ATOM 918 C C . TYR A 1 117 ? 1.383 -14.285 4.479 1.00 63.22 117 A 1 ATOM 919 O O . TYR A 1 117 ? 0.282 -13.750 4.580 1.00 60.56 117 A 1 ATOM 920 C CB . TYR A 1 117 ? 2.729 -12.649 3.102 1.00 60.79 117 A 1 ATOM 921 C CG . TYR A 1 117 ? 3.685 -12.426 1.943 1.00 56.05 117 A 1 ATOM 922 C CD1 . TYR A 1 117 ? 5.075 -12.513 2.148 1.00 52.81 117 A 1 ATOM 923 C CD2 . TYR A 1 117 ? 3.181 -12.149 0.655 1.00 51.61 117 A 1 ATOM 924 C CE1 . TYR A 1 117 ? 5.962 -12.312 1.071 1.00 48.54 117 A 1 ATOM 925 C CE2 . TYR A 1 117 ? 4.064 -11.958 -0.424 1.00 48.47 117 A 1 ATOM 926 C CZ . TYR A 1 117 ? 5.456 -12.037 -0.217 1.00 48.41 117 A 1 ATOM 927 O OH . TYR A 1 117 ? 6.308 -11.847 -1.260 1.00 48.82 117 A 1 ATOM 928 N N . THR A 1 118 ? 1.912 -15.046 5.425 1.00 63.34 118 A 1 ATOM 929 C CA . THR A 1 118 ? 1.319 -15.298 6.744 1.00 62.54 118 A 1 ATOM 930 C C . THR A 1 118 ? 2.376 -15.084 7.825 1.00 61.86 118 A 1 ATOM 931 O O . THR A 1 118 ? 3.574 -15.049 7.533 1.00 58.47 118 A 1 ATOM 932 C CB . THR A 1 118 ? 0.749 -16.724 6.857 1.00 60.23 118 A 1 ATOM 933 O OG1 . THR A 1 118 ? 1.772 -17.693 6.897 1.00 55.96 118 A 1 ATOM 934 C CG2 . THR A 1 118 ? -0.188 -17.112 5.715 1.00 57.71 118 A 1 ATOM 935 N N . GLU A 1 119 ? 1.967 -15.036 9.089 1.00 55.98 119 A 1 ATOM 936 C CA . GLU A 1 119 ? 2.905 -15.004 10.225 1.00 57.35 119 A 1 ATOM 937 C C . GLU A 1 119 ? 3.869 -16.205 10.248 1.00 58.97 119 A 1 ATOM 938 O O . GLU A 1 119 ? 5.006 -16.107 10.704 1.00 56.05 119 A 1 ATOM 939 C CB . GLU A 1 119 ? 2.133 -15.037 11.544 1.00 54.82 119 A 1 ATOM 940 C CG . GLU A 1 119 ? 1.221 -13.829 11.764 1.00 48.19 119 A 1 ATOM 941 C CD . GLU A 1 119 ? 0.723 -13.828 13.214 1.00 44.24 119 A 1 ATOM 942 O OE1 . GLU A 1 119 ? 0.752 -12.749 13.822 1.00 41.13 119 A 1 ATOM 943 O OE2 . GLU A 1 119 ? 0.390 -14.927 13.734 1.00 42.05 119 A 1 ATOM 944 N N . SER A 1 120 ? 3.414 -17.352 9.738 1.00 64.93 120 A 1 ATOM 945 C CA . SER A 1 120 ? 4.210 -18.584 9.681 1.00 66.50 120 A 1 ATOM 946 C C . SER A 1 120 ? 5.178 -18.633 8.496 1.00 68.21 120 A 1 ATOM 947 O O . SER A 1 120 ? 5.956 -19.581 8.386 1.00 65.25 120 A 1 ATOM 948 C CB . SER A 1 120 ? 3.280 -19.798 9.646 1.00 63.93 120 A 1 ATOM 949 O OG . SER A 1 120 ? 2.411 -19.798 10.762 1.00 58.62 120 A 1 ATOM 950 N N . GLY A 1 121 ? 5.131 -17.650 7.614 1.00 69.54 121 A 1 ATOM 951 C CA . GLY A 1 121 ? 5.994 -17.536 6.446 1.00 70.47 121 A 1 ATOM 952 C C . GLY A 1 121 ? 5.233 -17.339 5.137 1.00 73.01 121 A 1 ATOM 953 O O . GLY A 1 121 ? 4.063 -16.966 5.102 1.00 71.23 121 A 1 ATOM 954 N N . TRP A 1 122 ? 5.937 -17.581 4.052 1.00 73.15 122 A 1 ATOM 955 C CA . TRP A 1 122 ? 5.487 -17.342 2.686 1.00 74.86 122 A 1 ATOM 956 C C . TRP A 1 122 ? 5.253 -18.666 1.941 1.00 76.03 122 A 1 ATOM 957 O O . TRP A 1 122 ? 6.030 -19.606 2.106 1.00 75.48 122 A 1 ATOM 958 C CB . TRP A 1 122 ? 6.540 -16.476 1.999 1.00 73.05 122 A 1 ATOM 959 C CG . TRP A 1 122 ? 6.418 -16.377 0.516 1.00 69.35 122 A 1 ATOM 960 C CD1 . TRP A 1 122 ? 5.714 -15.449 -0.157 1.00 64.65 122 A 1 ATOM 961 C CD2 . TRP A 1 122 ? 6.973 -17.270 -0.497 1.00 66.03 122 A 1 ATOM 962 N NE1 . TRP A 1 122 ? 5.791 -15.695 -1.513 1.00 61.29 122 A 1 ATOM 963 C CE2 . TRP A 1 122 ? 6.546 -16.819 -1.782 1.00 62.78 122 A 1 ATOM 964 C CE3 . TRP A 1 122 ? 7.779 -18.426 -0.469 1.00 60.28 122 A 1 ATOM 965 C CZ2 . TRP A 1 122 ? 6.874 -17.484 -2.968 1.00 62.21 122 A 1 ATOM 966 C CZ3 . TRP A 1 122 ? 8.125 -19.104 -1.657 1.00 59.65 122 A 1 ATOM 967 C CH2 . TRP A 1 122 ? 7.670 -18.635 -2.902 1.00 59.28 122 A 1 ATOM 968 N N . TYR A 1 123 ? 4.220 -18.718 1.087 1.00 78.47 123 A 1 ATOM 969 C CA . TYR A 1 123 ? 3.973 -19.856 0.198 1.00 79.57 123 A 1 ATOM 970 C C . TYR A 1 123 ? 3.266 -19.465 -1.107 1.00 79.89 123 A 1 ATOM 971 O O . TYR A 1 123 ? 2.700 -18.382 -1.228 1.00 79.50 123 A 1 ATOM 972 C CB . TYR A 1 123 ? 3.197 -20.948 0.948 1.00 79.04 123 A 1 ATOM 973 C CG . TYR A 1 123 ? 1.775 -20.612 1.355 1.00 79.09 123 A 1 ATOM 974 C CD1 . TYR A 1 123 ? 1.516 -20.067 2.628 1.00 75.21 123 A 1 ATOM 975 C CD2 . TYR A 1 123 ? 0.706 -20.889 0.482 1.00 74.59 123 A 1 ATOM 976 C CE1 . TYR A 1 123 ? 0.193 -19.802 3.024 1.00 71.83 123 A 1 ATOM 977 C CE2 . TYR A 1 123 ? -0.617 -20.620 0.874 1.00 71.88 123 A 1 ATOM 978 C CZ . TYR A 1 123 ? -0.876 -20.079 2.145 1.00 75.09 123 A 1 ATOM 979 O OH . TYR A 1 123 ? -2.155 -19.823 2.523 1.00 73.38 123 A 1 ATOM 980 N N . ILE A 1 124 ? 3.298 -20.379 -2.082 1.00 80.55 124 A 1 ATOM 981 C CA . ILE A 1 124 ? 2.599 -20.245 -3.366 1.00 81.57 124 A 1 ATOM 982 C C . ILE A 1 124 ? 1.330 -21.104 -3.333 1.00 82.11 124 A 1 ATOM 983 O O . ILE A 1 124 ? 1.368 -22.273 -2.940 1.00 81.65 124 A 1 ATOM 984 C CB . ILE A 1 124 ? 3.518 -20.612 -4.558 1.00 80.44 124 A 1 ATOM 985 C CG1 . ILE A 1 124 ? 4.796 -19.735 -4.563 1.00 76.69 124 A 1 ATOM 986 C CG2 . ILE A 1 124 ? 2.768 -20.446 -5.895 1.00 76.75 124 A 1 ATOM 987 C CD1 . ILE A 1 124 ? 5.844 -20.160 -5.598 1.00 71.32 124 A 1 ATOM 988 N N . CYS A 1 125 ? 0.210 -20.536 -3.793 1.00 80.96 125 A 1 ATOM 989 C CA . CYS A 1 125 ? -1.044 -21.254 -3.999 1.00 80.50 125 A 1 ATOM 990 C C . CYS A 1 125 ? -1.491 -21.226 -5.466 1.00 80.81 125 A 1 ATOM 991 O O . CYS A 1 125 ? -1.034 -20.406 -6.266 1.00 80.75 125 A 1 ATOM 992 C CB . CYS A 1 125 ? -2.109 -20.736 -3.023 1.00 78.43 125 A 1 ATOM 993 S SG . CYS A 1 125 ? -2.621 -19.040 -3.411 1.00 74.81 125 A 1 ATOM 994 N N . ASN A 1 126 ? -2.365 -22.161 -5.840 1.00 81.49 126 A 1 ATOM 995 C CA . ASN A 1 126 ? -3.060 -22.159 -7.125 1.00 80.86 126 A 1 ATOM 996 C C . ASN A 1 126 ? -4.281 -21.221 -7.096 1.00 80.20 126 A 1 ATOM 997 O O . ASN A 1 126 ? -4.572 -20.581 -6.089 1.00 78.73 126 A 1 ATOM 998 C CB . ASN A 1 126 ? -3.407 -23.615 -7.511 1.00 79.56 126 A 1 ATOM 999 C CG . ASN A 1 126 ? -4.420 -24.284 -6.599 1.00 80.42 126 A 1 ATOM 1000 O OD1 . ASN A 1 126 ? -5.050 -23.673 -5.761 1.00 76.39 126 A 1 ATOM 1001 N ND2 . ASN A 1 126 ? -4.616 -25.572 -6.747 1.00 76.07 126 A 1 ATOM 1002 N N . GLU A 1 127 ? -5.027 -21.173 -8.198 1.00 77.43 127 A 1 ATOM 1003 C CA . GLU A 1 127 ? -6.236 -20.345 -8.337 1.00 76.61 127 A 1 ATOM 1004 C C . GLU A 1 127 ? -7.325 -20.650 -7.294 1.00 75.29 127 A 1 ATOM 1005 O O . GLU A 1 127 ? -8.044 -19.742 -6.889 1.00 71.69 127 A 1 ATOM 1006 C CB . GLU A 1 127 ? -6.759 -20.537 -9.763 1.00 74.00 127 A 1 ATOM 1007 C CG . GLU A 1 127 ? -7.968 -19.646 -10.088 1.00 68.06 127 A 1 ATOM 1008 C CD . GLU A 1 127 ? -8.274 -19.601 -11.591 1.00 66.50 127 A 1 ATOM 1009 O OE1 . GLU A 1 127 ? -8.826 -18.567 -12.023 1.00 60.16 127 A 1 ATOM 1010 O OE2 . GLU A 1 127 ? -7.892 -20.560 -12.304 1.00 60.96 127 A 1 ATOM 1011 N N . SER A 1 128 ? -7.402 -21.888 -6.809 1.00 78.47 128 A 1 ATOM 1012 C CA . SER A 1 128 ? -8.337 -22.278 -5.743 1.00 77.79 128 A 1 ATOM 1013 C C . SER A 1 128 ? -7.831 -21.978 -4.323 1.00 76.85 128 A 1 ATOM 1014 O O . SER A 1 128 ? -8.441 -22.423 -3.356 1.00 72.93 128 A 1 ATOM 1015 C CB . SER A 1 128 ? -8.726 -23.755 -5.894 1.00 77.63 128 A 1 ATOM 1016 O OG . SER A 1 128 ? -7.616 -24.620 -5.748 1.00 73.80 128 A 1 ATOM 1017 N N . GLY A 1 129 ? -6.691 -21.299 -4.175 1.00 77.41 129 A 1 ATOM 1018 C CA . GLY A 1 129 ? -6.077 -20.999 -2.879 1.00 75.83 129 A 1 ATOM 1019 C C . GLY A 1 129 ? -5.328 -22.173 -2.235 1.00 78.01 129 A 1 ATOM 1020 O O . GLY A 1 129 ? -4.782 -22.043 -1.139 1.00 74.98 129 A 1 ATOM 1021 N N . GLU A 1 130 ? -5.255 -23.332 -2.896 1.00 78.05 130 A 1 ATOM 1022 C CA . GLU A 1 130 ? -4.542 -24.495 -2.361 1.00 80.83 130 A 1 ATOM 1023 C C . GLU A 1 130 ? -3.025 -24.285 -2.437 1.00 81.63 130 A 1 ATOM 1024 O O . GLU A 1 130 ? -2.480 -23.955 -3.492 1.00 80.66 130 A 1 ATOM 1025 C CB . GLU A 1 130 ? -4.953 -25.771 -3.119 1.00 80.05 130 A 1 ATOM 1026 C CG . GLU A 1 130 ? -4.441 -27.046 -2.433 1.00 74.12 130 A 1 ATOM 1027 C CD . GLU A 1 130 ? -4.563 -28.317 -3.285 1.00 70.16 130 A 1 ATOM 1028 O OE1 . GLU A 1 130 ? -4.227 -29.409 -2.771 1.00 63.07 130 A 1 ATOM 1029 O OE2 . GLU A 1 130 ? -4.780 -28.255 -4.517 1.00 63.92 130 A 1 ATOM 1030 N N . LYS A 1 131 ? -2.321 -24.550 -1.333 1.00 82.07 131 A 1 ATOM 1031 C CA . LYS A 1 131 ? -0.854 -24.514 -1.287 1.00 83.13 131 A 1 ATOM 1032 C C . LYS A 1 131 ? -0.255 -25.581 -2.215 1.00 83.63 131 A 1 ATOM 1033 O O . LYS A 1 131 ? -0.513 -26.768 -2.043 1.00 82.38 131 A 1 ATOM 1034 C CB . LYS A 1 131 ? -0.394 -24.669 0.171 1.00 81.06 131 A 1 ATOM 1035 C CG . LYS A 1 131 ? 1.128 -24.551 0.283 1.00 76.24 131 A 1 ATOM 1036 C CD . LYS A 1 131 ? 1.611 -24.522 1.744 1.00 74.50 131 A 1 ATOM 1037 C CE . LYS A 1 131 ? 3.130 -24.334 1.670 1.00 68.53 131 A 1 ATOM 1038 N NZ . LYS A 1 131 ? 3.768 -23.936 2.944 1.00 63.49 131 A 1 ATOM 1039 N N . ILE A 1 132 ? 0.576 -25.157 -3.165 1.00 84.20 132 A 1 ATOM 1040 C CA . ILE A 1 132 ? 1.111 -26.034 -4.221 1.00 83.04 132 A 1 ATOM 1041 C C . ILE A 1 132 ? 2.632 -26.216 -4.204 1.00 81.86 132 A 1 ATOM 1042 O O . ILE A 1 132 ? 3.153 -26.934 -5.053 1.00 79.26 132 A 1 ATOM 1043 C CB . ILE A 1 132 ? 0.632 -25.592 -5.619 1.00 81.68 132 A 1 ATOM 1044 C CG1 . ILE A 1 132 ? 1.030 -24.135 -5.928 1.00 76.89 132 A 1 ATOM 1045 C CG2 . ILE A 1 132 ? -0.882 -25.818 -5.750 1.00 74.93 132 A 1 ATOM 1046 C CD1 . ILE A 1 132 ? 0.900 -23.787 -7.412 1.00 72.34 132 A 1 ATOM 1047 N N . GLU A 1 133 ? 3.355 -25.633 -3.252 1.00 79.16 133 A 1 ATOM 1048 C CA . GLU A 1 133 ? 4.826 -25.755 -3.200 1.00 77.34 133 A 1 ATOM 1049 C C . GLU A 1 133 ? 5.311 -27.214 -3.201 1.00 76.85 133 A 1 ATOM 1050 O O . GLU A 1 133 ? 6.307 -27.539 -3.832 1.00 74.21 133 A 1 ATOM 1051 C CB . GLU A 1 133 ? 5.371 -25.082 -1.940 1.00 74.98 133 A 1 ATOM 1052 C CG . GLU A 1 133 ? 5.176 -23.566 -1.936 1.00 69.58 133 A 1 ATOM 1053 C CD . GLU A 1 133 ? 5.778 -22.934 -0.677 1.00 68.09 133 A 1 ATOM 1054 O OE1 . GLU A 1 133 ? 6.377 -21.855 -0.812 1.00 62.43 133 A 1 ATOM 1055 O OE2 . GLU A 1 133 ? 5.589 -23.515 0.429 1.00 61.64 133 A 1 ATOM 1056 N N . ASN A 1 134 ? 4.572 -28.103 -2.542 1.00 79.38 134 A 1 ATOM 1057 C CA . ASN A 1 134 ? 4.866 -29.537 -2.500 1.00 78.92 134 A 1 ATOM 1058 C C . ASN A 1 134 ? 4.574 -30.274 -3.823 1.00 80.32 134 A 1 ATOM 1059 O O . ASN A 1 134 ? 4.958 -31.431 -3.968 1.00 77.97 134 A 1 ATOM 1060 C CB . ASN A 1 134 ? 4.072 -30.161 -1.336 1.00 76.58 134 A 1 ATOM 1061 C CG . ASN A 1 134 ? 2.560 -30.076 -1.511 1.00 71.11 134 A 1 ATOM 1062 O OD1 . ASN A 1 134 ? 2.023 -29.210 -2.175 1.00 65.10 134 A 1 ATOM 1063 N ND2 . ASN A 1 134 ? 1.810 -30.962 -0.899 1.00 64.34 134 A 1 ATOM 1064 N N . LYS A 1 135 ? 3.865 -29.634 -4.759 1.00 78.95 135 A 1 ATOM 1065 C CA . LYS A 1 135 ? 3.525 -30.165 -6.087 1.00 78.43 135 A 1 ATOM 1066 C C . LYS A 1 135 ? 4.441 -29.614 -7.188 1.00 79.06 135 A 1 ATOM 1067 O O . LYS A 1 135 ? 4.366 -30.077 -8.325 1.00 77.01 135 A 1 ATOM 1068 C CB . LYS A 1 135 ? 2.047 -29.873 -6.411 1.00 77.81 135 A 1 ATOM 1069 C CG . LYS A 1 135 ? 1.050 -30.455 -5.391 1.00 75.51 135 A 1 ATOM 1070 C CD . LYS A 1 135 ? -0.404 -30.131 -5.793 1.00 71.96 135 A 1 ATOM 1071 C CE . LYS A 1 135 ? -1.397 -30.624 -4.733 1.00 67.89 135 A 1 ATOM 1072 N NZ . LYS A 1 135 ? -2.795 -30.189 -5.016 1.00 61.51 135 A 1 ATOM 1073 N N . LEU A 1 136 ? 5.268 -28.632 -6.860 1.00 79.35 136 A 1 ATOM 1074 C CA . LEU A 1 136 ? 6.172 -27.962 -7.787 1.00 78.82 136 A 1 ATOM 1075 C C . LEU A 1 136 ? 7.623 -28.379 -7.520 1.00 79.48 136 A 1 ATOM 1076 O O . LEU A 1 136 ? 8.033 -28.580 -6.380 1.00 78.70 136 A 1 ATOM 1077 C CB . LEU A 1 136 ? 5.999 -26.441 -7.669 1.00 77.76 136 A 1 ATOM 1078 C CG . LEU A 1 136 ? 4.615 -25.903 -8.074 1.00 76.03 136 A 1 ATOM 1079 C CD1 . LEU A 1 136 ? 4.573 -24.397 -7.808 1.00 72.71 136 A 1 ATOM 1080 C CD2 . LEU A 1 136 ? 4.290 -26.138 -9.546 1.00 72.30 136 A 1 ATOM 1081 N N . THR A 1 137 ? 8.408 -28.467 -8.581 1.00 78.75 137 A 1 ATOM 1082 C CA . THR A 1 137 ? 9.864 -28.616 -8.462 1.00 78.64 137 A 1 ATOM 1083 C C . THR A 1 137 ? 10.511 -27.283 -8.067 1.00 79.91 137 A 1 ATOM 1084 O O . THR A 1 137 ? 9.959 -26.215 -8.345 1.00 79.07 137 A 1 ATOM 1085 C CB . THR A 1 137 ? 10.485 -29.145 -9.764 1.00 77.50 137 A 1 ATOM 1086 O OG1 . THR A 1 137 ? 10.268 -28.239 -10.820 1.00 73.57 137 A 1 ATOM 1087 C CG2 . THR A 1 137 ? 9.903 -30.496 -10.194 1.00 71.77 137 A 1 ATOM 1088 N N . GLU A 1 138 ? 11.712 -27.312 -7.490 1.00 77.40 138 A 1 ATOM 1089 C CA . GLU A 1 138 ? 12.462 -26.092 -7.142 1.00 78.10 138 A 1 ATOM 1090 C C . GLU A 1 138 ? 12.658 -25.156 -8.347 1.00 78.31 138 A 1 ATOM 1091 O O . GLU A 1 138 ? 12.516 -23.940 -8.228 1.00 77.09 138 A 1 ATOM 1092 C CB . GLU A 1 138 ? 13.838 -26.466 -6.569 1.00 77.55 138 A 1 ATOM 1093 C CG . GLU A 1 138 ? 13.744 -27.159 -5.201 1.00 72.33 138 A 1 ATOM 1094 C CD . GLU A 1 138 ? 15.120 -27.460 -4.583 1.00 68.09 138 A 1 ATOM 1095 O OE1 . GLU A 1 138 ? 15.137 -27.817 -3.385 1.00 61.94 138 A 1 ATOM 1096 O OE2 . GLU A 1 138 ? 16.138 -27.353 -5.308 1.00 63.23 138 A 1 ATOM 1097 N N . ASN A 1 139 ? 12.890 -25.723 -9.527 1.00 75.23 139 A 1 ATOM 1098 C CA . ASN A 1 139 ? 13.018 -24.955 -10.765 1.00 74.10 139 A 1 ATOM 1099 C C . ASN A 1 139 ? 11.711 -24.252 -11.150 1.00 74.68 139 A 1 ATOM 1100 O O . ASN A 1 139 ? 11.741 -23.094 -11.560 1.00 73.43 139 A 1 ATOM 1101 C CB . ASN A 1 139 ? 13.493 -25.884 -11.894 1.00 72.72 139 A 1 ATOM 1102 C CG . ASN A 1 139 ? 14.953 -26.291 -11.766 1.00 67.63 139 A 1 ATOM 1103 O OD1 . ASN A 1 139 ? 15.751 -25.689 -11.070 1.00 62.02 139 A 1 ATOM 1104 N ND2 . ASN A 1 139 ? 15.364 -27.324 -12.463 1.00 60.15 139 A 1 ATOM 1105 N N . GLN A 1 140 ? 10.564 -24.913 -10.979 1.00 74.79 140 A 1 ATOM 1106 C CA . GLN A 1 140 ? 9.255 -24.310 -11.241 1.00 74.77 140 A 1 ATOM 1107 C C . GLN A 1 140 ? 8.952 -23.186 -10.245 1.00 75.86 140 A 1 ATOM 1108 O O . GLN A 1 140 ? 8.517 -22.112 -10.654 1.00 76.10 140 A 1 ATOM 1109 C CB . GLN A 1 140 ? 8.166 -25.385 -11.179 1.00 74.43 140 A 1 ATOM 1110 C CG . GLN A 1 140 ? 8.181 -26.303 -12.409 1.00 73.60 140 A 1 ATOM 1111 C CD . GLN A 1 140 ? 7.303 -27.526 -12.205 1.00 71.49 140 A 1 ATOM 1112 O OE1 . GLN A 1 140 ? 7.355 -28.188 -11.182 1.00 67.96 140 A 1 ATOM 1113 N NE2 . GLN A 1 140 ? 6.487 -27.887 -13.168 1.00 64.97 140 A 1 ATOM 1114 N N . ILE A 1 141 ? 9.249 -23.399 -8.961 1.00 77.45 141 A 1 ATOM 1115 C CA . ILE A 1 141 ? 9.112 -22.362 -7.930 1.00 77.37 141 A 1 ATOM 1116 C C . ILE A 1 141 ? 9.997 -21.158 -8.270 1.00 77.01 141 A 1 ATOM 1117 O O . ILE A 1 141 ? 9.537 -20.016 -8.211 1.00 75.73 141 A 1 ATOM 1118 C CB . ILE A 1 141 ? 9.447 -22.939 -6.533 1.00 77.98 141 A 1 ATOM 1119 C CG1 . ILE A 1 141 ? 8.412 -24.019 -6.137 1.00 76.31 141 A 1 ATOM 1120 C CG2 . ILE A 1 141 ? 9.488 -21.825 -5.469 1.00 75.77 141 A 1 ATOM 1121 C CD1 . ILE A 1 141 ? 8.784 -24.817 -4.880 1.00 70.99 141 A 1 ATOM 1122 N N . SER A 1 142 ? 11.244 -21.398 -8.664 1.00 78.15 142 A 1 ATOM 1123 C CA . SER A 1 142 ? 12.167 -20.339 -9.080 1.00 76.56 142 A 1 ATOM 1124 C C . SER A 1 142 ? 11.654 -19.581 -10.309 1.00 75.34 142 A 1 ATOM 1125 O O . SER A 1 142 ? 11.678 -18.354 -10.319 1.00 73.87 142 A 1 ATOM 1126 C CB . SER A 1 142 ? 13.545 -20.941 -9.359 1.00 76.59 142 A 1 ATOM 1127 O OG . SER A 1 142 ? 14.489 -19.909 -9.567 1.00 68.71 142 A 1 ATOM 1128 N N . SER A 1 143 ? 11.127 -20.282 -11.313 1.00 72.97 143 A 1 ATOM 1129 C CA . SER A 1 143 ? 10.554 -19.663 -12.516 1.00 71.07 143 A 1 ATOM 1130 C C . SER A 1 143 ? 9.338 -18.789 -12.198 1.00 71.16 143 A 1 ATOM 1131 O O . SER A 1 143 ? 9.249 -17.669 -12.699 1.00 70.08 143 A 1 ATOM 1132 C CB . SER A 1 143 ? 10.164 -20.733 -13.538 1.00 69.38 143 A 1 ATOM 1133 O OG . SER A 1 143 ? 11.300 -21.467 -13.943 1.00 62.43 143 A 1 ATOM 1134 N N . ILE A 1 144 ? 8.443 -19.262 -11.321 1.00 72.70 144 A 1 ATOM 1135 C CA . ILE A 1 144 ? 7.291 -18.477 -10.858 1.00 72.04 144 A 1 ATOM 1136 C C . ILE A 1 144 ? 7.775 -17.232 -10.104 1.00 71.15 144 A 1 ATOM 1137 O O . ILE A 1 144 ? 7.316 -16.134 -10.408 1.00 70.38 144 A 1 ATOM 1138 C CB . ILE A 1 144 ? 6.325 -19.346 -10.020 1.00 72.64 144 A 1 ATOM 1139 C CG1 . ILE A 1 144 ? 5.666 -20.430 -10.910 1.00 70.89 144 A 1 ATOM 1140 C CG2 . ILE A 1 144 ? 5.225 -18.480 -9.371 1.00 70.82 144 A 1 ATOM 1141 C CD1 . ILE A 1 144 ? 4.944 -21.531 -10.121 1.00 67.34 144 A 1 ATOM 1142 N N . ARG A 1 145 ? 8.758 -17.357 -9.204 1.00 74.68 145 A 1 ATOM 1143 C CA . ARG A 1 145 ? 9.344 -16.200 -8.498 1.00 72.57 145 A 1 ATOM 1144 C C . ARG A 1 145 ? 9.922 -15.167 -9.459 1.00 71.74 145 A 1 ATOM 1145 O O . ARG A 1 145 ? 9.655 -13.982 -9.307 1.00 70.46 145 A 1 ATOM 1146 C CB . ARG A 1 145 ? 10.436 -16.650 -7.521 1.00 71.54 145 A 1 ATOM 1147 C CG . ARG A 1 145 ? 9.865 -17.315 -6.266 1.00 66.79 145 A 1 ATOM 1148 C CD . ARG A 1 145 ? 11.028 -17.712 -5.350 1.00 65.55 145 A 1 ATOM 1149 N NE . ARG A 1 145 ? 10.559 -18.413 -4.144 1.00 60.78 145 A 1 ATOM 1150 C CZ . ARG A 1 145 ? 11.285 -18.710 -3.081 1.00 55.96 145 A 1 ATOM 1151 N NH1 . ARG A 1 145 ? 12.536 -18.369 -2.985 1.00 52.85 145 A 1 ATOM 1152 N NH2 . ARG A 1 145 ? 10.762 -19.368 -2.089 1.00 50.84 145 A 1 ATOM 1153 N N . VAL A 1 146 ? 10.665 -15.603 -10.463 1.00 69.51 146 A 1 ATOM 1154 C CA . VAL A 1 146 ? 11.227 -14.701 -11.478 1.00 68.82 146 A 1 ATOM 1155 C C . VAL A 1 146 ? 10.120 -13.995 -12.268 1.00 68.21 146 A 1 ATOM 1156 O O . VAL A 1 146 ? 10.245 -12.805 -12.553 1.00 66.44 146 A 1 ATOM 1157 C CB . VAL A 1 146 ? 12.186 -15.467 -12.413 1.00 68.36 146 A 1 ATOM 1158 C CG1 . VAL A 1 146 ? 12.632 -14.630 -13.624 1.00 65.37 146 A 1 ATOM 1159 C CG2 . VAL A 1 146 ? 13.462 -15.875 -11.665 1.00 65.70 146 A 1 ATOM 1160 N N . ALA A 1 147 ? 9.030 -14.683 -12.601 1.00 66.06 147 A 1 ATOM 1161 C CA . ALA A 1 147 ? 7.878 -14.065 -13.256 1.00 64.32 147 A 1 ATOM 1162 C C . ALA A 1 147 ? 7.179 -13.035 -12.347 1.00 64.33 147 A 1 ATOM 1163 O O . ALA A 1 147 ? 6.768 -11.973 -12.816 1.00 62.56 147 A 1 ATOM 1164 C CB . ALA A 1 147 ? 6.923 -15.177 -13.712 1.00 62.00 147 A 1 ATOM 1165 N N . MET A 1 148 ? 7.099 -13.323 -11.043 1.00 64.27 148 A 1 ATOM 1166 C CA . MET A 1 148 ? 6.566 -12.399 -10.036 1.00 63.21 148 A 1 ATOM 1167 C C . MET A 1 148 ? 7.433 -11.144 -9.889 1.00 62.42 148 A 1 ATOM 1168 O O . MET A 1 148 ? 6.897 -10.038 -9.870 1.00 60.33 148 A 1 ATOM 1169 C CB . MET A 1 148 ? 6.443 -13.121 -8.684 1.00 62.22 148 A 1 ATOM 1170 C CG . MET A 1 148 ? 5.397 -14.241 -8.693 1.00 58.97 148 A 1 ATOM 1171 S SD . MET A 1 148 ? 5.514 -15.376 -7.282 1.00 56.25 148 A 1 ATOM 1172 C CE . MET A 1 148 ? 4.897 -14.294 -5.988 1.00 53.39 148 A 1 ATOM 1173 N N . ASP A 1 149 ? 8.759 -11.304 -9.840 1.00 63.18 149 A 1 ATOM 1174 C CA . ASP A 1 149 ? 9.718 -10.201 -9.700 1.00 62.13 149 A 1 ATOM 1175 C C . ASP A 1 149 ? 9.780 -9.313 -10.952 1.00 60.46 149 A 1 ATOM 1176 O O . ASP A 1 149 ? 9.995 -8.105 -10.850 1.00 58.36 149 A 1 ATOM 1177 C CB . ASP A 1 149 ? 11.123 -10.764 -9.409 1.00 60.89 149 A 1 ATOM 1178 C CG . ASP A 1 149 ? 11.313 -11.335 -7.998 1.00 57.85 149 A 1 ATOM 1179 O OD1 . ASP A 1 149 ? 10.509 -11.007 -7.098 1.00 56.41 149 A 1 ATOM 1180 O OD2 . ASP A 1 149 ? 12.311 -12.074 -7.817 1.00 55.17 149 A 1 ATOM 1181 N N . ARG A 1 150 ? 9.560 -9.891 -12.137 1.00 59.29 150 A 1 ATOM 1182 C CA . ARG A 1 150 ? 9.523 -9.131 -13.400 1.00 57.92 150 A 1 ATOM 1183 C C . ARG A 1 150 ? 8.275 -8.262 -13.545 1.00 56.02 150 A 1 ATOM 1184 O O . ARG A 1 150 ? 8.292 -7.321 -14.333 1.00 52.30 150 A 1 ATOM 1185 C CB . ARG A 1 150 ? 9.670 -10.089 -14.587 1.00 55.92 150 A 1 ATOM 1186 C CG . ARG A 1 150 ? 11.120 -10.557 -14.729 1.00 52.35 150 A 1 ATOM 1187 C CD . ARG A 1 150 ? 11.220 -11.559 -15.877 1.00 51.31 150 A 1 ATOM 1188 N NE . ARG A 1 150 ? 12.597 -12.071 -16.022 1.00 49.02 150 A 1 ATOM 1189 C CZ . ARG A 1 150 ? 13.031 -12.836 -17.003 1.00 45.83 150 A 1 ATOM 1190 N NH1 . ARG A 1 150 ? 12.242 -13.215 -17.975 1.00 43.81 150 A 1 ATOM 1191 N NH2 . ARG A 1 150 ? 14.271 -13.236 -17.025 1.00 41.70 150 A 1 ATOM 1192 N N . GLY A 1 151 ? 7.215 -8.554 -12.800 1.00 52.14 151 A 1 ATOM 1193 C CA . GLY A 1 151 ? 5.990 -7.751 -12.824 1.00 49.83 151 A 1 ATOM 1194 C C . GLY A 1 151 ? 5.201 -7.805 -14.131 1.00 49.17 151 A 1 ATOM 1195 O O . GLY A 1 151 ? 4.231 -7.058 -14.270 1.00 46.07 151 A 1 ATOM 1196 N N . ASP A 1 152 ? 5.573 -8.674 -15.061 1.00 44.70 152 A 1 ATOM 1197 C CA . ASP A 1 152 ? 5.106 -8.650 -16.454 1.00 44.58 152 A 1 ATOM 1198 C C . ASP A 1 152 ? 3.602 -8.929 -16.620 1.00 44.18 152 A 1 ATOM 1199 O O . ASP A 1 152 ? 3.055 -8.675 -17.688 1.00 41.88 152 A 1 ATOM 1200 C CB . ASP A 1 152 ? 5.962 -9.612 -17.305 1.00 41.85 152 A 1 ATOM 1201 C CG . ASP A 1 152 ? 7.340 -9.048 -17.700 1.00 38.28 152 A 1 ATOM 1202 O OD1 . ASP A 1 152 ? 7.469 -7.806 -17.788 1.00 36.20 152 A 1 ATOM 1203 O OD2 . ASP A 1 152 ? 8.257 -9.867 -17.953 1.00 35.77 152 A 1 ATOM 1204 N N . THR A 1 153 ? 2.904 -9.405 -15.590 1.00 39.94 153 A 1 ATOM 1205 C CA . THR A 1 153 ? 1.449 -9.671 -15.657 1.00 40.20 153 A 1 ATOM 1206 C C . THR A 1 153 ? 0.740 -9.654 -14.299 1.00 40.15 153 A 1 ATOM 1207 O O . THR A 1 153 ? -0.234 -10.377 -14.093 1.00 38.94 153 A 1 ATOM 1208 C CB . THR A 1 153 ? 1.134 -10.985 -16.405 1.00 37.79 153 A 1 ATOM 1209 O OG1 . THR A 1 153 ? 2.069 -11.973 -16.093 1.00 34.79 153 A 1 ATOM 1210 C CG2 . THR A 1 153 ? 1.123 -10.839 -17.927 1.00 34.19 153 A 1 ATOM 1211 N N . ALA A 1 154 ? 1.155 -8.808 -13.354 1.00 36.89 154 A 1 ATOM 1212 C CA . ALA A 1 154 ? 0.434 -8.644 -12.093 1.00 37.40 154 A 1 ATOM 1213 C C . ALA A 1 154 ? -0.921 -7.942 -12.319 1.00 37.58 154 A 1 ATOM 1214 O O . ALA A 1 154 ? -1.057 -6.729 -12.172 1.00 36.34 154 A 1 ATOM 1215 C CB . ALA A 1 154 ? 1.339 -7.938 -11.077 1.00 35.30 154 A 1 ATOM 1216 N N . THR A 1 155 ? -1.939 -8.718 -12.698 1.00 34.22 155 A 1 ATOM 1217 C CA . THR A 1 155 ? -3.327 -8.253 -12.727 1.00 34.48 155 A 1 ATOM 1218 C C . THR A 1 155 ? -3.892 -8.421 -11.320 1.00 34.46 155 A 1 ATOM 1219 O O . THR A 1 155 ? -4.287 -9.510 -10.917 1.00 33.50 155 A 1 ATOM 1220 C CB . THR A 1 155 ? -4.182 -8.988 -13.772 1.00 33.08 155 A 1 ATOM 1221 O OG1 . THR A 1 155 ? -3.460 -9.184 -14.964 1.00 30.80 155 A 1 ATOM 1222 C CG2 . THR A 1 155 ? -5.416 -8.163 -14.140 1.00 30.36 155 A 1 ATOM 1223 N N . TYR A 1 156 ? -3.898 -7.346 -10.536 1.00 31.64 156 A 1 ATOM 1224 C CA . TYR A 1 156 ? -4.527 -7.344 -9.219 1.00 32.36 156 A 1 ATOM 1225 C C . TYR A 1 156 ? -6.046 -7.227 -9.411 1.00 32.32 156 A 1 ATOM 1226 O O . TYR A 1 156 ? -6.558 -6.127 -9.603 1.00 31.18 156 A 1 ATOM 1227 C CB . TYR A 1 156 ? -3.977 -6.203 -8.357 1.00 30.89 156 A 1 ATOM 1228 C CG . TYR A 1 156 ? -2.474 -6.223 -8.126 1.00 28.78 156 A 1 ATOM 1229 C CD1 . TYR A 1 156 ? -1.935 -6.827 -6.973 1.00 26.60 156 A 1 ATOM 1230 C CD2 . TYR A 1 156 ? -1.610 -5.618 -9.056 1.00 26.63 156 A 1 ATOM 1231 C CE1 . TYR A 1 156 ? -0.541 -6.816 -6.751 1.00 24.56 156 A 1 ATOM 1232 C CE2 . TYR A 1 156 ? -0.219 -5.612 -8.841 1.00 24.84 156 A 1 ATOM 1233 C CZ . TYR A 1 156 ? 0.319 -6.205 -7.685 1.00 24.03 156 A 1 ATOM 1234 O OH . TYR A 1 156 ? 1.663 -6.181 -7.480 1.00 22.99 156 A 1 ATOM 1235 N N . SER A 1 157 ? -6.756 -8.343 -9.377 1.00 30.59 157 A 1 ATOM 1236 C CA . SER A 1 157 ? -8.209 -8.376 -9.199 1.00 30.99 157 A 1 ATOM 1237 C C . SER A 1 157 ? -8.498 -8.719 -7.744 1.00 30.80 157 A 1 ATOM 1238 O O . SER A 1 157 ? -8.173 -9.821 -7.299 1.00 29.87 157 A 1 ATOM 1239 C CB . SER A 1 157 ? -8.874 -9.379 -10.154 1.00 29.89 157 A 1 ATOM 1240 O OG . SER A 1 157 ? -8.386 -10.687 -9.963 1.00 27.92 157 A 1 ATOM 1241 N N . TRP A 1 158 ? -9.078 -7.780 -7.002 1.00 28.88 158 A 1 ATOM 1242 C CA . TRP A 1 158 ? -9.671 -8.062 -5.700 1.00 29.22 158 A 1 ATOM 1243 C C . TRP A 1 158 ? -11.092 -8.571 -5.968 1.00 28.95 158 A 1 ATOM 1244 O O . TRP A 1 158 ? -11.952 -7.786 -6.349 1.00 27.55 158 A 1 ATOM 1245 C CB . TRP A 1 158 ? -9.648 -6.794 -4.844 1.00 27.76 158 A 1 ATOM 1246 C CG . TRP A 1 158 ? -8.286 -6.206 -4.583 1.00 26.18 158 A 1 ATOM 1247 C CD1 . TRP A 1 158 ? -7.641 -5.328 -5.383 1.00 23.75 158 A 1 ATOM 1248 C CD2 . TRP A 1 158 ? -7.386 -6.451 -3.454 1.00 24.11 158 A 1 ATOM 1249 N NE1 . TRP A 1 158 ? -6.406 -5.011 -4.836 1.00 22.40 158 A 1 ATOM 1250 C CE2 . TRP A 1 158 ? -6.201 -5.668 -3.641 1.00 22.75 158 A 1 ATOM 1251 C CE3 . TRP A 1 158 ? -7.455 -7.244 -2.288 1.00 23.33 158 A 1 ATOM 1252 C CZ2 . TRP A 1 158 ? -5.146 -5.670 -2.716 1.00 21.41 158 A 1 ATOM 1253 C CZ3 . TRP A 1 158 ? -6.401 -7.253 -1.356 1.00 21.95 158 A 1 ATOM 1254 C CH2 . TRP A 1 158 ? -5.247 -6.466 -1.562 1.00 21.77 158 A 1 ATOM 1255 N N . GLU A 1 159 ? -11.311 -9.856 -5.848 1.00 27.29 159 A 1 ATOM 1256 C CA . GLU A 1 159 ? -12.656 -10.426 -5.725 1.00 27.79 159 A 1 ATOM 1257 C C . GLU A 1 159 ? -12.823 -10.787 -4.253 1.00 27.59 159 A 1 ATOM 1258 O O . GLU A 1 159 ? -12.122 -11.662 -3.737 1.00 26.77 159 A 1 ATOM 1259 C CB . GLU A 1 159 ? -12.860 -11.621 -6.681 1.00 26.78 159 A 1 ATOM 1260 C CG . GLU A 1 159 ? -13.127 -11.138 -8.124 1.00 24.51 159 A 1 ATOM 1261 C CD . GLU A 1 159 ? -13.280 -12.262 -9.168 1.00 23.22 159 A 1 ATOM 1262 O OE1 . GLU A 1 159 ? -13.754 -11.944 -10.284 1.00 21.33 159 A 1 ATOM 1263 O OE2 . GLU A 1 159 ? -12.821 -13.399 -8.918 1.00 22.39 159 A 1 ATOM 1264 N N . PHE A 1 160 ? -13.680 -10.046 -3.571 1.00 26.00 160 A 1 ATOM 1265 C CA . PHE A 1 160 ? -14.240 -10.471 -2.298 1.00 26.02 160 A 1 ATOM 1266 C C . PHE A 1 160 ? -15.425 -11.371 -2.643 1.00 25.83 160 A 1 ATOM 1267 O O . PHE A 1 160 ? -16.296 -10.949 -3.404 1.00 24.63 160 A 1 ATOM 1268 C CB . PHE A 1 160 ? -14.649 -9.252 -1.461 1.00 24.44 160 A 1 ATOM 1269 C CG . PHE A 1 160 ? -13.478 -8.398 -0.993 1.00 22.76 160 A 1 ATOM 1270 C CD1 . PHE A 1 160 ? -12.791 -8.735 0.188 1.00 20.88 160 A 1 ATOM 1271 C CD2 . PHE A 1 160 ? -13.066 -7.276 -1.739 1.00 21.14 160 A 1 ATOM 1272 C CE1 . PHE A 1 160 ? -11.700 -7.951 0.623 1.00 19.93 160 A 1 ATOM 1273 C CE2 . PHE A 1 160 ? -11.974 -6.497 -1.305 1.00 20.57 160 A 1 ATOM 1274 C CZ . PHE A 1 160 ? -11.292 -6.833 -0.122 1.00 20.94 160 A 1 ATOM 1275 N N . ASP A 1 161 ? -15.429 -12.598 -2.142 1.00 26.19 161 A 1 ATOM 1276 C CA . ASP A 1 161 ? -16.638 -13.418 -2.177 1.00 27.69 161 A 1 ATOM 1277 C C . ASP A 1 161 ? -17.701 -12.740 -1.296 1.00 27.12 161 A 1 ATOM 1278 O O . ASP A 1 161 ? -17.397 -12.327 -0.175 1.00 26.08 161 A 1 ATOM 1279 C CB . ASP A 1 161 ? -16.343 -14.862 -1.725 1.00 26.51 161 A 1 ATOM 1280 C CG . ASP A 1 161 ? -15.607 -15.728 -2.768 1.00 24.60 161 A 1 ATOM 1281 O OD1 . ASP A 1 161 ? -15.826 -15.537 -3.984 1.00 23.20 161 A 1 ATOM 1282 O OD2 . ASP A 1 161 ? -14.855 -16.641 -2.337 1.00 23.09 161 A 1 ATOM 1283 N N . ASP A 1 162 ? -18.922 -12.580 -1.838 1.00 23.60 162 A 1 ATOM 1284 C CA . ASP A 1 162 ? -20.114 -12.068 -1.148 1.00 26.78 162 A 1 ATOM 1285 C C . ASP A 1 162 ? -20.566 -12.971 0.029 1.00 25.17 162 A 1 ATOM 1286 O O . ASP A 1 162 ? -20.503 -14.212 -0.110 1.00 22.72 162 A 1 ATOM 1287 C CB . ASP A 1 162 ? -21.285 -11.916 -2.148 1.00 25.29 162 A 1 ATOM 1288 C CG . ASP A 1 162 ? -21.303 -10.667 -3.053 1.00 23.08 162 A 1 ATOM 1289 O OD1 . ASP A 1 162 ? -20.874 -9.574 -2.620 1.00 21.03 162 A 1 ATOM 1290 O OD2 . ASP A 1 162 ? -21.878 -10.777 -4.173 1.00 20.09 162 A 1 ATOM 1291 O OXT . ASP A 1 162 ? -21.001 -12.389 1.051 1.00 20.83 162 A 1 #