# 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_tad5 # _entry.id tad5 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n LYS 2 1 n ARG 3 1 n LEU 4 1 n LEU 5 1 n THR 6 1 n LEU 7 1 n ARG 8 1 n ASN 9 1 n MET 10 1 n ILE 11 1 n LYS 12 1 n SER 13 1 n THR 14 1 n THR 15 1 n GLY 16 1 n VAL 17 1 n ILE 18 1 n THR 19 1 n VAL 20 1 n MET 21 1 n ALA 22 1 n PRO 23 1 n GLY 24 1 n TYR 25 1 n LYS 26 1 n PRO 27 1 n ARG 28 1 n ASN 29 1 n ILE 30 1 n GLN 31 1 n ALA 32 1 n ILE 33 1 n VAL 34 1 n GLU 35 1 n TYR 36 1 n ILE 37 1 n ILE 38 1 n LYS 39 1 n TYR 40 1 n PHE 41 1 n ASN 42 1 n GLU 43 1 n ASN 44 1 n CYS 45 1 n SER 46 1 n ASP 47 1 n GLN 48 1 n GLU 49 1 n GLY 50 1 n TYR 51 1 n TRP 52 1 n LYS 53 1 n SER 54 1 n ASN 55 1 n LYS 56 1 n SER 57 1 n VAL 58 1 n MET 59 1 n PHE 60 1 n TYR 61 1 n ILE 62 1 n ASP 63 1 n SER 64 1 n ASP 65 1 n ASN 66 1 n ILE 67 1 n TYR 68 1 n ASP 69 1 n PHE 70 1 n VAL 71 1 n ASP 72 1 n LYS 73 1 n MET 74 1 n LEU 75 1 n LYS 76 1 n GLY 77 1 n CYS 78 1 n LYS 79 1 n GLU 80 1 n PHE 81 1 n ASN 82 1 n GLU 83 1 n LEU 84 1 n ASN 85 1 n LEU 86 1 n SER 87 1 n GLN 88 1 n TYR 89 1 n GLU 90 1 n VAL 91 1 n ASP 92 1 n ARG 93 1 n GLY 94 1 n ILE 95 1 n THR 96 1 n VAL 97 1 n ASP 98 1 n ASP 99 1 n SER 100 1 n SER 101 1 n ARG 102 1 n PRO 103 1 n ALA 104 1 n TRP 105 1 n VAL 106 1 n ILE 107 1 n GLY 108 1 n GLY 109 1 n THR 110 1 n SER 111 1 n THR 112 1 n GLY 113 1 n ASP 114 1 n HIS 115 1 n LEU 116 1 n LYS 117 1 n GLU 118 1 n TYR 119 1 n TYR 120 1 n ASP 121 1 n PHE 122 1 n ILE 123 1 n ASP 124 1 n ILE 125 1 n ASP 126 1 n ALA 127 1 n CYS 128 1 n VAL 129 1 n ARG 130 1 n ASN 131 1 n ILE 132 1 n SER 133 1 n GLY 134 1 n GLU 135 1 n LEU 136 1 n TYR 137 1 n TRP 138 1 n GLY 139 1 n PHE 140 1 n LEU 141 1 n ASP 142 1 n ASN 143 1 n ASP 144 1 n LEU 145 1 n TYR 146 1 n GLU 147 1 n GLY 148 1 n LYS 149 1 n VAL 150 1 n GLU 151 1 n ILE 152 1 n VAL 153 1 n ASN 154 1 n ILE 155 1 n SER 156 1 n GLU 157 1 n ALA 158 1 n ALA 159 1 n GLU 160 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:10:41)" _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 75.13 _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 63.56 1 1 A LYS 2 2 66.67 1 2 A ARG 3 2 65.80 1 3 A LEU 4 2 70.44 1 4 A LEU 5 2 80.14 1 5 A THR 6 2 78.74 1 6 A LEU 7 2 82.83 1 7 A ARG 8 2 68.98 1 8 A ASN 9 2 82.25 1 9 A MET 10 2 90.35 1 10 A ILE 11 2 92.64 1 11 A LYS 12 2 85.21 1 12 A SER 13 2 93.50 1 13 A THR 14 2 97.31 1 14 A THR 15 2 97.12 1 15 A GLY 16 2 97.81 1 16 A VAL 17 2 97.42 1 17 A ILE 18 2 97.88 1 18 A THR 19 2 97.27 1 19 A VAL 20 2 93.66 1 20 A MET 21 2 94.37 1 21 A ALA 22 2 94.72 1 22 A PRO 23 2 92.24 1 23 A GLY 24 2 91.42 1 24 A TYR 25 2 89.93 1 25 A LYS 26 2 89.17 1 26 A PRO 27 2 95.46 1 27 A ARG 28 2 88.55 1 28 A ASN 29 2 90.58 1 29 A ILE 30 2 95.46 1 30 A GLN 31 2 93.03 1 31 A ALA 32 2 98.09 1 32 A ILE 33 2 98.08 1 33 A VAL 34 2 96.62 1 34 A GLU 35 2 92.66 1 35 A TYR 36 2 95.72 1 36 A ILE 37 2 93.33 1 37 A ILE 38 2 88.04 1 38 A LYS 39 2 85.34 1 39 A TYR 40 2 87.42 1 40 A PHE 41 2 82.86 1 41 A ASN 42 2 75.73 1 42 A GLU 43 2 76.46 1 43 A ASN 44 2 76.22 1 44 A CYS 45 2 66.70 1 45 A SER 46 2 54.90 1 46 A ASP 47 2 49.28 1 47 A GLN 48 2 40.25 1 48 A GLU 49 2 44.56 1 49 A GLY 50 2 46.90 1 50 A TYR 51 2 37.08 1 51 A TRP 52 2 35.16 1 52 A LYS 53 2 40.38 1 53 A SER 54 2 45.62 1 54 A ASN 55 2 43.52 1 55 A LYS 56 2 42.08 1 56 A SER 57 2 52.76 1 57 A VAL 58 2 62.72 1 58 A MET 59 2 63.23 1 59 A PHE 60 2 70.38 1 60 A TYR 61 2 62.21 1 61 A ILE 62 2 73.58 1 62 A ASP 63 2 72.06 1 63 A SER 64 2 71.10 1 64 A ASP 65 2 71.83 1 65 A ASN 66 2 76.27 1 66 A ILE 67 2 82.14 1 67 A TYR 68 2 90.30 1 68 A ASP 69 2 88.22 1 69 A PHE 70 2 88.08 1 70 A VAL 71 2 93.64 1 71 A ASP 72 2 93.07 1 72 A LYS 73 2 83.21 1 73 A MET 74 2 90.93 1 74 A LEU 75 2 96.21 1 75 A LYS 76 2 93.83 1 76 A GLY 77 2 96.22 1 77 A CYS 78 2 97.62 1 78 A LYS 79 2 91.97 1 79 A GLU 80 2 95.30 1 80 A PHE 81 2 97.89 1 81 A ASN 82 2 95.04 1 82 A GLU 83 2 94.10 1 83 A LEU 84 2 96.43 1 84 A ASN 85 2 91.34 1 85 A LEU 86 2 94.34 1 86 A SER 87 2 92.46 1 87 A GLN 88 2 91.33 1 88 A TYR 89 2 89.08 1 89 A GLU 90 2 91.57 1 90 A VAL 91 2 94.66 1 91 A ASP 92 2 94.48 1 92 A ARG 93 2 86.82 1 93 A GLY 94 2 95.20 1 94 A ILE 95 2 93.15 1 95 A THR 96 2 93.49 1 96 A VAL 97 2 90.52 1 97 A ASP 98 2 89.18 1 98 A ASP 99 2 90.29 1 99 A SER 100 2 88.34 1 100 A SER 101 2 85.62 1 101 A ARG 102 2 84.87 1 102 A PRO 103 2 79.38 1 103 A ALA 104 2 73.47 1 104 A TRP 105 2 57.96 1 105 A VAL 106 2 65.68 1 106 A ILE 107 2 57.98 1 107 A GLY 108 2 57.82 1 108 A GLY 109 2 52.97 1 109 A THR 110 2 46.22 1 110 A SER 111 2 42.06 1 111 A THR 112 2 47.11 1 112 A GLY 113 2 50.53 1 113 A ASP 114 2 49.01 1 114 A HIS 115 2 51.48 1 115 A LEU 116 2 60.25 1 116 A LYS 117 2 65.58 1 117 A GLU 118 2 78.73 1 118 A TYR 119 2 87.68 1 119 A TYR 120 2 84.40 1 120 A ASP 121 2 87.99 1 121 A PHE 122 2 89.42 1 122 A ILE 123 2 94.35 1 123 A ASP 124 2 92.53 1 124 A ILE 125 2 91.47 1 125 A ASP 126 2 91.61 1 126 A ALA 127 2 95.87 1 127 A CYS 128 2 97.08 1 128 A VAL 129 2 96.60 1 129 A ARG 130 2 83.54 1 130 A ASN 131 2 95.06 1 131 A ILE 132 2 96.39 1 132 A SER 133 2 92.64 1 133 A GLY 134 2 92.56 1 134 A GLU 135 2 85.14 1 135 A LEU 136 2 87.84 1 136 A TYR 137 2 72.29 1 137 A TRP 138 2 70.85 1 138 A GLY 139 2 76.02 1 139 A PHE 140 2 67.34 1 140 A LEU 141 2 64.05 1 141 A ASP 142 2 56.75 1 142 A ASN 143 2 55.71 1 143 A ASP 144 2 49.89 1 144 A LEU 145 2 39.17 1 145 A TYR 146 2 35.20 1 146 A GLU 147 2 41.84 1 147 A GLY 148 2 38.37 1 148 A LYS 149 2 32.14 1 149 A VAL 150 2 34.33 1 150 A GLU 151 2 30.97 1 151 A ILE 152 2 33.37 1 152 A VAL 153 2 32.84 1 153 A ASN 154 2 33.10 1 154 A ILE 155 2 35.04 1 155 A SER 156 2 38.37 1 156 A GLU 157 2 36.35 1 157 A ALA 158 2 38.00 1 158 A ALA 159 2 39.28 1 159 A GLU 160 2 36.86 1 160 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n LYS . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n ASN . 9 A 9 A 10 1 n MET . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n MET . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n PRO . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n TYR . 25 A 25 A 26 1 n LYS . 26 A 26 A 27 1 n PRO . 27 A 27 A 28 1 n ARG . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n ILE . 30 A 30 A 31 1 n GLN . 31 A 31 A 32 1 n ALA . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n VAL . 34 A 34 A 35 1 n GLU . 35 A 35 A 36 1 n TYR . 36 A 36 A 37 1 n ILE . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n LYS . 39 A 39 A 40 1 n TYR . 40 A 40 A 41 1 n PHE . 41 A 41 A 42 1 n ASN . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n ASN . 44 A 44 A 45 1 n CYS . 45 A 45 A 46 1 n SER . 46 A 46 A 47 1 n ASP . 47 A 47 A 48 1 n GLN . 48 A 48 A 49 1 n GLU . 49 A 49 A 50 1 n GLY . 50 A 50 A 51 1 n TYR . 51 A 51 A 52 1 n TRP . 52 A 52 A 53 1 n LYS . 53 A 53 A 54 1 n SER . 54 A 54 A 55 1 n ASN . 55 A 55 A 56 1 n LYS . 56 A 56 A 57 1 n SER . 57 A 57 A 58 1 n VAL . 58 A 58 A 59 1 n MET . 59 A 59 A 60 1 n PHE . 60 A 60 A 61 1 n TYR . 61 A 61 A 62 1 n ILE . 62 A 62 A 63 1 n ASP . 63 A 63 A 64 1 n SER . 64 A 64 A 65 1 n ASP . 65 A 65 A 66 1 n ASN . 66 A 66 A 67 1 n ILE . 67 A 67 A 68 1 n TYR . 68 A 68 A 69 1 n ASP . 69 A 69 A 70 1 n PHE . 70 A 70 A 71 1 n VAL . 71 A 71 A 72 1 n ASP . 72 A 72 A 73 1 n LYS . 73 A 73 A 74 1 n MET . 74 A 74 A 75 1 n LEU . 75 A 75 A 76 1 n LYS . 76 A 76 A 77 1 n GLY . 77 A 77 A 78 1 n CYS . 78 A 78 A 79 1 n LYS . 79 A 79 A 80 1 n GLU . 80 A 80 A 81 1 n PHE . 81 A 81 A 82 1 n ASN . 82 A 82 A 83 1 n GLU . 83 A 83 A 84 1 n LEU . 84 A 84 A 85 1 n ASN . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n SER . 87 A 87 A 88 1 n GLN . 88 A 88 A 89 1 n TYR . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n VAL . 91 A 91 A 92 1 n ASP . 92 A 92 A 93 1 n ARG . 93 A 93 A 94 1 n GLY . 94 A 94 A 95 1 n ILE . 95 A 95 A 96 1 n THR . 96 A 96 A 97 1 n VAL . 97 A 97 A 98 1 n ASP . 98 A 98 A 99 1 n ASP . 99 A 99 A 100 1 n SER . 100 A 100 A 101 1 n SER . 101 A 101 A 102 1 n ARG . 102 A 102 A 103 1 n PRO . 103 A 103 A 104 1 n ALA . 104 A 104 A 105 1 n TRP . 105 A 105 A 106 1 n VAL . 106 A 106 A 107 1 n ILE . 107 A 107 A 108 1 n GLY . 108 A 108 A 109 1 n GLY . 109 A 109 A 110 1 n THR . 110 A 110 A 111 1 n SER . 111 A 111 A 112 1 n THR . 112 A 112 A 113 1 n GLY . 113 A 113 A 114 1 n ASP . 114 A 114 A 115 1 n HIS . 115 A 115 A 116 1 n LEU . 116 A 116 A 117 1 n LYS . 117 A 117 A 118 1 n GLU . 118 A 118 A 119 1 n TYR . 119 A 119 A 120 1 n TYR . 120 A 120 A 121 1 n ASP . 121 A 121 A 122 1 n PHE . 122 A 122 A 123 1 n ILE . 123 A 123 A 124 1 n ASP . 124 A 124 A 125 1 n ILE . 125 A 125 A 126 1 n ASP . 126 A 126 A 127 1 n ALA . 127 A 127 A 128 1 n CYS . 128 A 128 A 129 1 n VAL . 129 A 129 A 130 1 n ARG . 130 A 130 A 131 1 n ASN . 131 A 131 A 132 1 n ILE . 132 A 132 A 133 1 n SER . 133 A 133 A 134 1 n GLY . 134 A 134 A 135 1 n GLU . 135 A 135 A 136 1 n LEU . 136 A 136 A 137 1 n TYR . 137 A 137 A 138 1 n TRP . 138 A 138 A 139 1 n GLY . 139 A 139 A 140 1 n PHE . 140 A 140 A 141 1 n LEU . 141 A 141 A 142 1 n ASP . 142 A 142 A 143 1 n ASN . 143 A 143 A 144 1 n ASP . 144 A 144 A 145 1 n LEU . 145 A 145 A 146 1 n TYR . 146 A 146 A 147 1 n GLU . 147 A 147 A 148 1 n GLY . 148 A 148 A 149 1 n LYS . 149 A 149 A 150 1 n VAL . 150 A 150 A 151 1 n GLU . 151 A 151 A 152 1 n ILE . 152 A 152 A 153 1 n VAL . 153 A 153 A 154 1 n ASN . 154 A 154 A 155 1 n ILE . 155 A 155 A 156 1 n SER . 156 A 156 A 157 1 n GLU . 157 A 157 A 158 1 n ALA . 158 A 158 A 159 1 n ALA . 159 A 159 A 160 1 n GLU . 160 A 160 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -6.538 -16.435 9.857 1.00 65.79 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.004 -16.431 9.629 1.00 70.48 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.303 -15.490 8.475 1.00 72.50 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.767 -14.382 8.487 1.00 68.52 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.730 -15.995 10.905 1.00 65.86 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.258 -15.904 10.758 1.00 58.30 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.066 -15.453 12.314 1.00 56.03 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.771 -15.195 11.757 1.00 51.04 1 A 1 ATOM 9 N N . LYS A 1 2 ? -9.107 -15.885 7.486 1.00 73.50 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -9.454 -14.981 6.376 1.00 72.96 2 A 1 ATOM 11 C C . LYS A 1 2 ? -10.274 -13.791 6.881 1.00 73.33 2 A 1 ATOM 12 O O . LYS A 1 2 ? -11.162 -13.957 7.710 1.00 71.11 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -10.198 -15.709 5.251 1.00 69.76 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -9.310 -16.658 4.421 1.00 64.83 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -10.142 -17.189 3.237 1.00 62.96 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -9.374 -18.108 2.285 1.00 58.28 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -10.252 -18.520 1.148 1.00 53.32 2 A 1 ATOM 18 N N . ARG A 1 3 ? -9.967 -12.617 6.372 1.00 76.23 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -10.629 -11.332 6.627 1.00 75.06 3 A 1 ATOM 20 C C . ARG A 1 3 ? -11.004 -10.671 5.311 1.00 76.68 3 A 1 ATOM 21 O O . ARG A 1 3 ? -10.345 -10.882 4.286 1.00 75.03 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -9.702 -10.408 7.433 1.00 72.64 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -9.467 -10.860 8.885 1.00 67.46 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -10.754 -10.715 9.726 1.00 64.43 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -10.518 -11.109 11.120 1.00 60.78 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -10.505 -12.328 11.599 1.00 54.41 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -10.705 -13.361 10.843 1.00 51.57 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -10.279 -12.524 12.862 1.00 49.52 3 A 1 ATOM 29 N N . LEU A 1 4 ? -12.049 -9.855 5.365 1.00 75.71 4 A 1 ATOM 30 C CA . LEU A 1 4 ? -12.527 -9.105 4.216 1.00 75.32 4 A 1 ATOM 31 C C . LEU A 1 4 ? -11.799 -7.761 4.118 1.00 77.22 4 A 1 ATOM 32 O O . LEU A 1 4 ? -12.060 -6.847 4.904 1.00 76.67 4 A 1 ATOM 33 C CB . LEU A 1 4 ? -14.051 -8.938 4.356 1.00 71.97 4 A 1 ATOM 34 C CG . LEU A 1 4 ? -14.691 -8.373 3.084 1.00 65.67 4 A 1 ATOM 35 C CD1 . LEU A 1 4 ? -14.579 -9.401 1.958 1.00 61.24 4 A 1 ATOM 36 C CD2 . LEU A 1 4 ? -16.167 -8.062 3.329 1.00 59.70 4 A 1 ATOM 37 N N . LEU A 1 5 ? -10.913 -7.619 3.133 1.00 78.38 5 A 1 ATOM 38 C CA . LEU A 1 5 ? -10.295 -6.337 2.806 1.00 79.65 5 A 1 ATOM 39 C C . LEU A 1 5 ? -11.107 -5.650 1.706 1.00 79.19 5 A 1 ATOM 40 O O . LEU A 1 5 ? -11.074 -6.055 0.547 1.00 79.09 5 A 1 ATOM 41 C CB . LEU A 1 5 ? -8.827 -6.547 2.408 1.00 81.29 5 A 1 ATOM 42 C CG . LEU A 1 5 ? -8.121 -5.241 1.997 1.00 82.26 5 A 1 ATOM 43 C CD1 . LEU A 1 5 ? -8.093 -4.216 3.133 1.00 80.52 5 A 1 ATOM 44 C CD2 . LEU A 1 5 ? -6.685 -5.524 1.576 1.00 80.76 5 A 1 ATOM 45 N N . THR A 1 6 ? -11.817 -4.587 2.065 1.00 80.32 6 A 1 ATOM 46 C CA . THR A 1 6 ? -12.585 -3.784 1.104 1.00 80.03 6 A 1 ATOM 47 C C . THR A 1 6 ? -11.716 -2.706 0.462 1.00 82.61 6 A 1 ATOM 48 O O . THR A 1 6 ? -10.806 -2.163 1.095 1.00 83.19 6 A 1 ATOM 49 C CB . THR A 1 6 ? -13.836 -3.157 1.733 1.00 77.55 6 A 1 ATOM 50 O OG1 . THR A 1 6 ? -13.505 -2.126 2.633 1.00 74.11 6 A 1 ATOM 51 C CG2 . THR A 1 6 ? -14.705 -4.170 2.486 1.00 73.40 6 A 1 ATOM 52 N N . LEU A 1 7 ? -12.079 -2.301 -0.765 1.00 80.93 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -11.472 -1.149 -1.439 1.00 82.46 7 A 1 ATOM 54 C C . LEU A 1 7 ? -11.512 0.114 -0.565 1.00 83.75 7 A 1 ATOM 55 O O . LEU A 1 7 ? -10.536 0.857 -0.492 1.00 84.51 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -12.213 -0.926 -2.772 1.00 83.17 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -11.753 0.321 -3.553 1.00 83.35 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -10.282 0.242 -3.956 1.00 82.33 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -12.592 0.480 -4.820 1.00 82.13 7 A 1 ATOM 60 N N . ARG A 1 8 ? -12.622 0.338 0.148 1.00 82.93 8 A 1 ATOM 61 C CA . ARG A 1 8 ? -12.775 1.484 1.055 1.00 83.00 8 A 1 ATOM 62 C C . ARG A 1 8 ? -11.728 1.472 2.168 1.00 86.01 8 A 1 ATOM 63 O O . ARG A 1 8 ? -11.119 2.507 2.420 1.00 86.43 8 A 1 ATOM 64 C CB . ARG A 1 8 ? -14.198 1.497 1.633 1.00 79.86 8 A 1 ATOM 65 C CG . ARG A 1 8 ? -14.417 2.689 2.587 1.00 69.37 8 A 1 ATOM 66 C CD . ARG A 1 8 ? -15.800 2.669 3.231 1.00 64.55 8 A 1 ATOM 67 N NE . ARG A 1 8 ? -16.875 2.906 2.253 1.00 58.68 8 A 1 ATOM 68 C CZ . ARG A 1 8 ? -18.135 3.195 2.538 1.00 51.77 8 A 1 ATOM 69 N NH1 . ARG A 1 8 ? -18.563 3.292 3.769 1.00 49.18 8 A 1 ATOM 70 N NH2 . ARG A 1 8 ? -18.999 3.393 1.582 1.00 46.99 8 A 1 ATOM 71 N N . ASN A 1 9 ? -11.532 0.328 2.825 1.00 85.96 9 A 1 ATOM 72 C CA . ASN A 1 9 ? -10.554 0.212 3.904 1.00 86.34 9 A 1 ATOM 73 C C . ASN A 1 9 ? -9.138 0.418 3.371 1.00 89.59 9 A 1 ATOM 74 O O . ASN A 1 9 ? -8.383 1.193 3.953 1.00 90.04 9 A 1 ATOM 75 C CB . ASN A 1 9 ? -10.717 -1.145 4.610 1.00 83.70 9 A 1 ATOM 76 C CG . ASN A 1 9 ? -11.983 -1.243 5.447 1.00 78.64 9 A 1 ATOM 77 O OD1 . ASN A 1 9 ? -12.750 -0.302 5.596 1.00 73.17 9 A 1 ATOM 78 N ND2 . ASN A 1 9 ? -12.257 -2.401 6.002 1.00 70.57 9 A 1 ATOM 79 N N . MET A 1 10 ? -8.820 -0.183 2.218 1.00 88.90 10 A 1 ATOM 80 C CA . MET A 1 10 ? -7.509 -0.030 1.593 1.00 90.75 10 A 1 ATOM 81 C C . MET A 1 10 ? -7.212 1.431 1.239 1.00 92.38 10 A 1 ATOM 82 O O . MET A 1 10 ? -6.149 1.940 1.591 1.00 92.90 10 A 1 ATOM 83 C CB . MET A 1 10 ? -7.435 -0.934 0.355 1.00 91.34 10 A 1 ATOM 84 C CG . MET A 1 10 ? -6.004 -1.005 -0.189 1.00 89.58 10 A 1 ATOM 85 S SD . MET A 1 10 ? -4.848 -1.817 0.944 1.00 89.79 10 A 1 ATOM 86 C CE . MET A 1 10 ? -3.400 -0.764 0.751 1.00 87.19 10 A 1 ATOM 87 N N . ILE A 1 11 ? -8.157 2.140 0.590 1.00 92.05 11 A 1 ATOM 88 C CA . ILE A 1 11 ? -7.990 3.565 0.257 1.00 93.20 11 A 1 ATOM 89 C C . ILE A 1 11 ? -7.842 4.395 1.530 1.00 94.75 11 A 1 ATOM 90 O O . ILE A 1 11 ? -6.917 5.194 1.623 1.00 95.22 11 A 1 ATOM 91 C CB . ILE A 1 11 ? -9.150 4.071 -0.630 1.00 92.90 11 A 1 ATOM 92 C CG1 . ILE A 1 11 ? -9.024 3.447 -2.040 1.00 91.89 11 A 1 ATOM 93 C CG2 . ILE A 1 11 ? -9.158 5.614 -0.733 1.00 92.38 11 A 1 ATOM 94 C CD1 . ILE A 1 11 ? -10.223 3.732 -2.950 1.00 88.70 11 A 1 ATOM 95 N N . LYS A 1 12 ? -8.720 4.198 2.523 1.00 92.51 12 A 1 ATOM 96 C CA . LYS A 1 12 ? -8.689 4.951 3.781 1.00 92.71 12 A 1 ATOM 97 C C . LYS A 1 12 ? -7.333 4.822 4.476 1.00 94.71 12 A 1 ATOM 98 O O . LYS A 1 12 ? -6.721 5.838 4.783 1.00 95.21 12 A 1 ATOM 99 C CB . LYS A 1 12 ? -9.837 4.482 4.693 1.00 90.49 12 A 1 ATOM 100 C CG . LYS A 1 12 ? -9.865 5.253 6.024 1.00 83.28 12 A 1 ATOM 101 C CD . LYS A 1 12 ? -10.790 4.583 7.043 1.00 81.09 12 A 1 ATOM 102 C CE . LYS A 1 12 ? -10.579 5.256 8.407 1.00 71.02 12 A 1 ATOM 103 N NZ . LYS A 1 12 ? -11.095 4.427 9.527 1.00 65.90 12 A 1 ATOM 104 N N . SER A 1 13 ? -6.871 3.602 4.686 1.00 93.93 13 A 1 ATOM 105 C CA . SER A 1 13 ? -5.607 3.353 5.383 1.00 94.69 13 A 1 ATOM 106 C C . SER A 1 13 ? -4.409 3.853 4.586 1.00 96.31 13 A 1 ATOM 107 O O . SER A 1 13 ? -3.557 4.549 5.129 1.00 96.70 13 A 1 ATOM 108 C CB . SER A 1 13 ? -5.469 1.864 5.711 1.00 93.59 13 A 1 ATOM 109 O OG . SER A 1 13 ? -6.508 1.507 6.607 1.00 85.76 13 A 1 ATOM 110 N N . THR A 1 14 ? -4.383 3.608 3.275 1.00 96.96 14 A 1 ATOM 111 C CA . THR A 1 14 ? -3.269 4.059 2.429 1.00 97.78 14 A 1 ATOM 112 C C . THR A 1 14 ? -3.177 5.580 2.391 1.00 98.22 14 A 1 ATOM 113 O O . THR A 1 14 ? -2.114 6.138 2.641 1.00 98.26 14 A 1 ATOM 114 C CB . THR A 1 14 ? -3.390 3.517 1.000 1.00 97.71 14 A 1 ATOM 115 O OG1 . THR A 1 14 ? -3.482 2.117 1.022 1.00 96.16 14 A 1 ATOM 116 C CG2 . THR A 1 14 ? -2.174 3.855 0.139 1.00 96.09 14 A 1 ATOM 117 N N . THR A 1 15 ? -4.281 6.280 2.108 1.00 98.22 15 A 1 ATOM 118 C CA . THR A 1 15 ? -4.264 7.744 2.002 1.00 98.35 15 A 1 ATOM 119 C C . THR A 1 15 ? -4.019 8.415 3.346 1.00 98.49 15 A 1 ATOM 120 O O . THR A 1 15 ? -3.286 9.400 3.400 1.00 98.24 15 A 1 ATOM 121 C CB . THR A 1 15 ? -5.549 8.305 1.379 1.00 97.98 15 A 1 ATOM 122 O OG1 . THR A 1 15 ? -6.698 7.941 2.104 1.00 94.81 15 A 1 ATOM 123 C CG2 . THR A 1 15 ? -5.746 7.838 -0.061 1.00 93.74 15 A 1 ATOM 124 N N . GLY A 1 16 ? -4.582 7.872 4.429 1.00 97.90 16 A 1 ATOM 125 C CA . GLY A 1 16 ? -4.368 8.366 5.786 1.00 97.69 16 A 1 ATOM 126 C C . GLY A 1 16 ? -2.901 8.277 6.194 1.00 97.99 16 A 1 ATOM 127 O O . GLY A 1 16 ? -2.291 9.301 6.512 1.00 97.66 16 A 1 ATOM 128 N N . VAL A 1 17 ? -2.312 7.088 6.091 1.00 97.71 17 A 1 ATOM 129 C CA . VAL A 1 17 ? -0.910 6.847 6.467 1.00 97.71 17 A 1 ATOM 130 C C . VAL A 1 17 ? 0.049 7.650 5.592 1.00 97.80 17 A 1 ATOM 131 O O . VAL A 1 17 ? 0.910 8.346 6.127 1.00 97.54 17 A 1 ATOM 132 C CB . VAL A 1 17 ? -0.578 5.347 6.430 1.00 97.53 17 A 1 ATOM 133 C CG1 . VAL A 1 17 ? 0.922 5.080 6.617 1.00 96.90 17 A 1 ATOM 134 C CG2 . VAL A 1 17 ? -1.319 4.610 7.556 1.00 96.76 17 A 1 ATOM 135 N N . ILE A 1 18 ? -0.121 7.629 4.268 1.00 98.07 18 A 1 ATOM 136 C CA . ILE A 1 18 ? 0.733 8.421 3.370 1.00 98.08 18 A 1 ATOM 137 C C . ILE A 1 18 ? 0.653 9.908 3.718 1.00 97.66 18 A 1 ATOM 138 O O . ILE A 1 18 ? 1.680 10.577 3.762 1.00 97.09 18 A 1 ATOM 139 C CB . ILE A 1 18 ? 0.369 8.162 1.893 1.00 98.23 18 A 1 ATOM 140 C CG1 . ILE A 1 18 ? 0.803 6.739 1.468 1.00 98.11 18 A 1 ATOM 141 C CG2 . ILE A 1 18 ? 1.033 9.196 0.962 1.00 97.96 18 A 1 ATOM 142 C CD1 . ILE A 1 18 ? 0.314 6.336 0.073 1.00 97.81 18 A 1 ATOM 143 N N . THR A 1 19 ? -0.549 10.439 3.994 1.00 98.09 19 A 1 ATOM 144 C CA . THR A 1 19 ? -0.720 11.865 4.308 1.00 97.88 19 A 1 ATOM 145 C C . THR A 1 19 ? 0.011 12.248 5.591 1.00 97.51 19 A 1 ATOM 146 O O . THR A 1 19 ? 0.694 13.263 5.605 1.00 96.68 19 A 1 ATOM 147 C CB . THR A 1 19 ? -2.199 12.249 4.404 1.00 97.76 19 A 1 ATOM 148 O OG1 . THR A 1 19 ? -2.821 12.006 3.165 1.00 96.67 19 A 1 ATOM 149 C CG2 . THR A 1 19 ? -2.413 13.735 4.713 1.00 96.30 19 A 1 ATOM 150 N N . VAL A 1 20 ? -0.087 11.444 6.651 1.00 96.84 20 A 1 ATOM 151 C CA . VAL A 1 20 ? 0.581 11.763 7.928 1.00 95.62 20 A 1 ATOM 152 C C . VAL A 1 20 ? 2.093 11.543 7.894 1.00 94.84 20 A 1 ATOM 153 O O . VAL A 1 20 ? 2.805 12.173 8.667 1.00 93.58 20 A 1 ATOM 154 C CB . VAL A 1 20 ? -0.044 11.026 9.126 1.00 94.97 20 A 1 ATOM 155 C CG1 . VAL A 1 20 ? -1.530 11.389 9.273 1.00 90.19 20 A 1 ATOM 156 C CG2 . VAL A 1 20 ? 0.096 9.504 9.050 1.00 89.55 20 A 1 ATOM 157 N N . MET A 1 21 ? 2.585 10.679 7.004 1.00 95.75 21 A 1 ATOM 158 C CA . MET A 1 21 ? 4.019 10.447 6.815 1.00 94.78 21 A 1 ATOM 159 C C . MET A 1 21 ? 4.662 11.420 5.826 1.00 94.13 21 A 1 ATOM 160 O O . MET A 1 21 ? 5.880 11.573 5.838 1.00 93.29 21 A 1 ATOM 161 C CB . MET A 1 21 ? 4.255 9.005 6.348 1.00 95.28 21 A 1 ATOM 162 C CG . MET A 1 21 ? 3.963 7.983 7.450 1.00 94.85 21 A 1 ATOM 163 S SD . MET A 1 21 ? 4.330 6.261 7.006 1.00 94.31 21 A 1 ATOM 164 C CE . MET A 1 21 ? 6.145 6.321 6.893 1.00 92.56 21 A 1 ATOM 165 N N . ALA A 1 22 ? 3.878 12.055 4.955 1.00 95.33 22 A 1 ATOM 166 C CA . ALA A 1 22 ? 4.418 12.944 3.939 1.00 94.95 22 A 1 ATOM 167 C C . ALA A 1 22 ? 5.002 14.224 4.561 1.00 94.15 22 A 1 ATOM 168 O O . ALA A 1 22 ? 4.382 14.813 5.452 1.00 93.59 22 A 1 ATOM 169 C CB . ALA A 1 22 ? 3.331 13.274 2.914 1.00 95.59 22 A 1 ATOM 170 N N . PRO A 1 23 ? 6.136 14.725 4.042 1.00 93.98 23 A 1 ATOM 171 C CA . PRO A 1 23 ? 6.667 16.023 4.427 1.00 92.75 23 A 1 ATOM 172 C C . PRO A 1 23 ? 5.591 17.111 4.317 1.00 92.77 23 A 1 ATOM 173 O O . PRO A 1 23 ? 4.887 17.225 3.309 1.00 91.52 23 A 1 ATOM 174 C CB . PRO A 1 23 ? 7.853 16.271 3.494 1.00 91.37 23 A 1 ATOM 175 C CG . PRO A 1 23 ? 8.323 14.859 3.139 1.00 90.55 23 A 1 ATOM 176 C CD . PRO A 1 23 ? 7.021 14.065 3.096 1.00 92.71 23 A 1 ATOM 177 N N . GLY A 1 24 ? 5.413 17.881 5.388 1.00 91.74 24 A 1 ATOM 178 C CA . GLY A 1 24 ? 4.396 18.933 5.474 1.00 91.00 24 A 1 ATOM 179 C C . GLY A 1 24 ? 2.944 18.465 5.318 1.00 92.29 24 A 1 ATOM 180 O O . GLY A 1 24 ? 2.078 19.292 5.029 1.00 90.65 24 A 1 ATOM 181 N N . TYR A 1 25 ? 2.670 17.167 5.491 1.00 93.32 25 A 1 ATOM 182 C CA . TYR A 1 25 ? 1.359 16.539 5.264 1.00 94.03 25 A 1 ATOM 183 C C . TYR A 1 25 ? 0.826 16.719 3.828 1.00 95.06 25 A 1 ATOM 184 O O . TYR A 1 25 ? -0.384 16.725 3.599 1.00 93.62 25 A 1 ATOM 185 C CB . TYR A 1 25 ? 0.350 16.986 6.335 1.00 93.25 25 A 1 ATOM 186 C CG . TYR A 1 25 ? 0.856 16.852 7.759 1.00 92.13 25 A 1 ATOM 187 C CD1 . TYR A 1 25 ? 0.868 15.587 8.376 1.00 87.53 25 A 1 ATOM 188 C CD2 . TYR A 1 25 ? 1.314 17.982 8.460 1.00 87.43 25 A 1 ATOM 189 C CE1 . TYR A 1 25 ? 1.337 15.453 9.696 1.00 85.65 25 A 1 ATOM 190 C CE2 . TYR A 1 25 ? 1.785 17.850 9.780 1.00 85.72 25 A 1 ATOM 191 C CZ . TYR A 1 25 ? 1.791 16.584 10.399 1.00 86.58 25 A 1 ATOM 192 O OH . TYR A 1 25 ? 2.238 16.451 11.679 1.00 84.79 25 A 1 ATOM 193 N N . LYS A 1 26 ? 1.720 16.853 2.851 1.00 94.55 26 A 1 ATOM 194 C CA . LYS A 1 26 ? 1.398 17.089 1.433 1.00 94.31 26 A 1 ATOM 195 C C . LYS A 1 26 ? 1.948 15.957 0.558 1.00 94.96 26 A 1 ATOM 196 O O . LYS A 1 26 ? 2.998 16.109 -0.065 1.00 94.22 26 A 1 ATOM 197 C CB . LYS A 1 26 ? 1.948 18.454 1.006 1.00 93.43 26 A 1 ATOM 198 C CG . LYS A 1 26 ? 1.241 19.623 1.694 1.00 90.75 26 A 1 ATOM 199 C CD . LYS A 1 26 ? 2.034 20.894 1.389 1.00 86.84 26 A 1 ATOM 200 C CE . LYS A 1 26 ? 1.596 22.047 2.285 1.00 81.20 26 A 1 ATOM 201 N NZ . LYS A 1 26 ? 2.674 23.067 2.314 1.00 72.29 26 A 1 ATOM 202 N N . PRO A 1 27 ? 1.262 14.810 0.500 1.00 96.06 27 A 1 ATOM 203 C CA . PRO A 1 27 ? 1.719 13.699 -0.319 1.00 96.01 27 A 1 ATOM 204 C C . PRO A 1 27 ? 1.667 14.046 -1.810 1.00 96.21 27 A 1 ATOM 205 O O . PRO A 1 27 ? 0.666 14.555 -2.325 1.00 95.14 27 A 1 ATOM 206 C CB . PRO A 1 27 ? 0.796 12.534 0.026 1.00 95.24 27 A 1 ATOM 207 C CG . PRO A 1 27 ? -0.499 13.218 0.453 1.00 93.87 27 A 1 ATOM 208 C CD . PRO A 1 27 ? -0.002 14.489 1.138 1.00 95.71 27 A 1 ATOM 209 N N . ARG A 1 28 ? 2.749 13.737 -2.525 1.00 96.42 28 A 1 ATOM 210 C CA . ARG A 1 28 ? 2.793 13.828 -3.987 1.00 95.58 28 A 1 ATOM 211 C C . ARG A 1 28 ? 2.005 12.674 -4.607 1.00 95.53 28 A 1 ATOM 212 O O . ARG A 1 28 ? 1.986 11.576 -4.062 1.00 93.14 28 A 1 ATOM 213 C CB . ARG A 1 28 ? 4.255 13.847 -4.471 1.00 93.75 28 A 1 ATOM 214 C CG . ARG A 1 28 ? 4.985 15.124 -4.021 1.00 90.04 28 A 1 ATOM 215 C CD . ARG A 1 28 ? 6.448 15.160 -4.483 1.00 89.31 28 A 1 ATOM 216 N NE . ARG A 1 28 ? 7.288 14.183 -3.748 1.00 85.31 28 A 1 ATOM 217 C CZ . ARG A 1 28 ? 7.972 13.174 -4.241 1.00 84.34 28 A 1 ATOM 218 N NH1 . ARG A 1 28 ? 7.968 12.884 -5.506 1.00 75.00 28 A 1 ATOM 219 N NH2 . ARG A 1 28 ? 8.695 12.420 -3.462 1.00 75.68 28 A 1 ATOM 220 N N . ASN A 1 29 ? 1.371 12.925 -5.734 1.00 95.84 29 A 1 ATOM 221 C CA . ASN A 1 29 ? 0.722 11.908 -6.571 1.00 95.88 29 A 1 ATOM 222 C C . ASN A 1 29 ? -0.321 11.020 -5.859 1.00 97.35 29 A 1 ATOM 223 O O . ASN A 1 29 ? -0.656 9.953 -6.361 1.00 96.53 29 A 1 ATOM 224 C CB . ASN A 1 29 ? 1.812 11.103 -7.312 1.00 93.47 29 A 1 ATOM 225 C CG . ASN A 1 29 ? 2.701 11.975 -8.178 1.00 88.09 29 A 1 ATOM 226 O OD1 . ASN A 1 29 ? 2.303 13.037 -8.638 1.00 79.84 29 A 1 ATOM 227 N ND2 . ASN A 1 29 ? 3.930 11.571 -8.407 1.00 77.65 29 A 1 ATOM 228 N N . ILE A 1 30 ? -0.887 11.457 -4.732 1.00 97.74 30 A 1 ATOM 229 C CA . ILE A 1 30 ? -1.824 10.642 -3.940 1.00 98.10 30 A 1 ATOM 230 C C . ILE A 1 30 ? -3.028 10.167 -4.764 1.00 98.40 30 A 1 ATOM 231 O O . ILE A 1 30 ? -3.464 9.031 -4.615 1.00 98.17 30 A 1 ATOM 232 C CB . ILE A 1 30 ? -2.259 11.407 -2.667 1.00 97.41 30 A 1 ATOM 233 C CG1 . ILE A 1 30 ? -2.969 10.508 -1.637 1.00 92.87 30 A 1 ATOM 234 C CG2 . ILE A 1 30 ? -3.149 12.627 -2.979 1.00 92.90 30 A 1 ATOM 235 C CD1 . ILE A 1 30 ? -2.110 9.348 -1.130 1.00 88.07 30 A 1 ATOM 236 N N . GLN A 1 31 ? -3.521 11.006 -5.677 1.00 98.29 31 A 1 ATOM 237 C CA . GLN A 1 31 ? -4.640 10.646 -6.546 1.00 98.19 31 A 1 ATOM 238 C C . GLN A 1 31 ? -4.273 9.514 -7.520 1.00 98.22 31 A 1 ATOM 239 O O . GLN A 1 31 ? -5.061 8.593 -7.695 1.00 98.03 31 A 1 ATOM 240 C CB . GLN A 1 31 ? -5.133 11.911 -7.270 1.00 97.80 31 A 1 ATOM 241 C CG . GLN A 1 31 ? -6.364 11.657 -8.150 1.00 90.49 31 A 1 ATOM 242 C CD . GLN A 1 31 ? -7.555 11.099 -7.379 1.00 90.51 31 A 1 ATOM 243 O OE1 . GLN A 1 31 ? -7.791 11.381 -6.212 1.00 84.24 31 A 1 ATOM 244 N NE2 . GLN A 1 31 ? -8.343 10.260 -8.023 1.00 81.53 31 A 1 ATOM 245 N N . ALA A 1 32 ? -3.065 9.526 -8.076 1.00 98.24 32 A 1 ATOM 246 C CA . ALA A 1 32 ? -2.592 8.454 -8.956 1.00 98.20 32 A 1 ATOM 247 C C . ALA A 1 32 ? -2.439 7.122 -8.196 1.00 98.26 32 A 1 ATOM 248 O O . ALA A 1 32 ? -2.808 6.068 -8.707 1.00 97.71 32 A 1 ATOM 249 C CB . ALA A 1 32 ? -1.276 8.905 -9.600 1.00 98.06 32 A 1 ATOM 250 N N . ILE A 1 33 ? -1.992 7.175 -6.936 1.00 98.39 33 A 1 ATOM 251 C CA . ILE A 1 33 ? -1.929 5.992 -6.058 1.00 98.35 33 A 1 ATOM 252 C C . ILE A 1 33 ? -3.339 5.447 -5.784 1.00 97.94 33 A 1 ATOM 253 O O . ILE A 1 33 ? -3.567 4.240 -5.871 1.00 97.50 33 A 1 ATOM 254 C CB . ILE A 1 33 ? -1.177 6.329 -4.749 1.00 98.52 33 A 1 ATOM 255 C CG1 . ILE A 1 33 ? 0.281 6.759 -5.056 1.00 98.20 33 A 1 ATOM 256 C CG2 . ILE A 1 33 ? -1.183 5.121 -3.789 1.00 98.29 33 A 1 ATOM 257 C CD1 . ILE A 1 33 ? 1.011 7.383 -3.861 1.00 97.44 33 A 1 ATOM 258 N N . VAL A 1 34 ? -4.315 6.319 -5.502 1.00 97.82 34 A 1 ATOM 259 C CA . VAL A 1 34 ? -5.721 5.917 -5.323 1.00 97.08 34 A 1 ATOM 260 C C . VAL A 1 34 ? -6.273 5.264 -6.593 1.00 96.07 34 A 1 ATOM 261 O O . VAL A 1 34 ? -6.906 4.211 -6.515 1.00 95.39 34 A 1 ATOM 262 C CB . VAL A 1 34 ? -6.586 7.119 -4.891 1.00 97.08 34 A 1 ATOM 263 C CG1 . VAL A 1 34 ? -8.095 6.829 -4.945 1.00 96.54 34 A 1 ATOM 264 C CG2 . VAL A 1 34 ? -6.260 7.525 -3.447 1.00 96.39 34 A 1 ATOM 265 N N . GLU A 1 35 ? -6.029 5.847 -7.760 1.00 96.14 35 A 1 ATOM 266 C CA . GLU A 1 35 ? -6.457 5.295 -9.052 1.00 95.43 35 A 1 ATOM 267 C C . GLU A 1 35 ? -5.819 3.931 -9.336 1.00 94.24 35 A 1 ATOM 268 O O . GLU A 1 35 ? -6.510 3.016 -9.784 1.00 93.79 35 A 1 ATOM 269 C CB . GLU A 1 35 ? -6.126 6.294 -10.168 1.00 96.52 35 A 1 ATOM 270 C CG . GLU A 1 35 ? -7.109 7.473 -10.138 1.00 94.66 35 A 1 ATOM 271 C CD . GLU A 1 35 ? -6.702 8.653 -11.026 1.00 92.02 35 A 1 ATOM 272 O OE1 . GLU A 1 35 ? -7.314 9.731 -10.806 1.00 84.51 35 A 1 ATOM 273 O OE2 . GLU A 1 35 ? -5.809 8.492 -11.887 1.00 86.63 35 A 1 ATOM 274 N N . TYR A 1 36 ? -4.541 3.766 -8.999 1.00 96.96 36 A 1 ATOM 275 C CA . TYR A 1 36 ? -3.860 2.476 -9.072 1.00 96.31 36 A 1 ATOM 276 C C . TYR A 1 36 ? -4.533 1.424 -8.181 1.00 95.13 36 A 1 ATOM 277 O O . TYR A 1 36 ? -4.824 0.324 -8.649 1.00 93.89 36 A 1 ATOM 278 C CB . TYR A 1 36 ? -2.381 2.652 -8.707 1.00 96.77 36 A 1 ATOM 279 C CG . TYR A 1 36 ? -1.633 1.336 -8.646 1.00 96.94 36 A 1 ATOM 280 C CD1 . TYR A 1 36 ? -1.601 0.597 -7.445 1.00 95.65 36 A 1 ATOM 281 C CD2 . TYR A 1 36 ? -1.017 0.824 -9.803 1.00 96.08 36 A 1 ATOM 282 C CE1 . TYR A 1 36 ? -0.956 -0.651 -7.405 1.00 95.38 36 A 1 ATOM 283 C CE2 . TYR A 1 36 ? -0.366 -0.422 -9.764 1.00 95.55 36 A 1 ATOM 284 C CZ . TYR A 1 36 ? -0.339 -1.161 -8.565 1.00 95.63 36 A 1 ATOM 285 O OH . TYR A 1 36 ? 0.283 -2.369 -8.525 1.00 94.34 36 A 1 ATOM 286 N N . ILE A 1 37 ? -4.835 1.760 -6.917 1.00 95.06 37 A 1 ATOM 287 C CA . ILE A 1 37 ? -5.520 0.843 -5.988 1.00 93.37 37 A 1 ATOM 288 C C . ILE A 1 37 ? -6.901 0.459 -6.532 1.00 91.28 37 A 1 ATOM 289 O O . ILE A 1 37 ? -7.250 -0.718 -6.552 1.00 89.75 37 A 1 ATOM 290 C CB . ILE A 1 37 ? -5.626 1.464 -4.581 1.00 94.34 37 A 1 ATOM 291 C CG1 . ILE A 1 37 ? -4.228 1.638 -3.946 1.00 94.41 37 A 1 ATOM 292 C CG2 . ILE A 1 37 ? -6.494 0.590 -3.653 1.00 94.05 37 A 1 ATOM 293 C CD1 . ILE A 1 37 ? -4.235 2.568 -2.732 1.00 94.38 37 A 1 ATOM 294 N N . ILE A 1 38 ? -7.686 1.429 -7.019 1.00 89.43 38 A 1 ATOM 295 C CA . ILE A 1 38 ? -9.006 1.174 -7.617 1.00 87.57 38 A 1 ATOM 296 C C . ILE A 1 38 ? -8.879 0.213 -8.801 1.00 86.15 38 A 1 ATOM 297 O O . ILE A 1 38 ? -9.624 -0.764 -8.889 1.00 85.34 38 A 1 ATOM 298 C CB . ILE A 1 38 ? -9.682 2.496 -8.045 1.00 88.53 38 A 1 ATOM 299 C CG1 . ILE A 1 38 ? -10.078 3.325 -6.801 1.00 89.80 38 A 1 ATOM 300 C CG2 . ILE A 1 38 ? -10.932 2.236 -8.913 1.00 89.30 38 A 1 ATOM 301 C CD1 . ILE A 1 38 ? -10.446 4.778 -7.118 1.00 88.23 38 A 1 ATOM 302 N N . LYS A 1 39 ? -7.934 0.473 -9.697 1.00 87.18 39 A 1 ATOM 303 C CA . LYS A 1 39 ? -7.668 -0.386 -10.852 1.00 86.04 39 A 1 ATOM 304 C C . LYS A 1 39 ? -7.277 -1.796 -10.413 1.00 85.46 39 A 1 ATOM 305 O O . LYS A 1 39 ? -7.878 -2.757 -10.884 1.00 85.54 39 A 1 ATOM 306 C CB . LYS A 1 39 ? -6.602 0.277 -11.732 1.00 88.51 39 A 1 ATOM 307 C CG . LYS A 1 39 ? -6.316 -0.575 -12.967 1.00 88.73 39 A 1 ATOM 308 C CD . LYS A 1 39 ? -5.230 0.051 -13.844 1.00 86.59 39 A 1 ATOM 309 C CE . LYS A 1 39 ? -4.924 -0.980 -14.931 1.00 82.39 39 A 1 ATOM 310 N NZ . LYS A 1 39 ? -3.811 -0.578 -15.811 1.00 77.61 39 A 1 ATOM 311 N N . TYR A 1 40 ? -6.337 -1.912 -9.475 1.00 89.07 40 A 1 ATOM 312 C CA . TYR A 1 40 ? -5.884 -3.199 -8.950 1.00 87.55 40 A 1 ATOM 313 C C . TYR A 1 40 ? -7.045 -4.008 -8.368 1.00 86.02 40 A 1 ATOM 314 O O . TYR A 1 40 ? -7.196 -5.186 -8.674 1.00 84.78 40 A 1 ATOM 315 C CB . TYR A 1 40 ? -4.792 -2.968 -7.896 1.00 88.74 40 A 1 ATOM 316 C CG . TYR A 1 40 ? -4.165 -4.259 -7.400 1.00 89.06 40 A 1 ATOM 317 C CD1 . TYR A 1 40 ? -4.786 -5.016 -6.384 1.00 87.45 40 A 1 ATOM 318 C CD2 . TYR A 1 40 ? -2.964 -4.716 -7.977 1.00 87.62 40 A 1 ATOM 319 C CE1 . TYR A 1 40 ? -4.213 -6.228 -5.954 1.00 86.78 40 A 1 ATOM 320 C CE2 . TYR A 1 40 ? -2.385 -5.925 -7.544 1.00 87.22 40 A 1 ATOM 321 C CZ . TYR A 1 40 ? -3.012 -6.683 -6.535 1.00 87.78 40 A 1 ATOM 322 O OH . TYR A 1 40 ? -2.457 -7.856 -6.116 1.00 86.91 40 A 1 ATOM 323 N N . PHE A 1 41 ? -7.896 -3.371 -7.565 1.00 84.56 41 A 1 ATOM 324 C CA . PHE A 1 41 ? -9.079 -4.023 -7.002 1.00 82.97 41 A 1 ATOM 325 C C . PHE A 1 41 ? -10.055 -4.473 -8.096 1.00 80.96 41 A 1 ATOM 326 O O . PHE A 1 41 ? -10.485 -5.619 -8.081 1.00 79.59 41 A 1 ATOM 327 C CB . PHE A 1 41 ? -9.750 -3.102 -5.971 1.00 84.59 41 A 1 ATOM 328 C CG . PHE A 1 41 ? -9.243 -3.274 -4.548 1.00 84.67 41 A 1 ATOM 329 C CD1 . PHE A 1 41 ? -10.103 -3.782 -3.552 1.00 82.55 41 A 1 ATOM 330 C CD2 . PHE A 1 41 ? -7.921 -2.948 -4.210 1.00 82.92 41 A 1 ATOM 331 C CE1 . PHE A 1 41 ? -9.642 -3.961 -2.235 1.00 81.50 41 A 1 ATOM 332 C CE2 . PHE A 1 41 ? -7.454 -3.133 -2.895 1.00 82.35 41 A 1 ATOM 333 C CZ . PHE A 1 41 ? -8.317 -3.639 -1.908 1.00 84.79 41 A 1 ATOM 334 N N . ASN A 1 42 ? -10.355 -3.623 -9.067 1.00 81.20 42 A 1 ATOM 335 C CA . ASN A 1 42 ? -11.269 -3.974 -10.157 1.00 78.51 42 A 1 ATOM 336 C C . ASN A 1 42 ? -10.758 -5.130 -11.030 1.00 77.77 42 A 1 ATOM 337 O O . ASN A 1 42 ? -11.561 -5.892 -11.555 1.00 76.59 42 A 1 ATOM 338 C CB . ASN A 1 42 ? -11.513 -2.730 -11.019 1.00 77.79 42 A 1 ATOM 339 C CG . ASN A 1 42 ? -12.385 -1.687 -10.346 1.00 74.22 42 A 1 ATOM 340 O OD1 . ASN A 1 42 ? -13.214 -1.956 -9.493 1.00 70.76 42 A 1 ATOM 341 N ND2 . ASN A 1 42 ? -12.264 -0.448 -10.746 1.00 68.98 42 A 1 ATOM 342 N N . GLU A 1 43 ? -9.445 -5.255 -11.198 1.00 78.04 43 A 1 ATOM 343 C CA . GLU A 1 43 ? -8.838 -6.292 -12.041 1.00 78.01 43 A 1 ATOM 344 C C . GLU A 1 43 ? -8.615 -7.622 -11.306 1.00 77.03 43 A 1 ATOM 345 O O . GLU A 1 43 ? -8.622 -8.671 -11.947 1.00 74.94 43 A 1 ATOM 346 C CB . GLU A 1 43 ? -7.515 -5.760 -12.619 1.00 79.27 43 A 1 ATOM 347 C CG . GLU A 1 43 ? -7.745 -4.671 -13.682 1.00 77.59 43 A 1 ATOM 348 C CD . GLU A 1 43 ? -6.451 -4.032 -14.225 1.00 76.67 43 A 1 ATOM 349 O OE1 . GLU A 1 43 ? -6.544 -3.304 -15.238 1.00 72.45 43 A 1 ATOM 350 O OE2 . GLU A 1 43 ? -5.365 -4.186 -13.627 1.00 74.15 43 A 1 ATOM 351 N N . ASN A 1 44 ? -8.423 -7.586 -9.987 1.00 79.63 44 A 1 ATOM 352 C CA . ASN A 1 44 ? -7.964 -8.756 -9.228 1.00 77.40 44 A 1 ATOM 353 C C . ASN A 1 44 ? -8.942 -9.241 -8.148 1.00 75.10 44 A 1 ATOM 354 O O . ASN A 1 44 ? -8.795 -10.363 -7.664 1.00 71.91 44 A 1 ATOM 355 C CB . ASN A 1 44 ? -6.583 -8.455 -8.628 1.00 79.37 44 A 1 ATOM 356 C CG . ASN A 1 44 ? -5.522 -8.160 -9.670 1.00 78.62 44 A 1 ATOM 357 O OD1 . ASN A 1 44 ? -4.873 -9.048 -10.194 1.00 73.98 44 A 1 ATOM 358 N ND2 . ASN A 1 44 ? -5.302 -6.912 -9.998 1.00 73.79 44 A 1 ATOM 359 N N . CYS A 1 45 ? -9.928 -8.430 -7.734 1.00 73.93 45 A 1 ATOM 360 C CA . CYS A 1 45 ? -10.906 -8.842 -6.732 1.00 69.81 45 A 1 ATOM 361 C C . CYS A 1 45 ? -12.023 -9.698 -7.326 1.00 68.30 45 A 1 ATOM 362 O O . CYS A 1 45 ? -12.490 -9.473 -8.440 1.00 64.08 45 A 1 ATOM 363 C CB . CYS A 1 45 ? -11.525 -7.641 -6.019 1.00 66.27 45 A 1 ATOM 364 S SG . CYS A 1 45 ? -10.325 -6.764 -5.011 1.00 57.81 45 A 1 ATOM 365 N N . SER A 1 46 ? -12.533 -10.610 -6.521 1.00 59.36 46 A 1 ATOM 366 C CA . SER A 1 46 ? -13.768 -11.329 -6.805 1.00 57.66 46 A 1 ATOM 367 C C . SER A 1 46 ? -14.597 -11.471 -5.531 1.00 58.34 46 A 1 ATOM 368 O O . SER A 1 46 ? -14.135 -12.036 -4.543 1.00 54.07 46 A 1 ATOM 369 C CB . SER A 1 46 ? -13.463 -12.685 -7.448 1.00 52.74 46 A 1 ATOM 370 O OG . SER A 1 46 ? -12.742 -13.543 -6.589 1.00 47.21 46 A 1 ATOM 371 N N . ASP A 1 47 ? -15.843 -10.990 -5.567 1.00 53.89 47 A 1 ATOM 372 C CA . ASP A 1 47 ? -16.818 -11.175 -4.487 1.00 53.13 47 A 1 ATOM 373 C C . ASP A 1 47 ? -17.622 -12.468 -4.717 1.00 53.84 47 A 1 ATOM 374 O O . ASP A 1 47 ? -18.821 -12.455 -5.013 1.00 51.37 47 A 1 ATOM 375 C CB . ASP A 1 47 ? -17.695 -9.918 -4.369 1.00 49.33 47 A 1 ATOM 376 C CG . ASP A 1 47 ? -18.662 -9.983 -3.178 1.00 46.43 47 A 1 ATOM 377 O OD1 . ASP A 1 47 ? -18.390 -10.751 -2.228 1.00 43.31 47 A 1 ATOM 378 O OD2 . ASP A 1 47 ? -19.668 -9.234 -3.213 1.00 42.97 47 A 1 ATOM 379 N N . GLN A 1 48 ? -16.946 -13.611 -4.700 1.00 46.38 48 A 1 ATOM 380 C CA . GLN A 1 48 ? -17.595 -14.914 -4.906 1.00 45.99 48 A 1 ATOM 381 C C . GLN A 1 48 ? -18.158 -15.506 -3.612 1.00 47.13 48 A 1 ATOM 382 O O . GLN A 1 48 ? -19.152 -16.237 -3.664 1.00 44.39 48 A 1 ATOM 383 C CB . GLN A 1 48 ? -16.620 -15.898 -5.566 1.00 41.55 48 A 1 ATOM 384 C CG . GLN A 1 48 ? -16.258 -15.478 -7.000 1.00 37.53 48 A 1 ATOM 385 C CD . GLN A 1 48 ? -15.436 -16.525 -7.746 1.00 34.71 48 A 1 ATOM 386 O OE1 . GLN A 1 48 ? -15.228 -17.646 -7.320 1.00 33.07 48 A 1 ATOM 387 N NE2 . GLN A 1 48 ? -14.938 -16.204 -8.920 1.00 31.53 48 A 1 ATOM 388 N N . GLU A 1 49 ? -17.548 -15.184 -2.479 1.00 49.40 49 A 1 ATOM 389 C CA . GLU A 1 49 ? -17.883 -15.702 -1.147 1.00 49.48 49 A 1 ATOM 390 C C . GLU A 1 49 ? -18.608 -14.653 -0.274 1.00 50.01 49 A 1 ATOM 391 O O . GLU A 1 49 ? -18.897 -14.923 0.886 1.00 47.44 49 A 1 ATOM 392 C CB . GLU A 1 49 ? -16.600 -16.233 -0.456 1.00 46.93 49 A 1 ATOM 393 C CG . GLU A 1 49 ? -15.922 -17.418 -1.177 1.00 42.88 49 A 1 ATOM 394 C CD . GLU A 1 49 ? -14.636 -17.946 -0.480 1.00 40.22 49 A 1 ATOM 395 O OE1 . GLU A 1 49 ? -13.996 -18.863 -1.047 1.00 38.08 49 A 1 ATOM 396 O OE2 . GLU A 1 49 ? -14.234 -17.447 0.597 1.00 36.61 49 A 1 ATOM 397 N N . GLY A 1 50 ? -18.896 -13.454 -0.818 1.00 47.03 50 A 1 ATOM 398 C CA . GLY A 1 50 ? -19.593 -12.382 -0.108 1.00 47.10 50 A 1 ATOM 399 C C . GLY A 1 50 ? -21.088 -12.653 0.085 1.00 47.45 50 A 1 ATOM 400 O O . GLY A 1 50 ? -21.739 -13.301 -0.736 1.00 46.02 50 A 1 ATOM 401 N N . TYR A 1 51 ? -21.655 -12.091 1.155 1.00 43.19 51 A 1 ATOM 402 C CA . TYR A 1 51 ? -23.095 -12.163 1.443 1.00 42.83 51 A 1 ATOM 403 C C . TYR A 1 51 ? -23.940 -11.440 0.386 1.00 43.15 51 A 1 ATOM 404 O O . TYR A 1 51 ? -25.084 -11.813 0.138 1.00 41.59 51 A 1 ATOM 405 C CB . TYR A 1 51 ? -23.369 -11.563 2.828 1.00 40.17 51 A 1 ATOM 406 C CG . TYR A 1 51 ? -22.793 -12.365 3.979 1.00 37.30 51 A 1 ATOM 407 C CD1 . TYR A 1 51 ? -23.455 -13.533 4.416 1.00 35.06 51 A 1 ATOM 408 C CD2 . TYR A 1 51 ? -21.607 -11.960 4.614 1.00 34.98 51 A 1 ATOM 409 C CE1 . TYR A 1 51 ? -22.933 -14.292 5.480 1.00 31.61 51 A 1 ATOM 410 C CE2 . TYR A 1 51 ? -21.077 -12.718 5.677 1.00 32.22 51 A 1 ATOM 411 C CZ . TYR A 1 51 ? -21.743 -13.885 6.111 1.00 32.38 51 A 1 ATOM 412 O OH . TYR A 1 51 ? -21.234 -14.619 7.141 1.00 30.44 51 A 1 ATOM 413 N N . TRP A 1 52 ? -23.378 -10.412 -0.256 1.00 42.84 52 A 1 ATOM 414 C CA . TRP A 1 52 ? -24.060 -9.586 -1.247 1.00 42.47 52 A 1 ATOM 415 C C . TRP A 1 52 ? -23.214 -9.438 -2.510 1.00 43.44 52 A 1 ATOM 416 O O . TRP A 1 52 ? -22.085 -8.957 -2.458 1.00 40.79 52 A 1 ATOM 417 C CB . TRP A 1 52 ? -24.378 -8.215 -0.644 1.00 39.04 52 A 1 ATOM 418 C CG . TRP A 1 52 ? -25.177 -8.268 0.621 1.00 36.85 52 A 1 ATOM 419 C CD1 . TRP A 1 52 ? -24.673 -8.180 1.871 1.00 32.88 52 A 1 ATOM 420 C CD2 . TRP A 1 52 ? -26.613 -8.496 0.781 1.00 33.15 52 A 1 ATOM 421 N NE1 . TRP A 1 52 ? -25.693 -8.335 2.796 1.00 30.04 52 A 1 ATOM 422 C CE2 . TRP A 1 52 ? -26.912 -8.535 2.178 1.00 30.90 52 A 1 ATOM 423 C CE3 . TRP A 1 52 ? -27.691 -8.670 -0.112 1.00 31.72 52 A 1 ATOM 424 C CZ2 . TRP A 1 52 ? -28.214 -8.746 2.665 1.00 29.09 52 A 1 ATOM 425 C CZ3 . TRP A 1 52 ? -28.999 -8.877 0.372 1.00 29.57 52 A 1 ATOM 426 C CH2 . TRP A 1 52 ? -29.262 -8.913 1.756 1.00 29.42 52 A 1 ATOM 427 N N . LYS A 1 53 ? -23.785 -9.777 -3.656 1.00 43.93 53 A 1 ATOM 428 C CA . LYS A 1 53 ? -23.167 -9.518 -4.959 1.00 44.51 53 A 1 ATOM 429 C C . LYS A 1 53 ? -23.578 -8.134 -5.448 1.00 44.73 53 A 1 ATOM 430 O O . LYS A 1 53 ? -24.759 -7.870 -5.669 1.00 43.12 53 A 1 ATOM 431 C CB . LYS A 1 53 ? -23.524 -10.616 -5.971 1.00 42.23 53 A 1 ATOM 432 C CG . LYS A 1 53 ? -22.916 -11.960 -5.546 1.00 39.78 53 A 1 ATOM 433 C CD . LYS A 1 53 ? -23.128 -13.044 -6.605 1.00 37.61 53 A 1 ATOM 434 C CE . LYS A 1 53 ? -22.478 -14.329 -6.085 1.00 35.54 53 A 1 ATOM 435 N NZ . LYS A 1 53 ? -22.525 -15.432 -7.077 1.00 31.98 53 A 1 ATOM 436 N N . SER A 1 54 ? -22.602 -7.249 -5.623 1.00 47.54 54 A 1 ATOM 437 C CA . SER A 1 54 ? -22.821 -5.896 -6.125 1.00 47.57 54 A 1 ATOM 438 C C . SER A 1 54 ? -21.701 -5.502 -7.079 1.00 48.07 54 A 1 ATOM 439 O O . SER A 1 54 ? -20.529 -5.593 -6.733 1.00 45.31 54 A 1 ATOM 440 C CB . SER A 1 54 ? -22.882 -4.913 -4.954 1.00 44.35 54 A 1 ATOM 441 O OG . SER A 1 54 ? -22.958 -3.571 -5.407 1.00 40.86 54 A 1 ATOM 442 N N . ASN A 1 55 ? -22.069 -4.944 -8.226 1.00 46.54 55 A 1 ATOM 443 C CA . ASN A 1 55 ? -21.110 -4.382 -9.186 1.00 47.22 55 A 1 ATOM 444 C C . ASN A 1 55 ? -20.316 -3.183 -8.624 1.00 48.59 55 A 1 ATOM 445 O O . ASN A 1 55 ? -19.438 -2.658 -9.299 1.00 46.71 55 A 1 ATOM 446 C CB . ASN A 1 55 ? -21.867 -3.962 -10.463 1.00 43.96 55 A 1 ATOM 447 C CG . ASN A 1 55 ? -22.499 -5.113 -11.225 1.00 40.81 55 A 1 ATOM 448 O OD1 . ASN A 1 55 ? -22.255 -6.278 -10.990 1.00 37.57 55 A 1 ATOM 449 N ND2 . ASN A 1 55 ? -23.358 -4.818 -12.172 1.00 36.74 55 A 1 ATOM 450 N N . LYS A 1 56 ? -20.660 -2.701 -7.413 1.00 47.02 56 A 1 ATOM 451 C CA . LYS A 1 56 ? -20.000 -1.568 -6.741 1.00 47.95 56 A 1 ATOM 452 C C . LYS A 1 56 ? -19.088 -1.995 -5.588 1.00 49.77 56 A 1 ATOM 453 O O . LYS A 1 56 ? -18.376 -1.150 -5.051 1.00 47.47 56 A 1 ATOM 454 C CB . LYS A 1 56 ? -21.058 -0.576 -6.245 1.00 43.97 56 A 1 ATOM 455 C CG . LYS A 1 56 ? -21.903 0.014 -7.389 1.00 39.81 56 A 1 ATOM 456 C CD . LYS A 1 56 ? -22.879 1.059 -6.840 1.00 37.17 56 A 1 ATOM 457 C CE . LYS A 1 56 ? -23.709 1.644 -7.987 1.00 34.37 56 A 1 ATOM 458 N NZ . LYS A 1 56 ? -24.676 2.661 -7.501 1.00 31.18 56 A 1 ATOM 459 N N . SER A 1 57 ? -19.134 -3.254 -5.184 1.00 54.60 57 A 1 ATOM 460 C CA . SER A 1 57 ? -18.377 -3.786 -4.054 1.00 54.98 57 A 1 ATOM 461 C C . SER A 1 57 ? -17.272 -4.694 -4.571 1.00 58.83 57 A 1 ATOM 462 O O . SER A 1 57 ? -17.549 -5.753 -5.124 1.00 54.82 57 A 1 ATOM 463 C CB . SER A 1 57 ? -19.293 -4.548 -3.091 1.00 49.32 57 A 1 ATOM 464 O OG . SER A 1 57 ? -20.268 -3.668 -2.559 1.00 44.03 57 A 1 ATOM 465 N N . VAL A 1 58 ? -16.032 -4.260 -4.379 1.00 63.46 58 A 1 ATOM 466 C CA . VAL A 1 58 ? -14.836 -5.042 -4.707 1.00 65.99 58 A 1 ATOM 467 C C . VAL A 1 58 ? -14.018 -5.263 -3.441 1.00 68.92 58 A 1 ATOM 468 O O . VAL A 1 58 ? -13.859 -4.345 -2.624 1.00 67.19 58 A 1 ATOM 469 C CB . VAL A 1 58 ? -14.009 -4.403 -5.841 1.00 62.32 58 A 1 ATOM 470 C CG1 . VAL A 1 58 ? -14.761 -4.490 -7.176 1.00 55.00 58 A 1 ATOM 471 C CG2 . VAL A 1 58 ? -13.658 -2.937 -5.584 1.00 56.17 58 A 1 ATOM 472 N N . MET A 1 59 ? -13.547 -6.494 -3.249 1.00 68.65 59 A 1 ATOM 473 C CA . MET A 1 59 ? -12.918 -6.943 -2.010 1.00 69.09 59 A 1 ATOM 474 C C . MET A 1 59 ? -12.010 -8.155 -2.223 1.00 71.26 59 A 1 ATOM 475 O O . MET A 1 59 ? -12.197 -8.930 -3.160 1.00 69.34 59 A 1 ATOM 476 C CB . MET A 1 59 ? -14.008 -7.240 -0.970 1.00 65.18 59 A 1 ATOM 477 C CG . MET A 1 59 ? -14.987 -8.346 -1.393 1.00 58.40 59 A 1 ATOM 478 S SD . MET A 1 59 ? -16.520 -8.371 -0.423 1.00 54.46 59 A 1 ATOM 479 C CE . MET A 1 59 ? -17.379 -6.942 -1.104 1.00 49.45 59 A 1 ATOM 480 N N . PHE A 1 60 ? -11.048 -8.314 -1.326 1.00 73.25 60 A 1 ATOM 481 C CA . PHE A 1 60 ? -10.218 -9.510 -1.219 1.00 74.14 60 A 1 ATOM 482 C C . PHE A 1 60 ? -10.516 -10.250 0.082 1.00 74.15 60 A 1 ATOM 483 O O . PHE A 1 60 ? -10.694 -9.636 1.131 1.00 72.97 60 A 1 ATOM 484 C CB . PHE A 1 60 ? -8.733 -9.140 -1.268 1.00 73.18 60 A 1 ATOM 485 C CG . PHE A 1 60 ? -8.224 -8.712 -2.628 1.00 71.94 60 A 1 ATOM 486 C CD1 . PHE A 1 60 ? -7.945 -9.687 -3.605 1.00 67.51 60 A 1 ATOM 487 C CD2 . PHE A 1 60 ? -7.971 -7.359 -2.902 1.00 68.37 60 A 1 ATOM 488 C CE1 . PHE A 1 60 ? -7.417 -9.304 -4.851 1.00 63.90 60 A 1 ATOM 489 C CE2 . PHE A 1 60 ? -7.443 -6.977 -4.151 1.00 65.69 60 A 1 ATOM 490 C CZ . PHE A 1 60 ? -7.164 -7.950 -5.126 1.00 69.11 60 A 1 ATOM 491 N N . TYR A 1 61 ? -10.467 -11.576 0.020 1.00 72.84 61 A 1 ATOM 492 C CA . TYR A 1 61 ? -10.405 -12.429 1.204 1.00 72.42 61 A 1 ATOM 493 C C . TYR A 1 61 ? -8.943 -12.768 1.477 1.00 74.34 61 A 1 ATOM 494 O O . TYR A 1 61 ? -8.352 -13.593 0.783 1.00 72.69 61 A 1 ATOM 495 C CB . TYR A 1 61 ? -11.264 -13.674 1.008 1.00 68.37 61 A 1 ATOM 496 C CG . TYR A 1 61 ? -12.742 -13.361 0.999 1.00 63.06 61 A 1 ATOM 497 C CD1 . TYR A 1 61 ? -13.456 -13.312 2.212 1.00 58.29 61 A 1 ATOM 498 C CD2 . TYR A 1 61 ? -13.394 -13.090 -0.220 1.00 57.13 61 A 1 ATOM 499 C CE1 . TYR A 1 61 ? -14.821 -12.991 2.208 1.00 52.59 61 A 1 ATOM 500 C CE2 . TYR A 1 61 ? -14.758 -12.761 -0.227 1.00 52.84 61 A 1 ATOM 501 C CZ . TYR A 1 61 ? -15.473 -12.713 0.988 1.00 52.09 61 A 1 ATOM 502 O OH . TYR A 1 61 ? -16.791 -12.391 0.982 1.00 49.82 61 A 1 ATOM 503 N N . ILE A 1 62 ? -8.356 -12.108 2.470 1.00 74.79 62 A 1 ATOM 504 C CA . ILE A 1 62 ? -6.928 -12.214 2.792 1.00 76.06 62 A 1 ATOM 505 C C . ILE A 1 62 ? -6.781 -12.839 4.171 1.00 75.86 62 A 1 ATOM 506 O O . ILE A 1 62 ? -7.548 -12.534 5.080 1.00 75.42 62 A 1 ATOM 507 C CB . ILE A 1 62 ? -6.234 -10.839 2.688 1.00 76.26 62 A 1 ATOM 508 C CG1 . ILE A 1 62 ? -6.484 -10.226 1.290 1.00 71.50 62 A 1 ATOM 509 C CG2 . ILE A 1 62 ? -4.719 -10.965 2.944 1.00 70.76 62 A 1 ATOM 510 C CD1 . ILE A 1 62 ? -5.939 -8.813 1.144 1.00 67.99 62 A 1 ATOM 511 N N . ASP A 1 63 ? -5.799 -13.722 4.342 1.00 76.57 63 A 1 ATOM 512 C CA . ASP A 1 63 ? -5.434 -14.165 5.679 1.00 76.78 63 A 1 ATOM 513 C C . ASP A 1 63 ? -4.832 -12.989 6.458 1.00 77.30 63 A 1 ATOM 514 O O . ASP A 1 63 ? -3.962 -12.290 5.936 1.00 74.72 63 A 1 ATOM 515 C CB . ASP A 1 63 ? -4.492 -15.372 5.625 1.00 74.32 63 A 1 ATOM 516 C CG . ASP A 1 63 ? -4.575 -16.146 6.943 1.00 68.51 63 A 1 ATOM 517 O OD1 . ASP A 1 63 ? -4.345 -15.527 8.001 1.00 64.27 63 A 1 ATOM 518 O OD2 . ASP A 1 63 ? -5.025 -17.320 6.890 1.00 63.98 63 A 1 ATOM 519 N N . SER A 1 64 ? -5.292 -12.751 7.687 1.00 75.30 64 A 1 ATOM 520 C CA . SER A 1 64 ? -4.803 -11.648 8.526 1.00 73.15 64 A 1 ATOM 521 C C . SER A 1 64 ? -3.289 -11.673 8.714 1.00 75.03 64 A 1 ATOM 522 O O . SER A 1 64 ? -2.674 -10.618 8.814 1.00 71.58 64 A 1 ATOM 523 C CB . SER A 1 64 ? -5.479 -11.670 9.898 1.00 69.29 64 A 1 ATOM 524 O OG . SER A 1 64 ? -5.364 -12.922 10.545 1.00 62.25 64 A 1 ATOM 525 N N . ASP A 1 65 ? -2.697 -12.868 8.714 1.00 76.73 65 A 1 ATOM 526 C CA . ASP A 1 65 ? -1.259 -13.052 8.906 1.00 76.73 65 A 1 ATOM 527 C C . ASP A 1 65 ? -0.454 -12.668 7.651 1.00 79.03 65 A 1 ATOM 528 O O . ASP A 1 65 ? 0.732 -12.373 7.740 1.00 75.98 65 A 1 ATOM 529 C CB . ASP A 1 65 ? -1.002 -14.502 9.354 1.00 73.81 65 A 1 ATOM 530 C CG . ASP A 1 65 ? -1.728 -14.891 10.660 1.00 67.51 65 A 1 ATOM 531 O OD1 . ASP A 1 65 ? -2.224 -13.989 11.381 1.00 62.11 65 A 1 ATOM 532 O OD2 . ASP A 1 65 ? -1.836 -16.109 10.924 1.00 62.74 65 A 1 ATOM 533 N N . ASN A 1 66 ? -1.112 -12.591 6.493 1.00 82.78 66 A 1 ATOM 534 C CA . ASN A 1 66 ? -0.505 -12.252 5.202 1.00 83.96 66 A 1 ATOM 535 C C . ASN A 1 66 ? -0.809 -10.816 4.745 1.00 86.91 66 A 1 ATOM 536 O O . ASN A 1 66 ? -0.507 -10.452 3.604 1.00 85.56 66 A 1 ATOM 537 C CB . ASN A 1 66 ? -0.962 -13.280 4.154 1.00 79.09 66 A 1 ATOM 538 C CG . ASN A 1 66 ? -0.498 -14.698 4.440 1.00 69.01 66 A 1 ATOM 539 O OD1 . ASN A 1 66 ? 0.442 -14.972 5.158 1.00 61.76 66 A 1 ATOM 540 N ND2 . ASN A 1 66 ? -1.141 -15.675 3.851 1.00 61.08 66 A 1 ATOM 541 N N . ILE A 1 67 ? -1.434 -9.985 5.590 1.00 86.14 67 A 1 ATOM 542 C CA . ILE A 1 67 ? -1.836 -8.624 5.194 1.00 87.44 67 A 1 ATOM 543 C C . ILE A 1 67 ? -0.632 -7.769 4.799 1.00 89.05 67 A 1 ATOM 544 O O . ILE A 1 67 ? -0.713 -7.020 3.828 1.00 88.96 67 A 1 ATOM 545 C CB . ILE A 1 67 ? -2.691 -7.954 6.292 1.00 85.45 67 A 1 ATOM 546 C CG1 . ILE A 1 67 ? -3.336 -6.628 5.819 1.00 76.21 67 A 1 ATOM 547 C CG2 . ILE A 1 67 ? -1.903 -7.673 7.589 1.00 74.84 67 A 1 ATOM 548 C CD1 . ILE A 1 67 ? -4.243 -6.767 4.600 1.00 69.02 67 A 1 ATOM 549 N N . TYR A 1 68 ? 0.494 -7.919 5.496 1.00 90.06 68 A 1 ATOM 550 C CA . TYR A 1 68 ? 1.721 -7.194 5.181 1.00 91.48 68 A 1 ATOM 551 C C . TYR A 1 68 ? 2.214 -7.526 3.770 1.00 91.98 68 A 1 ATOM 552 O O . TYR A 1 68 ? 2.373 -6.619 2.960 1.00 92.12 68 A 1 ATOM 553 C CB . TYR A 1 68 ? 2.797 -7.493 6.233 1.00 91.93 68 A 1 ATOM 554 C CG . TYR A 1 68 ? 4.128 -6.833 5.915 1.00 92.07 68 A 1 ATOM 555 C CD1 . TYR A 1 68 ? 5.105 -7.527 5.170 1.00 89.37 68 A 1 ATOM 556 C CD2 . TYR A 1 68 ? 4.363 -5.500 6.301 1.00 89.70 68 A 1 ATOM 557 C CE1 . TYR A 1 68 ? 6.307 -6.890 4.805 1.00 88.17 68 A 1 ATOM 558 C CE2 . TYR A 1 68 ? 5.567 -4.857 5.940 1.00 88.29 68 A 1 ATOM 559 C CZ . TYR A 1 68 ? 6.535 -5.552 5.185 1.00 89.94 68 A 1 ATOM 560 O OH . TYR A 1 68 ? 7.689 -4.927 4.814 1.00 88.55 68 A 1 ATOM 561 N N . ASP A 1 69 ? 2.379 -8.804 3.449 1.00 90.40 69 A 1 ATOM 562 C CA . ASP A 1 69 ? 2.891 -9.252 2.148 1.00 90.36 69 A 1 ATOM 563 C C . ASP A 1 69 ? 1.967 -8.835 0.998 1.00 91.08 69 A 1 ATOM 564 O O . ASP A 1 69 ? 2.422 -8.455 -0.082 1.00 90.60 69 A 1 ATOM 565 C CB . ASP A 1 69 ? 3.036 -10.784 2.149 1.00 90.42 69 A 1 ATOM 566 C CG . ASP A 1 69 ? 4.134 -11.313 3.076 1.00 87.56 69 A 1 ATOM 567 O OD1 . ASP A 1 69 ? 5.031 -10.529 3.454 1.00 83.18 69 A 1 ATOM 568 O OD2 . ASP A 1 69 ? 4.081 -12.530 3.369 1.00 82.20 69 A 1 ATOM 569 N N . PHE A 1 70 ? 0.646 -8.863 1.235 1.00 90.50 70 A 1 ATOM 570 C CA . PHE A 1 70 ? -0.329 -8.382 0.263 1.00 90.37 70 A 1 ATOM 571 C C . PHE A 1 70 ? -0.170 -6.884 -0.007 1.00 92.22 70 A 1 ATOM 572 O O . PHE A 1 70 ? -0.082 -6.476 -1.165 1.00 92.19 70 A 1 ATOM 573 C CB . PHE A 1 70 ? -1.748 -8.709 0.743 1.00 89.41 70 A 1 ATOM 574 C CG . PHE A 1 70 ? -2.815 -8.171 -0.196 1.00 88.44 70 A 1 ATOM 575 C CD1 . PHE A 1 70 ? -3.342 -6.877 -0.004 1.00 86.02 70 A 1 ATOM 576 C CD2 . PHE A 1 70 ? -3.241 -8.941 -1.296 1.00 85.93 70 A 1 ATOM 577 C CE1 . PHE A 1 70 ? -4.286 -6.357 -0.910 1.00 84.49 70 A 1 ATOM 578 C CE2 . PHE A 1 70 ? -4.185 -8.420 -2.197 1.00 84.30 70 A 1 ATOM 579 C CZ . PHE A 1 70 ? -4.707 -7.127 -2.005 1.00 84.96 70 A 1 ATOM 580 N N . VAL A 1 71 ? -0.131 -6.062 1.048 1.00 92.23 71 A 1 ATOM 581 C CA . VAL A 1 71 ? 0.007 -4.601 0.940 1.00 93.70 71 A 1 ATOM 582 C C . VAL A 1 71 ? 1.347 -4.236 0.312 1.00 95.20 71 A 1 ATOM 583 O O . VAL A 1 71 ? 1.376 -3.415 -0.603 1.00 95.48 71 A 1 ATOM 584 C CB . VAL A 1 71 ? -0.176 -3.933 2.319 1.00 93.75 71 A 1 ATOM 585 C CG1 . VAL A 1 71 ? 0.133 -2.430 2.296 1.00 92.73 71 A 1 ATOM 586 C CG2 . VAL A 1 71 ? -1.625 -4.071 2.801 1.00 92.42 71 A 1 ATOM 587 N N . ASP A 1 72 ? 2.429 -4.876 0.748 1.00 93.79 72 A 1 ATOM 588 C CA . ASP A 1 72 ? 3.778 -4.674 0.226 1.00 94.53 72 A 1 ATOM 589 C C . ASP A 1 72 ? 3.832 -4.936 -1.279 1.00 94.68 72 A 1 ATOM 590 O O . ASP A 1 72 ? 4.164 -4.047 -2.068 1.00 94.65 72 A 1 ATOM 591 C CB . ASP A 1 72 ? 4.756 -5.595 0.975 1.00 94.80 72 A 1 ATOM 592 C CG . ASP A 1 72 ? 6.200 -5.322 0.540 1.00 94.10 72 A 1 ATOM 593 O OD1 . ASP A 1 72 ? 6.784 -4.345 1.053 1.00 88.92 72 A 1 ATOM 594 O OD2 . ASP A 1 72 ? 6.732 -6.028 -0.341 1.00 89.10 72 A 1 ATOM 595 N N . LYS A 1 73 ? 3.407 -6.120 -1.699 1.00 92.81 73 A 1 ATOM 596 C CA . LYS A 1 73 ? 3.406 -6.508 -3.111 1.00 92.13 73 A 1 ATOM 597 C C . LYS A 1 73 ? 2.522 -5.602 -3.959 1.00 93.46 73 A 1 ATOM 598 O O . LYS A 1 73 ? 2.912 -5.236 -5.067 1.00 93.05 73 A 1 ATOM 599 C CB . LYS A 1 73 ? 2.969 -7.973 -3.210 1.00 90.95 73 A 1 ATOM 600 C CG . LYS A 1 73 ? 3.000 -8.483 -4.656 1.00 82.64 73 A 1 ATOM 601 C CD . LYS A 1 73 ? 2.571 -9.947 -4.700 1.00 77.49 73 A 1 ATOM 602 C CE . LYS A 1 73 ? 2.570 -10.433 -6.148 1.00 67.03 73 A 1 ATOM 603 N NZ . LYS A 1 73 ? 2.124 -11.844 -6.230 1.00 59.35 73 A 1 ATOM 604 N N . MET A 1 74 ? 1.320 -5.267 -3.473 1.00 93.86 74 A 1 ATOM 605 C CA . MET A 1 74 ? 0.388 -4.425 -4.223 1.00 94.23 74 A 1 ATOM 606 C C . MET A 1 74 ? 0.939 -3.008 -4.387 1.00 95.63 74 A 1 ATOM 607 O O . MET A 1 74 ? 1.047 -2.533 -5.510 1.00 95.49 74 A 1 ATOM 608 C CB . MET A 1 74 ? -0.986 -4.425 -3.535 1.00 92.86 74 A 1 ATOM 609 C CG . MET A 1 74 ? -2.019 -3.618 -4.335 1.00 89.52 74 A 1 ATOM 610 S SD . MET A 1 74 ? -3.599 -3.348 -3.491 1.00 86.95 74 A 1 ATOM 611 C CE . MET A 1 74 ? -3.017 -2.241 -2.188 1.00 78.90 74 A 1 ATOM 612 N N . LEU A 1 75 ? 1.310 -2.336 -3.295 1.00 95.56 75 A 1 ATOM 613 C CA . LEU A 1 75 ? 1.725 -0.932 -3.338 1.00 96.59 75 A 1 ATOM 614 C C . LEU A 1 75 ? 3.086 -0.741 -4.007 1.00 97.17 75 A 1 ATOM 615 O O . LEU A 1 75 ? 3.241 0.209 -4.770 1.00 97.08 75 A 1 ATOM 616 C CB . LEU A 1 75 ? 1.710 -0.320 -1.931 1.00 96.89 75 A 1 ATOM 617 C CG . LEU A 1 75 ? 0.312 -0.151 -1.312 1.00 96.21 75 A 1 ATOM 618 C CD1 . LEU A 1 75 ? 0.446 0.481 0.073 1.00 95.15 75 A 1 ATOM 619 C CD2 . LEU A 1 75 ? -0.603 0.756 -2.146 1.00 95.06 75 A 1 ATOM 620 N N . LYS A 1 76 ? 4.041 -1.653 -3.823 1.00 96.71 76 A 1 ATOM 621 C CA . LYS A 1 76 ? 5.327 -1.591 -4.538 1.00 96.55 76 A 1 ATOM 622 C C . LYS A 1 76 ? 5.193 -1.858 -6.042 1.00 96.67 76 A 1 ATOM 623 O O . LYS A 1 76 ? 6.090 -1.507 -6.800 1.00 95.92 76 A 1 ATOM 624 C CB . LYS A 1 76 ? 6.356 -2.519 -3.882 1.00 96.33 76 A 1 ATOM 625 C CG . LYS A 1 76 ? 6.803 -1.986 -2.509 1.00 95.43 76 A 1 ATOM 626 C CD . LYS A 1 76 ? 7.846 -2.910 -1.858 1.00 92.96 76 A 1 ATOM 627 C CE . LYS A 1 76 ? 8.337 -2.277 -0.551 1.00 90.16 76 A 1 ATOM 628 N NZ . LYS A 1 76 ? 9.118 -3.223 0.280 1.00 83.75 76 A 1 ATOM 629 N N . GLY A 1 77 ? 4.058 -2.391 -6.501 1.00 96.05 77 A 1 ATOM 630 C CA . GLY A 1 77 ? 3.701 -2.417 -7.921 1.00 96.04 77 A 1 ATOM 631 C C . GLY A 1 77 ? 3.301 -1.051 -8.495 1.00 96.82 77 A 1 ATOM 632 O O . GLY A 1 77 ? 3.255 -0.898 -9.713 1.00 95.96 77 A 1 ATOM 633 N N . CYS A 1 78 ? 3.015 -0.058 -7.652 1.00 97.33 78 A 1 ATOM 634 C CA . CYS A 1 78 ? 2.660 1.301 -8.050 1.00 97.69 78 A 1 ATOM 635 C C . CYS A 1 78 ? 3.914 2.179 -8.146 1.00 97.78 78 A 1 ATOM 636 O O . CYS A 1 78 ? 4.613 2.403 -7.162 1.00 97.47 78 A 1 ATOM 637 C CB . CYS A 1 78 ? 1.644 1.853 -7.043 1.00 97.76 78 A 1 ATOM 638 S SG . CYS A 1 78 ? 1.120 3.522 -7.518 1.00 97.70 78 A 1 ATOM 639 N N . LYS A 1 79 ? 4.177 2.715 -9.345 1.00 97.93 79 A 1 ATOM 640 C CA . LYS A 1 79 ? 5.318 3.605 -9.585 1.00 97.74 79 A 1 ATOM 641 C C . LYS A 1 79 ? 5.263 4.841 -8.682 1.00 97.90 79 A 1 ATOM 642 O O . LYS A 1 79 ? 6.240 5.159 -8.014 1.00 97.47 79 A 1 ATOM 643 C CB . LYS A 1 79 ? 5.342 3.980 -11.071 1.00 97.09 79 A 1 ATOM 644 C CG . LYS A 1 79 ? 6.500 4.930 -11.380 1.00 93.44 79 A 1 ATOM 645 C CD . LYS A 1 79 ? 6.464 5.417 -12.829 1.00 90.08 79 A 1 ATOM 646 C CE . LYS A 1 79 ? 7.471 6.562 -12.896 1.00 82.43 79 A 1 ATOM 647 N NZ . LYS A 1 79 ? 7.423 7.298 -14.169 1.00 73.66 79 A 1 ATOM 648 N N . GLU A 1 80 ? 4.119 5.506 -8.628 1.00 97.92 80 A 1 ATOM 649 C CA . GLU A 1 80 ? 3.903 6.739 -7.870 1.00 97.98 80 A 1 ATOM 650 C C . GLU A 1 80 ? 4.054 6.525 -6.362 1.00 98.06 80 A 1 ATOM 651 O O . GLU A 1 80 ? 4.497 7.430 -5.656 1.00 97.63 80 A 1 ATOM 652 C CB . GLU A 1 80 ? 2.511 7.306 -8.177 1.00 97.92 80 A 1 ATOM 653 C CG . GLU A 1 80 ? 2.304 7.770 -9.628 1.00 96.04 80 A 1 ATOM 654 C CD . GLU A 1 80 ? 2.113 6.649 -10.666 1.00 95.17 80 A 1 ATOM 655 O OE1 . GLU A 1 80 ? 2.147 6.980 -11.871 1.00 87.50 80 A 1 ATOM 656 O OE2 . GLU A 1 80 ? 1.960 5.463 -10.284 1.00 89.52 80 A 1 ATOM 657 N N . PHE A 1 81 ? 3.742 5.329 -5.865 1.00 98.15 81 A 1 ATOM 658 C CA . PHE A 1 81 ? 3.996 4.964 -4.476 1.00 98.14 81 A 1 ATOM 659 C C . PHE A 1 81 ? 5.498 4.847 -4.194 1.00 97.91 81 A 1 ATOM 660 O O . PHE A 1 81 ? 5.981 5.421 -3.225 1.00 97.54 81 A 1 ATOM 661 C CB . PHE A 1 81 ? 3.254 3.666 -4.132 1.00 98.21 81 A 1 ATOM 662 C CG . PHE A 1 81 ? 3.462 3.226 -2.699 1.00 98.37 81 A 1 ATOM 663 C CD1 . PHE A 1 81 ? 4.404 2.227 -2.391 1.00 97.65 81 A 1 ATOM 664 C CD2 . PHE A 1 81 ? 2.735 3.836 -1.662 1.00 97.79 81 A 1 ATOM 665 C CE1 . PHE A 1 81 ? 4.610 1.836 -1.053 1.00 97.56 81 A 1 ATOM 666 C CE2 . PHE A 1 81 ? 2.940 3.446 -0.329 1.00 97.49 81 A 1 ATOM 667 C CZ . PHE A 1 81 ? 3.879 2.446 -0.022 1.00 97.93 81 A 1 ATOM 668 N N . ASN A 1 82 ? 6.254 4.178 -5.071 1.00 97.84 82 A 1 ATOM 669 C CA . ASN A 1 82 ? 7.709 4.061 -4.911 1.00 97.28 82 A 1 ATOM 670 C C . ASN A 1 82 ? 8.410 5.428 -4.999 1.00 96.80 82 A 1 ATOM 671 O O . ASN A 1 82 ? 9.358 5.693 -4.260 1.00 95.72 82 A 1 ATOM 672 C CB . ASN A 1 82 ? 8.248 3.083 -5.963 1.00 97.05 82 A 1 ATOM 673 C CG . ASN A 1 82 ? 7.726 1.674 -5.766 1.00 96.54 82 A 1 ATOM 674 O OD1 . ASN A 1 82 ? 7.631 1.163 -4.665 1.00 89.70 82 A 1 ATOM 675 N ND2 . ASN A 1 82 ? 7.367 1.001 -6.830 1.00 89.37 82 A 1 ATOM 676 N N . GLU A 1 83 ? 7.900 6.338 -5.836 1.00 97.41 83 A 1 ATOM 677 C CA . GLU A 1 83 ? 8.413 7.707 -5.964 1.00 97.07 83 A 1 ATOM 678 C C . GLU A 1 83 ? 8.194 8.573 -4.709 1.00 96.67 83 A 1 ATOM 679 O O . GLU A 1 83 ? 8.819 9.629 -4.581 1.00 95.68 83 A 1 ATOM 680 C CB . GLU A 1 83 ? 7.784 8.379 -7.188 1.00 96.91 83 A 1 ATOM 681 C CG . GLU A 1 83 ? 8.352 7.845 -8.516 1.00 95.27 83 A 1 ATOM 682 C CD . GLU A 1 83 ? 7.711 8.500 -9.751 1.00 93.56 83 A 1 ATOM 683 O OE1 . GLU A 1 83 ? 8.280 8.329 -10.857 1.00 86.77 83 A 1 ATOM 684 O OE2 . GLU A 1 83 ? 6.652 9.156 -9.624 1.00 87.54 83 A 1 ATOM 685 N N . LEU A 1 84 ? 7.373 8.153 -3.747 1.00 96.87 84 A 1 ATOM 686 C CA . LEU A 1 84 ? 7.282 8.814 -2.436 1.00 96.47 84 A 1 ATOM 687 C C . LEU A 1 84 ? 8.577 8.694 -1.620 1.00 95.46 84 A 1 ATOM 688 O O . LEU A 1 84 ? 8.787 9.482 -0.699 1.00 94.76 84 A 1 ATOM 689 C CB . LEU A 1 84 ? 6.108 8.241 -1.626 1.00 97.20 84 A 1 ATOM 690 C CG . LEU A 1 84 ? 4.712 8.409 -2.242 1.00 97.16 84 A 1 ATOM 691 C CD1 . LEU A 1 84 ? 3.698 7.714 -1.333 1.00 96.76 84 A 1 ATOM 692 C CD2 . LEU A 1 84 ? 4.317 9.881 -2.376 1.00 96.72 84 A 1 ATOM 693 N N . ASN A 1 85 ? 9.450 7.747 -1.974 1.00 96.17 85 A 1 ATOM 694 C CA . ASN A 1 85 ? 10.773 7.604 -1.365 1.00 95.08 85 A 1 ATOM 695 C C . ASN A 1 85 ? 11.781 8.677 -1.817 1.00 94.56 85 A 1 ATOM 696 O O . ASN A 1 85 ? 12.878 8.762 -1.268 1.00 93.21 85 A 1 ATOM 697 C CB . ASN A 1 85 ? 11.290 6.189 -1.659 1.00 93.99 85 A 1 ATOM 698 C CG . ASN A 1 85 ? 12.486 5.820 -0.802 1.00 91.42 85 A 1 ATOM 699 O OD1 . ASN A 1 85 ? 13.589 5.635 -1.285 1.00 83.66 85 A 1 ATOM 700 N ND2 . ASN A 1 85 ? 12.308 5.705 0.490 1.00 82.61 85 A 1 ATOM 701 N N . LEU A 1 86 ? 11.432 9.502 -2.803 1.00 94.86 86 A 1 ATOM 702 C CA . LEU A 1 86 ? 12.239 10.631 -3.246 1.00 94.71 86 A 1 ATOM 703 C C . LEU A 1 86 ? 11.862 11.888 -2.456 1.00 94.25 86 A 1 ATOM 704 O O . LEU A 1 86 ? 10.679 12.216 -2.317 1.00 93.70 86 A 1 ATOM 705 C CB . LEU A 1 86 ? 12.051 10.857 -4.752 1.00 95.04 86 A 1 ATOM 706 C CG . LEU A 1 86 ? 12.469 9.672 -5.637 1.00 94.66 86 A 1 ATOM 707 C CD1 . LEU A 1 86 ? 12.000 9.910 -7.071 1.00 93.61 86 A 1 ATOM 708 C CD2 . LEU A 1 86 ? 13.982 9.494 -5.657 1.00 93.90 86 A 1 ATOM 709 N N . SER A 1 87 ? 12.861 12.627 -1.994 1.00 93.13 87 A 1 ATOM 710 C CA . SER A 1 87 ? 12.680 14.000 -1.520 1.00 92.74 87 A 1 ATOM 711 C C . SER A 1 87 ? 12.305 14.945 -2.669 1.00 93.55 87 A 1 ATOM 712 O O . SER A 1 87 ? 12.551 14.660 -3.843 1.00 93.85 87 A 1 ATOM 713 C CB . SER A 1 87 ? 13.951 14.479 -0.821 1.00 91.80 87 A 1 ATOM 714 O OG . SER A 1 87 ? 15.029 14.500 -1.729 1.00 89.72 87 A 1 ATOM 715 N N . GLN A 1 88 ? 11.756 16.126 -2.347 1.00 92.35 88 A 1 ATOM 716 C CA . GLN A 1 88 ? 11.506 17.150 -3.370 1.00 92.95 88 A 1 ATOM 717 C C . GLN A 1 88 ? 12.810 17.613 -4.032 1.00 93.63 88 A 1 ATOM 718 O O . GLN A 1 88 ? 12.846 17.849 -5.233 1.00 93.63 88 A 1 ATOM 719 C CB . GLN A 1 88 ? 10.732 18.320 -2.744 1.00 93.20 88 A 1 ATOM 720 C CG . GLN A 1 88 ? 10.223 19.318 -3.799 1.00 91.32 88 A 1 ATOM 721 C CD . GLN A 1 88 ? 9.260 18.672 -4.792 1.00 91.43 88 A 1 ATOM 722 O OE1 . GLN A 1 88 ? 8.317 17.985 -4.425 1.00 87.70 88 A 1 ATOM 723 N NE2 . GLN A 1 88 ? 9.472 18.838 -6.079 1.00 85.79 88 A 1 ATOM 724 N N . TYR A 1 89 ? 13.903 17.655 -3.274 1.00 90.85 89 A 1 ATOM 725 C CA . TYR A 1 89 ? 15.243 17.950 -3.790 1.00 91.18 89 A 1 ATOM 726 C C . TYR A 1 89 ? 15.669 16.994 -4.911 1.00 92.78 89 A 1 ATOM 727 O O . TYR A 1 89 ? 16.256 17.429 -5.904 1.00 93.01 89 A 1 ATOM 728 C CB . TYR A 1 89 ? 16.241 17.879 -2.627 1.00 90.68 89 A 1 ATOM 729 C CG . TYR A 1 89 ? 17.699 17.979 -3.027 1.00 90.20 89 A 1 ATOM 730 C CD1 . TYR A 1 89 ? 18.415 16.827 -3.414 1.00 87.53 89 A 1 ATOM 731 C CD2 . TYR A 1 89 ? 18.342 19.229 -3.033 1.00 87.68 89 A 1 ATOM 732 C CE1 . TYR A 1 89 ? 19.757 16.932 -3.836 1.00 86.77 89 A 1 ATOM 733 C CE2 . TYR A 1 89 ? 19.681 19.338 -3.450 1.00 86.45 89 A 1 ATOM 734 C CZ . TYR A 1 89 ? 20.384 18.191 -3.869 1.00 86.91 89 A 1 ATOM 735 O OH . TYR A 1 89 ? 21.662 18.305 -4.320 1.00 84.90 89 A 1 ATOM 736 N N . GLU A 1 90 ? 15.421 15.701 -4.746 1.00 92.62 90 A 1 ATOM 737 C CA . GLU A 1 90 ? 15.749 14.675 -5.741 1.00 93.40 90 A 1 ATOM 738 C C . GLU A 1 90 ? 14.841 14.785 -6.970 1.00 94.71 90 A 1 ATOM 739 O O . GLU A 1 90 ? 15.337 14.784 -8.098 1.00 94.76 90 A 1 ATOM 740 C CB . GLU A 1 90 ? 15.634 13.287 -5.097 1.00 92.97 90 A 1 ATOM 741 C CG . GLU A 1 90 ? 16.775 12.982 -4.117 1.00 91.77 90 A 1 ATOM 742 C CD . GLU A 1 90 ? 16.459 11.747 -3.264 1.00 91.28 90 A 1 ATOM 743 O OE1 . GLU A 1 90 ? 17.211 10.752 -3.315 1.00 86.07 90 A 1 ATOM 744 O OE2 . GLU A 1 90 ? 15.426 11.797 -2.561 1.00 86.57 90 A 1 ATOM 745 N N . VAL A 1 91 ? 13.536 14.984 -6.759 1.00 94.25 91 A 1 ATOM 746 C CA . VAL A 1 91 ? 12.556 15.158 -7.843 1.00 95.14 91 A 1 ATOM 747 C C . VAL A 1 91 ? 12.910 16.350 -8.733 1.00 95.98 91 A 1 ATOM 748 O O . VAL A 1 91 ? 12.953 16.209 -9.952 1.00 95.70 91 A 1 ATOM 749 C CB . VAL A 1 91 ? 11.134 15.306 -7.268 1.00 95.09 91 A 1 ATOM 750 C CG1 . VAL A 1 91 ? 10.096 15.657 -8.339 1.00 93.36 91 A 1 ATOM 751 C CG2 . VAL A 1 91 ? 10.682 13.995 -6.616 1.00 93.13 91 A 1 ATOM 752 N N . ASP A 1 92 ? 13.231 17.498 -8.144 1.00 95.21 92 A 1 ATOM 753 C CA . ASP A 1 92 ? 13.579 18.720 -8.887 1.00 95.45 92 A 1 ATOM 754 C C . ASP A 1 92 ? 14.860 18.568 -9.729 1.00 95.85 92 A 1 ATOM 755 O O . ASP A 1 92 ? 15.115 19.354 -10.640 1.00 95.08 92 A 1 ATOM 756 C CB . ASP A 1 92 ? 13.749 19.891 -7.901 1.00 95.27 92 A 1 ATOM 757 C CG . ASP A 1 92 ? 12.463 20.362 -7.218 1.00 94.65 92 A 1 ATOM 758 O OD1 . ASP A 1 92 ? 11.351 19.943 -7.612 1.00 92.00 92 A 1 ATOM 759 O OD2 . ASP A 1 92 ? 12.593 21.182 -6.276 1.00 92.29 92 A 1 ATOM 760 N N . ARG A 1 93 ? 15.673 17.548 -9.426 1.00 95.19 93 A 1 ATOM 761 C CA . ARG A 1 93 ? 16.907 17.210 -10.151 1.00 94.99 93 A 1 ATOM 762 C C . ARG A 1 93 ? 16.748 16.042 -11.117 1.00 95.45 93 A 1 ATOM 763 O O . ARG A 1 93 ? 17.728 15.651 -11.747 1.00 94.33 93 A 1 ATOM 764 C CB . ARG A 1 93 ? 18.030 16.965 -9.138 1.00 94.44 93 A 1 ATOM 765 C CG . ARG A 1 93 ? 18.469 18.287 -8.525 1.00 92.20 93 A 1 ATOM 766 C CD . ARG A 1 93 ? 19.405 18.062 -7.341 1.00 88.99 93 A 1 ATOM 767 N NE . ARG A 1 93 ? 19.880 19.347 -6.806 1.00 83.09 93 A 1 ATOM 768 C CZ . ARG A 1 93 ? 19.126 20.267 -6.221 1.00 76.66 93 A 1 ATOM 769 N NH1 . ARG A 1 93 ? 17.857 20.081 -5.990 1.00 69.25 93 A 1 ATOM 770 N NH2 . ARG A 1 93 ? 19.643 21.403 -5.872 1.00 70.41 93 A 1 ATOM 771 N N . GLY A 1 94 ? 15.548 15.510 -11.249 1.00 95.39 94 A 1 ATOM 772 C CA . GLY A 1 94 ? 15.282 14.351 -12.099 1.00 95.41 94 A 1 ATOM 773 C C . GLY A 1 94 ? 15.929 13.053 -11.608 1.00 95.71 94 A 1 ATOM 774 O O . GLY A 1 94 ? 16.130 12.145 -12.411 1.00 94.30 94 A 1 ATOM 775 N N . ILE A 1 95 ? 16.273 12.967 -10.321 1.00 94.94 95 A 1 ATOM 776 C CA . ILE A 1 95 ? 16.790 11.741 -9.705 1.00 94.66 95 A 1 ATOM 777 C C . ILE A 1 95 ? 15.632 10.746 -9.578 1.00 95.07 95 A 1 ATOM 778 O O . ILE A 1 95 ? 14.539 11.101 -9.138 1.00 94.50 95 A 1 ATOM 779 C CB . ILE A 1 95 ? 17.464 12.053 -8.349 1.00 93.83 95 A 1 ATOM 780 C CG1 . ILE A 1 95 ? 18.692 12.972 -8.561 1.00 92.33 95 A 1 ATOM 781 C CG2 . ILE A 1 95 ? 17.881 10.765 -7.615 1.00 92.40 95 A 1 ATOM 782 C CD1 . ILE A 1 95 ? 19.329 13.500 -7.274 1.00 87.50 95 A 1 ATOM 783 N N . THR A 1 96 ? 15.874 9.498 -9.960 1.00 94.65 96 A 1 ATOM 784 C CA . THR A 1 96 ? 14.896 8.406 -9.864 1.00 94.53 96 A 1 ATOM 785 C C . THR A 1 96 ? 15.183 7.509 -8.661 1.00 94.23 96 A 1 ATOM 786 O O . THR A 1 96 ? 16.262 7.560 -8.080 1.00 93.03 96 A 1 ATOM 787 C CB . THR A 1 96 ? 14.846 7.584 -11.157 1.00 94.57 96 A 1 ATOM 788 O OG1 . THR A 1 96 ? 16.062 6.910 -11.368 1.00 92.60 96 A 1 ATOM 789 C CG2 . THR A 1 96 ? 14.566 8.443 -12.391 1.00 90.83 96 A 1 ATOM 790 N N . VAL A 1 97 ? 14.221 6.668 -8.285 1.00 94.29 97 A 1 ATOM 791 C CA . VAL A 1 97 ? 14.381 5.730 -7.154 1.00 93.55 97 A 1 ATOM 792 C C . VAL A 1 97 ? 15.543 4.749 -7.350 1.00 93.11 97 A 1 ATOM 793 O O . VAL A 1 97 ? 16.192 4.393 -6.373 1.00 90.35 97 A 1 ATOM 794 C CB . VAL A 1 97 ? 13.078 4.965 -6.855 1.00 92.42 97 A 1 ATOM 795 C CG1 . VAL A 1 97 ? 11.999 5.933 -6.342 1.00 84.44 97 A 1 ATOM 796 C CG2 . VAL A 1 97 ? 12.519 4.214 -8.067 1.00 85.51 97 A 1 ATOM 797 N N . ASP A 1 98 ? 15.848 4.406 -8.602 1.00 93.33 98 A 1 ATOM 798 C CA . ASP A 1 98 ? 16.910 3.466 -8.990 1.00 92.64 98 A 1 ATOM 799 C C . ASP A 1 98 ? 18.243 4.161 -9.335 1.00 93.22 98 A 1 ATOM 800 O O . ASP A 1 98 ? 19.171 3.521 -9.834 1.00 90.78 98 A 1 ATOM 801 C CB . ASP A 1 98 ? 16.417 2.609 -10.168 1.00 91.23 98 A 1 ATOM 802 C CG . ASP A 1 98 ? 15.114 1.868 -9.868 1.00 87.42 98 A 1 ATOM 803 O OD1 . ASP A 1 98 ? 15.033 1.226 -8.800 1.00 81.69 98 A 1 ATOM 804 O OD2 . ASP A 1 98 ? 14.198 1.966 -10.715 1.00 83.10 98 A 1 ATOM 805 N N . ASP A 1 99 ? 18.357 5.477 -9.107 1.00 92.96 99 A 1 ATOM 806 C CA . ASP A 1 99 ? 19.566 6.234 -9.424 1.00 92.86 99 A 1 ATOM 807 C C . ASP A 1 99 ? 20.739 5.789 -8.535 1.00 92.35 99 A 1 ATOM 808 O O . ASP A 1 99 ? 20.694 5.875 -7.303 1.00 89.68 99 A 1 ATOM 809 C CB . ASP A 1 99 ? 19.292 7.738 -9.315 1.00 92.31 99 A 1 ATOM 810 C CG . ASP A 1 99 ? 20.390 8.586 -9.955 1.00 91.10 99 A 1 ATOM 811 O OD1 . ASP A 1 99 ? 21.582 8.318 -9.688 1.00 85.09 99 A 1 ATOM 812 O OD2 . ASP A 1 99 ? 20.038 9.513 -10.718 1.00 85.94 99 A 1 ATOM 813 N N . SER A 1 100 ? 21.823 5.349 -9.173 1.00 92.09 100 A 1 ATOM 814 C CA . SER A 1 100 ? 23.022 4.853 -8.490 1.00 90.16 100 A 1 ATOM 815 C C . SER A 1 100 ? 23.772 5.919 -7.683 1.00 88.80 100 A 1 ATOM 816 O O . SER A 1 100 ? 24.635 5.576 -6.878 1.00 84.84 100 A 1 ATOM 817 C CB . SER A 1 100 ? 23.969 4.220 -9.512 1.00 90.08 100 A 1 ATOM 818 O OG . SER A 1 100 ? 24.385 5.170 -10.481 1.00 84.06 100 A 1 ATOM 819 N N . SER A 1 101 ? 23.473 7.208 -7.895 1.00 89.72 101 A 1 ATOM 820 C CA . SER A 1 101 ? 24.026 8.308 -7.099 1.00 86.50 101 A 1 ATOM 821 C C . SER A 1 101 ? 23.390 8.436 -5.712 1.00 86.67 101 A 1 ATOM 822 O O . SER A 1 101 ? 23.966 9.085 -4.834 1.00 83.46 101 A 1 ATOM 823 C CB . SER A 1 101 ? 23.912 9.631 -7.859 1.00 85.60 101 A 1 ATOM 824 O OG . SER A 1 101 ? 22.576 10.077 -7.945 1.00 81.76 101 A 1 ATOM 825 N N . ARG A 1 102 ? 22.224 7.804 -5.498 1.00 87.60 102 A 1 ATOM 826 C CA . ARG A 1 102 ? 21.558 7.811 -4.194 1.00 86.90 102 A 1 ATOM 827 C C . ARG A 1 102 ? 22.347 6.971 -3.184 1.00 85.26 102 A 1 ATOM 828 O O . ARG A 1 102 ? 22.836 5.892 -3.523 1.00 82.20 102 A 1 ATOM 829 C CB . ARG A 1 102 ? 20.110 7.312 -4.307 1.00 86.91 102 A 1 ATOM 830 C CG . ARG A 1 102 ? 19.259 8.210 -5.213 1.00 86.18 102 A 1 ATOM 831 C CD . ARG A 1 102 ? 17.801 7.749 -5.227 1.00 85.93 102 A 1 ATOM 832 N NE . ARG A 1 102 ? 17.094 8.172 -4.006 1.00 85.11 102 A 1 ATOM 833 C CZ . ARG A 1 102 ? 16.080 7.580 -3.409 1.00 86.52 102 A 1 ATOM 834 N NH1 . ARG A 1 102 ? 15.583 6.446 -3.814 1.00 80.96 102 A 1 ATOM 835 N NH2 . ARG A 1 102 ? 15.537 8.142 -2.378 1.00 79.99 102 A 1 ATOM 836 N N . PRO A 1 103 ? 22.462 7.422 -1.931 1.00 83.37 103 A 1 ATOM 837 C CA . PRO A 1 103 ? 23.082 6.610 -0.897 1.00 79.93 103 A 1 ATOM 838 C C . PRO A 1 103 ? 22.250 5.347 -0.640 1.00 80.57 103 A 1 ATOM 839 O O . PRO A 1 103 ? 21.024 5.378 -0.692 1.00 76.89 103 A 1 ATOM 840 C CB . PRO A 1 103 ? 23.173 7.520 0.329 1.00 77.26 103 A 1 ATOM 841 C CG . PRO A 1 103 ? 21.999 8.479 0.138 1.00 77.17 103 A 1 ATOM 842 C CD . PRO A 1 103 ? 21.916 8.650 -1.373 1.00 80.50 103 A 1 ATOM 843 N N . ALA A 1 104 ? 22.921 4.246 -0.300 1.00 76.88 104 A 1 ATOM 844 C CA . ALA A 1 104 ? 22.255 2.972 -0.001 1.00 74.44 104 A 1 ATOM 845 C C . ALA A 1 104 ? 21.288 3.051 1.198 1.00 75.16 104 A 1 ATOM 846 O O . ALA A 1 104 ? 20.389 2.225 1.332 1.00 69.90 104 A 1 ATOM 847 C CB . ALA A 1 104 ? 23.343 1.916 0.238 1.00 70.96 104 A 1 ATOM 848 N N . TRP A 1 105 ? 21.501 4.036 2.075 1.00 70.75 105 A 1 ATOM 849 C CA . TRP A 1 105 ? 20.646 4.324 3.221 1.00 69.68 105 A 1 ATOM 850 C C . TRP A 1 105 ? 20.793 5.792 3.626 1.00 69.86 105 A 1 ATOM 851 O O . TRP A 1 105 ? 21.840 6.403 3.436 1.00 66.30 105 A 1 ATOM 852 C CB . TRP A 1 105 ? 21.007 3.386 4.383 1.00 66.50 105 A 1 ATOM 853 C CG . TRP A 1 105 ? 22.475 3.310 4.709 1.00 61.59 105 A 1 ATOM 854 C CD1 . TRP A 1 105 ? 23.339 2.390 4.221 1.00 53.86 105 A 1 ATOM 855 C CD2 . TRP A 1 105 ? 23.269 4.186 5.562 1.00 57.64 105 A 1 ATOM 856 N NE1 . TRP A 1 105 ? 24.610 2.632 4.706 1.00 47.99 105 A 1 ATOM 857 C CE2 . TRP A 1 105 ? 24.624 3.730 5.541 1.00 53.15 105 A 1 ATOM 858 C CE3 . TRP A 1 105 ? 22.983 5.316 6.362 1.00 51.19 105 A 1 ATOM 859 C CZ2 . TRP A 1 105 ? 25.639 4.370 6.266 1.00 50.64 105 A 1 ATOM 860 C CZ3 . TRP A 1 105 ? 23.999 5.963 7.093 1.00 46.40 105 A 1 ATOM 861 C CH2 . TRP A 1 105 ? 25.318 5.491 7.043 1.00 45.88 105 A 1 ATOM 862 N N . VAL A 1 106 ? 19.735 6.349 4.225 1.00 70.31 106 A 1 ATOM 863 C CA . VAL A 1 106 ? 19.734 7.681 4.841 1.00 68.83 106 A 1 ATOM 864 C C . VAL A 1 106 ? 19.150 7.540 6.241 1.00 68.74 106 A 1 ATOM 865 O O . VAL A 1 106 ? 18.124 6.891 6.421 1.00 66.18 106 A 1 ATOM 866 C CB . VAL A 1 106 ? 18.940 8.702 4.001 1.00 65.72 106 A 1 ATOM 867 C CG1 . VAL A 1 106 ? 18.940 10.097 4.648 1.00 59.77 106 A 1 ATOM 868 C CG2 . VAL A 1 106 ? 19.530 8.856 2.591 1.00 60.21 106 A 1 ATOM 869 N N . ILE A 1 107 ? 19.813 8.136 7.228 1.00 63.78 107 A 1 ATOM 870 C CA . ILE A 1 107 ? 19.252 8.237 8.578 1.00 62.76 107 A 1 ATOM 871 C C . ILE A 1 107 ? 18.416 9.517 8.613 1.00 62.73 107 A 1 ATOM 872 O O . ILE A 1 107 ? 18.962 10.620 8.599 1.00 58.17 107 A 1 ATOM 873 C CB . ILE A 1 107 ? 20.351 8.193 9.663 1.00 59.11 107 A 1 ATOM 874 C CG1 . ILE A 1 107 ? 21.164 6.880 9.559 1.00 54.08 107 A 1 ATOM 875 C CG2 . ILE A 1 107 ? 19.711 8.330 11.059 1.00 53.46 107 A 1 ATOM 876 C CD1 . ILE A 1 107 ? 22.328 6.770 10.554 1.00 49.76 107 A 1 ATOM 877 N N . GLY A 1 108 ? 17.097 9.367 8.635 1.00 59.28 108 A 1 ATOM 878 C CA . GLY A 1 108 ? 16.148 10.460 8.820 1.00 58.48 108 A 1 ATOM 879 C C . GLY A 1 108 ? 15.542 10.440 10.220 1.00 58.47 108 A 1 ATOM 880 O O . GLY A 1 108 ? 15.327 9.372 10.790 1.00 55.07 108 A 1 ATOM 881 N N . GLY A 1 109 ? 15.254 11.620 10.753 1.00 53.74 109 A 1 ATOM 882 C CA . GLY A 1 109 ? 14.568 11.813 12.029 1.00 53.65 109 A 1 ATOM 883 C C . GLY A 1 109 ? 15.454 11.577 13.254 1.00 53.77 109 A 1 ATOM 884 O O . GLY A 1 109 ? 16.073 10.531 13.412 1.00 50.72 109 A 1 ATOM 885 N N . THR A 1 110 ? 15.491 12.547 14.164 1.00 49.63 110 A 1 ATOM 886 C CA . THR A 1 110 ? 16.144 12.397 15.468 1.00 49.32 110 A 1 ATOM 887 C C . THR A 1 110 ? 15.122 12.614 16.577 1.00 49.92 110 A 1 ATOM 888 O O . THR A 1 110 ? 14.241 13.464 16.487 1.00 46.43 110 A 1 ATOM 889 C CB . THR A 1 110 ? 17.359 13.320 15.640 1.00 45.76 110 A 1 ATOM 890 O OG1 . THR A 1 110 ? 16.959 14.659 15.666 1.00 41.74 110 A 1 ATOM 891 C CG2 . THR A 1 110 ? 18.408 13.156 14.541 1.00 40.71 110 A 1 ATOM 892 N N . SER A 1 111 ? 15.256 11.857 17.662 1.00 45.12 111 A 1 ATOM 893 C CA . SER A 1 111 ? 14.463 12.060 18.879 1.00 44.94 111 A 1 ATOM 894 C C . SER A 1 111 ? 14.752 13.392 19.584 1.00 44.66 111 A 1 ATOM 895 O O . SER A 1 111 ? 14.063 13.742 20.537 1.00 41.42 111 A 1 ATOM 896 C CB . SER A 1 111 ? 14.700 10.895 19.845 1.00 40.23 111 A 1 ATOM 897 O OG . SER A 1 111 ? 16.086 10.730 20.083 1.00 35.99 111 A 1 ATOM 898 N N . THR A 1 112 ? 15.765 14.141 19.120 1.00 48.49 112 A 1 ATOM 899 C CA . THR A 1 112 ? 16.169 15.447 19.663 1.00 49.90 112 A 1 ATOM 900 C C . THR A 1 112 ? 15.423 16.632 19.041 1.00 50.62 112 A 1 ATOM 901 O O . THR A 1 112 ? 15.628 17.760 19.469 1.00 47.47 112 A 1 ATOM 902 C CB . THR A 1 112 ? 17.686 15.641 19.524 1.00 47.18 112 A 1 ATOM 903 O OG1 . THR A 1 112 ? 18.094 15.444 18.192 1.00 43.00 112 A 1 ATOM 904 C CG2 . THR A 1 112 ? 18.456 14.619 20.368 1.00 43.10 112 A 1 ATOM 905 N N . GLY A 1 113 ? 14.534 16.390 18.056 1.00 50.13 113 A 1 ATOM 906 C CA . GLY A 1 113 ? 13.756 17.441 17.385 1.00 50.40 113 A 1 ATOM 907 C C . GLY A 1 113 ? 14.445 18.080 16.177 1.00 51.99 113 A 1 ATOM 908 O O . GLY A 1 113 ? 13.846 18.931 15.522 1.00 49.61 113 A 1 ATOM 909 N N . ASP A 1 114 ? 15.656 17.643 15.837 1.00 51.37 114 A 1 ATOM 910 C CA . ASP A 1 114 ? 16.318 18.038 14.596 1.00 52.89 114 A 1 ATOM 911 C C . ASP A 1 114 ? 15.770 17.191 13.445 1.00 53.55 114 A 1 ATOM 912 O O . ASP A 1 114 ? 16.180 16.050 13.223 1.00 50.53 114 A 1 ATOM 913 C CB . ASP A 1 114 ? 17.842 17.915 14.722 1.00 50.34 114 A 1 ATOM 914 C CG . ASP A 1 114 ? 18.454 18.911 15.708 1.00 46.90 114 A 1 ATOM 915 O OD1 . ASP A 1 114 ? 18.009 20.082 15.704 1.00 43.65 114 A 1 ATOM 916 O OD2 . ASP A 1 114 ? 19.393 18.501 16.424 1.00 42.87 114 A 1 ATOM 917 N N . HIS A 1 115 ? 14.819 17.754 12.711 1.00 59.14 115 A 1 ATOM 918 C CA . HIS A 1 115 ? 14.238 17.129 11.528 1.00 60.05 115 A 1 ATOM 919 C C . HIS A 1 115 ? 14.884 17.675 10.256 1.00 62.71 115 A 1 ATOM 920 O O . HIS A 1 115 ? 15.302 18.834 10.187 1.00 60.03 115 A 1 ATOM 921 C CB . HIS A 1 115 ? 12.716 17.314 11.534 1.00 54.75 115 A 1 ATOM 922 C CG . HIS A 1 115 ? 12.062 16.648 12.723 1.00 49.47 115 A 1 ATOM 923 N ND1 . HIS A 1 115 ? 11.942 15.295 12.934 1.00 44.86 115 A 1 ATOM 924 C CD2 . HIS A 1 115 ? 11.530 17.274 13.823 1.00 43.51 115 A 1 ATOM 925 C CE1 . HIS A 1 115 ? 11.350 15.111 14.128 1.00 40.01 115 A 1 ATOM 926 N NE2 . HIS A 1 115 ? 11.078 16.287 14.705 1.00 40.22 115 A 1 ATOM 927 N N . LEU A 1 116 ? 14.938 16.837 9.220 1.00 63.11 116 A 1 ATOM 928 C CA . LEU A 1 116 ? 15.259 17.307 7.879 1.00 64.97 116 A 1 ATOM 929 C C . LEU A 1 116 ? 14.267 18.406 7.486 1.00 69.28 116 A 1 ATOM 930 O O . LEU A 1 116 ? 13.077 18.331 7.785 1.00 66.58 116 A 1 ATOM 931 C CB . LEU A 1 116 ? 15.222 16.141 6.872 1.00 59.85 116 A 1 ATOM 932 C CG . LEU A 1 116 ? 16.348 15.105 7.034 1.00 54.86 116 A 1 ATOM 933 C CD1 . LEU A 1 116 ? 16.118 13.932 6.080 1.00 51.73 116 A 1 ATOM 934 C CD2 . LEU A 1 116 ? 17.727 15.700 6.730 1.00 51.60 116 A 1 ATOM 935 N N . LYS A 1 117 ? 14.755 19.431 6.794 1.00 72.04 117 A 1 ATOM 936 C CA . LYS A 1 117 ? 13.847 20.398 6.170 1.00 74.69 117 A 1 ATOM 937 C C . LYS A 1 117 ? 12.943 19.642 5.200 1.00 79.26 117 A 1 ATOM 938 O O . LYS A 1 117 ? 13.456 18.822 4.448 1.00 78.29 117 A 1 ATOM 939 C CB . LYS A 1 117 ? 14.627 21.488 5.422 1.00 70.06 117 A 1 ATOM 940 C CG . LYS A 1 117 ? 15.432 22.395 6.362 1.00 62.26 117 A 1 ATOM 941 C CD . LYS A 1 117 ? 16.143 23.487 5.549 1.00 57.54 117 A 1 ATOM 942 C CE . LYS A 1 117 ? 16.951 24.391 6.483 1.00 52.16 117 A 1 ATOM 943 N NZ . LYS A 1 117 ? 17.684 25.438 5.729 1.00 43.94 117 A 1 ATOM 944 N N . GLU A 1 118 ? 11.667 20.010 5.149 1.00 82.66 118 A 1 ATOM 945 C CA . GLU A 1 118 ? 10.633 19.408 4.284 1.00 84.54 118 A 1 ATOM 946 C C . GLU A 1 118 ? 11.125 19.139 2.847 1.00 85.92 118 A 1 ATOM 947 O O . GLU A 1 118 ? 10.859 18.089 2.281 1.00 84.31 118 A 1 ATOM 948 C CB . GLU A 1 118 ? 9.415 20.364 4.285 1.00 82.96 118 A 1 ATOM 949 C CG . GLU A 1 118 ? 8.194 19.885 3.475 1.00 76.26 118 A 1 ATOM 950 C CD . GLU A 1 118 ? 6.996 20.867 3.508 1.00 74.62 118 A 1 ATOM 951 O OE1 . GLU A 1 118 ? 6.100 20.780 2.630 1.00 67.64 118 A 1 ATOM 952 O OE2 . GLU A 1 118 ? 6.939 21.733 4.409 1.00 69.67 118 A 1 ATOM 953 N N . TYR A 1 119 ? 11.924 20.041 2.290 1.00 86.77 119 A 1 ATOM 954 C CA . TYR A 1 119 ? 12.479 19.920 0.938 1.00 87.90 119 A 1 ATOM 955 C C . TYR A 1 119 ? 13.407 18.703 0.730 1.00 88.27 119 A 1 ATOM 956 O O . TYR A 1 119 ? 13.511 18.194 -0.384 1.00 87.05 119 A 1 ATOM 957 C CB . TYR A 1 119 ? 13.223 21.221 0.621 1.00 88.44 119 A 1 ATOM 958 C CG . TYR A 1 119 ? 13.732 21.314 -0.804 1.00 89.39 119 A 1 ATOM 959 C CD1 . TYR A 1 119 ? 15.118 21.336 -1.072 1.00 85.86 119 A 1 ATOM 960 C CD2 . TYR A 1 119 ? 12.814 21.368 -1.866 1.00 86.67 119 A 1 ATOM 961 C CE1 . TYR A 1 119 ? 15.583 21.420 -2.399 1.00 86.59 119 A 1 ATOM 962 C CE2 . TYR A 1 119 ? 13.275 21.446 -3.195 1.00 87.19 119 A 1 ATOM 963 C CZ . TYR A 1 119 ? 14.658 21.474 -3.465 1.00 89.77 119 A 1 ATOM 964 O OH . TYR A 1 119 ? 15.105 21.546 -4.749 1.00 88.27 119 A 1 ATOM 965 N N . TYR A 1 120 ? 14.102 18.243 1.777 1.00 87.15 120 A 1 ATOM 966 C CA . TYR A 1 120 ? 15.018 17.097 1.744 1.00 86.71 120 A 1 ATOM 967 C C . TYR A 1 120 ? 14.413 15.832 2.357 1.00 87.36 120 A 1 ATOM 968 O O . TYR A 1 120 ? 15.077 14.800 2.371 1.00 85.96 120 A 1 ATOM 969 C CB . TYR A 1 120 ? 16.323 17.461 2.465 1.00 86.26 120 A 1 ATOM 970 C CG . TYR A 1 120 ? 17.038 18.668 1.894 1.00 85.74 120 A 1 ATOM 971 C CD1 . TYR A 1 120 ? 17.688 18.572 0.647 1.00 83.02 120 A 1 ATOM 972 C CD2 . TYR A 1 120 ? 17.056 19.883 2.603 1.00 83.61 120 A 1 ATOM 973 C CE1 . TYR A 1 120 ? 18.353 19.691 0.108 1.00 81.97 120 A 1 ATOM 974 C CE2 . TYR A 1 120 ? 17.720 21.005 2.070 1.00 81.89 120 A 1 ATOM 975 C CZ . TYR A 1 120 ? 18.369 20.907 0.819 1.00 82.88 120 A 1 ATOM 976 O OH . TYR A 1 120 ? 19.007 21.994 0.296 1.00 80.25 120 A 1 ATOM 977 N N . ASP A 1 121 ? 13.199 15.923 2.874 1.00 89.34 121 A 1 ATOM 978 C CA . ASP A 1 121 ? 12.513 14.824 3.539 1.00 90.01 121 A 1 ATOM 979 C C . ASP A 1 121 ? 11.708 13.982 2.534 1.00 91.08 121 A 1 ATOM 980 O O . ASP A 1 121 ? 11.333 14.450 1.454 1.00 90.98 121 A 1 ATOM 981 C CB . ASP A 1 121 ? 11.656 15.399 4.676 1.00 88.73 121 A 1 ATOM 982 C CG . ASP A 1 121 ? 11.291 14.376 5.749 1.00 86.62 121 A 1 ATOM 983 O OD1 . ASP A 1 121 ? 11.820 13.242 5.684 1.00 84.18 121 A 1 ATOM 984 O OD2 . ASP A 1 121 ? 10.501 14.762 6.641 1.00 82.96 121 A 1 ATOM 985 N N . PHE A 1 122 ? 11.476 12.715 2.869 1.00 91.63 122 A 1 ATOM 986 C CA . PHE A 1 122 ? 10.817 11.727 2.014 1.00 92.07 122 A 1 ATOM 987 C C . PHE A 1 122 ? 10.123 10.662 2.868 1.00 92.97 122 A 1 ATOM 988 O O . PHE A 1 122 ? 10.358 10.559 4.071 1.00 92.65 122 A 1 ATOM 989 C CB . PHE A 1 122 ? 11.850 11.091 1.064 1.00 90.83 122 A 1 ATOM 990 C CG . PHE A 1 122 ? 12.987 10.345 1.743 1.00 90.09 122 A 1 ATOM 991 C CD1 . PHE A 1 122 ? 14.173 11.023 2.081 1.00 88.27 122 A 1 ATOM 992 C CD2 . PHE A 1 122 ? 12.856 8.981 2.059 1.00 88.21 122 A 1 ATOM 993 C CE1 . PHE A 1 122 ? 15.209 10.345 2.737 1.00 85.71 122 A 1 ATOM 994 C CE2 . PHE A 1 122 ? 13.891 8.302 2.718 1.00 85.91 122 A 1 ATOM 995 C CZ . PHE A 1 122 ? 15.068 8.987 3.064 1.00 85.30 122 A 1 ATOM 996 N N . ILE A 1 123 ? 9.285 9.842 2.247 1.00 93.28 123 A 1 ATOM 997 C CA . ILE A 1 123 ? 8.609 8.736 2.930 1.00 94.26 123 A 1 ATOM 998 C C . ILE A 1 123 ? 9.486 7.477 2.857 1.00 93.89 123 A 1 ATOM 999 O O . ILE A 1 123 ? 9.848 7.022 1.772 1.00 93.22 123 A 1 ATOM 1000 C CB . ILE A 1 123 ? 7.190 8.515 2.359 1.00 95.26 123 A 1 ATOM 1001 C CG1 . ILE A 1 123 ? 6.342 9.801 2.536 1.00 95.12 123 A 1 ATOM 1002 C CG2 . ILE A 1 123 ? 6.517 7.314 3.043 1.00 94.86 123 A 1 ATOM 1003 C CD1 . ILE A 1 123 ? 4.894 9.688 2.040 1.00 94.94 123 A 1 ATOM 1004 N N . ASP A 1 124 ? 9.773 6.881 4.012 1.00 93.91 124 A 1 ATOM 1005 C CA . ASP A 1 124 ? 10.275 5.505 4.082 1.00 94.17 124 A 1 ATOM 1006 C C . ASP A 1 124 ? 9.148 4.550 3.657 1.00 95.31 124 A 1 ATOM 1007 O O . ASP A 1 124 ? 8.136 4.397 4.351 1.00 95.44 124 A 1 ATOM 1008 C CB . ASP A 1 124 ? 10.809 5.215 5.496 1.00 93.03 124 A 1 ATOM 1009 C CG . ASP A 1 124 ? 11.331 3.781 5.707 1.00 91.73 124 A 1 ATOM 1010 O OD1 . ASP A 1 124 ? 10.810 2.839 5.069 1.00 89.34 124 A 1 ATOM 1011 O OD2 . ASP A 1 124 ? 12.186 3.608 6.599 1.00 87.30 124 A 1 ATOM 1012 N N . ILE A 1 125 ? 9.314 3.926 2.493 1.00 94.81 125 A 1 ATOM 1013 C CA . ILE A 1 125 ? 8.307 3.056 1.874 1.00 95.59 125 A 1 ATOM 1014 C C . ILE A 1 125 ? 8.040 1.807 2.715 1.00 96.67 125 A 1 ATOM 1015 O O . ILE A 1 125 ? 6.884 1.416 2.871 1.00 96.45 125 A 1 ATOM 1016 C CB . ILE A 1 125 ? 8.736 2.693 0.435 1.00 94.33 125 A 1 ATOM 1017 C CG1 . ILE A 1 125 ? 8.807 3.937 -0.474 1.00 87.98 125 A 1 ATOM 1018 C CG2 . ILE A 1 125 ? 7.826 1.634 -0.205 1.00 85.11 125 A 1 ATOM 1019 C CD1 . ILE A 1 125 ? 7.509 4.732 -0.617 1.00 80.78 125 A 1 ATOM 1020 N N . ASP A 1 126 ? 9.073 1.204 3.297 1.00 95.29 126 A 1 ATOM 1021 C CA . ASP A 1 126 ? 8.892 0.007 4.115 1.00 95.09 126 A 1 ATOM 1022 C C . ASP A 1 126 ? 8.175 0.341 5.432 1.00 96.02 126 A 1 ATOM 1023 O O . ASP A 1 126 ? 7.293 -0.399 5.875 1.00 95.84 126 A 1 ATOM 1024 C CB . ASP A 1 126 ? 10.246 -0.661 4.390 1.00 93.81 126 A 1 ATOM 1025 C CG . ASP A 1 126 ? 10.909 -1.282 3.156 1.00 88.92 126 A 1 ATOM 1026 O OD1 . ASP A 1 126 ? 10.177 -1.707 2.227 1.00 85.09 126 A 1 ATOM 1027 O OD2 . ASP A 1 126 ? 12.153 -1.387 3.178 1.00 82.84 126 A 1 ATOM 1028 N N . ALA A 1 127 ? 8.491 1.487 6.047 1.00 95.61 127 A 1 ATOM 1029 C CA . ALA A 1 127 ? 7.746 1.987 7.198 1.00 95.57 127 A 1 ATOM 1030 C C . ALA A 1 127 ? 6.294 2.327 6.828 1.00 96.69 127 A 1 ATOM 1031 O O . ALA A 1 127 ? 5.380 1.998 7.585 1.00 96.93 127 A 1 ATOM 1032 C CB . ALA A 1 127 ? 8.477 3.195 7.794 1.00 94.54 127 A 1 ATOM 1033 N N . CYS A 1 128 ? 6.066 2.909 5.657 1.00 95.99 128 A 1 ATOM 1034 C CA . CYS A 1 128 ? 4.730 3.221 5.158 1.00 96.93 128 A 1 ATOM 1035 C C . CYS A 1 128 ? 3.884 1.949 4.984 1.00 97.33 128 A 1 ATOM 1036 O O . CYS A 1 128 ? 2.773 1.874 5.511 1.00 97.46 128 A 1 ATOM 1037 C CB . CYS A 1 128 ? 4.874 4.017 3.855 1.00 97.47 128 A 1 ATOM 1038 S SG . CYS A 1 128 ? 3.276 4.728 3.380 1.00 97.28 128 A 1 ATOM 1039 N N . VAL A 1 129 ? 4.436 0.914 4.340 1.00 97.14 129 A 1 ATOM 1040 C CA . VAL A 1 129 ? 3.772 -0.393 4.194 1.00 97.15 129 A 1 ATOM 1041 C C . VAL A 1 129 ? 3.453 -1.011 5.556 1.00 96.94 129 A 1 ATOM 1042 O O . VAL A 1 129 ? 2.328 -1.470 5.768 1.00 96.54 129 A 1 ATOM 1043 C CB . VAL A 1 129 ? 4.634 -1.349 3.345 1.00 97.02 129 A 1 ATOM 1044 C CG1 . VAL A 1 129 ? 4.091 -2.785 3.355 1.00 95.81 129 A 1 ATOM 1045 C CG2 . VAL A 1 129 ? 4.678 -0.889 1.882 1.00 95.59 129 A 1 ATOM 1046 N N . ARG A 1 130 ? 4.397 -0.986 6.509 1.00 96.58 130 A 1 ATOM 1047 C CA . ARG A 1 130 ? 4.162 -1.479 7.878 1.00 96.07 130 A 1 ATOM 1048 C C . ARG A 1 130 ? 3.018 -0.740 8.570 1.00 96.07 130 A 1 ATOM 1049 O O . ARG A 1 130 ? 2.159 -1.386 9.165 1.00 95.72 130 A 1 ATOM 1050 C CB . ARG A 1 130 ? 5.433 -1.369 8.733 1.00 95.37 130 A 1 ATOM 1051 C CG . ARG A 1 130 ? 6.470 -2.451 8.402 1.00 87.69 130 A 1 ATOM 1052 C CD . ARG A 1 130 ? 7.639 -2.445 9.398 1.00 86.07 130 A 1 ATOM 1053 N NE . ARG A 1 130 ? 8.396 -1.173 9.412 1.00 75.35 130 A 1 ATOM 1054 C CZ . ARG A 1 130 ? 9.462 -0.863 8.688 1.00 69.04 130 A 1 ATOM 1055 N NH1 . ARG A 1 130 ? 9.983 -1.691 7.825 1.00 61.68 130 A 1 ATOM 1056 N NH2 . ARG A 1 130 ? 10.046 0.292 8.823 1.00 59.26 130 A 1 ATOM 1057 N N . ASN A 1 131 ? 2.992 0.591 8.465 1.00 96.39 131 A 1 ATOM 1058 C CA . ASN A 1 131 ? 1.957 1.406 9.101 1.00 96.36 131 A 1 ATOM 1059 C C . ASN A 1 131 ? 0.572 1.164 8.484 1.00 96.23 131 A 1 ATOM 1060 O O . ASN A 1 131 ? -0.393 0.975 9.223 1.00 95.60 131 A 1 ATOM 1061 C CB . ASN A 1 131 ? 2.373 2.883 9.030 1.00 96.63 131 A 1 ATOM 1062 C CG . ASN A 1 131 ? 3.552 3.228 9.921 1.00 95.87 131 A 1 ATOM 1063 O OD1 . ASN A 1 131 ? 3.960 2.488 10.804 1.00 91.74 131 A 1 ATOM 1064 N ND2 . ASN A 1 131 ? 4.135 4.389 9.731 1.00 91.63 131 A 1 ATOM 1065 N N . ILE A 1 132 ? 0.480 1.085 7.149 1.00 96.71 132 A 1 ATOM 1066 C CA . ILE A 1 132 ? -0.774 0.754 6.448 1.00 96.46 132 A 1 ATOM 1067 C C . ILE A 1 132 ? -1.264 -0.639 6.863 1.00 95.41 132 A 1 ATOM 1068 O O . ILE A 1 132 ? -2.434 -0.814 7.207 1.00 94.53 132 A 1 ATOM 1069 C CB . ILE A 1 132 ? -0.579 0.843 4.913 1.00 97.24 132 A 1 ATOM 1070 C CG1 . ILE A 1 132 ? -0.306 2.304 4.478 1.00 97.01 132 A 1 ATOM 1071 C CG2 . ILE A 1 132 ? -1.815 0.308 4.160 1.00 96.93 132 A 1 ATOM 1072 C CD1 . ILE A 1 132 ? 0.281 2.428 3.068 1.00 96.80 132 A 1 ATOM 1073 N N . SER A 1 133 ? -0.365 -1.619 6.876 1.00 95.16 133 A 1 ATOM 1074 C CA . SER A 1 133 ? -0.693 -2.995 7.264 1.00 94.10 133 A 1 ATOM 1075 C C . SER A 1 133 ? -1.153 -3.078 8.719 1.00 92.82 133 A 1 ATOM 1076 O O . SER A 1 133 ? -2.121 -3.772 9.019 1.00 91.08 133 A 1 ATOM 1077 C CB . SER A 1 133 ? 0.515 -3.913 7.061 1.00 93.75 133 A 1 ATOM 1078 O OG . SER A 1 133 ? 0.967 -3.836 5.725 1.00 88.95 133 A 1 ATOM 1079 N N . GLY A 1 134 ? -0.497 -2.333 9.615 1.00 93.85 134 A 1 ATOM 1080 C CA . GLY A 1 134 ? -0.883 -2.226 11.021 1.00 92.84 134 A 1 ATOM 1081 C C . GLY A 1 134 ? -2.272 -1.614 11.201 1.00 92.45 134 A 1 ATOM 1082 O O . GLY A 1 134 ? -3.091 -2.171 11.929 1.00 91.10 134 A 1 ATOM 1083 N N . GLU A 1 135 ? -2.581 -0.526 10.490 1.00 92.58 135 A 1 ATOM 1084 C CA . GLU A 1 135 ? -3.912 0.096 10.545 1.00 91.75 135 A 1 ATOM 1085 C C . GLU A 1 135 ? -5.011 -0.858 10.044 1.00 90.50 135 A 1 ATOM 1086 O O . GLU A 1 135 ? -6.054 -0.995 10.688 1.00 87.67 135 A 1 ATOM 1087 C CB . GLU A 1 135 ? -3.918 1.411 9.746 1.00 91.18 135 A 1 ATOM 1088 C CG . GLU A 1 135 ? -5.203 2.213 10.034 1.00 83.24 135 A 1 ATOM 1089 C CD . GLU A 1 135 ? -5.332 3.485 9.185 1.00 81.43 135 A 1 ATOM 1090 O OE1 . GLU A 1 135 ? -6.407 3.640 8.553 1.00 73.59 135 A 1 ATOM 1091 O OE2 . GLU A 1 135 ? -4.390 4.296 9.177 1.00 74.36 135 A 1 ATOM 1092 N N . LEU A 1 136 ? -4.761 -1.565 8.940 1.00 89.87 136 A 1 ATOM 1093 C CA . LEU A 1 136 ? -5.695 -2.562 8.408 1.00 88.56 136 A 1 ATOM 1094 C C . LEU A 1 136 ? -5.896 -3.730 9.378 1.00 86.25 136 A 1 ATOM 1095 O O . LEU A 1 136 ? -7.031 -4.157 9.589 1.00 83.55 136 A 1 ATOM 1096 C CB . LEU A 1 136 ? -5.179 -3.076 7.056 1.00 89.34 136 A 1 ATOM 1097 C CG . LEU A 1 136 ? -5.285 -2.059 5.908 1.00 89.21 136 A 1 ATOM 1098 C CD1 . LEU A 1 136 ? -4.539 -2.598 4.688 1.00 87.62 136 A 1 ATOM 1099 C CD2 . LEU A 1 136 ? -6.741 -1.804 5.505 1.00 88.36 136 A 1 ATOM 1100 N N . TYR A 1 137 ? -4.819 -4.216 10.003 1.00 85.79 137 A 1 ATOM 1101 C CA . TYR A 1 137 ? -4.879 -5.293 10.990 1.00 82.73 137 A 1 ATOM 1102 C C . TYR A 1 137 ? -5.745 -4.912 12.196 1.00 80.78 137 A 1 ATOM 1103 O O . TYR A 1 137 ? -6.643 -5.669 12.568 1.00 77.95 137 A 1 ATOM 1104 C CB . TYR A 1 137 ? -3.456 -5.662 11.417 1.00 80.97 137 A 1 ATOM 1105 C CG . TYR A 1 137 ? -3.416 -6.778 12.439 1.00 74.10 137 A 1 ATOM 1106 C CD1 . TYR A 1 137 ? -3.299 -6.480 13.811 1.00 68.87 137 A 1 ATOM 1107 C CD2 . TYR A 1 137 ? -3.530 -8.118 12.020 1.00 67.85 137 A 1 ATOM 1108 C CE1 . TYR A 1 137 ? -3.293 -7.520 14.760 1.00 62.27 137 A 1 ATOM 1109 C CE2 . TYR A 1 137 ? -3.527 -9.161 12.964 1.00 62.45 137 A 1 ATOM 1110 C CZ . TYR A 1 137 ? -3.407 -8.861 14.336 1.00 62.46 137 A 1 ATOM 1111 O OH . TYR A 1 137 ? -3.410 -9.864 15.257 1.00 61.21 137 A 1 ATOM 1112 N N . TRP A 1 138 ? -5.547 -3.718 12.768 1.00 81.46 138 A 1 ATOM 1113 C CA . TRP A 1 138 ? -6.400 -3.221 13.853 1.00 79.14 138 A 1 ATOM 1114 C C . TRP A 1 138 ? -7.856 -3.052 13.414 1.00 77.77 138 A 1 ATOM 1115 O O . TRP A 1 138 ? -8.764 -3.439 14.148 1.00 73.95 138 A 1 ATOM 1116 C CB . TRP A 1 138 ? -5.832 -1.909 14.403 1.00 78.43 138 A 1 ATOM 1117 C CG . TRP A 1 138 ? -4.580 -2.085 15.205 1.00 75.45 138 A 1 ATOM 1118 C CD1 . TRP A 1 138 ? -3.357 -1.606 14.887 1.00 69.53 138 A 1 ATOM 1119 C CD2 . TRP A 1 138 ? -4.407 -2.820 16.452 1.00 71.74 138 A 1 ATOM 1120 N NE1 . TRP A 1 138 ? -2.440 -1.997 15.841 1.00 63.61 138 A 1 ATOM 1121 C CE2 . TRP A 1 138 ? -3.033 -2.751 16.830 1.00 67.34 138 A 1 ATOM 1122 C CE3 . TRP A 1 138 ? -5.270 -3.542 17.306 1.00 63.71 138 A 1 ATOM 1123 C CZ2 . TRP A 1 138 ? -2.543 -3.367 17.994 1.00 66.35 138 A 1 ATOM 1124 C CZ3 . TRP A 1 138 ? -4.787 -4.167 18.473 1.00 62.25 138 A 1 ATOM 1125 C CH2 . TRP A 1 138 ? -3.426 -4.079 18.815 1.00 61.18 138 A 1 ATOM 1126 N N . GLY A 1 139 ? -8.091 -2.573 12.193 1.00 78.91 139 A 1 ATOM 1127 C CA . GLY A 1 139 ? -9.435 -2.492 11.621 1.00 76.27 139 A 1 ATOM 1128 C C . GLY A 1 139 ? -10.135 -3.852 11.498 1.00 75.86 139 A 1 ATOM 1129 O O . GLY A 1 139 ? -11.348 -3.930 11.669 1.00 73.04 139 A 1 ATOM 1130 N N . PHE A 1 140 ? -9.396 -4.933 11.247 1.00 75.43 140 A 1 ATOM 1131 C CA . PHE A 1 140 ? -9.957 -6.286 11.251 1.00 72.12 140 A 1 ATOM 1132 C C . PHE A 1 140 ? -10.346 -6.749 12.658 1.00 69.64 140 A 1 ATOM 1133 O O . PHE A 1 140 ? -11.433 -7.300 12.827 1.00 66.50 140 A 1 ATOM 1134 C CB . PHE A 1 140 ? -8.976 -7.278 10.616 1.00 70.19 140 A 1 ATOM 1135 C CG . PHE A 1 140 ? -8.645 -7.072 9.148 1.00 68.61 140 A 1 ATOM 1136 C CD1 . PHE A 1 140 ? -9.563 -6.482 8.256 1.00 64.80 140 A 1 ATOM 1137 C CD2 . PHE A 1 140 ? -7.412 -7.543 8.657 1.00 65.52 140 A 1 ATOM 1138 C CE1 . PHE A 1 140 ? -9.256 -6.369 6.887 1.00 62.14 140 A 1 ATOM 1139 C CE2 . PHE A 1 140 ? -7.106 -7.435 7.290 1.00 63.09 140 A 1 ATOM 1140 C CZ . PHE A 1 140 ? -8.030 -6.852 6.404 1.00 62.71 140 A 1 ATOM 1141 N N . LEU A 1 141 ? -9.514 -6.486 13.665 1.00 70.10 141 A 1 ATOM 1142 C CA . LEU A 1 141 ? -9.823 -6.828 15.057 1.00 67.60 141 A 1 ATOM 1143 C C . LEU A 1 141 ? -11.049 -6.073 15.578 1.00 65.97 141 A 1 ATOM 1144 O O . LEU A 1 141 ? -11.892 -6.657 16.256 1.00 62.63 141 A 1 ATOM 1145 C CB . LEU A 1 141 ? -8.612 -6.535 15.956 1.00 66.20 141 A 1 ATOM 1146 C CG . LEU A 1 141 ? -7.359 -7.383 15.676 1.00 61.96 141 A 1 ATOM 1147 C CD1 . LEU A 1 141 ? -6.272 -6.991 16.674 1.00 58.89 141 A 1 ATOM 1148 C CD2 . LEU A 1 141 ? -7.615 -8.885 15.817 1.00 59.04 141 A 1 ATOM 1149 N N . ASP A 1 142 ? -11.187 -4.793 15.232 1.00 61.74 142 A 1 ATOM 1150 C CA . ASP A 1 142 ? -12.365 -4.004 15.585 1.00 61.09 142 A 1 ATOM 1151 C C . ASP A 1 142 ? -13.633 -4.587 14.952 1.00 59.64 142 A 1 ATOM 1152 O O . ASP A 1 142 ? -14.655 -4.722 15.629 1.00 56.49 142 A 1 ATOM 1153 C CB . ASP A 1 142 ? -12.176 -2.540 15.161 1.00 59.40 142 A 1 ATOM 1154 C CG . ASP A 1 142 ? -11.281 -1.719 16.097 1.00 54.02 142 A 1 ATOM 1155 O OD1 . ASP A 1 142 ? -11.041 -2.160 17.247 1.00 51.36 142 A 1 ATOM 1156 O OD2 . ASP A 1 142 ? -10.918 -0.593 15.681 1.00 50.27 142 A 1 ATOM 1157 N N . ASN A 1 143 ? -13.577 -4.999 13.682 1.00 62.14 143 A 1 ATOM 1158 C CA . ASN A 1 143 ? -14.717 -5.622 13.011 1.00 60.56 143 A 1 ATOM 1159 C C . ASN A 1 143 ? -15.137 -6.941 13.678 1.00 59.56 143 A 1 ATOM 1160 O O . ASN A 1 143 ? -16.335 -7.144 13.877 1.00 56.31 143 A 1 ATOM 1161 C CB . ASN A 1 143 ? -14.407 -5.815 11.522 1.00 57.44 143 A 1 ATOM 1162 C CG . ASN A 1 143 ? -14.423 -4.527 10.719 1.00 52.76 143 A 1 ATOM 1163 O OD1 . ASN A 1 143 ? -14.990 -3.508 11.076 1.00 48.88 143 A 1 ATOM 1164 N ND2 . ASN A 1 143 ? -13.823 -4.548 9.553 1.00 48.02 143 A 1 ATOM 1165 N N . ASP A 1 144 ? -14.197 -7.776 14.118 1.00 53.82 144 A 1 ATOM 1166 C CA . ASP A 1 144 ? -14.508 -9.020 14.842 1.00 53.92 144 A 1 ATOM 1167 C C . ASP A 1 144 ? -15.305 -8.761 16.137 1.00 52.63 144 A 1 ATOM 1168 O O . ASP A 1 144 ? -16.202 -9.526 16.507 1.00 50.20 144 A 1 ATOM 1169 C CB . ASP A 1 144 ? -13.214 -9.766 15.208 1.00 51.44 144 A 1 ATOM 1170 C CG . ASP A 1 144 ? -12.430 -10.394 14.051 1.00 47.92 144 A 1 ATOM 1171 O OD1 . ASP A 1 144 ? -12.966 -10.652 12.954 1.00 44.91 144 A 1 ATOM 1172 O OD2 . ASP A 1 144 ? -11.251 -10.761 14.279 1.00 44.27 144 A 1 ATOM 1173 N N . LEU A 1 145 ? -15.029 -7.646 16.832 1.00 43.01 145 A 1 ATOM 1174 C CA . LEU A 1 145 ? -15.768 -7.256 18.039 1.00 42.60 145 A 1 ATOM 1175 C C . LEU A 1 145 ? -17.225 -6.866 17.752 1.00 42.54 145 A 1 ATOM 1176 O O . LEU A 1 145 ? -18.077 -6.971 18.644 1.00 40.50 145 A 1 ATOM 1177 C CB . LEU A 1 145 ? -15.055 -6.077 18.728 1.00 39.14 145 A 1 ATOM 1178 C CG . LEU A 1 145 ? -13.680 -6.400 19.329 1.00 36.27 145 A 1 ATOM 1179 C CD1 . LEU A 1 145 ? -13.034 -5.107 19.825 1.00 33.57 145 A 1 ATOM 1180 C CD2 . LEU A 1 145 ? -13.799 -7.356 20.521 1.00 35.73 145 A 1 ATOM 1181 N N . TYR A 1 146 ? -17.517 -6.385 16.546 1.00 41.13 146 A 1 ATOM 1182 C CA . TYR A 1 146 ? -18.863 -6.009 16.107 1.00 41.54 146 A 1 ATOM 1183 C C . TYR A 1 146 ? -19.609 -7.163 15.433 1.00 41.90 146 A 1 ATOM 1184 O O . TYR A 1 146 ? -20.811 -7.297 15.672 1.00 40.13 146 A 1 ATOM 1185 C CB . TYR A 1 146 ? -18.809 -4.771 15.203 1.00 38.97 146 A 1 ATOM 1186 C CG . TYR A 1 146 ? -18.509 -3.485 15.954 1.00 35.81 146 A 1 ATOM 1187 C CD1 . TYR A 1 146 ? -19.515 -2.866 16.719 1.00 32.63 146 A 1 ATOM 1188 C CD2 . TYR A 1 146 ? -17.223 -2.922 15.905 1.00 32.36 146 A 1 ATOM 1189 C CE1 . TYR A 1 146 ? -19.235 -1.688 17.440 1.00 29.63 146 A 1 ATOM 1190 C CE2 . TYR A 1 146 ? -16.936 -1.745 16.627 1.00 30.07 146 A 1 ATOM 1191 C CZ . TYR A 1 146 ? -17.940 -1.130 17.394 1.00 29.84 146 A 1 ATOM 1192 O OH . TYR A 1 146 ? -17.665 0.002 18.097 1.00 28.42 146 A 1 ATOM 1193 N N . GLU A 1 147 ? -18.948 -8.028 14.677 1.00 44.14 147 A 1 ATOM 1194 C CA . GLU A 1 147 ? -19.579 -9.189 14.029 1.00 45.19 147 A 1 ATOM 1195 C C . GLU A 1 147 ? -20.268 -10.112 15.045 1.00 44.93 147 A 1 ATOM 1196 O O . GLU A 1 147 ? -21.395 -10.551 14.818 1.00 43.92 147 A 1 ATOM 1197 C CB . GLU A 1 147 ? -18.547 -9.981 13.206 1.00 44.55 147 A 1 ATOM 1198 C CG . GLU A 1 147 ? -18.226 -9.301 11.864 1.00 41.05 147 A 1 ATOM 1199 C CD . GLU A 1 147 ? -17.289 -10.127 10.958 1.00 38.88 147 A 1 ATOM 1200 O OE1 . GLU A 1 147 ? -17.055 -9.672 9.814 1.00 37.34 147 A 1 ATOM 1201 O OE2 . GLU A 1 147 ? -16.837 -11.216 11.380 1.00 36.60 147 A 1 ATOM 1202 N N . GLY A 1 148 ? -19.674 -10.316 16.223 1.00 39.35 148 A 1 ATOM 1203 C CA . GLY A 1 148 ? -20.297 -11.068 17.321 1.00 39.23 148 A 1 ATOM 1204 C C . GLY A 1 148 ? -21.546 -10.414 17.942 1.00 38.42 148 A 1 ATOM 1205 O O . GLY A 1 148 ? -22.173 -11.011 18.815 1.00 36.48 148 A 1 ATOM 1206 N N . LYS A 1 149 ? -21.887 -9.182 17.546 1.00 35.53 149 A 1 ATOM 1207 C CA . LYS A 1 149 ? -23.027 -8.403 18.065 1.00 35.45 149 A 1 ATOM 1208 C C . LYS A 1 149 ? -24.086 -8.087 17.006 1.00 34.89 149 A 1 ATOM 1209 O O . LYS A 1 149 ? -25.111 -7.497 17.351 1.00 33.73 149 A 1 ATOM 1210 C CB . LYS A 1 149 ? -22.520 -7.095 18.692 1.00 34.10 149 A 1 ATOM 1211 C CG . LYS A 1 149 ? -21.588 -7.321 19.885 1.00 31.40 149 A 1 ATOM 1212 C CD . LYS A 1 149 ? -21.120 -5.966 20.428 1.00 30.37 149 A 1 ATOM 1213 C CE . LYS A 1 149 ? -20.121 -6.186 21.563 1.00 27.95 149 A 1 ATOM 1214 N NZ . LYS A 1 149 ? -19.514 -4.903 21.987 1.00 25.85 149 A 1 ATOM 1215 N N . VAL A 1 150 ? -23.853 -8.419 15.741 1.00 35.26 150 A 1 ATOM 1216 C CA . VAL A 1 150 ? -24.772 -8.132 14.640 1.00 35.58 150 A 1 ATOM 1217 C C . VAL A 1 150 ? -25.563 -9.393 14.307 1.00 36.10 150 A 1 ATOM 1218 O O . VAL A 1 150 ? -25.021 -10.372 13.808 1.00 35.57 150 A 1 ATOM 1219 C CB . VAL A 1 150 ? -24.030 -7.558 13.416 1.00 34.73 150 A 1 ATOM 1220 C CG1 . VAL A 1 150 ? -24.984 -7.314 12.238 1.00 31.28 150 A 1 ATOM 1221 C CG2 . VAL A 1 150 ? -23.390 -6.200 13.754 1.00 31.76 150 A 1 ATOM 1222 N N . GLU A 1 151 ? -26.873 -9.350 14.561 1.00 32.18 151 A 1 ATOM 1223 C CA . GLU A 1 151 ? -27.814 -10.350 14.065 1.00 33.07 151 A 1 ATOM 1224 C C . GLU A 1 151 ? -28.252 -9.942 12.653 1.00 32.69 151 A 1 ATOM 1225 O O . GLU A 1 151 ? -28.797 -8.856 12.446 1.00 32.66 151 A 1 ATOM 1226 C CB . GLU A 1 151 ? -28.976 -10.474 15.062 1.00 33.56 151 A 1 ATOM 1227 C CG . GLU A 1 151 ? -29.883 -11.679 14.773 1.00 30.72 151 A 1 ATOM 1228 C CD . GLU A 1 151 ? -30.955 -11.888 15.860 1.00 28.68 151 A 1 ATOM 1229 O OE1 . GLU A 1 151 ? -31.568 -12.977 15.863 1.00 26.68 151 A 1 ATOM 1230 O OE2 . GLU A 1 151 ? -31.158 -10.971 16.690 1.00 28.49 151 A 1 ATOM 1231 N N . ILE A 1 152 ? -27.982 -10.794 11.660 1.00 34.75 152 A 1 ATOM 1232 C CA . ILE A 1 152 ? -28.429 -10.561 10.284 1.00 34.99 152 A 1 ATOM 1233 C C . ILE A 1 152 ? -29.895 -10.989 10.201 1.00 34.52 152 A 1 ATOM 1234 O O . ILE A 1 152 ? -30.205 -12.171 10.082 1.00 34.02 152 A 1 ATOM 1235 C CB . ILE A 1 152 ? -27.528 -11.278 9.244 1.00 34.40 152 A 1 ATOM 1236 C CG1 . ILE A 1 152 ? -26.060 -10.810 9.372 1.00 31.54 152 A 1 ATOM 1237 C CG2 . ILE A 1 152 ? -28.059 -11.015 7.817 1.00 32.00 152 A 1 ATOM 1238 C CD1 . ILE A 1 152 ? -25.079 -11.537 8.435 1.00 30.71 152 A 1 ATOM 1239 N N . VAL A 1 153 ? -30.810 -10.022 10.263 1.00 33.89 153 A 1 ATOM 1240 C CA . VAL A 1 153 ? -32.241 -10.276 10.076 1.00 34.66 153 A 1 ATOM 1241 C C . VAL A 1 153 ? -32.545 -10.343 8.584 1.00 34.72 153 A 1 ATOM 1242 O O . VAL A 1 153 ? -32.409 -9.362 7.857 1.00 33.60 153 A 1 ATOM 1243 C CB . VAL A 1 153 ? -33.115 -9.231 10.793 1.00 33.29 153 A 1 ATOM 1244 C CG1 . VAL A 1 153 ? -34.602 -9.590 10.676 1.00 29.06 153 A 1 ATOM 1245 C CG2 . VAL A 1 153 ? -32.766 -9.143 12.287 1.00 30.64 153 A 1 ATOM 1246 N N . ASN A 1 154 ? -32.984 -11.512 8.123 1.00 34.36 154 A 1 ATOM 1247 C CA . ASN A 1 154 ? -33.380 -11.716 6.733 1.00 35.94 154 A 1 ATOM 1248 C C . ASN A 1 154 ? -34.802 -11.163 6.536 1.00 35.09 154 A 1 ATOM 1249 O O . ASN A 1 154 ? -35.776 -11.714 7.046 1.00 34.19 154 A 1 ATOM 1250 C CB . ASN A 1 154 ? -33.228 -13.214 6.397 1.00 35.29 154 A 1 ATOM 1251 C CG . ASN A 1 154 ? -32.637 -13.475 5.028 1.00 31.55 154 A 1 ATOM 1252 O OD1 . ASN A 1 154 ? -32.598 -12.630 4.145 1.00 29.23 154 A 1 ATOM 1253 N ND2 . ASN A 1 154 ? -32.141 -14.670 4.813 1.00 29.17 154 A 1 ATOM 1254 N N . ILE A 1 155 ? -34.935 -10.061 5.796 1.00 34.93 155 A 1 ATOM 1255 C CA . ILE A 1 155 ? -36.226 -9.358 5.621 1.00 37.29 155 A 1 ATOM 1256 C C . ILE A 1 155 ? -37.236 -10.202 4.813 1.00 37.24 155 A 1 ATOM 1257 O O . ILE A 1 155 ? -38.428 -9.926 4.826 1.00 36.19 155 A 1 ATOM 1258 C CB . ILE A 1 155 ? -36.000 -7.950 5.007 1.00 35.86 155 A 1 ATOM 1259 C CG1 . ILE A 1 155 ? -34.926 -7.150 5.795 1.00 32.36 155 A 1 ATOM 1260 C CG2 . ILE A 1 155 ? -37.312 -7.124 4.967 1.00 33.99 155 A 1 ATOM 1261 C CD1 . ILE A 1 155 ? -34.522 -5.810 5.152 1.00 32.49 155 A 1 ATOM 1262 N N . SER A 1 156 ? -36.783 -11.275 4.153 1.00 36.01 156 A 1 ATOM 1263 C CA . SER A 1 156 ? -37.655 -12.195 3.408 1.00 40.38 156 A 1 ATOM 1264 C C . SER A 1 156 ? -38.552 -13.080 4.284 1.00 40.59 156 A 1 ATOM 1265 O O . SER A 1 156 ? -39.481 -13.674 3.753 1.00 39.51 156 A 1 ATOM 1266 C CB . SER A 1 156 ? -36.825 -13.070 2.468 1.00 39.22 156 A 1 ATOM 1267 O OG . SER A 1 156 ? -35.842 -13.800 3.170 1.00 34.50 156 A 1 ATOM 1268 N N . GLU A 1 157 ? -38.321 -13.164 5.603 1.00 33.40 157 A 1 ATOM 1269 C CA . GLU A 1 157 ? -39.160 -13.955 6.527 1.00 38.95 157 A 1 ATOM 1270 C C . GLU A 1 157 ? -40.257 -13.127 7.227 1.00 38.45 157 A 1 ATOM 1271 O O . GLU A 1 157 ? -41.065 -13.670 7.971 1.00 38.11 157 A 1 ATOM 1272 C CB . GLU A 1 157 ? -38.275 -14.696 7.541 1.00 39.91 157 A 1 ATOM 1273 C CG . GLU A 1 157 ? -37.430 -15.795 6.866 1.00 36.24 157 A 1 ATOM 1274 C CD . GLU A 1 157 ? -36.578 -16.616 7.854 1.00 33.44 157 A 1 ATOM 1275 O OE1 . GLU A 1 157 ? -36.012 -17.638 7.399 1.00 32.16 157 A 1 ATOM 1276 O OE2 . GLU A 1 157 ? -36.448 -16.208 9.031 1.00 36.51 157 A 1 ATOM 1277 N N . ALA A 1 158 ? -40.321 -11.819 6.981 1.00 34.19 158 A 1 ATOM 1278 C CA . ALA A 1 158 ? -41.317 -10.928 7.591 1.00 39.25 158 A 1 ATOM 1279 C C . ALA A 1 158 ? -42.569 -10.693 6.715 1.00 40.03 158 A 1 ATOM 1280 O O . ALA A 1 158 ? -43.328 -9.754 6.961 1.00 38.81 158 A 1 ATOM 1281 C CB . ALA A 1 158 ? -40.619 -9.632 8.018 1.00 37.71 158 A 1 ATOM 1282 N N . ALA A 1 159 ? -42.781 -11.504 5.680 1.00 35.35 159 A 1 ATOM 1283 C CA . ALA A 1 159 ? -43.907 -11.399 4.755 1.00 40.43 159 A 1 ATOM 1284 C C . ALA A 1 159 ? -44.614 -12.754 4.557 1.00 41.44 159 A 1 ATOM 1285 O O . ALA A 1 159 ? -44.720 -13.230 3.435 1.00 40.31 159 A 1 ATOM 1286 C CB . ALA A 1 159 ? -43.429 -10.753 3.445 1.00 38.88 159 A 1 ATOM 1287 N N . GLU A 1 160 ? -45.106 -13.333 5.657 1.00 35.93 160 A 1 ATOM 1288 C CA . GLU A 1 160 ? -46.224 -14.289 5.677 1.00 41.36 160 A 1 ATOM 1289 C C . GLU A 1 160 ? -47.233 -13.875 6.761 1.00 38.69 160 A 1 ATOM 1290 O O . GLU A 1 160 ? -46.803 -13.586 7.894 1.00 36.70 160 A 1 ATOM 1291 C CB . GLU A 1 160 ? -45.758 -15.750 5.835 1.00 40.34 160 A 1 ATOM 1292 C CG . GLU A 1 160 ? -45.178 -16.337 4.528 1.00 35.31 160 A 1 ATOM 1293 C CD . GLU A 1 160 ? -44.980 -17.872 4.539 1.00 32.70 160 A 1 ATOM 1294 O OE1 . GLU A 1 160 ? -44.841 -18.443 3.428 1.00 30.47 160 A 1 ATOM 1295 O OE2 . GLU A 1 160 ? -44.980 -18.493 5.626 1.00 36.33 160 A 1 ATOM 1296 O OXT . GLU A 1 160 ? -48.433 -13.835 6.407 1.00 40.78 160 A 1 #