# 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_lidtsur_17 # _entry.id lidtsur_17 # 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 ALA 2 1 n ILE 3 1 n ASN 4 1 n PHE 5 1 n GLU 6 1 n LYS 7 1 n PHE 8 1 n ASN 9 1 n LYS 10 1 n GLN 11 1 n GLN 12 1 n LEU 13 1 n ALA 14 1 n VAL 15 1 n VAL 16 1 n CYS 17 1 n GLN 18 1 n LEU 19 1 n GLY 20 1 n ASN 21 1 n GLU 22 1 n ILE 23 1 n ASP 24 1 n ALA 25 1 n THR 26 1 n PRO 27 1 n ASP 28 1 n VAL 29 1 n HIS 30 1 n ASP 31 1 n ILE 32 1 n ILE 33 1 n GLU 34 1 n PHE 35 1 n ARG 36 1 n GLY 37 1 n GLY 38 1 n PHE 39 1 n ILE 40 1 n PRO 41 1 n LYS 42 1 n VAL 43 1 n VAL 44 1 n TYR 45 1 n VAL 46 1 n ALA 47 1 n ALA 48 1 n VAL 49 1 n ARG 50 1 n ASN 51 1 n ASN 52 1 n ARG 53 1 n VAL 54 1 n ASP 55 1 n SER 56 1 n ILE 57 1 n GLY 58 1 n ILE 59 1 n ILE 60 1 n GLN 61 1 n PRO 62 1 n THR 63 1 n ARG 64 1 n THR 65 1 n GLY 66 1 n ALA 67 1 n VAL 68 1 n LEU 69 1 n ALA 70 1 n ARG 71 1 n ASN 72 1 n VAL 73 1 n THR 74 1 n LEU 75 1 n ILE 76 1 n ALA 77 1 n SER 78 1 n LEU 79 1 n SER 80 1 n ALA 81 1 n LYS 82 1 n GLN 83 1 n MET 84 1 n GLU 85 1 n LEU 86 1 n GLU 87 1 n GLY 88 1 n ASP 89 1 n ARG 90 1 n GLU 91 1 n GLY 92 1 n VAL 93 1 n VAL 94 1 n ALA 95 1 n MET 96 1 n GLN 97 1 n MET 98 1 n ALA 99 1 n ALA 100 1 n SER 101 1 n LEU 102 1 n ALA 103 1 n VAL 104 1 n ARG 105 1 n PHE 106 1 n ALA 107 1 n CYS 108 1 n GLU 109 1 n GLU 110 1 n THR 111 1 n VAL 112 1 n HIS 113 1 n ASP 114 1 n SER 115 1 n TYR 116 1 n HIS 117 1 n GLU 118 1 n TRP 119 1 n PHE 120 1 n LEU 121 1 n ALA 122 1 n CYS 123 1 n GLU 124 1 n HIS 125 1 n VAL 126 1 n PRO 127 1 n SER 128 1 n ASP 129 1 n LEU 130 1 n THR 131 1 n GLU 132 1 n THR 133 1 n GLN 134 1 n LEU 135 1 n SER 136 1 n LEU 137 1 n LEU 138 1 n PHE 139 1 n ALA 140 1 n GLY 141 1 n GLU 142 1 n VAL 143 1 n LEU 144 1 n ASP 145 1 n GLN 146 1 n MET 147 1 n LEU 148 1 n HIS 149 1 n GLN 150 1 n LEU 151 1 n GLN 152 1 n GLY 153 1 n GLY 154 1 n LEU 155 1 n SER 156 1 n GLU 157 1 n LEU 158 1 n MET 159 1 n GLU 160 1 n ALA 161 1 n ALA 162 1 n ARG 163 1 n GLY 164 1 n VAL 165 1 n LYS 166 1 n ARG 167 1 n ALA 168 1 n THR 169 1 n LEU 170 1 n HIS 171 # _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 01:06:24)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 88.15 _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 66.64 1 1 A ALA 2 2 89.54 1 2 A ILE 3 2 94.76 1 3 A ASN 4 2 95.90 1 4 A PHE 5 2 95.06 1 5 A GLU 6 2 89.50 1 6 A LYS 7 2 91.15 1 7 A PHE 8 2 93.28 1 8 A ASN 9 2 93.00 1 9 A LYS 10 2 86.34 1 10 A GLN 11 2 84.69 1 11 A GLN 12 2 86.01 1 12 A LEU 13 2 95.09 1 13 A ALA 14 2 95.93 1 14 A VAL 15 2 93.77 1 15 A VAL 16 2 94.49 1 16 A CYS 17 2 95.82 1 17 A GLN 18 2 87.01 1 18 A LEU 19 2 92.48 1 19 A GLY 20 2 95.08 1 20 A ASN 21 2 94.00 1 21 A GLU 22 2 88.04 1 22 A ILE 23 2 92.72 1 23 A ASP 24 2 91.72 1 24 A ALA 25 2 93.87 1 25 A THR 26 2 88.89 1 26 A PRO 27 2 86.78 1 27 A ASP 28 2 80.04 1 28 A VAL 29 2 85.36 1 29 A HIS 30 2 83.29 1 30 A ASP 31 2 86.30 1 31 A ILE 32 2 90.13 1 32 A ILE 33 2 87.53 1 33 A GLU 34 2 82.13 1 34 A PHE 35 2 89.71 1 35 A ARG 36 2 85.81 1 36 A GLY 37 2 88.30 1 37 A GLY 38 2 92.48 1 38 A PHE 39 2 91.05 1 39 A ILE 40 2 90.24 1 40 A PRO 41 2 90.38 1 41 A LYS 42 2 87.25 1 42 A VAL 43 2 85.52 1 43 A VAL 44 2 88.67 1 44 A TYR 45 2 88.74 1 45 A VAL 46 2 89.13 1 46 A ALA 47 2 89.81 1 47 A ALA 48 2 90.73 1 48 A VAL 49 2 89.95 1 49 A ARG 50 2 80.09 1 50 A ASN 51 2 88.76 1 51 A ASN 52 2 88.78 1 52 A ARG 53 2 79.91 1 53 A VAL 54 2 89.89 1 54 A ASP 55 2 88.19 1 55 A SER 56 2 88.14 1 56 A ILE 57 2 88.85 1 57 A GLY 58 2 87.53 1 58 A ILE 59 2 85.79 1 59 A ILE 60 2 90.42 1 60 A GLN 61 2 89.80 1 61 A PRO 62 2 93.97 1 62 A THR 63 2 92.77 1 63 A ARG 64 2 83.15 1 64 A THR 65 2 92.79 1 65 A GLY 66 2 94.37 1 66 A ALA 67 2 94.32 1 67 A VAL 68 2 93.18 1 68 A LEU 69 2 91.12 1 69 A ALA 70 2 94.22 1 70 A ARG 71 2 90.22 1 71 A ASN 72 2 93.68 1 72 A VAL 73 2 93.83 1 73 A THR 74 2 91.87 1 74 A LEU 75 2 89.66 1 75 A ILE 76 2 94.53 1 76 A ALA 77 2 95.46 1 77 A SER 78 2 93.01 1 78 A LEU 79 2 92.19 1 79 A SER 80 2 94.24 1 80 A ALA 81 2 96.07 1 81 A LYS 82 2 87.31 1 82 A GLN 83 2 87.39 1 83 A MET 84 2 93.41 1 84 A GLU 85 2 90.21 1 85 A LEU 86 2 94.53 1 86 A GLU 87 2 91.68 1 87 A GLY 88 2 95.86 1 88 A ASP 89 2 94.05 1 89 A ARG 90 2 80.68 1 90 A GLU 91 2 83.81 1 91 A GLY 92 2 94.68 1 92 A VAL 93 2 95.15 1 93 A VAL 94 2 93.98 1 94 A ALA 95 2 94.19 1 95 A MET 96 2 93.60 1 96 A GLN 97 2 91.25 1 97 A MET 98 2 88.40 1 98 A ALA 99 2 95.45 1 99 A ALA 100 2 95.95 1 100 A SER 101 2 93.12 1 101 A LEU 102 2 93.00 1 102 A ALA 103 2 95.51 1 103 A VAL 104 2 93.66 1 104 A ARG 105 2 79.27 1 105 A PHE 106 2 93.37 1 106 A ALA 107 2 94.61 1 107 A CYS 108 2 93.64 1 108 A GLU 109 2 88.17 1 109 A GLU 110 2 86.13 1 110 A THR 111 2 92.71 1 111 A VAL 112 2 92.25 1 112 A HIS 113 2 83.09 1 113 A ASP 114 2 93.08 1 114 A SER 115 2 94.25 1 115 A TYR 116 2 92.04 1 116 A HIS 117 2 84.60 1 117 A GLU 118 2 90.11 1 118 A TRP 119 2 95.86 1 119 A PHE 120 2 90.70 1 120 A LEU 121 2 93.61 1 121 A ALA 122 2 96.68 1 122 A CYS 123 2 96.35 1 123 A GLU 124 2 93.08 1 124 A HIS 125 2 93.10 1 125 A VAL 126 2 95.64 1 126 A PRO 127 2 96.14 1 127 A SER 128 2 94.15 1 128 A ASP 129 2 91.62 1 129 A LEU 130 2 94.52 1 130 A THR 131 2 93.37 1 131 A GLU 132 2 82.15 1 132 A THR 133 2 93.33 1 133 A GLN 134 2 94.98 1 134 A LEU 135 2 94.59 1 135 A SER 136 2 93.42 1 136 A LEU 137 2 95.58 1 137 A LEU 138 2 96.26 1 138 A PHE 139 2 94.25 1 139 A ALA 140 2 96.30 1 140 A GLY 141 2 95.90 1 141 A GLU 142 2 89.94 1 142 A VAL 143 2 95.19 1 143 A LEU 144 2 93.57 1 144 A ASP 145 2 89.82 1 145 A GLN 146 2 86.17 1 146 A MET 147 2 91.64 1 147 A LEU 148 2 93.13 1 148 A HIS 149 2 84.33 1 149 A GLN 150 2 84.86 1 150 A LEU 151 2 88.33 1 151 A GLN 152 2 80.91 1 152 A GLY 153 2 84.45 1 153 A GLY 154 2 80.22 1 154 A LEU 155 2 69.26 1 155 A SER 156 2 77.24 1 156 A GLU 157 2 73.47 1 157 A LEU 158 2 72.27 1 158 A MET 159 2 67.99 1 159 A GLU 160 2 68.20 1 160 A ALA 161 2 82.33 1 161 A ALA 162 2 78.71 1 162 A ARG 163 2 67.91 1 163 A GLY 164 2 79.81 1 164 A VAL 165 2 73.48 1 165 A LYS 166 2 65.37 1 166 A ARG 167 2 60.78 1 167 A ALA 168 2 72.09 1 168 A THR 169 2 66.98 1 169 A LEU 170 2 60.56 1 170 A HIS 171 2 62.01 1 171 # _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 ALA . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ASN . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n GLN . 11 A 11 A 12 1 n GLN . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n ASP . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n THR . 26 A 26 A 27 1 n PRO . 27 A 27 A 28 1 n ASP . 28 A 28 A 29 1 n VAL . 29 A 29 A 30 1 n HIS . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n ILE . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n GLU . 34 A 34 A 35 1 n PHE . 35 A 35 A 36 1 n ARG . 36 A 36 A 37 1 n GLY . 37 A 37 A 38 1 n GLY . 38 A 38 A 39 1 n PHE . 39 A 39 A 40 1 n ILE . 40 A 40 A 41 1 n PRO . 41 A 41 A 42 1 n LYS . 42 A 42 A 43 1 n VAL . 43 A 43 A 44 1 n VAL . 44 A 44 A 45 1 n TYR . 45 A 45 A 46 1 n VAL . 46 A 46 A 47 1 n ALA . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n VAL . 49 A 49 A 50 1 n ARG . 50 A 50 A 51 1 n ASN . 51 A 51 A 52 1 n ASN . 52 A 52 A 53 1 n ARG . 53 A 53 A 54 1 n VAL . 54 A 54 A 55 1 n ASP . 55 A 55 A 56 1 n SER . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n GLY . 58 A 58 A 59 1 n ILE . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n GLN . 61 A 61 A 62 1 n PRO . 62 A 62 A 63 1 n THR . 63 A 63 A 64 1 n ARG . 64 A 64 A 65 1 n THR . 65 A 65 A 66 1 n GLY . 66 A 66 A 67 1 n ALA . 67 A 67 A 68 1 n VAL . 68 A 68 A 69 1 n LEU . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n ARG . 71 A 71 A 72 1 n ASN . 72 A 72 A 73 1 n VAL . 73 A 73 A 74 1 n THR . 74 A 74 A 75 1 n LEU . 75 A 75 A 76 1 n ILE . 76 A 76 A 77 1 n ALA . 77 A 77 A 78 1 n SER . 78 A 78 A 79 1 n LEU . 79 A 79 A 80 1 n SER . 80 A 80 A 81 1 n ALA . 81 A 81 A 82 1 n LYS . 82 A 82 A 83 1 n GLN . 83 A 83 A 84 1 n MET . 84 A 84 A 85 1 n GLU . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n GLU . 87 A 87 A 88 1 n GLY . 88 A 88 A 89 1 n ASP . 89 A 89 A 90 1 n ARG . 90 A 90 A 91 1 n GLU . 91 A 91 A 92 1 n GLY . 92 A 92 A 93 1 n VAL . 93 A 93 A 94 1 n VAL . 94 A 94 A 95 1 n ALA . 95 A 95 A 96 1 n MET . 96 A 96 A 97 1 n GLN . 97 A 97 A 98 1 n MET . 98 A 98 A 99 1 n ALA . 99 A 99 A 100 1 n ALA . 100 A 100 A 101 1 n SER . 101 A 101 A 102 1 n LEU . 102 A 102 A 103 1 n ALA . 103 A 103 A 104 1 n VAL . 104 A 104 A 105 1 n ARG . 105 A 105 A 106 1 n PHE . 106 A 106 A 107 1 n ALA . 107 A 107 A 108 1 n CYS . 108 A 108 A 109 1 n GLU . 109 A 109 A 110 1 n GLU . 110 A 110 A 111 1 n THR . 111 A 111 A 112 1 n VAL . 112 A 112 A 113 1 n HIS . 113 A 113 A 114 1 n ASP . 114 A 114 A 115 1 n SER . 115 A 115 A 116 1 n TYR . 116 A 116 A 117 1 n HIS . 117 A 117 A 118 1 n GLU . 118 A 118 A 119 1 n TRP . 119 A 119 A 120 1 n PHE . 120 A 120 A 121 1 n LEU . 121 A 121 A 122 1 n ALA . 122 A 122 A 123 1 n CYS . 123 A 123 A 124 1 n GLU . 124 A 124 A 125 1 n HIS . 125 A 125 A 126 1 n VAL . 126 A 126 A 127 1 n PRO . 127 A 127 A 128 1 n SER . 128 A 128 A 129 1 n ASP . 129 A 129 A 130 1 n LEU . 130 A 130 A 131 1 n THR . 131 A 131 A 132 1 n GLU . 132 A 132 A 133 1 n THR . 133 A 133 A 134 1 n GLN . 134 A 134 A 135 1 n LEU . 135 A 135 A 136 1 n SER . 136 A 136 A 137 1 n LEU . 137 A 137 A 138 1 n LEU . 138 A 138 A 139 1 n PHE . 139 A 139 A 140 1 n ALA . 140 A 140 A 141 1 n GLY . 141 A 141 A 142 1 n GLU . 142 A 142 A 143 1 n VAL . 143 A 143 A 144 1 n LEU . 144 A 144 A 145 1 n ASP . 145 A 145 A 146 1 n GLN . 146 A 146 A 147 1 n MET . 147 A 147 A 148 1 n LEU . 148 A 148 A 149 1 n HIS . 149 A 149 A 150 1 n GLN . 150 A 150 A 151 1 n LEU . 151 A 151 A 152 1 n GLN . 152 A 152 A 153 1 n GLY . 153 A 153 A 154 1 n GLY . 154 A 154 A 155 1 n LEU . 155 A 155 A 156 1 n SER . 156 A 156 A 157 1 n GLU . 157 A 157 A 158 1 n LEU . 158 A 158 A 159 1 n MET . 159 A 159 A 160 1 n GLU . 160 A 160 A 161 1 n ALA . 161 A 161 A 162 1 n ALA . 162 A 162 A 163 1 n ARG . 163 A 163 A 164 1 n GLY . 164 A 164 A 165 1 n VAL . 165 A 165 A 166 1 n LYS . 166 A 166 A 167 1 n ARG . 167 A 167 A 168 1 n ALA . 168 A 168 A 169 1 n THR . 169 A 169 A 170 1 n LEU . 170 A 170 A 171 1 n HIS . 171 A 171 # _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 ? -1.897 -5.128 -13.819 1.00 69.02 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.221 -4.110 -14.836 1.00 77.01 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.009 -3.215 -14.991 1.00 83.05 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.146 -3.265 -14.120 1.00 79.15 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.489 -3.340 -14.456 1.00 67.56 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.730 -4.217 -14.637 1.00 57.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.294 -3.494 -14.096 1.00 52.94 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.153 -3.637 -12.298 1.00 46.80 1 A 1 ATOM 9 N N . ALA A 1 2 ? -0.880 -2.479 -16.087 1.00 84.13 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 0.250 -1.578 -16.321 1.00 90.84 2 A 1 ATOM 11 C C . ALA A 1 2 ? -0.265 -0.152 -16.527 1.00 93.87 2 A 1 ATOM 12 O O . ALA A 1 2 ? -1.365 0.039 -17.048 1.00 91.81 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 1.034 -2.071 -17.534 1.00 87.05 2 A 1 ATOM 14 N N . ILE A 1 3 ? 0.519 0.843 -16.113 1.00 94.25 3 A 1 ATOM 15 C CA . ILE A 1 3 ? 0.139 2.254 -16.181 1.00 95.22 3 A 1 ATOM 16 C C . ILE A 1 3 ? 0.673 2.859 -17.480 1.00 95.79 3 A 1 ATOM 17 O O . ILE A 1 3 ? 1.865 2.792 -17.764 1.00 95.72 3 A 1 ATOM 18 C CB . ILE A 1 3 ? 0.626 3.015 -14.927 1.00 95.33 3 A 1 ATOM 19 C CG1 . ILE A 1 3 ? -0.066 2.446 -13.664 1.00 94.44 3 A 1 ATOM 20 C CG2 . ILE A 1 3 ? 0.361 4.526 -15.068 1.00 94.19 3 A 1 ATOM 21 C CD1 . ILE A 1 3 ? 0.441 3.038 -12.343 1.00 93.14 3 A 1 ATOM 22 N N . ASN A 1 4 ? -0.211 3.521 -18.231 1.00 96.55 4 A 1 ATOM 23 C CA . ASN A 1 4 ? 0.195 4.455 -19.276 1.00 96.86 4 A 1 ATOM 24 C C . ASN A 1 4 ? 0.175 5.876 -18.681 1.00 96.76 4 A 1 ATOM 25 O O . ASN A 1 4 ? -0.895 6.444 -18.436 1.00 96.43 4 A 1 ATOM 26 C CB . ASN A 1 4 ? -0.710 4.277 -20.506 1.00 96.81 4 A 1 ATOM 27 C CG . ASN A 1 4 ? -0.333 5.215 -21.642 1.00 96.85 4 A 1 ATOM 28 O OD1 . ASN A 1 4 ? -0.089 6.394 -21.463 1.00 94.02 4 A 1 ATOM 29 N ND2 . ASN A 1 4 ? -0.294 4.738 -22.860 1.00 92.89 4 A 1 ATOM 30 N N . PHE A 1 5 ? 1.363 6.439 -18.440 1.00 95.69 5 A 1 ATOM 31 C CA . PHE A 1 5 ? 1.514 7.720 -17.740 1.00 95.43 5 A 1 ATOM 32 C C . PHE A 1 5 ? 1.003 8.934 -18.531 1.00 95.47 5 A 1 ATOM 33 O O . PHE A 1 5 ? 0.674 9.956 -17.923 1.00 94.44 5 A 1 ATOM 34 C CB . PHE A 1 5 ? 2.976 7.903 -17.321 1.00 95.33 5 A 1 ATOM 35 C CG . PHE A 1 5 ? 3.367 7.067 -16.114 1.00 96.05 5 A 1 ATOM 36 C CD1 . PHE A 1 5 ? 3.300 7.631 -14.826 1.00 94.68 5 A 1 ATOM 37 C CD2 . PHE A 1 5 ? 3.780 5.735 -16.268 1.00 95.19 5 A 1 ATOM 38 C CE1 . PHE A 1 5 ? 3.664 6.868 -13.702 1.00 94.27 5 A 1 ATOM 39 C CE2 . PHE A 1 5 ? 4.138 4.967 -15.146 1.00 94.31 5 A 1 ATOM 40 C CZ . PHE A 1 5 ? 4.087 5.536 -13.863 1.00 94.78 5 A 1 ATOM 41 N N . GLU A 1 6 ? 0.858 8.851 -19.855 1.00 95.49 6 A 1 ATOM 42 C CA . GLU A 1 6 ? 0.230 9.925 -20.641 1.00 95.42 6 A 1 ATOM 43 C C . GLU A 1 6 ? -1.273 10.028 -20.361 1.00 95.45 6 A 1 ATOM 44 O O . GLU A 1 6 ? -1.848 11.121 -20.398 1.00 93.88 6 A 1 ATOM 45 C CB . GLU A 1 6 ? 0.425 9.702 -22.144 1.00 95.32 6 A 1 ATOM 46 C CG . GLU A 1 6 ? 1.885 9.823 -22.597 1.00 88.50 6 A 1 ATOM 47 C CD . GLU A 1 6 ? 2.018 9.806 -24.126 1.00 85.31 6 A 1 ATOM 48 O OE1 . GLU A 1 6 ? 2.998 10.397 -24.624 1.00 77.01 6 A 1 ATOM 49 O OE2 . GLU A 1 6 ? 1.138 9.212 -24.799 1.00 79.16 6 A 1 ATOM 50 N N . LYS A 1 7 ? -1.915 8.888 -20.077 1.00 95.95 7 A 1 ATOM 51 C CA . LYS A 1 7 ? -3.356 8.784 -19.803 1.00 95.27 7 A 1 ATOM 52 C C . LYS A 1 7 ? -3.676 8.790 -18.314 1.00 95.52 7 A 1 ATOM 53 O O . LYS A 1 7 ? -4.845 8.927 -17.948 1.00 94.27 7 A 1 ATOM 54 C CB . LYS A 1 7 ? -3.915 7.521 -20.472 1.00 95.09 7 A 1 ATOM 55 C CG . LYS A 1 7 ? -3.732 7.541 -21.995 1.00 93.63 7 A 1 ATOM 56 C CD . LYS A 1 7 ? -4.263 6.244 -22.612 1.00 89.70 7 A 1 ATOM 57 C CE . LYS A 1 7 ? -3.946 6.229 -24.108 1.00 84.79 7 A 1 ATOM 58 N NZ . LYS A 1 7 ? -4.220 4.902 -24.704 1.00 76.12 7 A 1 ATOM 59 N N . PHE A 1 8 ? -2.664 8.626 -17.458 1.00 95.12 8 A 1 ATOM 60 C CA . PHE A 1 8 ? -2.845 8.580 -16.014 1.00 94.41 8 A 1 ATOM 61 C C . PHE A 1 8 ? -3.357 9.926 -15.473 1.00 94.57 8 A 1 ATOM 62 O O . PHE A 1 8 ? -3.027 11.006 -15.972 1.00 93.99 8 A 1 ATOM 63 C CB . PHE A 1 8 ? -1.542 8.146 -15.337 1.00 94.11 8 A 1 ATOM 64 C CG . PHE A 1 8 ? -1.744 7.665 -13.913 1.00 94.65 8 A 1 ATOM 65 C CD1 . PHE A 1 8 ? -1.473 8.515 -12.822 1.00 92.47 8 A 1 ATOM 66 C CD2 . PHE A 1 8 ? -2.213 6.362 -13.673 1.00 92.70 8 A 1 ATOM 67 C CE1 . PHE A 1 8 ? -1.659 8.056 -11.504 1.00 91.15 8 A 1 ATOM 68 C CE2 . PHE A 1 8 ? -2.402 5.903 -12.355 1.00 91.37 8 A 1 ATOM 69 C CZ . PHE A 1 8 ? -2.121 6.749 -11.269 1.00 91.56 8 A 1 ATOM 70 N N . ASN A 1 9 ? -4.176 9.873 -14.417 1.00 95.21 9 A 1 ATOM 71 C CA . ASN A 1 9 ? -4.700 11.084 -13.798 1.00 94.93 9 A 1 ATOM 72 C C . ASN A 1 9 ? -3.559 11.891 -13.152 1.00 95.30 9 A 1 ATOM 73 O O . ASN A 1 9 ? -2.986 11.496 -12.137 1.00 95.54 9 A 1 ATOM 74 C CB . ASN A 1 9 ? -5.810 10.697 -12.806 1.00 94.32 9 A 1 ATOM 75 C CG . ASN A 1 9 ? -6.459 11.902 -12.146 1.00 93.44 9 A 1 ATOM 76 O OD1 . ASN A 1 9 ? -5.851 12.932 -11.904 1.00 89.07 9 A 1 ATOM 77 N ND2 . ASN A 1 9 ? -7.729 11.824 -11.832 1.00 86.21 9 A 1 ATOM 78 N N . LYS A 1 10 ? -3.273 13.073 -13.708 1.00 95.16 10 A 1 ATOM 79 C CA . LYS A 1 10 ? -2.176 13.942 -13.249 1.00 95.04 10 A 1 ATOM 80 C C . LYS A 1 10 ? -2.329 14.407 -11.799 1.00 95.62 10 A 1 ATOM 81 O O . LYS A 1 10 ? -1.329 14.584 -11.116 1.00 95.00 10 A 1 ATOM 82 C CB . LYS A 1 10 ? -2.039 15.164 -14.173 1.00 94.51 10 A 1 ATOM 83 C CG . LYS A 1 10 ? -1.643 14.771 -15.602 1.00 88.82 10 A 1 ATOM 84 C CD . LYS A 1 10 ? -1.382 16.011 -16.471 1.00 79.31 10 A 1 ATOM 85 C CE . LYS A 1 10 ? -0.975 15.551 -17.872 1.00 72.93 10 A 1 ATOM 86 N NZ . LYS A 1 10 ? -0.630 16.686 -18.770 1.00 60.68 10 A 1 ATOM 87 N N . GLN A 1 11 ? -3.557 14.610 -11.327 1.00 95.22 11 A 1 ATOM 88 C CA . GLN A 1 11 ? -3.806 14.992 -9.935 1.00 94.67 11 A 1 ATOM 89 C C . GLN A 1 11 ? -3.506 13.824 -8.995 1.00 94.74 11 A 1 ATOM 90 O O . GLN A 1 11 ? -2.840 14.007 -7.981 1.00 93.91 11 A 1 ATOM 91 C CB . GLN A 1 11 ? -5.254 15.457 -9.745 1.00 94.93 11 A 1 ATOM 92 C CG . GLN A 1 11 ? -5.567 16.766 -10.490 1.00 82.23 11 A 1 ATOM 93 C CD . GLN A 1 11 ? -7.025 17.197 -10.333 1.00 74.70 11 A 1 ATOM 94 O OE1 . GLN A 1 11 ? -7.914 16.435 -9.995 1.00 68.04 11 A 1 ATOM 95 N NE2 . GLN A 1 11 ? -7.340 18.445 -10.600 1.00 63.77 11 A 1 ATOM 96 N N . GLN A 1 12 ? -3.931 12.613 -9.368 1.00 94.74 12 A 1 ATOM 97 C CA . GLN A 1 12 ? -3.619 11.405 -8.609 1.00 93.72 12 A 1 ATOM 98 C C . GLN A 1 12 ? -2.109 11.142 -8.582 1.00 94.50 12 A 1 ATOM 99 O O . GLN A 1 12 ? -1.561 10.868 -7.518 1.00 94.36 12 A 1 ATOM 100 C CB . GLN A 1 12 ? -4.394 10.233 -9.218 1.00 92.39 12 A 1 ATOM 101 C CG . GLN A 1 12 ? -4.281 8.947 -8.385 1.00 82.24 12 A 1 ATOM 102 C CD . GLN A 1 12 ? -5.101 7.808 -8.983 1.00 79.75 12 A 1 ATOM 103 O OE1 . GLN A 1 12 ? -5.702 7.923 -10.041 1.00 73.16 12 A 1 ATOM 104 N NE2 . GLN A 1 12 ? -5.165 6.670 -8.331 1.00 69.25 12 A 1 ATOM 105 N N . LEU A 1 13 ? -1.424 11.303 -9.721 1.00 94.73 13 A 1 ATOM 106 C CA . LEU A 1 13 ? 0.034 11.183 -9.779 1.00 95.65 13 A 1 ATOM 107 C C . LEU A 1 13 ? 0.722 12.191 -8.852 1.00 96.11 13 A 1 ATOM 108 O O . LEU A 1 13 ? 1.624 11.813 -8.113 1.00 96.26 13 A 1 ATOM 109 C CB . LEU A 1 13 ? 0.511 11.337 -11.235 1.00 95.99 13 A 1 ATOM 110 C CG . LEU A 1 13 ? 2.027 11.122 -11.419 1.00 95.27 13 A 1 ATOM 111 C CD1 . LEU A 1 13 ? 2.477 9.727 -10.980 1.00 93.29 13 A 1 ATOM 112 C CD2 . LEU A 1 13 ? 2.389 11.301 -12.896 1.00 93.40 13 A 1 ATOM 113 N N . ALA A 1 14 ? 0.267 13.442 -8.837 1.00 95.94 14 A 1 ATOM 114 C CA . ALA A 1 14 ? 0.822 14.470 -7.953 1.00 95.96 14 A 1 ATOM 115 C C . ALA A 1 14 ? 0.663 14.110 -6.463 1.00 96.00 14 A 1 ATOM 116 O O . ALA A 1 14 ? 1.607 14.281 -5.692 1.00 95.43 14 A 1 ATOM 117 C CB . ALA A 1 14 ? 0.168 15.817 -8.285 1.00 96.31 14 A 1 ATOM 118 N N . VAL A 1 15 ? -0.488 13.544 -6.071 1.00 95.42 15 A 1 ATOM 119 C CA . VAL A 1 15 ? -0.720 13.058 -4.697 1.00 94.51 15 A 1 ATOM 120 C C . VAL A 1 15 ? 0.224 11.907 -4.351 1.00 95.22 15 A 1 ATOM 121 O O . VAL A 1 15 ? 0.824 11.905 -3.274 1.00 95.23 15 A 1 ATOM 122 C CB . VAL A 1 15 ? -2.192 12.640 -4.505 1.00 93.81 15 A 1 ATOM 123 C CG1 . VAL A 1 15 ? -2.444 11.959 -3.151 1.00 91.10 15 A 1 ATOM 124 C CG2 . VAL A 1 15 ? -3.119 13.866 -4.574 1.00 91.07 15 A 1 ATOM 125 N N . VAL A 1 16 ? 0.408 10.944 -5.266 1.00 94.52 16 A 1 ATOM 126 C CA . VAL A 1 16 ? 1.356 9.832 -5.067 1.00 95.07 16 A 1 ATOM 127 C C . VAL A 1 16 ? 2.792 10.345 -4.950 1.00 95.86 16 A 1 ATOM 128 O O . VAL A 1 16 ? 3.523 9.911 -4.060 1.00 96.17 16 A 1 ATOM 129 C CB . VAL A 1 16 ? 1.237 8.792 -6.197 1.00 94.83 16 A 1 ATOM 130 C CG1 . VAL A 1 16 ? 2.324 7.712 -6.100 1.00 92.51 16 A 1 ATOM 131 C CG2 . VAL A 1 16 ? -0.121 8.079 -6.137 1.00 92.50 16 A 1 ATOM 132 N N . CYS A 1 17 ? 3.188 11.300 -5.796 1.00 95.83 17 A 1 ATOM 133 C CA . CYS A 1 17 ? 4.511 11.917 -5.722 1.00 95.86 17 A 1 ATOM 134 C C . CYS A 1 17 ? 4.725 12.646 -4.394 1.00 96.10 17 A 1 ATOM 135 O O . CYS A 1 17 ? 5.781 12.494 -3.782 1.00 96.07 17 A 1 ATOM 136 C CB . CYS A 1 17 ? 4.702 12.877 -6.906 1.00 96.05 17 A 1 ATOM 137 S SG . CYS A 1 17 ? 4.857 11.936 -8.450 1.00 94.99 17 A 1 ATOM 138 N N . GLN A 1 18 ? 3.724 13.387 -3.924 1.00 96.34 18 A 1 ATOM 139 C CA . GLN A 1 18 ? 3.788 14.049 -2.625 1.00 95.85 18 A 1 ATOM 140 C C . GLN A 1 18 ? 3.943 13.035 -1.484 1.00 96.09 18 A 1 ATOM 141 O O . GLN A 1 18 ? 4.844 13.185 -0.658 1.00 95.93 18 A 1 ATOM 142 C CB . GLN A 1 18 ? 2.551 14.935 -2.435 1.00 95.97 18 A 1 ATOM 143 C CG . GLN A 1 18 ? 2.640 15.680 -1.091 1.00 84.28 18 A 1 ATOM 144 C CD . GLN A 1 18 ? 1.434 16.549 -0.784 1.00 79.11 18 A 1 ATOM 145 O OE1 . GLN A 1 18 ? 0.630 16.915 -1.630 1.00 71.58 18 A 1 ATOM 146 N NE2 . GLN A 1 18 ? 1.284 16.920 0.472 1.00 67.93 18 A 1 ATOM 147 N N . LEU A 1 19 ? 3.125 11.975 -1.464 1.00 95.10 19 A 1 ATOM 148 C CA . LEU A 1 19 ? 3.218 10.915 -0.461 1.00 94.78 19 A 1 ATOM 149 C C . LEU A 1 19 ? 4.590 10.227 -0.497 1.00 95.42 19 A 1 ATOM 150 O O . LEU A 1 19 ? 5.180 9.977 0.551 1.00 95.53 19 A 1 ATOM 151 C CB . LEU A 1 19 ? 2.066 9.918 -0.689 1.00 94.74 19 A 1 ATOM 152 C CG . LEU A 1 19 ? 2.050 8.737 0.306 1.00 89.90 19 A 1 ATOM 153 C CD1 . LEU A 1 19 ? 1.899 9.196 1.759 1.00 86.58 19 A 1 ATOM 154 C CD2 . LEU A 1 19 ? 0.885 7.800 -0.022 1.00 87.79 19 A 1 ATOM 155 N N . GLY A 1 20 ? 5.119 9.954 -1.693 1.00 94.97 20 A 1 ATOM 156 C CA . GLY A 1 20 ? 6.461 9.397 -1.863 1.00 94.99 20 A 1 ATOM 157 C C . GLY A 1 20 ? 7.547 10.292 -1.278 1.00 95.29 20 A 1 ATOM 158 O O . GLY A 1 20 ? 8.391 9.812 -0.524 1.00 95.05 20 A 1 ATOM 159 N N . ASN A 1 21 ? 7.481 11.601 -1.536 1.00 96.01 21 A 1 ATOM 160 C CA . ASN A 1 21 ? 8.423 12.572 -0.975 1.00 95.84 21 A 1 ATOM 161 C C . ASN A 1 21 ? 8.338 12.644 0.563 1.00 95.64 21 A 1 ATOM 162 O O . ASN A 1 21 ? 9.359 12.763 1.237 1.00 94.86 21 A 1 ATOM 163 C CB . ASN A 1 21 ? 8.148 13.955 -1.584 1.00 95.96 21 A 1 ATOM 164 C CG . ASN A 1 21 ? 8.416 14.051 -3.077 1.00 95.05 21 A 1 ATOM 165 O OD1 . ASN A 1 21 ? 9.096 13.253 -3.695 1.00 89.27 21 A 1 ATOM 166 N ND2 . ASN A 1 21 ? 7.893 15.074 -3.714 1.00 89.41 21 A 1 ATOM 167 N N . GLU A 1 22 ? 7.135 12.562 1.130 1.00 95.34 22 A 1 ATOM 168 C CA . GLU A 1 22 ? 6.931 12.539 2.584 1.00 94.65 22 A 1 ATOM 169 C C . GLU A 1 22 ? 7.505 11.264 3.222 1.00 94.58 22 A 1 ATOM 170 O O . GLU A 1 22 ? 8.115 11.330 4.291 1.00 93.37 22 A 1 ATOM 171 C CB . GLU A 1 22 ? 5.435 12.673 2.910 1.00 95.01 22 A 1 ATOM 172 C CG . GLU A 1 22 ? 4.889 14.095 2.670 1.00 89.25 22 A 1 ATOM 173 C CD . GLU A 1 22 ? 3.369 14.229 2.907 1.00 84.02 22 A 1 ATOM 174 O OE1 . GLU A 1 22 ? 2.792 15.251 2.445 1.00 72.47 22 A 1 ATOM 175 O OE2 . GLU A 1 22 ? 2.786 13.339 3.572 1.00 73.70 22 A 1 ATOM 176 N N . ILE A 1 23 ? 7.358 10.114 2.556 1.00 93.35 23 A 1 ATOM 177 C CA . ILE A 1 23 ? 7.976 8.849 2.973 1.00 93.00 23 A 1 ATOM 178 C C . ILE A 1 23 ? 9.502 8.964 2.924 1.00 92.54 23 A 1 ATOM 179 O O . ILE A 1 23 ? 10.156 8.675 3.925 1.00 91.82 23 A 1 ATOM 180 C CB . ILE A 1 23 ? 7.456 7.672 2.112 1.00 93.56 23 A 1 ATOM 181 C CG1 . ILE A 1 23 ? 5.977 7.375 2.445 1.00 93.18 23 A 1 ATOM 182 C CG2 . ILE A 1 23 ? 8.296 6.400 2.328 1.00 93.30 23 A 1 ATOM 183 C CD1 . ILE A 1 23 ? 5.287 6.480 1.405 1.00 91.01 23 A 1 ATOM 184 N N . ASP A 1 24 ? 10.067 9.429 1.810 1.00 93.93 24 A 1 ATOM 185 C CA . ASP A 1 24 ? 11.518 9.565 1.625 1.00 93.14 24 A 1 ATOM 186 C C . ASP A 1 24 ? 12.142 10.539 2.641 1.00 93.03 24 A 1 ATOM 187 O O . ASP A 1 24 ? 13.263 10.333 3.114 1.00 92.08 24 A 1 ATOM 188 C CB . ASP A 1 24 ? 11.817 10.019 0.177 1.00 92.62 24 A 1 ATOM 189 C CG . ASP A 1 24 ? 11.542 8.950 -0.897 1.00 91.75 24 A 1 ATOM 190 O OD1 . ASP A 1 24 ? 11.479 7.746 -0.559 1.00 88.72 24 A 1 ATOM 191 O OD2 . ASP A 1 24 ? 11.420 9.315 -2.090 1.00 88.49 24 A 1 ATOM 192 N N . ALA A 1 25 ? 11.402 11.575 3.039 1.00 94.44 25 A 1 ATOM 193 C CA . ALA A 1 25 ? 11.822 12.532 4.065 1.00 94.24 25 A 1 ATOM 194 C C . ALA A 1 25 ? 11.699 12.001 5.509 1.00 93.83 25 A 1 ATOM 195 O O . ALA A 1 25 ? 12.176 12.651 6.444 1.00 92.35 25 A 1 ATOM 196 C CB . ALA A 1 25 ? 11.010 13.816 3.869 1.00 94.47 25 A 1 ATOM 197 N N . THR A 1 26 ? 11.059 10.850 5.729 1.00 91.92 26 A 1 ATOM 198 C CA . THR A 1 26 ? 10.786 10.290 7.062 1.00 90.18 26 A 1 ATOM 199 C C . THR A 1 26 ? 11.472 8.929 7.237 1.00 89.45 26 A 1 ATOM 200 O O . THR A 1 26 ? 10.853 7.894 6.988 1.00 87.75 26 A 1 ATOM 201 C CB . THR A 1 26 ? 9.274 10.177 7.320 1.00 90.04 26 A 1 ATOM 202 O OG1 . THR A 1 26 ? 8.636 11.407 7.080 1.00 87.08 26 A 1 ATOM 203 C CG2 . THR A 1 26 ? 8.981 9.828 8.785 1.00 85.82 26 A 1 ATOM 204 N N . PRO A 1 27 ? 12.734 8.875 7.737 1.00 88.77 27 A 1 ATOM 205 C CA . PRO A 1 27 ? 13.513 7.633 7.807 1.00 87.09 27 A 1 ATOM 206 C C . PRO A 1 27 ? 12.807 6.471 8.517 1.00 86.76 27 A 1 ATOM 207 O O . PRO A 1 27 ? 12.902 5.326 8.090 1.00 83.85 27 A 1 ATOM 208 C CB . PRO A 1 27 ? 14.811 8.012 8.526 1.00 86.69 27 A 1 ATOM 209 C CG . PRO A 1 27 ? 14.992 9.481 8.160 1.00 85.71 27 A 1 ATOM 210 C CD . PRO A 1 27 ? 13.560 10.007 8.121 1.00 88.61 27 A 1 ATOM 211 N N . ASP A 1 28 ? 12.062 6.741 9.586 1.00 86.10 28 A 1 ATOM 212 C CA . ASP A 1 28 ? 11.339 5.690 10.307 1.00 84.39 28 A 1 ATOM 213 C C . ASP A 1 28 ? 10.236 5.031 9.462 1.00 85.44 28 A 1 ATOM 214 O O . ASP A 1 28 ? 9.944 3.852 9.658 1.00 83.02 28 A 1 ATOM 215 C CB . ASP A 1 28 ? 10.760 6.245 11.614 1.00 82.06 28 A 1 ATOM 216 C CG . ASP A 1 28 ? 11.802 6.435 12.728 1.00 76.44 28 A 1 ATOM 217 O OD1 . ASP A 1 28 ? 12.963 5.974 12.574 1.00 71.27 28 A 1 ATOM 218 O OD2 . ASP A 1 28 ? 11.406 6.976 13.787 1.00 71.62 28 A 1 ATOM 219 N N . VAL A 1 29 ? 9.654 5.771 8.513 1.00 86.15 29 A 1 ATOM 220 C CA . VAL A 1 29 ? 8.637 5.270 7.576 1.00 86.33 29 A 1 ATOM 221 C C . VAL A 1 29 ? 9.296 4.693 6.323 1.00 87.19 29 A 1 ATOM 222 O O . VAL A 1 29 ? 8.870 3.642 5.847 1.00 85.31 29 A 1 ATOM 223 C CB . VAL A 1 29 ? 7.626 6.374 7.205 1.00 86.18 29 A 1 ATOM 224 C CG1 . VAL A 1 29 ? 6.508 5.839 6.299 1.00 82.68 29 A 1 ATOM 225 C CG2 . VAL A 1 29 ? 6.961 6.963 8.456 1.00 83.67 29 A 1 ATOM 226 N N . HIS A 1 30 ? 10.349 5.346 5.820 1.00 87.12 30 A 1 ATOM 227 C CA . HIS A 1 30 ? 11.069 4.941 4.617 1.00 87.78 30 A 1 ATOM 228 C C . HIS A 1 30 ? 11.818 3.618 4.789 1.00 88.38 30 A 1 ATOM 229 O O . HIS A 1 30 ? 11.708 2.719 3.951 1.00 86.74 30 A 1 ATOM 230 C CB . HIS A 1 30 ? 12.034 6.064 4.222 1.00 87.30 30 A 1 ATOM 231 C CG . HIS A 1 30 ? 12.904 5.692 3.052 1.00 87.00 30 A 1 ATOM 232 N ND1 . HIS A 1 30 ? 14.169 5.151 3.128 1.00 77.00 30 A 1 ATOM 233 C CD2 . HIS A 1 30 ? 12.568 5.773 1.725 1.00 76.35 30 A 1 ATOM 234 C CE1 . HIS A 1 30 ? 14.587 4.917 1.873 1.00 76.42 30 A 1 ATOM 235 N NE2 . HIS A 1 30 ? 13.642 5.274 0.989 1.00 78.79 30 A 1 ATOM 236 N N . ASP A 1 31 ? 12.572 3.481 5.887 1.00 89.22 31 A 1 ATOM 237 C CA . ASP A 1 31 ? 13.561 2.428 6.044 1.00 89.38 31 A 1 ATOM 238 C C . ASP A 1 31 ? 12.921 1.039 6.150 1.00 89.76 31 A 1 ATOM 239 O O . ASP A 1 31 ? 11.932 0.809 6.855 1.00 89.45 31 A 1 ATOM 240 C CB . ASP A 1 31 ? 14.477 2.681 7.250 1.00 88.00 31 A 1 ATOM 241 C CG . ASP A 1 31 ? 15.394 3.907 7.164 1.00 84.21 31 A 1 ATOM 242 O OD1 . ASP A 1 31 ? 15.547 4.476 6.064 1.00 80.50 31 A 1 ATOM 243 O OD2 . ASP A 1 31 ? 15.953 4.241 8.246 1.00 79.89 31 A 1 ATOM 244 N N . ILE A 1 32 ? 13.561 0.083 5.481 1.00 90.88 32 A 1 ATOM 245 C CA . ILE A 1 32 ? 13.309 -1.349 5.607 1.00 91.45 32 A 1 ATOM 246 C C . ILE A 1 32 ? 14.502 -1.958 6.334 1.00 91.23 32 A 1 ATOM 247 O O . ILE A 1 32 ? 15.649 -1.686 5.988 1.00 89.28 32 A 1 ATOM 248 C CB . ILE A 1 32 ? 13.088 -1.991 4.222 1.00 91.36 32 A 1 ATOM 249 C CG1 . ILE A 1 32 ? 11.938 -1.332 3.423 1.00 89.94 32 A 1 ATOM 250 C CG2 . ILE A 1 32 ? 12.855 -3.506 4.344 1.00 90.77 32 A 1 ATOM 251 C CD1 . ILE A 1 32 ? 10.574 -1.295 4.121 1.00 86.15 32 A 1 ATOM 252 N N . ILE A 1 33 ? 14.236 -2.802 7.333 1.00 92.22 33 A 1 ATOM 253 C CA . ILE A 1 33 ? 15.272 -3.472 8.118 1.00 91.91 33 A 1 ATOM 254 C C . ILE A 1 33 ? 15.209 -4.983 7.928 1.00 92.89 33 A 1 ATOM 255 O O . ILE A 1 33 ? 14.135 -5.551 7.727 1.00 92.30 33 A 1 ATOM 256 C CB . ILE A 1 33 ? 15.218 -3.066 9.607 1.00 90.23 33 A 1 ATOM 257 C CG1 . ILE A 1 33 ? 13.925 -3.530 10.306 1.00 82.71 33 A 1 ATOM 258 C CG2 . ILE A 1 33 ? 15.411 -1.542 9.750 1.00 80.75 33 A 1 ATOM 259 C CD1 . ILE A 1 33 ? 14.004 -3.414 11.829 1.00 77.21 33 A 1 ATOM 260 N N . GLU A 1 34 ? 16.367 -5.626 8.042 1.00 90.06 34 A 1 ATOM 261 C CA . GLU A 1 34 ? 16.446 -7.077 8.177 1.00 90.45 34 A 1 ATOM 262 C C . GLU A 1 34 ? 15.969 -7.500 9.564 1.00 89.83 34 A 1 ATOM 263 O O . GLU A 1 34 ? 16.344 -6.913 10.586 1.00 88.58 34 A 1 ATOM 264 C CB . GLU A 1 34 ? 17.874 -7.577 7.927 1.00 89.10 34 A 1 ATOM 265 C CG . GLU A 1 34 ? 18.294 -7.400 6.460 1.00 78.73 34 A 1 ATOM 266 C CD . GLU A 1 34 ? 19.698 -7.941 6.162 1.00 75.14 34 A 1 ATOM 267 O OE1 . GLU A 1 34 ? 20.169 -7.694 5.029 1.00 67.32 34 A 1 ATOM 268 O OE2 . GLU A 1 34 ? 20.298 -8.586 7.055 1.00 69.99 34 A 1 ATOM 269 N N . PHE A 1 35 ? 15.142 -8.541 9.615 1.00 90.47 35 A 1 ATOM 270 C CA . PHE A 1 35 ? 14.608 -9.074 10.856 1.00 90.60 35 A 1 ATOM 271 C C . PHE A 1 35 ? 14.285 -10.562 10.707 1.00 90.75 35 A 1 ATOM 272 O O . PHE A 1 35 ? 13.505 -10.949 9.840 1.00 88.80 35 A 1 ATOM 273 C CB . PHE A 1 35 ? 13.369 -8.267 11.263 1.00 90.70 35 A 1 ATOM 274 C CG . PHE A 1 35 ? 12.778 -8.692 12.589 1.00 91.39 35 A 1 ATOM 275 C CD1 . PHE A 1 35 ? 11.546 -9.373 12.636 1.00 88.36 35 A 1 ATOM 276 C CD2 . PHE A 1 35 ? 13.464 -8.411 13.782 1.00 89.29 35 A 1 ATOM 277 C CE1 . PHE A 1 35 ? 11.000 -9.756 13.873 1.00 88.13 35 A 1 ATOM 278 C CE2 . PHE A 1 35 ? 12.918 -8.797 15.021 1.00 88.63 35 A 1 ATOM 279 C CZ . PHE A 1 35 ? 11.686 -9.468 15.067 1.00 89.67 35 A 1 ATOM 280 N N . ARG A 1 36 ? 14.882 -11.404 11.561 1.00 91.66 36 A 1 ATOM 281 C CA . ARG A 1 36 ? 14.661 -12.866 11.600 1.00 91.81 36 A 1 ATOM 282 C C . ARG A 1 36 ? 14.781 -13.559 10.226 1.00 91.46 36 A 1 ATOM 283 O O . ARG A 1 36 ? 13.997 -14.453 9.921 1.00 87.35 36 A 1 ATOM 284 C CB . ARG A 1 36 ? 13.323 -13.185 12.299 1.00 91.80 36 A 1 ATOM 285 C CG . ARG A 1 36 ? 13.293 -12.768 13.774 1.00 91.15 36 A 1 ATOM 286 C CD . ARG A 1 36 ? 11.933 -13.114 14.392 1.00 88.69 36 A 1 ATOM 287 N NE . ARG A 1 36 ? 11.912 -12.800 15.829 1.00 84.18 36 A 1 ATOM 288 C CZ . ARG A 1 36 ? 10.883 -12.904 16.652 1.00 78.87 36 A 1 ATOM 289 N NH1 . ARG A 1 36 ? 9.704 -13.311 16.268 1.00 75.33 36 A 1 ATOM 290 N NH2 . ARG A 1 36 ? 11.025 -12.596 17.907 1.00 71.61 36 A 1 ATOM 291 N N . GLY A 1 37 ? 15.765 -13.166 9.430 1.00 89.68 37 A 1 ATOM 292 C CA . GLY A 1 37 ? 16.034 -13.757 8.110 1.00 88.29 37 A 1 ATOM 293 C C . GLY A 1 37 ? 15.171 -13.225 6.957 1.00 89.70 37 A 1 ATOM 294 O O . GLY A 1 37 ? 15.260 -13.759 5.863 1.00 85.51 37 A 1 ATOM 295 N N . GLY A 1 38 ? 14.357 -12.195 7.190 1.00 91.34 38 A 1 ATOM 296 C CA . GLY A 1 38 ? 13.616 -11.484 6.151 1.00 92.18 38 A 1 ATOM 297 C C . GLY A 1 38 ? 13.649 -9.973 6.368 1.00 93.79 38 A 1 ATOM 298 O O . GLY A 1 38 ? 14.567 -9.450 7.007 1.00 92.63 38 A 1 ATOM 299 N N . PHE A 1 39 ? 12.644 -9.275 5.872 1.00 92.40 39 A 1 ATOM 300 C CA . PHE A 1 39 ? 12.568 -7.820 5.870 1.00 92.73 39 A 1 ATOM 301 C C . PHE A 1 39 ? 11.242 -7.326 6.446 1.00 93.12 39 A 1 ATOM 302 O O . PHE A 1 39 ? 10.181 -7.895 6.198 1.00 91.82 39 A 1 ATOM 303 C CB . PHE A 1 39 ? 12.775 -7.303 4.444 1.00 91.92 39 A 1 ATOM 304 C CG . PHE A 1 39 ? 14.098 -7.707 3.824 1.00 91.99 39 A 1 ATOM 305 C CD1 . PHE A 1 39 ? 15.228 -6.882 3.965 1.00 89.15 39 A 1 ATOM 306 C CD2 . PHE A 1 39 ? 14.205 -8.927 3.128 1.00 90.57 39 A 1 ATOM 307 C CE1 . PHE A 1 39 ? 16.461 -7.275 3.419 1.00 88.92 39 A 1 ATOM 308 C CE2 . PHE A 1 39 ? 15.441 -9.322 2.587 1.00 89.22 39 A 1 ATOM 309 C CZ . PHE A 1 39 ? 16.569 -8.496 2.733 1.00 89.74 39 A 1 ATOM 310 N N . ILE A 1 40 ? 11.298 -6.220 7.191 1.00 93.08 40 A 1 ATOM 311 C CA . ILE A 1 40 ? 10.102 -5.526 7.672 1.00 92.90 40 A 1 ATOM 312 C C . ILE A 1 40 ? 10.270 -4.005 7.578 1.00 92.27 40 A 1 ATOM 313 O O . ILE A 1 40 ? 11.393 -3.497 7.674 1.00 91.87 40 A 1 ATOM 314 C CB . ILE A 1 40 ? 9.707 -5.961 9.105 1.00 92.29 40 A 1 ATOM 315 C CG1 . ILE A 1 40 ? 10.794 -5.626 10.145 1.00 87.36 40 A 1 ATOM 316 C CG2 . ILE A 1 40 ? 9.341 -7.455 9.134 1.00 86.96 40 A 1 ATOM 317 C CD1 . ILE A 1 40 ? 10.378 -5.924 11.591 1.00 85.19 40 A 1 ATOM 318 N N . PRO A 1 41 ? 9.164 -3.232 7.442 1.00 92.23 41 A 1 ATOM 319 C CA . PRO A 1 41 ? 9.217 -1.787 7.597 1.00 90.73 41 A 1 ATOM 320 C C . PRO A 1 41 ? 9.722 -1.409 8.996 1.00 91.32 41 A 1 ATOM 321 O O . PRO A 1 41 ? 9.217 -1.916 10.004 1.00 90.75 41 A 1 ATOM 322 C CB . PRO A 1 41 ? 7.788 -1.287 7.349 1.00 89.59 41 A 1 ATOM 323 C CG . PRO A 1 41 ? 7.135 -2.421 6.549 1.00 88.18 41 A 1 ATOM 324 C CD . PRO A 1 41 ? 7.821 -3.666 7.102 1.00 89.86 41 A 1 ATOM 325 N N . LYS A 1 42 ? 10.689 -0.488 9.077 1.00 89.43 42 A 1 ATOM 326 C CA . LYS A 1 42 ? 11.279 -0.040 10.351 1.00 90.07 42 A 1 ATOM 327 C C . LYS A 1 42 ? 10.213 0.468 11.324 1.00 90.45 42 A 1 ATOM 328 O O . LYS A 1 42 ? 10.282 0.164 12.513 1.00 90.20 42 A 1 ATOM 329 C CB . LYS A 1 42 ? 12.327 1.032 10.049 1.00 89.84 42 A 1 ATOM 330 C CG . LYS A 1 42 ? 13.014 1.602 11.300 1.00 89.75 42 A 1 ATOM 331 C CD . LYS A 1 42 ? 14.038 2.630 10.817 1.00 87.40 42 A 1 ATOM 332 C CE . LYS A 1 42 ? 14.675 3.453 11.929 1.00 82.17 42 A 1 ATOM 333 N NZ . LYS A 1 42 ? 15.341 4.631 11.312 1.00 75.93 42 A 1 ATOM 334 N N . VAL A 1 43 ? 9.192 1.160 10.823 1.00 88.89 43 A 1 ATOM 335 C CA . VAL A 1 43 ? 8.067 1.648 11.640 1.00 87.77 43 A 1 ATOM 336 C C . VAL A 1 43 ? 7.351 0.518 12.391 1.00 89.22 43 A 1 ATOM 337 O O . VAL A 1 43 ? 6.997 0.690 13.555 1.00 89.02 43 A 1 ATOM 338 C CB . VAL A 1 43 ? 7.101 2.477 10.771 1.00 86.33 43 A 1 ATOM 339 C CG1 . VAL A 1 43 ? 6.365 1.651 9.703 1.00 78.36 43 A 1 ATOM 340 C CG2 . VAL A 1 43 ? 6.069 3.213 11.626 1.00 79.08 43 A 1 ATOM 341 N N . VAL A 1 44 ? 7.207 -0.662 11.775 1.00 88.82 44 A 1 ATOM 342 C CA . VAL A 1 44 ? 6.595 -1.846 12.403 1.00 89.21 44 A 1 ATOM 343 C C . VAL A 1 44 ? 7.472 -2.349 13.545 1.00 90.89 44 A 1 ATOM 344 O O . VAL A 1 44 ? 6.976 -2.594 14.646 1.00 90.69 44 A 1 ATOM 345 C CB . VAL A 1 44 ? 6.354 -2.964 11.366 1.00 88.62 44 A 1 ATOM 346 C CG1 . VAL A 1 44 ? 5.827 -4.257 12.005 1.00 86.04 44 A 1 ATOM 347 C CG2 . VAL A 1 44 ? 5.336 -2.519 10.311 1.00 86.44 44 A 1 ATOM 348 N N . TYR A 1 45 ? 8.790 -2.452 13.311 1.00 89.60 45 A 1 ATOM 349 C CA . TYR A 1 45 ? 9.746 -2.866 14.334 1.00 90.78 45 A 1 ATOM 350 C C . TYR A 1 45 ? 9.786 -1.888 15.512 1.00 92.12 45 A 1 ATOM 351 O O . TYR A 1 45 ? 9.637 -2.299 16.662 1.00 92.59 45 A 1 ATOM 352 C CB . TYR A 1 45 ? 11.130 -3.018 13.698 1.00 91.19 45 A 1 ATOM 353 C CG . TYR A 1 45 ? 12.192 -3.436 14.697 1.00 91.03 45 A 1 ATOM 354 C CD1 . TYR A 1 45 ? 13.110 -2.489 15.198 1.00 87.04 45 A 1 ATOM 355 C CD2 . TYR A 1 45 ? 12.242 -4.769 15.147 1.00 87.66 45 A 1 ATOM 356 C CE1 . TYR A 1 45 ? 14.082 -2.880 16.136 1.00 85.78 45 A 1 ATOM 357 C CE2 . TYR A 1 45 ? 13.210 -5.162 16.088 1.00 85.51 45 A 1 ATOM 358 C CZ . TYR A 1 45 ? 14.133 -4.218 16.582 1.00 86.46 45 A 1 ATOM 359 O OH . TYR A 1 45 ? 15.070 -4.599 17.491 1.00 85.16 45 A 1 ATOM 360 N N . VAL A 1 46 ? 9.926 -0.588 15.228 1.00 89.59 46 A 1 ATOM 361 C CA . VAL A 1 46 ? 9.978 0.459 16.261 1.00 89.73 46 A 1 ATOM 362 C C . VAL A 1 46 ? 8.703 0.460 17.105 1.00 90.81 46 A 1 ATOM 363 O O . VAL A 1 46 ? 8.775 0.524 18.333 1.00 91.27 46 A 1 ATOM 364 C CB . VAL A 1 46 ? 10.229 1.838 15.616 1.00 89.49 46 A 1 ATOM 365 C CG1 . VAL A 1 46 ? 10.079 2.989 16.621 1.00 86.39 46 A 1 ATOM 366 C CG2 . VAL A 1 46 ? 11.652 1.921 15.046 1.00 86.66 46 A 1 ATOM 367 N N . ALA A 1 47 ? 7.531 0.330 16.469 1.00 89.79 47 A 1 ATOM 368 C CA . ALA A 1 47 ? 6.262 0.225 17.183 1.00 89.02 47 A 1 ATOM 369 C C . ALA A 1 47 ? 6.206 -1.030 18.070 1.00 90.55 47 A 1 ATOM 370 O O . ALA A 1 47 ? 5.778 -0.954 19.224 1.00 91.06 47 A 1 ATOM 371 C CB . ALA A 1 47 ? 5.120 0.245 16.161 1.00 88.64 47 A 1 ATOM 372 N N . ALA A 1 48 ? 6.678 -2.175 17.571 1.00 89.83 48 A 1 ATOM 373 C CA . ALA A 1 48 ? 6.712 -3.416 18.335 1.00 89.85 48 A 1 ATOM 374 C C . ALA A 1 48 ? 7.676 -3.344 19.531 1.00 91.33 48 A 1 ATOM 375 O O . ALA A 1 48 ? 7.310 -3.768 20.628 1.00 92.05 48 A 1 ATOM 376 C CB . ALA A 1 48 ? 7.054 -4.559 17.380 1.00 90.61 48 A 1 ATOM 377 N N . VAL A 1 49 ? 8.861 -2.738 19.363 1.00 90.73 49 A 1 ATOM 378 C CA . VAL A 1 49 ? 9.823 -2.498 20.456 1.00 90.05 49 A 1 ATOM 379 C C . VAL A 1 49 ? 9.216 -1.593 21.524 1.00 90.87 49 A 1 ATOM 380 O O . VAL A 1 49 ? 9.224 -1.947 22.700 1.00 91.55 49 A 1 ATOM 381 C CB . VAL A 1 49 ? 11.143 -1.902 19.925 1.00 90.55 49 A 1 ATOM 382 C CG1 . VAL A 1 49 ? 12.083 -1.457 21.059 1.00 87.88 49 A 1 ATOM 383 C CG2 . VAL A 1 49 ? 11.920 -2.934 19.098 1.00 88.01 49 A 1 ATOM 384 N N . ARG A 1 50 ? 8.636 -0.457 21.122 1.00 90.63 50 A 1 ATOM 385 C CA . ARG A 1 50 ? 8.017 0.498 22.061 1.00 90.17 50 A 1 ATOM 386 C C . ARG A 1 50 ? 6.898 -0.122 22.896 1.00 91.25 50 A 1 ATOM 387 O O . ARG A 1 50 ? 6.697 0.282 24.035 1.00 91.66 50 A 1 ATOM 388 C CB . ARG A 1 50 ? 7.474 1.710 21.286 1.00 91.11 50 A 1 ATOM 389 C CG . ARG A 1 50 ? 8.588 2.653 20.816 1.00 84.67 50 A 1 ATOM 390 C CD . ARG A 1 50 ? 7.987 3.793 19.984 1.00 81.22 50 A 1 ATOM 391 N NE . ARG A 1 50 ? 9.021 4.720 19.492 1.00 73.45 50 A 1 ATOM 392 C CZ . ARG A 1 50 ? 8.840 5.736 18.658 1.00 66.96 50 A 1 ATOM 393 N NH1 . ARG A 1 50 ? 7.660 6.049 18.197 1.00 61.09 50 A 1 ATOM 394 N NH2 . ARG A 1 50 ? 9.850 6.459 18.263 1.00 58.80 50 A 1 ATOM 395 N N . ASN A 1 51 ? 6.200 -1.099 22.342 1.00 92.49 51 A 1 ATOM 396 C CA . ASN A 1 51 ? 5.097 -1.783 23.015 1.00 91.87 51 A 1 ATOM 397 C C . ASN A 1 51 ? 5.501 -3.127 23.662 1.00 92.36 51 A 1 ATOM 398 O O . ASN A 1 51 ? 4.627 -3.843 24.142 1.00 90.57 51 A 1 ATOM 399 C CB . ASN A 1 51 ? 3.934 -1.924 22.018 1.00 92.16 51 A 1 ATOM 400 C CG . ASN A 1 51 ? 3.314 -0.584 21.667 1.00 89.68 51 A 1 ATOM 401 O OD1 . ASN A 1 51 ? 2.685 0.064 22.483 1.00 80.94 51 A 1 ATOM 402 N ND2 . ASN A 1 51 ? 3.466 -0.121 20.452 1.00 80.02 51 A 1 ATOM 403 N N . ASN A 1 52 ? 6.797 -3.487 23.692 1.00 92.60 52 A 1 ATOM 404 C CA . ASN A 1 52 ? 7.296 -4.793 24.153 1.00 93.30 52 A 1 ATOM 405 C C . ASN A 1 52 ? 6.612 -5.992 23.457 1.00 93.60 52 A 1 ATOM 406 O O . ASN A 1 52 ? 6.294 -7.000 24.086 1.00 91.46 52 A 1 ATOM 407 C CB . ASN A 1 52 ? 7.245 -4.872 25.694 1.00 93.66 52 A 1 ATOM 408 C CG . ASN A 1 52 ? 8.147 -3.859 26.369 1.00 87.44 52 A 1 ATOM 409 O OD1 . ASN A 1 52 ? 9.288 -3.664 26.001 1.00 79.38 52 A 1 ATOM 410 N ND2 . ASN A 1 52 ? 7.672 -3.194 27.394 1.00 78.82 52 A 1 ATOM 411 N N . ARG A 1 53 ? 6.370 -5.877 22.138 1.00 93.70 53 A 1 ATOM 412 C CA . ARG A 1 53 ? 5.641 -6.874 21.330 1.00 93.31 53 A 1 ATOM 413 C C . ARG A 1 53 ? 6.439 -7.387 20.131 1.00 94.13 53 A 1 ATOM 414 O O . ARG A 1 53 ? 5.848 -7.851 19.158 1.00 92.25 53 A 1 ATOM 415 C CB . ARG A 1 53 ? 4.270 -6.314 20.914 1.00 91.97 53 A 1 ATOM 416 C CG . ARG A 1 53 ? 3.324 -6.163 22.110 1.00 84.62 53 A 1 ATOM 417 C CD . ARG A 1 53 ? 1.955 -5.628 21.675 1.00 80.73 53 A 1 ATOM 418 N NE . ARG A 1 53 ? 1.203 -6.655 20.926 1.00 71.16 53 A 1 ATOM 419 C CZ . ARG A 1 53 ? -0.052 -6.560 20.519 1.00 64.47 53 A 1 ATOM 420 N NH1 . ARG A 1 53 ? -0.770 -5.487 20.724 1.00 58.93 53 A 1 ATOM 421 N NH2 . ARG A 1 53 ? -0.610 -7.554 19.897 1.00 53.75 53 A 1 ATOM 422 N N . VAL A 1 54 ? 7.767 -7.344 20.191 1.00 91.82 54 A 1 ATOM 423 C CA . VAL A 1 54 ? 8.634 -7.799 19.080 1.00 91.31 54 A 1 ATOM 424 C C . VAL A 1 54 ? 8.352 -9.259 18.697 1.00 91.47 54 A 1 ATOM 425 O O . VAL A 1 54 ? 8.338 -9.601 17.517 1.00 89.93 54 A 1 ATOM 426 C CB . VAL A 1 54 ? 10.116 -7.598 19.439 1.00 90.62 54 A 1 ATOM 427 C CG1 . VAL A 1 54 ? 11.054 -8.069 18.327 1.00 86.83 54 A 1 ATOM 428 C CG2 . VAL A 1 54 ? 10.419 -6.118 19.694 1.00 87.23 54 A 1 ATOM 429 N N . ASP A 1 55 ? 8.035 -10.108 19.672 1.00 93.08 55 A 1 ATOM 430 C CA . ASP A 1 55 ? 7.690 -11.511 19.421 1.00 92.30 55 A 1 ATOM 431 C C . ASP A 1 55 ? 6.332 -11.710 18.739 1.00 92.11 55 A 1 ATOM 432 O O . ASP A 1 55 ? 6.079 -12.776 18.191 1.00 89.70 55 A 1 ATOM 433 C CB . ASP A 1 55 ? 7.768 -12.300 20.734 1.00 91.65 55 A 1 ATOM 434 C CG . ASP A 1 55 ? 9.206 -12.350 21.244 1.00 86.66 55 A 1 ATOM 435 O OD1 . ASP A 1 55 ? 10.103 -12.544 20.381 1.00 79.98 55 A 1 ATOM 436 O OD2 . ASP A 1 55 ? 9.395 -12.147 22.460 1.00 80.04 55 A 1 ATOM 437 N N . SER A 1 56 ? 5.476 -10.691 18.728 1.00 92.00 56 A 1 ATOM 438 C CA . SER A 1 56 ? 4.184 -10.724 18.038 1.00 90.63 56 A 1 ATOM 439 C C . SER A 1 56 ? 4.251 -10.342 16.556 1.00 91.09 56 A 1 ATOM 440 O O . SER A 1 56 ? 3.219 -10.358 15.892 1.00 88.47 56 A 1 ATOM 441 C CB . SER A 1 56 ? 3.141 -9.890 18.794 1.00 88.73 56 A 1 ATOM 442 O OG . SER A 1 56 ? 3.288 -8.495 18.615 1.00 77.94 56 A 1 ATOM 443 N N . ILE A 1 57 ? 5.438 -9.994 16.035 1.00 89.53 57 A 1 ATOM 444 C CA . ILE A 1 57 ? 5.625 -9.739 14.603 1.00 89.50 57 A 1 ATOM 445 C C . ILE A 1 57 ? 5.521 -11.079 13.867 1.00 88.52 57 A 1 ATOM 446 O O . ILE A 1 57 ? 6.465 -11.868 13.855 1.00 85.78 57 A 1 ATOM 447 C CB . ILE A 1 57 ? 6.958 -9.013 14.316 1.00 90.40 57 A 1 ATOM 448 C CG1 . ILE A 1 57 ? 7.023 -7.657 15.059 1.00 90.06 57 A 1 ATOM 449 C CG2 . ILE A 1 57 ? 7.119 -8.795 12.799 1.00 89.38 57 A 1 ATOM 450 C CD1 . ILE A 1 57 ? 8.381 -6.949 14.946 1.00 87.63 57 A 1 ATOM 451 N N . GLY A 1 58 ? 4.350 -11.336 13.271 1.00 89.55 58 A 1 ATOM 452 C CA . GLY A 1 58 ? 4.024 -12.599 12.601 1.00 87.01 58 A 1 ATOM 453 C C . GLY A 1 58 ? 4.195 -12.591 11.081 1.00 88.26 58 A 1 ATOM 454 O O . GLY A 1 58 ? 4.180 -13.654 10.474 1.00 85.28 58 A 1 ATOM 455 N N . ILE A 1 59 ? 4.334 -11.415 10.464 1.00 88.71 59 A 1 ATOM 456 C CA . ILE A 1 59 ? 4.498 -11.263 9.016 1.00 89.09 59 A 1 ATOM 457 C C . ILE A 1 59 ? 5.867 -10.636 8.762 1.00 90.21 59 A 1 ATOM 458 O O . ILE A 1 59 ? 6.125 -9.508 9.181 1.00 89.60 59 A 1 ATOM 459 C CB . ILE A 1 59 ? 3.339 -10.454 8.389 1.00 87.78 59 A 1 ATOM 460 C CG1 . ILE A 1 59 ? 1.979 -11.134 8.681 1.00 83.24 59 A 1 ATOM 461 C CG2 . ILE A 1 59 ? 3.560 -10.318 6.872 1.00 82.63 59 A 1 ATOM 462 C CD1 . ILE A 1 59 ? 0.756 -10.372 8.144 1.00 75.04 59 A 1 ATOM 463 N N . ILE A 1 60 ? 6.733 -11.399 8.098 1.00 90.26 60 A 1 ATOM 464 C CA . ILE A 1 60 ? 8.092 -11.000 7.724 1.00 91.66 60 A 1 ATOM 465 C C . ILE A 1 60 ? 8.238 -11.321 6.242 1.00 92.12 60 A 1 ATOM 466 O O . ILE A 1 60 ? 8.069 -12.472 5.843 1.00 91.01 60 A 1 ATOM 467 C CB . ILE A 1 60 ? 9.143 -11.748 8.578 1.00 91.57 60 A 1 ATOM 468 C CG1 . ILE A 1 60 ? 8.937 -11.478 10.089 1.00 90.47 60 A 1 ATOM 469 C CG2 . ILE A 1 60 ? 10.564 -11.333 8.147 1.00 90.27 60 A 1 ATOM 470 C CD1 . ILE A 1 60 ? 9.794 -12.361 11.004 1.00 85.98 60 A 1 ATOM 471 N N . GLN A 1 61 ? 8.511 -10.304 5.429 1.00 93.34 61 A 1 ATOM 472 C CA . GLN A 1 61 ? 8.647 -10.493 3.989 1.00 93.56 61 A 1 ATOM 473 C C . GLN A 1 61 ? 10.007 -11.130 3.663 1.00 93.84 61 A 1 ATOM 474 O O . GLN A 1 61 ? 11.015 -10.726 4.239 1.00 93.05 61 A 1 ATOM 475 C CB . GLN A 1 61 ? 8.446 -9.163 3.247 1.00 92.76 61 A 1 ATOM 476 C CG . GLN A 1 61 ? 6.991 -8.655 3.293 1.00 89.90 61 A 1 ATOM 477 C CD . GLN A 1 61 ? 6.528 -8.113 4.639 1.00 89.24 61 A 1 ATOM 478 O OE1 . GLN A 1 61 ? 7.276 -7.579 5.445 1.00 81.74 61 A 1 ATOM 479 N NE2 . GLN A 1 61 ? 5.252 -8.215 4.942 1.00 80.79 61 A 1 ATOM 480 N N . PRO A 1 62 ? 10.069 -12.106 2.739 1.00 94.95 62 A 1 ATOM 481 C CA . PRO A 1 62 ? 11.327 -12.741 2.351 1.00 94.35 62 A 1 ATOM 482 C C . PRO A 1 62 ? 12.220 -11.814 1.519 1.00 94.38 62 A 1 ATOM 483 O O . PRO A 1 62 ? 13.436 -11.998 1.478 1.00 92.70 62 A 1 ATOM 484 C CB . PRO A 1 62 ? 10.910 -13.991 1.566 1.00 93.72 62 A 1 ATOM 485 C CG . PRO A 1 62 ? 9.572 -13.588 0.955 1.00 92.90 62 A 1 ATOM 486 C CD . PRO A 1 62 ? 8.951 -12.706 2.028 1.00 94.82 62 A 1 ATOM 487 N N . THR A 1 63 ? 11.638 -10.785 0.890 1.00 94.04 63 A 1 ATOM 488 C CA . THR A 1 63 ? 12.364 -9.838 0.034 1.00 93.82 63 A 1 ATOM 489 C C . THR A 1 63 ? 12.196 -8.400 0.520 1.00 94.06 63 A 1 ATOM 490 O O . THR A 1 63 ? 11.175 -8.020 1.100 1.00 93.68 63 A 1 ATOM 491 C CB . THR A 1 63 ? 11.952 -9.961 -1.440 1.00 93.21 63 A 1 ATOM 492 O OG1 . THR A 1 63 ? 10.655 -9.463 -1.632 1.00 90.95 63 A 1 ATOM 493 C CG2 . THR A 1 63 ? 11.991 -11.396 -1.969 1.00 89.66 63 A 1 ATOM 494 N N . ARG A 1 64 ? 13.202 -7.558 0.237 1.00 93.48 64 A 1 ATOM 495 C CA . ARG A 1 64 ? 13.114 -6.112 0.498 1.00 93.66 64 A 1 ATOM 496 C C . ARG A 1 64 ? 11.965 -5.476 -0.290 1.00 94.16 64 A 1 ATOM 497 O O . ARG A 1 64 ? 11.236 -4.665 0.274 1.00 93.49 64 A 1 ATOM 498 C CB . ARG A 1 64 ? 14.464 -5.443 0.197 1.00 93.13 64 A 1 ATOM 499 C CG . ARG A 1 64 ? 14.464 -3.959 0.606 1.00 87.89 64 A 1 ATOM 500 C CD . ARG A 1 64 ? 15.816 -3.296 0.326 1.00 85.58 64 A 1 ATOM 501 N NE . ARG A 1 64 ? 15.796 -1.852 0.656 1.00 77.26 64 A 1 ATOM 502 C CZ . ARG A 1 64 ? 15.375 -0.863 -0.137 1.00 71.06 64 A 1 ATOM 503 N NH1 . ARG A 1 64 ? 14.918 -1.060 -1.344 1.00 63.44 64 A 1 ATOM 504 N NH2 . ARG A 1 64 ? 15.406 0.366 0.275 1.00 61.47 64 A 1 ATOM 505 N N . THR A 1 65 ? 11.765 -5.880 -1.550 1.00 93.66 65 A 1 ATOM 506 C CA . THR A 1 65 ? 10.650 -5.426 -2.400 1.00 93.69 65 A 1 ATOM 507 C C . THR A 1 65 ? 9.299 -5.742 -1.764 1.00 94.23 65 A 1 ATOM 508 O O . THR A 1 65 ? 8.437 -4.869 -1.694 1.00 94.11 65 A 1 ATOM 509 C CB . THR A 1 65 ? 10.726 -6.086 -3.785 1.00 93.35 65 A 1 ATOM 510 O OG1 . THR A 1 65 ? 12.011 -5.892 -4.326 1.00 90.51 65 A 1 ATOM 511 C CG2 . THR A 1 65 ? 9.711 -5.515 -4.770 1.00 89.95 65 A 1 ATOM 512 N N . GLY A 1 66 ? 9.139 -6.949 -1.209 1.00 94.02 66 A 1 ATOM 513 C CA . GLY A 1 66 ? 7.934 -7.332 -0.474 1.00 94.15 66 A 1 ATOM 514 C C . GLY A 1 66 ? 7.684 -6.457 0.754 1.00 94.71 66 A 1 ATOM 515 O O . GLY A 1 66 ? 6.563 -6.000 0.978 1.00 94.61 66 A 1 ATOM 516 N N . ALA A 1 67 ? 8.728 -6.129 1.522 1.00 94.47 67 A 1 ATOM 517 C CA . ALA A 1 67 ? 8.592 -5.244 2.679 1.00 94.42 67 A 1 ATOM 518 C C . ALA A 1 67 ? 8.225 -3.801 2.286 1.00 94.45 67 A 1 ATOM 519 O O . ALA A 1 67 ? 7.412 -3.168 2.965 1.00 93.94 67 A 1 ATOM 520 C CB . ALA A 1 67 ? 9.887 -5.302 3.488 1.00 94.33 67 A 1 ATOM 521 N N . VAL A 1 68 ? 8.778 -3.289 1.180 1.00 93.90 68 A 1 ATOM 522 C CA . VAL A 1 68 ? 8.390 -1.990 0.603 1.00 93.72 68 A 1 ATOM 523 C C . VAL A 1 68 ? 6.925 -2.012 0.168 1.00 94.33 68 A 1 ATOM 524 O O . VAL A 1 68 ? 6.167 -1.108 0.531 1.00 94.16 68 A 1 ATOM 525 C CB . VAL A 1 68 ? 9.318 -1.614 -0.574 1.00 93.43 68 A 1 ATOM 526 C CG1 . VAL A 1 68 ? 8.817 -0.394 -1.352 1.00 91.44 68 A 1 ATOM 527 C CG2 . VAL A 1 68 ? 10.733 -1.279 -0.079 1.00 91.25 68 A 1 ATOM 528 N N . LEU A 1 69 ? 6.496 -3.059 -0.546 1.00 94.29 69 A 1 ATOM 529 C CA . LEU A 1 69 ? 5.108 -3.231 -0.972 1.00 94.36 69 A 1 ATOM 530 C C . LEU A 1 69 ? 4.161 -3.298 0.231 1.00 94.69 69 A 1 ATOM 531 O O . LEU A 1 69 ? 3.180 -2.560 0.273 1.00 94.80 69 A 1 ATOM 532 C CB . LEU A 1 69 ? 5.007 -4.484 -1.864 1.00 94.19 69 A 1 ATOM 533 C CG . LEU A 1 69 ? 3.573 -4.808 -2.329 1.00 88.22 69 A 1 ATOM 534 C CD1 . LEU A 1 69 ? 2.950 -3.670 -3.134 1.00 83.29 69 A 1 ATOM 535 C CD2 . LEU A 1 69 ? 3.577 -6.062 -3.205 1.00 85.16 69 A 1 ATOM 536 N N . ALA A 1 70 ? 4.475 -4.112 1.243 1.00 94.75 70 A 1 ATOM 537 C CA . ALA A 1 70 ? 3.660 -4.241 2.451 1.00 94.23 70 A 1 ATOM 538 C C . ALA A 1 70 ? 3.502 -2.905 3.197 1.00 94.29 70 A 1 ATOM 539 O O . ALA A 1 70 ? 2.400 -2.563 3.637 1.00 93.90 70 A 1 ATOM 540 C CB . ALA A 1 70 ? 4.294 -5.307 3.353 1.00 93.91 70 A 1 ATOM 541 N N . ARG A 1 71 ? 4.585 -2.119 3.305 1.00 93.96 71 A 1 ATOM 542 C CA . ARG A 1 71 ? 4.541 -0.754 3.853 1.00 94.02 71 A 1 ATOM 543 C C . ARG A 1 71 ? 3.579 0.126 3.064 1.00 94.21 71 A 1 ATOM 544 O O . ARG A 1 71 ? 2.682 0.728 3.653 1.00 93.99 71 A 1 ATOM 545 C CB . ARG A 1 71 ? 5.959 -0.157 3.854 1.00 93.92 71 A 1 ATOM 546 C CG . ARG A 1 71 ? 6.008 1.282 4.401 1.00 92.35 71 A 1 ATOM 547 C CD . ARG A 1 71 ? 7.331 1.969 4.037 1.00 90.98 71 A 1 ATOM 548 N NE . ARG A 1 71 ? 7.421 2.240 2.589 1.00 88.24 71 A 1 ATOM 549 C CZ . ARG A 1 71 ? 8.510 2.563 1.919 1.00 89.29 71 A 1 ATOM 550 N NH1 . ARG A 1 71 ? 9.682 2.669 2.491 1.00 80.15 71 A 1 ATOM 551 N NH2 . ARG A 1 71 ? 8.446 2.792 0.642 1.00 81.26 71 A 1 ATOM 552 N N . ASN A 1 72 ? 3.757 0.181 1.742 1.00 94.69 72 A 1 ATOM 553 C CA . ASN A 1 72 ? 2.994 1.079 0.880 1.00 95.14 72 A 1 ATOM 554 C C . ASN A 1 72 ? 1.509 0.711 0.834 1.00 95.45 72 A 1 ATOM 555 O O . ASN A 1 72 ? 0.659 1.583 0.996 1.00 94.90 72 A 1 ATOM 556 C CB . ASN A 1 72 ? 3.625 1.066 -0.514 1.00 95.20 72 A 1 ATOM 557 C CG . ASN A 1 72 ? 4.993 1.717 -0.568 1.00 94.39 72 A 1 ATOM 558 O OD1 . ASN A 1 72 ? 5.504 2.290 0.384 1.00 89.81 72 A 1 ATOM 559 N ND2 . ASN A 1 72 ? 5.626 1.653 -1.714 1.00 89.88 72 A 1 ATOM 560 N N . VAL A 1 73 ? 1.188 -0.589 0.715 1.00 94.97 73 A 1 ATOM 561 C CA . VAL A 1 73 ? -0.177 -1.120 0.823 1.00 95.16 73 A 1 ATOM 562 C C . VAL A 1 73 ? -0.826 -0.678 2.128 1.00 95.27 73 A 1 ATOM 563 O O . VAL A 1 73 ? -1.937 -0.152 2.118 1.00 94.88 73 A 1 ATOM 564 C CB . VAL A 1 73 ? -0.155 -2.659 0.731 1.00 94.69 73 A 1 ATOM 565 C CG1 . VAL A 1 73 ? -1.447 -3.314 1.234 1.00 90.78 73 A 1 ATOM 566 C CG2 . VAL A 1 73 ? 0.074 -3.114 -0.714 1.00 91.07 73 A 1 ATOM 567 N N . THR A 1 74 ? -0.123 -0.847 3.257 1.00 94.88 74 A 1 ATOM 568 C CA . THR A 1 74 ? -0.653 -0.485 4.577 1.00 93.69 74 A 1 ATOM 569 C C . THR A 1 74 ? -0.925 1.017 4.678 1.00 94.01 74 A 1 ATOM 570 O O . THR A 1 74 ? -1.972 1.415 5.193 1.00 93.32 74 A 1 ATOM 571 C CB . THR A 1 74 ? 0.304 -0.926 5.691 1.00 92.27 74 A 1 ATOM 572 O OG1 . THR A 1 74 ? 0.536 -2.316 5.618 1.00 87.90 74 A 1 ATOM 573 C CG2 . THR A 1 74 ? -0.257 -0.651 7.089 1.00 86.99 74 A 1 ATOM 574 N N . LEU A 1 75 ? -0.015 1.856 4.164 1.00 94.26 75 A 1 ATOM 575 C CA . LEU A 1 75 ? -0.179 3.312 4.163 1.00 94.01 75 A 1 ATOM 576 C C . LEU A 1 75 ? -1.367 3.751 3.299 1.00 94.61 75 A 1 ATOM 577 O O . LEU A 1 75 ? -2.247 4.457 3.795 1.00 94.15 75 A 1 ATOM 578 C CB . LEU A 1 75 ? 1.122 3.982 3.688 1.00 93.39 75 A 1 ATOM 579 C CG . LEU A 1 75 ? 2.282 3.921 4.699 1.00 84.65 75 A 1 ATOM 580 C CD1 . LEU A 1 75 ? 3.557 4.448 4.036 1.00 80.74 75 A 1 ATOM 581 C CD2 . LEU A 1 75 ? 2.009 4.762 5.948 1.00 81.45 75 A 1 ATOM 582 N N . ILE A 1 76 ? -1.431 3.292 2.043 1.00 94.35 76 A 1 ATOM 583 C CA . ILE A 1 76 ? -2.515 3.638 1.111 1.00 94.88 76 A 1 ATOM 584 C C . ILE A 1 76 ? -3.856 3.178 1.680 1.00 94.91 76 A 1 ATOM 585 O O . ILE A 1 76 ? -4.780 3.980 1.794 1.00 94.78 76 A 1 ATOM 586 C CB . ILE A 1 76 ? -2.254 3.041 -0.291 1.00 95.44 76 A 1 ATOM 587 C CG1 . ILE A 1 76 ? -1.005 3.683 -0.942 1.00 94.71 76 A 1 ATOM 588 C CG2 . ILE A 1 76 ? -3.477 3.250 -1.212 1.00 94.41 76 A 1 ATOM 589 C CD1 . ILE A 1 76 ? -0.501 2.917 -2.173 1.00 92.73 76 A 1 ATOM 590 N N . ALA A 1 77 ? -3.953 1.912 2.108 1.00 95.53 77 A 1 ATOM 591 C CA . ALA A 1 77 ? -5.189 1.362 2.647 1.00 95.42 77 A 1 ATOM 592 C C . ALA A 1 77 ? -5.659 2.098 3.907 1.00 95.44 77 A 1 ATOM 593 O O . ALA A 1 77 ? -6.852 2.349 4.058 1.00 95.30 77 A 1 ATOM 594 C CB . ALA A 1 77 ? -4.982 -0.129 2.917 1.00 95.62 77 A 1 ATOM 595 N N . SER A 1 78 ? -4.736 2.494 4.797 1.00 95.57 78 A 1 ATOM 596 C CA . SER A 1 78 ? -5.083 3.254 6.006 1.00 94.66 78 A 1 ATOM 597 C C . SER A 1 78 ? -5.613 4.651 5.680 1.00 95.51 78 A 1 ATOM 598 O O . SER A 1 78 ? -6.592 5.095 6.284 1.00 95.12 78 A 1 ATOM 599 C CB . SER A 1 78 ? -3.876 3.397 6.939 1.00 93.42 78 A 1 ATOM 600 O OG . SER A 1 78 ? -3.393 2.137 7.350 1.00 83.78 78 A 1 ATOM 601 N N . LEU A 1 79 ? -4.990 5.345 4.718 1.00 94.12 79 A 1 ATOM 602 C CA . LEU A 1 79 ? -5.441 6.663 4.265 1.00 93.83 79 A 1 ATOM 603 C C . LEU A 1 79 ? -6.808 6.575 3.573 1.00 95.05 79 A 1 ATOM 604 O O . LEU A 1 79 ? -7.709 7.344 3.909 1.00 95.46 79 A 1 ATOM 605 C CB . LEU A 1 79 ? -4.382 7.277 3.331 1.00 94.03 79 A 1 ATOM 606 C CG . LEU A 1 79 ? -3.073 7.700 4.031 1.00 90.37 79 A 1 ATOM 607 C CD1 . LEU A 1 79 ? -2.041 8.106 2.978 1.00 87.03 79 A 1 ATOM 608 C CD2 . LEU A 1 79 ? -3.278 8.880 4.985 1.00 87.59 79 A 1 ATOM 609 N N . SER A 1 80 ? -6.986 5.598 2.675 1.00 94.92 80 A 1 ATOM 610 C CA . SER A 1 80 ? -8.252 5.366 1.978 1.00 94.81 80 A 1 ATOM 611 C C . SER A 1 80 ? -9.374 4.982 2.944 1.00 95.91 80 A 1 ATOM 612 O O . SER A 1 80 ? -10.447 5.574 2.889 1.00 96.26 80 A 1 ATOM 613 C CB . SER A 1 80 ? -8.090 4.272 0.921 1.00 94.46 80 A 1 ATOM 614 O OG . SER A 1 80 ? -7.145 4.659 -0.054 1.00 89.07 80 A 1 ATOM 615 N N . ALA A 1 81 ? -9.126 4.053 3.877 1.00 95.45 81 A 1 ATOM 616 C CA . ALA A 1 81 ? -10.109 3.648 4.880 1.00 96.02 81 A 1 ATOM 617 C C . ALA A 1 81 ? -10.549 4.831 5.753 1.00 96.65 81 A 1 ATOM 618 O O . ALA A 1 81 ? -11.738 5.022 5.983 1.00 96.54 81 A 1 ATOM 619 C CB . ALA A 1 81 ? -9.525 2.514 5.729 1.00 95.71 81 A 1 ATOM 620 N N . LYS A 1 82 ? -9.604 5.679 6.178 1.00 96.26 82 A 1 ATOM 621 C CA . LYS A 1 82 ? -9.922 6.891 6.944 1.00 96.08 82 A 1 ATOM 622 C C . LYS A 1 82 ? -10.800 7.864 6.158 1.00 96.83 82 A 1 ATOM 623 O O . LYS A 1 82 ? -11.707 8.465 6.735 1.00 96.87 82 A 1 ATOM 624 C CB . LYS A 1 82 ? -8.608 7.544 7.385 1.00 96.05 82 A 1 ATOM 625 C CG . LYS A 1 82 ? -8.857 8.732 8.319 1.00 85.61 82 A 1 ATOM 626 C CD . LYS A 1 82 ? -7.523 9.317 8.775 1.00 81.68 82 A 1 ATOM 627 C CE . LYS A 1 82 ? -7.791 10.500 9.703 1.00 72.98 82 A 1 ATOM 628 N NZ . LYS A 1 82 ? -6.516 11.119 10.137 1.00 63.45 82 A 1 ATOM 629 N N . GLN A 1 83 ? -10.556 8.022 4.860 1.00 96.11 83 A 1 ATOM 630 C CA . GLN A 1 83 ? -11.399 8.857 4.000 1.00 95.32 83 A 1 ATOM 631 C C . GLN A 1 83 ? -12.816 8.271 3.875 1.00 96.42 83 A 1 ATOM 632 O O . GLN A 1 83 ? -13.794 8.983 4.086 1.00 96.75 83 A 1 ATOM 633 C CB . GLN A 1 83 ? -10.707 9.029 2.637 1.00 94.70 83 A 1 ATOM 634 C CG . GLN A 1 83 ? -11.488 9.943 1.680 1.00 85.33 83 A 1 ATOM 635 C CD . GLN A 1 83 ? -11.700 11.362 2.199 1.00 80.24 83 A 1 ATOM 636 O OE1 . GLN A 1 83 ? -10.946 11.905 3.001 1.00 72.96 83 A 1 ATOM 637 N NE2 . GLN A 1 83 ? -12.744 12.017 1.747 1.00 68.66 83 A 1 ATOM 638 N N . MET A 1 84 ? -12.929 6.962 3.635 1.00 94.66 84 A 1 ATOM 639 C CA . MET A 1 84 ? -14.209 6.246 3.565 1.00 95.15 84 A 1 ATOM 640 C C . MET A 1 84 ? -14.993 6.328 4.885 1.00 96.00 84 A 1 ATOM 641 O O . MET A 1 84 ? -16.212 6.502 4.881 1.00 95.90 84 A 1 ATOM 642 C CB . MET A 1 84 ? -13.945 4.778 3.208 1.00 95.13 84 A 1 ATOM 643 C CG . MET A 1 84 ? -13.423 4.592 1.781 1.00 93.77 84 A 1 ATOM 644 S SD . MET A 1 84 ? -12.741 2.942 1.472 1.00 92.50 84 A 1 ATOM 645 C CE . MET A 1 84 ? -12.406 3.100 -0.307 1.00 84.15 84 A 1 ATOM 646 N N . GLU A 1 85 ? -14.314 6.266 6.036 1.00 95.93 85 A 1 ATOM 647 C CA . GLU A 1 85 ? -14.935 6.467 7.353 1.00 95.90 85 A 1 ATOM 648 C C . GLU A 1 85 ? -15.567 7.859 7.489 1.00 96.53 85 A 1 ATOM 649 O O . GLU A 1 85 ? -16.685 7.980 8.000 1.00 96.18 85 A 1 ATOM 650 C CB . GLU A 1 85 ? -13.903 6.283 8.477 1.00 95.60 85 A 1 ATOM 651 C CG . GLU A 1 85 ? -13.595 4.812 8.785 1.00 87.85 85 A 1 ATOM 652 C CD . GLU A 1 85 ? -12.504 4.630 9.859 1.00 87.26 85 A 1 ATOM 653 O OE1 . GLU A 1 85 ? -12.225 3.452 10.197 1.00 76.99 85 A 1 ATOM 654 O OE2 . GLU A 1 85 ? -11.972 5.643 10.371 1.00 79.63 85 A 1 ATOM 655 N N . LEU A 1 86 ? -14.874 8.903 7.023 1.00 96.66 86 A 1 ATOM 656 C CA . LEU A 1 86 ? -15.389 10.279 7.032 1.00 96.64 86 A 1 ATOM 657 C C . LEU A 1 86 ? -16.612 10.441 6.119 1.00 96.98 86 A 1 ATOM 658 O O . LEU A 1 86 ? -17.502 11.237 6.421 1.00 96.53 86 A 1 ATOM 659 C CB . LEU A 1 86 ? -14.275 11.255 6.606 1.00 96.75 86 A 1 ATOM 660 C CG . LEU A 1 86 ? -13.118 11.402 7.609 1.00 93.27 86 A 1 ATOM 661 C CD1 . LEU A 1 86 ? -11.993 12.228 6.980 1.00 89.18 86 A 1 ATOM 662 C CD2 . LEU A 1 86 ? -13.559 12.102 8.898 1.00 90.20 86 A 1 ATOM 663 N N . GLU A 1 87 ? -16.666 9.672 5.033 1.00 95.65 87 A 1 ATOM 664 C CA . GLU A 1 87 ? -17.787 9.635 4.084 1.00 95.46 87 A 1 ATOM 665 C C . GLU A 1 87 ? -18.946 8.732 4.553 1.00 95.88 87 A 1 ATOM 666 O O . GLU A 1 87 ? -20.032 8.750 3.980 1.00 94.49 87 A 1 ATOM 667 C CB . GLU A 1 87 ? -17.243 9.216 2.709 1.00 95.28 87 A 1 ATOM 668 C CG . GLU A 1 87 ? -16.329 10.315 2.124 1.00 92.56 87 A 1 ATOM 669 C CD . GLU A 1 87 ? -15.556 9.899 0.866 1.00 90.23 87 A 1 ATOM 670 O OE1 . GLU A 1 87 ? -14.696 10.716 0.451 1.00 81.74 87 A 1 ATOM 671 O OE2 . GLU A 1 87 ? -15.796 8.794 0.334 1.00 83.81 87 A 1 ATOM 672 N N . GLY A 1 88 ? -18.745 7.967 5.631 1.00 96.44 88 A 1 ATOM 673 C CA . GLY A 1 88 ? -19.726 7.019 6.168 1.00 96.15 88 A 1 ATOM 674 C C . GLY A 1 88 ? -19.805 5.688 5.410 1.00 96.20 88 A 1 ATOM 675 O O . GLY A 1 88 ? -20.711 4.892 5.689 1.00 94.66 88 A 1 ATOM 676 N N . ASP A 1 89 ? -18.868 5.421 4.497 1.00 96.15 89 A 1 ATOM 677 C CA . ASP A 1 89 ? -18.803 4.193 3.701 1.00 95.89 89 A 1 ATOM 678 C C . ASP A 1 89 ? -18.149 3.041 4.485 1.00 95.85 89 A 1 ATOM 679 O O . ASP A 1 89 ? -16.968 2.710 4.344 1.00 94.94 89 A 1 ATOM 680 C CB . ASP A 1 89 ? -18.110 4.455 2.360 1.00 94.99 89 A 1 ATOM 681 C CG . ASP A 1 89 ? -18.070 3.195 1.483 1.00 93.88 89 A 1 ATOM 682 O OD1 . ASP A 1 89 ? -18.785 2.211 1.816 1.00 90.51 89 A 1 ATOM 683 O OD2 . ASP A 1 89 ? -17.304 3.203 0.502 1.00 90.16 89 A 1 ATOM 684 N N . ARG A 1 90 ? -18.941 2.402 5.349 1.00 95.58 90 A 1 ATOM 685 C CA . ARG A 1 90 ? -18.477 1.266 6.162 1.00 95.06 90 A 1 ATOM 686 C C . ARG A 1 90 ? -18.156 0.018 5.340 1.00 94.81 90 A 1 ATOM 687 O O . ARG A 1 90 ? -17.279 -0.748 5.731 1.00 93.80 90 A 1 ATOM 688 C CB . ARG A 1 90 ? -19.522 0.918 7.223 1.00 94.91 90 A 1 ATOM 689 C CG . ARG A 1 90 ? -19.671 2.030 8.264 1.00 86.24 90 A 1 ATOM 690 C CD . ARG A 1 90 ? -20.643 1.570 9.346 1.00 80.33 90 A 1 ATOM 691 N NE . ARG A 1 90 ? -20.799 2.589 10.393 1.00 70.95 90 A 1 ATOM 692 C CZ . ARG A 1 90 ? -21.553 2.487 11.471 1.00 63.44 90 A 1 ATOM 693 N NH1 . ARG A 1 90 ? -22.267 1.419 11.710 1.00 57.25 90 A 1 ATOM 694 N NH2 . ARG A 1 90 ? -21.603 3.466 12.330 1.00 55.12 90 A 1 ATOM 695 N N . GLU A 1 91 ? -18.879 -0.206 4.246 1.00 93.33 91 A 1 ATOM 696 C CA . GLU A 1 91 ? -18.645 -1.367 3.387 1.00 92.23 91 A 1 ATOM 697 C C . GLU A 1 91 ? -17.315 -1.217 2.642 1.00 92.88 91 A 1 ATOM 698 O O . GLU A 1 91 ? -16.504 -2.147 2.644 1.00 91.85 91 A 1 ATOM 699 C CB . GLU A 1 91 ? -19.818 -1.570 2.412 1.00 90.61 91 A 1 ATOM 700 C CG . GLU A 1 91 ? -21.110 -1.975 3.144 1.00 81.40 91 A 1 ATOM 701 C CD . GLU A 1 91 ? -22.290 -2.318 2.211 1.00 76.03 91 A 1 ATOM 702 O OE1 . GLU A 1 91 ? -23.359 -2.673 2.762 1.00 67.51 91 A 1 ATOM 703 O OE2 . GLU A 1 91 ? -22.134 -2.254 0.973 1.00 68.43 91 A 1 ATOM 704 N N . GLY A 1 92 ? -17.038 -0.018 2.114 1.00 94.14 92 A 1 ATOM 705 C CA . GLY A 1 92 ? -15.758 0.324 1.502 1.00 94.22 92 A 1 ATOM 706 C C . GLY A 1 92 ? -14.577 0.166 2.457 1.00 95.24 92 A 1 ATOM 707 O O . GLY A 1 92 ? -13.556 -0.413 2.080 1.00 95.13 92 A 1 ATOM 708 N N . VAL A 1 93 ? -14.721 0.566 3.724 1.00 95.10 93 A 1 ATOM 709 C CA . VAL A 1 93 ? -13.681 0.359 4.755 1.00 95.52 93 A 1 ATOM 710 C C . VAL A 1 93 ? -13.344 -1.124 4.917 1.00 95.58 93 A 1 ATOM 711 O O . VAL A 1 93 ? -12.169 -1.495 4.906 1.00 95.43 93 A 1 ATOM 712 C CB . VAL A 1 93 ? -14.104 0.957 6.115 1.00 95.69 93 A 1 ATOM 713 C CG1 . VAL A 1 93 ? -13.137 0.596 7.256 1.00 94.38 93 A 1 ATOM 714 C CG2 . VAL A 1 93 ? -14.174 2.481 6.051 1.00 94.38 93 A 1 ATOM 715 N N . VAL A 1 94 ? -14.351 -1.982 5.057 1.00 95.47 94 A 1 ATOM 716 C CA . VAL A 1 94 ? -14.145 -3.433 5.215 1.00 94.77 94 A 1 ATOM 717 C C . VAL A 1 94 ? -13.500 -4.029 3.962 1.00 95.01 94 A 1 ATOM 718 O O . VAL A 1 94 ? -12.527 -4.778 4.071 1.00 95.00 94 A 1 ATOM 719 C CB . VAL A 1 94 ? -15.468 -4.143 5.566 1.00 94.28 94 A 1 ATOM 720 C CG1 . VAL A 1 94 ? -15.325 -5.672 5.581 1.00 91.46 94 A 1 ATOM 721 C CG2 . VAL A 1 94 ? -15.952 -3.722 6.961 1.00 91.85 94 A 1 ATOM 722 N N . ALA A 1 95 ? -13.990 -3.662 2.775 1.00 94.22 95 A 1 ATOM 723 C CA . ALA A 1 95 ? -13.421 -4.119 1.510 1.00 94.03 95 A 1 ATOM 724 C C . ALA A 1 95 ? -11.943 -3.712 1.374 1.00 94.59 95 A 1 ATOM 725 O O . ALA A 1 95 ? -11.101 -4.552 1.052 1.00 94.55 95 A 1 ATOM 726 C CB . ALA A 1 95 ? -14.279 -3.572 0.366 1.00 93.58 95 A 1 ATOM 727 N N . MET A 1 96 ? -11.603 -2.471 1.704 1.00 95.37 96 A 1 ATOM 728 C CA . MET A 1 96 ? -10.228 -1.963 1.682 1.00 95.69 96 A 1 ATOM 729 C C . MET A 1 96 ? -9.318 -2.718 2.664 1.00 95.73 96 A 1 ATOM 730 O O . MET A 1 96 ? -8.201 -3.092 2.311 1.00 95.35 96 A 1 ATOM 731 C CB . MET A 1 96 ? -10.239 -0.452 1.984 1.00 95.51 96 A 1 ATOM 732 C CG . MET A 1 96 ? -8.839 0.171 1.908 1.00 93.02 96 A 1 ATOM 733 S SD . MET A 1 96 ? -7.963 -0.030 0.328 1.00 92.80 96 A 1 ATOM 734 C CE . MET A 1 96 ? -8.975 1.027 -0.745 1.00 85.33 96 A 1 ATOM 735 N N . GLN A 1 97 ? -9.784 -3.001 3.884 1.00 95.47 97 A 1 ATOM 736 C CA . GLN A 1 97 ? -9.022 -3.779 4.865 1.00 94.85 97 A 1 ATOM 737 C C . GLN A 1 97 ? -8.779 -5.222 4.397 1.00 95.14 97 A 1 ATOM 738 O O . GLN A 1 97 ? -7.679 -5.758 4.566 1.00 95.06 97 A 1 ATOM 739 C CB . GLN A 1 97 ? -9.772 -3.786 6.203 1.00 95.00 97 A 1 ATOM 740 C CG . GLN A 1 97 ? -9.696 -2.434 6.929 1.00 91.89 97 A 1 ATOM 741 C CD . GLN A 1 97 ? -10.541 -2.404 8.203 1.00 89.03 97 A 1 ATOM 742 O OE1 . GLN A 1 97 ? -11.277 -3.317 8.542 1.00 83.96 97 A 1 ATOM 743 N NE2 . GLN A 1 97 ? -10.455 -1.343 8.977 1.00 80.82 97 A 1 ATOM 744 N N . MET A 1 98 ? -9.777 -5.851 3.780 1.00 94.52 98 A 1 ATOM 745 C CA . MET A 1 98 ? -9.636 -7.189 3.200 1.00 94.32 98 A 1 ATOM 746 C C . MET A 1 98 ? -8.643 -7.196 2.033 1.00 94.97 98 A 1 ATOM 747 O O . MET A 1 98 ? -7.740 -8.032 2.013 1.00 95.02 98 A 1 ATOM 748 C CB . MET A 1 98 ? -11.001 -7.719 2.748 1.00 94.15 98 A 1 ATOM 749 C CG . MET A 1 98 ? -11.913 -8.066 3.928 1.00 87.84 98 A 1 ATOM 750 S SD . MET A 1 98 ? -13.553 -8.690 3.455 1.00 79.10 98 A 1 ATOM 751 C CE . MET A 1 98 ? -13.112 -10.276 2.698 1.00 67.30 98 A 1 ATOM 752 N N . ALA A 1 99 ? -8.760 -6.240 1.112 1.00 95.11 99 A 1 ATOM 753 C CA . ALA A 1 99 ? -7.835 -6.088 -0.009 1.00 95.36 99 A 1 ATOM 754 C C . ALA A 1 99 ? -6.395 -5.852 0.471 1.00 95.54 99 A 1 ATOM 755 O O . ALA A 1 99 ? -5.471 -6.509 -0.003 1.00 95.64 99 A 1 ATOM 756 C CB . ALA A 1 99 ? -8.327 -4.942 -0.895 1.00 95.60 99 A 1 ATOM 757 N N . ALA A 1 100 ? -6.205 -5.001 1.479 1.00 96.43 100 A 1 ATOM 758 C CA . ALA A 1 100 ? -4.899 -4.765 2.085 1.00 96.05 100 A 1 ATOM 759 C C . ALA A 1 100 ? -4.307 -6.037 2.707 1.00 95.75 100 A 1 ATOM 760 O O . ALA A 1 100 ? -3.124 -6.321 2.527 1.00 95.52 100 A 1 ATOM 761 C CB . ALA A 1 100 ? -5.040 -3.655 3.131 1.00 96.02 100 A 1 ATOM 762 N N . SER A 1 101 ? -5.122 -6.841 3.398 1.00 96.06 101 A 1 ATOM 763 C CA . SER A 1 101 ? -4.677 -8.122 3.962 1.00 95.23 101 A 1 ATOM 764 C C . SER A 1 101 ? -4.214 -9.102 2.877 1.00 95.29 101 A 1 ATOM 765 O O . SER A 1 101 ? -3.185 -9.761 3.045 1.00 94.37 101 A 1 ATOM 766 C CB . SER A 1 101 ? -5.802 -8.738 4.799 1.00 94.38 101 A 1 ATOM 767 O OG . SER A 1 101 ? -5.348 -9.910 5.455 1.00 83.40 101 A 1 ATOM 768 N N . LEU A 1 102 ? -4.936 -9.186 1.758 1.00 94.50 102 A 1 ATOM 769 C CA . LEU A 1 102 ? -4.547 -10.013 0.611 1.00 94.29 102 A 1 ATOM 770 C C . LEU A 1 102 ? -3.262 -9.497 -0.048 1.00 94.71 102 A 1 ATOM 771 O O . LEU A 1 102 ? -2.343 -10.276 -0.282 1.00 94.86 102 A 1 ATOM 772 C CB . LEU A 1 102 ? -5.701 -10.074 -0.404 1.00 94.68 102 A 1 ATOM 773 C CG . LEU A 1 102 ? -6.956 -10.829 0.076 1.00 92.05 102 A 1 ATOM 774 C CD1 . LEU A 1 102 ? -8.059 -10.692 -0.970 1.00 89.39 102 A 1 ATOM 775 C CD2 . LEU A 1 102 ? -6.689 -12.318 0.304 1.00 89.56 102 A 1 ATOM 776 N N . ALA A 1 103 ? -3.154 -8.192 -0.257 1.00 95.74 103 A 1 ATOM 777 C CA . ALA A 1 103 ? -1.972 -7.568 -0.848 1.00 95.55 103 A 1 ATOM 778 C C . ALA A 1 103 ? -0.714 -7.735 0.029 1.00 95.40 103 A 1 ATOM 779 O O . ALA A 1 103 ? 0.372 -7.997 -0.481 1.00 95.09 103 A 1 ATOM 780 C CB . ALA A 1 103 ? -2.303 -6.098 -1.107 1.00 95.75 103 A 1 ATOM 781 N N . VAL A 1 104 ? -0.846 -7.667 1.361 1.00 95.45 104 A 1 ATOM 782 C CA . VAL A 1 104 ? 0.266 -7.950 2.288 1.00 94.67 104 A 1 ATOM 783 C C . VAL A 1 104 ? 0.679 -9.426 2.240 1.00 94.55 104 A 1 ATOM 784 O O . VAL A 1 104 ? 1.862 -9.732 2.383 1.00 93.84 104 A 1 ATOM 785 C CB . VAL A 1 104 ? -0.088 -7.508 3.722 1.00 93.85 104 A 1 ATOM 786 C CG1 . VAL A 1 104 ? 0.916 -7.996 4.778 1.00 91.49 104 A 1 ATOM 787 C CG2 . VAL A 1 104 ? -0.121 -5.977 3.821 1.00 91.76 104 A 1 ATOM 788 N N . ARG A 1 105 ? -0.252 -10.359 2.017 1.00 95.31 105 A 1 ATOM 789 C CA . ARG A 1 105 ? 0.082 -11.777 1.788 1.00 94.81 105 A 1 ATOM 790 C C . ARG A 1 105 ? 0.815 -11.974 0.467 1.00 95.42 105 A 1 ATOM 791 O O . ARG A 1 105 ? 1.842 -12.640 0.470 1.00 94.68 105 A 1 ATOM 792 C CB . ARG A 1 105 ? -1.168 -12.660 1.837 1.00 94.30 105 A 1 ATOM 793 C CG . ARG A 1 105 ? -1.682 -12.837 3.267 1.00 84.02 105 A 1 ATOM 794 C CD . ARG A 1 105 ? -3.011 -13.592 3.229 1.00 78.44 105 A 1 ATOM 795 N NE . ARG A 1 105 ? -3.562 -13.779 4.586 1.00 68.97 105 A 1 ATOM 796 C CZ . ARG A 1 105 ? -3.586 -14.894 5.289 1.00 60.34 105 A 1 ATOM 797 N NH1 . ARG A 1 105 ? -3.092 -16.012 4.838 1.00 54.07 105 A 1 ATOM 798 N NH2 . ARG A 1 105 ? -4.116 -14.898 6.481 1.00 51.64 105 A 1 ATOM 799 N N . PHE A 1 106 ? 0.357 -11.337 -0.601 1.00 94.29 106 A 1 ATOM 800 C CA . PHE A 1 106 ? 1.059 -11.311 -1.885 1.00 94.41 106 A 1 ATOM 801 C C . PHE A 1 106 ? 2.487 -10.753 -1.747 1.00 95.05 106 A 1 ATOM 802 O O . PHE A 1 106 ? 3.435 -11.320 -2.276 1.00 94.89 106 A 1 ATOM 803 C CB . PHE A 1 106 ? 0.223 -10.489 -2.873 1.00 94.84 106 A 1 ATOM 804 C CG . PHE A 1 106 ? 0.929 -10.232 -4.187 1.00 94.49 106 A 1 ATOM 805 C CD1 . PHE A 1 106 ? 1.395 -8.941 -4.504 1.00 91.99 106 A 1 ATOM 806 C CD2 . PHE A 1 106 ? 1.165 -11.298 -5.074 1.00 92.46 106 A 1 ATOM 807 C CE1 . PHE A 1 106 ? 2.088 -8.722 -5.706 1.00 91.46 106 A 1 ATOM 808 C CE2 . PHE A 1 106 ? 1.863 -11.076 -6.273 1.00 91.46 106 A 1 ATOM 809 C CZ . PHE A 1 106 ? 2.322 -9.788 -6.588 1.00 91.78 106 A 1 ATOM 810 N N . ALA A 1 107 ? 2.679 -9.721 -0.926 1.00 94.91 107 A 1 ATOM 811 C CA . ALA A 1 107 ? 4.002 -9.178 -0.614 1.00 94.72 107 A 1 ATOM 812 C C . ALA A 1 107 ? 4.942 -10.171 0.110 1.00 94.65 107 A 1 ATOM 813 O O . ALA A 1 107 ? 6.142 -9.911 0.220 1.00 93.99 107 A 1 ATOM 814 C CB . ALA A 1 107 ? 3.806 -7.896 0.208 1.00 94.78 107 A 1 ATOM 815 N N . CYS A 1 108 ? 4.429 -11.292 0.626 1.00 95.36 108 A 1 ATOM 816 C CA . CYS A 1 108 ? 5.221 -12.373 1.215 1.00 94.73 108 A 1 ATOM 817 C C . CYS A 1 108 ? 5.671 -13.434 0.198 1.00 94.76 108 A 1 ATOM 818 O O . CYS A 1 108 ? 6.355 -14.377 0.589 1.00 93.42 108 A 1 ATOM 819 C CB . CYS A 1 108 ? 4.442 -13.035 2.364 1.00 93.52 108 A 1 ATOM 820 S SG . CYS A 1 108 ? 4.062 -11.846 3.678 1.00 90.07 108 A 1 ATOM 821 N N . GLU A 1 109 ? 5.296 -13.329 -1.071 1.00 93.89 109 A 1 ATOM 822 C CA . GLU A 1 109 ? 5.787 -14.236 -2.107 1.00 93.50 109 A 1 ATOM 823 C C . GLU A 1 109 ? 7.259 -13.937 -2.427 1.00 93.50 109 A 1 ATOM 824 O O . GLU A 1 109 ? 7.665 -12.780 -2.554 1.00 92.50 109 A 1 ATOM 825 C CB . GLU A 1 109 ? 4.909 -14.156 -3.366 1.00 93.58 109 A 1 ATOM 826 C CG . GLU A 1 109 ? 3.472 -14.636 -3.092 1.00 89.98 109 A 1 ATOM 827 C CD . GLU A 1 109 ? 2.560 -14.617 -4.330 1.00 85.42 109 A 1 ATOM 828 O OE1 . GLU A 1 109 ? 1.353 -14.900 -4.142 1.00 75.90 109 A 1 ATOM 829 O OE2 . GLU A 1 109 ? 3.056 -14.347 -5.445 1.00 75.23 109 A 1 ATOM 830 N N . GLU A 1 110 ? 8.078 -14.990 -2.566 1.00 93.49 110 A 1 ATOM 831 C CA . GLU A 1 110 ? 9.504 -14.830 -2.892 1.00 93.13 110 A 1 ATOM 832 C C . GLU A 1 110 ? 9.706 -14.156 -4.255 1.00 93.33 110 A 1 ATOM 833 O O . GLU A 1 110 ? 10.664 -13.407 -4.439 1.00 90.80 110 A 1 ATOM 834 C CB . GLU A 1 110 ? 10.216 -16.192 -2.863 1.00 91.73 110 A 1 ATOM 835 C CG . GLU A 1 110 ? 10.282 -16.787 -1.443 1.00 86.31 110 A 1 ATOM 836 C CD . GLU A 1 110 ? 11.098 -18.091 -1.350 1.00 81.02 110 A 1 ATOM 837 O OE1 . GLU A 1 110 ? 11.294 -18.558 -0.201 1.00 72.83 110 A 1 ATOM 838 O OE2 . GLU A 1 110 ? 11.523 -18.622 -2.401 1.00 72.50 110 A 1 ATOM 839 N N . THR A 1 111 ? 8.762 -14.364 -5.176 1.00 94.10 111 A 1 ATOM 840 C CA . THR A 1 111 ? 8.781 -13.842 -6.548 1.00 93.99 111 A 1 ATOM 841 C C . THR A 1 111 ? 8.138 -12.461 -6.700 1.00 94.78 111 A 1 ATOM 842 O O . THR A 1 111 ? 8.011 -11.959 -7.813 1.00 93.92 111 A 1 ATOM 843 C CB . THR A 1 111 ? 8.107 -14.840 -7.501 1.00 93.34 111 A 1 ATOM 844 O OG1 . THR A 1 111 ? 6.781 -15.079 -7.081 1.00 90.63 111 A 1 ATOM 845 C CG2 . THR A 1 111 ? 8.832 -16.188 -7.524 1.00 88.20 111 A 1 ATOM 846 N N . VAL A 1 112 ? 7.754 -11.781 -5.608 1.00 94.43 112 A 1 ATOM 847 C CA . VAL A 1 112 ? 7.103 -10.456 -5.691 1.00 94.92 112 A 1 ATOM 848 C C . VAL A 1 112 ? 7.954 -9.413 -6.432 1.00 94.74 112 A 1 ATOM 849 O O . VAL A 1 112 ? 7.426 -8.481 -7.035 1.00 93.85 112 A 1 ATOM 850 C CB . VAL A 1 112 ? 6.730 -9.960 -4.280 1.00 94.32 112 A 1 ATOM 851 C CG1 . VAL A 1 112 ? 7.950 -9.574 -3.430 1.00 86.67 112 A 1 ATOM 852 C CG2 . VAL A 1 112 ? 5.777 -8.762 -4.336 1.00 86.81 112 A 1 ATOM 853 N N . HIS A 1 113 ? 9.279 -9.567 -6.398 1.00 94.64 113 A 1 ATOM 854 C CA . HIS A 1 113 ? 10.200 -8.715 -7.142 1.00 93.49 113 A 1 ATOM 855 C C . HIS A 1 113 ? 10.087 -8.912 -8.661 1.00 94.29 113 A 1 ATOM 856 O O . HIS A 1 113 ? 10.175 -7.919 -9.383 1.00 94.01 113 A 1 ATOM 857 C CB . HIS A 1 113 ? 11.630 -8.944 -6.645 1.00 91.41 113 A 1 ATOM 858 C CG . HIS A 1 113 ? 12.177 -10.324 -6.924 1.00 83.78 113 A 1 ATOM 859 N ND1 . HIS A 1 113 ? 11.890 -11.481 -6.243 1.00 70.79 113 A 1 ATOM 860 C CD2 . HIS A 1 113 ? 13.077 -10.643 -7.897 1.00 71.11 113 A 1 ATOM 861 C CE1 . HIS A 1 113 ? 12.598 -12.481 -6.797 1.00 67.21 113 A 1 ATOM 862 N NE2 . HIS A 1 113 ? 13.345 -12.016 -7.798 1.00 70.13 113 A 1 ATOM 863 N N . ASP A 1 114 ? 9.817 -10.141 -9.129 1.00 94.40 114 A 1 ATOM 864 C CA . ASP A 1 114 ? 9.563 -10.426 -10.543 1.00 95.07 114 A 1 ATOM 865 C C . ASP A 1 114 ? 8.262 -9.756 -10.984 1.00 95.53 114 A 1 ATOM 866 O O . ASP A 1 114 ? 8.258 -9.021 -11.966 1.00 95.22 114 A 1 ATOM 867 C CB . ASP A 1 114 ? 9.507 -11.938 -10.808 1.00 94.95 114 A 1 ATOM 868 C CG . ASP A 1 114 ? 10.807 -12.665 -10.463 1.00 92.40 114 A 1 ATOM 869 O OD1 . ASP A 1 114 ? 11.885 -12.130 -10.803 1.00 88.60 114 A 1 ATOM 870 O OD2 . ASP A 1 114 ? 10.720 -13.745 -9.838 1.00 88.49 114 A 1 ATOM 871 N N . SER A 1 115 ? 7.193 -9.887 -10.191 1.00 95.20 115 A 1 ATOM 872 C CA . SER A 1 115 ? 5.912 -9.223 -10.465 1.00 94.92 115 A 1 ATOM 873 C C . SER A 1 115 ? 6.044 -7.697 -10.537 1.00 95.50 115 A 1 ATOM 874 O O . SER A 1 115 ? 5.459 -7.058 -11.407 1.00 95.15 115 A 1 ATOM 875 C CB . SER A 1 115 ? 4.887 -9.569 -9.382 1.00 94.53 115 A 1 ATOM 876 O OG . SER A 1 115 ? 4.716 -10.970 -9.255 1.00 90.18 115 A 1 ATOM 877 N N . TYR A 1 116 ? 6.834 -7.094 -9.637 1.00 94.53 116 A 1 ATOM 878 C CA . TYR A 1 116 ? 7.130 -5.660 -9.694 1.00 94.95 116 A 1 ATOM 879 C C . TYR A 1 116 ? 7.906 -5.287 -10.963 1.00 95.06 116 A 1 ATOM 880 O O . TYR A 1 116 ? 7.583 -4.296 -11.619 1.00 95.03 116 A 1 ATOM 881 C CB . TYR A 1 116 ? 7.909 -5.241 -8.439 1.00 94.88 116 A 1 ATOM 882 C CG . TYR A 1 116 ? 8.355 -3.787 -8.465 1.00 94.40 116 A 1 ATOM 883 C CD1 . TYR A 1 116 ? 9.708 -3.458 -8.693 1.00 90.40 116 A 1 ATOM 884 C CD2 . TYR A 1 116 ? 7.408 -2.758 -8.313 1.00 90.67 116 A 1 ATOM 885 C CE1 . TYR A 1 116 ? 10.109 -2.106 -8.750 1.00 88.66 116 A 1 ATOM 886 C CE2 . TYR A 1 116 ? 7.802 -1.407 -8.372 1.00 88.46 116 A 1 ATOM 887 C CZ . TYR A 1 116 ? 9.153 -1.079 -8.585 1.00 89.24 116 A 1 ATOM 888 O OH . TYR A 1 116 ? 9.535 0.230 -8.631 1.00 88.22 116 A 1 ATOM 889 N N . HIS A 1 117 ? 8.920 -6.085 -11.320 1.00 95.07 117 A 1 ATOM 890 C CA . HIS A 1 117 ? 9.735 -5.850 -12.506 1.00 94.89 117 A 1 ATOM 891 C C . HIS A 1 117 ? 8.919 -5.971 -13.803 1.00 95.25 117 A 1 ATOM 892 O O . HIS A 1 117 ? 8.985 -5.090 -14.657 1.00 95.39 117 A 1 ATOM 893 C CB . HIS A 1 117 ? 10.918 -6.821 -12.500 1.00 94.04 117 A 1 ATOM 894 C CG . HIS A 1 117 ? 11.864 -6.581 -13.646 1.00 85.55 117 A 1 ATOM 895 N ND1 . HIS A 1 117 ? 12.589 -5.433 -13.854 1.00 73.14 117 A 1 ATOM 896 C CD2 . HIS A 1 117 ? 12.155 -7.437 -14.671 1.00 71.07 117 A 1 ATOM 897 C CE1 . HIS A 1 117 ? 13.306 -5.594 -14.976 1.00 70.55 117 A 1 ATOM 898 N NE2 . HIS A 1 117 ? 13.080 -6.801 -15.511 1.00 71.08 117 A 1 ATOM 899 N N . GLU A 1 118 ? 8.109 -7.025 -13.926 1.00 95.41 118 A 1 ATOM 900 C CA . GLU A 1 118 ? 7.208 -7.233 -15.063 1.00 95.80 118 A 1 ATOM 901 C C . GLU A 1 118 ? 6.193 -6.093 -15.199 1.00 96.25 118 A 1 ATOM 902 O O . GLU A 1 118 ? 5.991 -5.571 -16.294 1.00 96.04 118 A 1 ATOM 903 C CB . GLU A 1 118 ? 6.458 -8.563 -14.900 1.00 95.66 118 A 1 ATOM 904 C CG . GLU A 1 118 ? 7.362 -9.787 -15.124 1.00 90.30 118 A 1 ATOM 905 C CD . GLU A 1 118 ? 6.615 -11.124 -14.945 1.00 86.08 118 A 1 ATOM 906 O OE1 . GLU A 1 118 ? 7.255 -12.169 -15.199 1.00 76.88 118 A 1 ATOM 907 O OE2 . GLU A 1 118 ? 5.410 -11.105 -14.606 1.00 78.53 118 A 1 ATOM 908 N N . TRP A 1 119 ? 5.597 -5.668 -14.081 1.00 96.08 119 A 1 ATOM 909 C CA . TRP A 1 119 ? 4.705 -4.508 -14.063 1.00 96.41 119 A 1 ATOM 910 C C . TRP A 1 119 ? 5.417 -3.242 -14.548 1.00 96.78 119 A 1 ATOM 911 O O . TRP A 1 119 ? 4.888 -2.540 -15.405 1.00 96.65 119 A 1 ATOM 912 C CB . TRP A 1 119 ? 4.141 -4.316 -12.653 1.00 96.56 119 A 1 ATOM 913 C CG . TRP A 1 119 ? 3.423 -3.016 -12.456 1.00 96.44 119 A 1 ATOM 914 C CD1 . TRP A 1 119 ? 2.128 -2.773 -12.753 1.00 95.66 119 A 1 ATOM 915 C CD2 . TRP A 1 119 ? 3.970 -1.749 -11.975 1.00 96.56 119 A 1 ATOM 916 N NE1 . TRP A 1 119 ? 1.828 -1.452 -12.482 1.00 95.39 119 A 1 ATOM 917 C CE2 . TRP A 1 119 ? 2.930 -0.773 -12.001 1.00 96.01 119 A 1 ATOM 918 C CE3 . TRP A 1 119 ? 5.241 -1.324 -11.525 1.00 95.59 119 A 1 ATOM 919 C CZ2 . TRP A 1 119 ? 3.139 0.558 -11.599 1.00 94.88 119 A 1 ATOM 920 C CZ3 . TRP A 1 119 ? 5.458 0.008 -11.123 1.00 94.79 119 A 1 ATOM 921 C CH2 . TRP A 1 119 ? 4.412 0.949 -11.156 1.00 94.25 119 A 1 ATOM 922 N N . PHE A 1 120 ? 6.628 -2.976 -14.030 1.00 95.56 120 A 1 ATOM 923 C CA . PHE A 1 120 ? 7.407 -1.804 -14.427 1.00 95.40 120 A 1 ATOM 924 C C . PHE A 1 120 ? 7.736 -1.813 -15.927 1.00 95.90 120 A 1 ATOM 925 O O . PHE A 1 120 ? 7.551 -0.802 -16.598 1.00 96.13 120 A 1 ATOM 926 C CB . PHE A 1 120 ? 8.685 -1.721 -13.577 1.00 94.83 120 A 1 ATOM 927 C CG . PHE A 1 120 ? 9.579 -0.556 -13.968 1.00 92.24 120 A 1 ATOM 928 C CD1 . PHE A 1 120 ? 10.707 -0.764 -14.787 1.00 87.55 120 A 1 ATOM 929 C CD2 . PHE A 1 120 ? 9.254 0.752 -13.552 1.00 87.94 120 A 1 ATOM 930 C CE1 . PHE A 1 120 ? 11.505 0.334 -15.183 1.00 84.20 120 A 1 ATOM 931 C CE2 . PHE A 1 120 ? 10.046 1.847 -13.956 1.00 84.47 120 A 1 ATOM 932 C CZ . PHE A 1 120 ? 11.173 1.637 -14.771 1.00 83.53 120 A 1 ATOM 933 N N . LEU A 1 121 ? 8.167 -2.954 -16.478 1.00 95.94 121 A 1 ATOM 934 C CA . LEU A 1 121 ? 8.450 -3.104 -17.911 1.00 96.07 121 A 1 ATOM 935 C C . LEU A 1 121 ? 7.204 -2.943 -18.792 1.00 96.41 121 A 1 ATOM 936 O O . LEU A 1 121 ? 7.320 -2.542 -19.946 1.00 96.42 121 A 1 ATOM 937 C CB . LEU A 1 121 ? 9.071 -4.485 -18.171 1.00 96.01 121 A 1 ATOM 938 C CG . LEU A 1 121 ? 10.514 -4.679 -17.678 1.00 92.90 121 A 1 ATOM 939 C CD1 . LEU A 1 121 ? 10.956 -6.091 -18.077 1.00 87.84 121 A 1 ATOM 940 C CD2 . LEU A 1 121 ? 11.495 -3.678 -18.299 1.00 87.28 121 A 1 ATOM 941 N N . ALA A 1 122 ? 6.024 -3.271 -18.265 1.00 96.63 122 A 1 ATOM 942 C CA . ALA A 1 122 ? 4.760 -3.111 -18.971 1.00 96.63 122 A 1 ATOM 943 C C . ALA A 1 122 ? 4.204 -1.674 -18.898 1.00 97.09 122 A 1 ATOM 944 O O . ALA A 1 122 ? 3.286 -1.340 -19.648 1.00 96.69 122 A 1 ATOM 945 C CB . ALA A 1 122 ? 3.784 -4.154 -18.412 1.00 96.36 122 A 1 ATOM 946 N N . CYS A 1 123 ? 4.723 -0.817 -18.013 1.00 96.30 123 A 1 ATOM 947 C CA . CYS A 1 123 ? 4.332 0.590 -17.938 1.00 96.32 123 A 1 ATOM 948 C C . CYS A 1 123 ? 4.825 1.379 -19.164 1.00 96.68 123 A 1 ATOM 949 O O . CYS A 1 123 ? 5.947 1.216 -19.633 1.00 96.73 123 A 1 ATOM 950 C CB . CYS A 1 123 ? 4.833 1.220 -16.632 1.00 96.25 123 A 1 ATOM 951 S SG . CYS A 1 123 ? 3.904 0.557 -15.215 1.00 95.79 123 A 1 ATOM 952 N N . GLU A 1 124 ? 3.988 2.287 -19.658 1.00 96.77 124 A 1 ATOM 953 C CA . GLU A 1 124 ? 4.295 3.132 -20.813 1.00 96.92 124 A 1 ATOM 954 C C . GLU A 1 124 ? 4.534 4.584 -20.377 1.00 97.00 124 A 1 ATOM 955 O O . GLU A 1 124 ? 3.846 5.104 -19.494 1.00 96.54 124 A 1 ATOM 956 C CB . GLU A 1 124 ? 3.163 3.071 -21.850 1.00 96.64 124 A 1 ATOM 957 C CG . GLU A 1 124 ? 2.904 1.679 -22.454 1.00 93.91 124 A 1 ATOM 958 C CD . GLU A 1 124 ? 1.718 1.674 -23.444 1.00 92.17 124 A 1 ATOM 959 O OE1 . GLU A 1 124 ? 1.431 0.605 -24.023 1.00 83.21 124 A 1 ATOM 960 O OE2 . GLU A 1 124 ? 1.063 2.735 -23.622 1.00 84.52 124 A 1 ATOM 961 N N . HIS A 1 125 ? 5.474 5.253 -21.047 1.00 96.97 125 A 1 ATOM 962 C CA . HIS A 1 125 ? 5.774 6.678 -20.841 1.00 96.96 125 A 1 ATOM 963 C C . HIS A 1 125 ? 6.133 7.046 -19.387 1.00 97.16 125 A 1 ATOM 964 O O . HIS A 1 125 ? 5.740 8.100 -18.889 1.00 96.17 125 A 1 ATOM 965 C CB . HIS A 1 125 ? 4.633 7.539 -21.416 1.00 96.80 125 A 1 ATOM 966 C CG . HIS A 1 125 ? 4.323 7.212 -22.856 1.00 96.42 125 A 1 ATOM 967 N ND1 . HIS A 1 125 ? 5.030 7.653 -23.947 1.00 84.32 125 A 1 ATOM 968 C CD2 . HIS A 1 125 ? 3.319 6.411 -23.319 1.00 86.65 125 A 1 ATOM 969 C CE1 . HIS A 1 125 ? 4.456 7.132 -25.047 1.00 88.74 125 A 1 ATOM 970 N NE2 . HIS A 1 125 ? 3.411 6.364 -24.716 1.00 90.82 125 A 1 ATOM 971 N N . VAL A 1 126 ? 6.883 6.166 -18.701 1.00 96.50 126 A 1 ATOM 972 C CA . VAL A 1 126 ? 7.302 6.373 -17.306 1.00 96.31 126 A 1 ATOM 973 C C . VAL A 1 126 ? 8.149 7.653 -17.189 1.00 96.42 126 A 1 ATOM 974 O O . VAL A 1 126 ? 9.192 7.750 -17.845 1.00 96.06 126 A 1 ATOM 975 C CB . VAL A 1 126 ? 8.085 5.162 -16.759 1.00 95.83 126 A 1 ATOM 976 C CG1 . VAL A 1 126 ? 8.385 5.333 -15.263 1.00 94.04 126 A 1 ATOM 977 C CG2 . VAL A 1 126 ? 7.307 3.849 -16.930 1.00 94.33 126 A 1 ATOM 978 N N . PRO A 1 127 ? 7.746 8.632 -16.356 1.00 96.90 127 A 1 ATOM 979 C CA . PRO A 1 127 ? 8.552 9.826 -16.125 1.00 96.26 127 A 1 ATOM 980 C C . PRO A 1 127 ? 9.917 9.476 -15.517 1.00 96.22 127 A 1 ATOM 981 O O . PRO A 1 127 ? 10.006 8.699 -14.572 1.00 95.74 127 A 1 ATOM 982 C CB . PRO A 1 127 ? 7.722 10.725 -15.200 1.00 95.91 127 A 1 ATOM 983 C CG . PRO A 1 127 ? 6.282 10.245 -15.417 1.00 95.35 127 A 1 ATOM 984 C CD . PRO A 1 127 ? 6.460 8.751 -15.678 1.00 96.61 127 A 1 ATOM 985 N N . SER A 1 128 ? 10.988 10.067 -16.052 1.00 96.16 128 A 1 ATOM 986 C CA . SER A 1 128 ? 12.367 9.763 -15.638 1.00 95.43 128 A 1 ATOM 987 C C . SER A 1 128 ? 12.745 10.290 -14.249 1.00 95.12 128 A 1 ATOM 988 O O . SER A 1 128 ? 13.799 9.939 -13.729 1.00 93.65 128 A 1 ATOM 989 C CB . SER A 1 128 ? 13.346 10.323 -16.673 1.00 94.92 128 A 1 ATOM 990 O OG . SER A 1 128 ? 13.175 11.721 -16.834 1.00 89.61 128 A 1 ATOM 991 N N . ASP A 1 129 ? 11.923 11.159 -13.675 1.00 95.54 129 A 1 ATOM 992 C CA . ASP A 1 129 ? 12.117 11.806 -12.379 1.00 95.06 129 A 1 ATOM 993 C C . ASP A 1 129 ? 11.357 11.122 -11.231 1.00 95.69 129 A 1 ATOM 994 O O . ASP A 1 129 ? 11.479 11.551 -10.083 1.00 94.18 129 A 1 ATOM 995 C CB . ASP A 1 129 ? 11.752 13.299 -12.508 1.00 93.79 129 A 1 ATOM 996 C CG . ASP A 1 129 ? 10.285 13.576 -12.888 1.00 89.36 129 A 1 ATOM 997 O OD1 . ASP A 1 129 ? 9.686 12.749 -13.614 1.00 84.58 129 A 1 ATOM 998 O OD2 . ASP A 1 129 ? 9.792 14.668 -12.518 1.00 84.80 129 A 1 ATOM 999 N N . LEU A 1 130 ? 10.604 10.047 -11.510 1.00 95.92 130 A 1 ATOM 1000 C CA . LEU A 1 130 ? 9.950 9.265 -10.460 1.00 95.74 130 A 1 ATOM 1001 C C . LEU A 1 130 ? 10.975 8.506 -9.610 1.00 95.22 130 A 1 ATOM 1002 O O . LEU A 1 130 ? 11.839 7.798 -10.124 1.00 93.94 130 A 1 ATOM 1003 C CB . LEU A 1 130 ? 8.914 8.292 -11.050 1.00 95.69 130 A 1 ATOM 1004 C CG . LEU A 1 130 ? 7.654 8.962 -11.627 1.00 94.55 130 A 1 ATOM 1005 C CD1 . LEU A 1 130 ? 6.711 7.884 -12.166 1.00 92.38 130 A 1 ATOM 1006 C CD2 . LEU A 1 130 ? 6.872 9.768 -10.587 1.00 92.73 130 A 1 ATOM 1007 N N . THR A 1 131 ? 10.833 8.607 -8.275 1.00 94.74 131 A 1 ATOM 1008 C CA . THR A 1 131 ? 11.658 7.854 -7.324 1.00 93.91 131 A 1 ATOM 1009 C C . THR A 1 131 ? 11.193 6.397 -7.214 1.00 94.10 131 A 1 ATOM 1010 O O . THR A 1 131 ? 10.047 6.054 -7.522 1.00 94.25 131 A 1 ATOM 1011 C CB . THR A 1 131 ? 11.718 8.514 -5.933 1.00 93.67 131 A 1 ATOM 1012 O OG1 . THR A 1 131 ? 10.530 8.347 -5.205 1.00 92.07 131 A 1 ATOM 1013 C CG2 . THR A 1 131 ? 12.043 10.008 -5.981 1.00 90.82 131 A 1 ATOM 1014 N N . GLU A 1 132 ? 12.061 5.519 -6.698 1.00 93.53 132 A 1 ATOM 1015 C CA . GLU A 1 132 ? 11.704 4.127 -6.374 1.00 92.92 132 A 1 ATOM 1016 C C . GLU A 1 132 ? 10.491 4.069 -5.428 1.00 94.10 132 A 1 ATOM 1017 O O . GLU A 1 132 ? 9.588 3.252 -5.604 1.00 93.71 132 A 1 ATOM 1018 C CB . GLU A 1 132 ? 12.925 3.425 -5.739 1.00 90.86 132 A 1 ATOM 1019 C CG . GLU A 1 132 ? 12.720 1.913 -5.494 1.00 77.25 132 A 1 ATOM 1020 C CD . GLU A 1 132 ? 13.862 1.249 -4.687 1.00 71.05 132 A 1 ATOM 1021 O OE1 . GLU A 1 132 ? 13.637 0.156 -4.103 1.00 63.00 132 A 1 ATOM 1022 O OE2 . GLU A 1 132 ? 14.954 1.843 -4.576 1.00 62.92 132 A 1 ATOM 1023 N N . THR A 1 133 ? 10.421 4.982 -4.459 1.00 93.35 133 A 1 ATOM 1024 C CA . THR A 1 133 ? 9.296 5.068 -3.520 1.00 93.84 133 A 1 ATOM 1025 C C . THR A 1 133 ? 7.990 5.402 -4.239 1.00 94.81 133 A 1 ATOM 1026 O O . THR A 1 133 ? 6.976 4.747 -4.002 1.00 94.83 133 A 1 ATOM 1027 C CB . THR A 1 133 ? 9.585 6.090 -2.415 1.00 93.57 133 A 1 ATOM 1028 O OG1 . THR A 1 133 ? 10.736 5.688 -1.711 1.00 91.58 133 A 1 ATOM 1029 C CG2 . THR A 1 133 ? 8.451 6.170 -1.390 1.00 91.32 133 A 1 ATOM 1030 N N . GLN A 1 134 ? 8.005 6.363 -5.158 1.00 95.27 134 A 1 ATOM 1031 C CA . GLN A 1 134 ? 6.828 6.760 -5.937 1.00 96.18 134 A 1 ATOM 1032 C C . GLN A 1 134 ? 6.354 5.635 -6.869 1.00 96.44 134 A 1 ATOM 1033 O O . GLN A 1 134 ? 5.166 5.309 -6.897 1.00 96.41 134 A 1 ATOM 1034 C CB . GLN A 1 134 ? 7.170 8.020 -6.737 1.00 96.54 134 A 1 ATOM 1035 C CG . GLN A 1 134 ? 7.344 9.254 -5.836 1.00 96.12 134 A 1 ATOM 1036 C CD . GLN A 1 134 ? 8.023 10.419 -6.544 1.00 95.89 134 A 1 ATOM 1037 O OE1 . GLN A 1 134 ? 8.524 10.321 -7.650 1.00 91.84 134 A 1 ATOM 1038 N NE2 . GLN A 1 134 ? 8.085 11.574 -5.924 1.00 90.13 134 A 1 ATOM 1039 N N . LEU A 1 135 ? 7.280 4.972 -7.572 1.00 96.12 135 A 1 ATOM 1040 C CA . LEU A 1 135 ? 6.963 3.817 -8.417 1.00 96.09 135 A 1 ATOM 1041 C C . LEU A 1 135 ? 6.386 2.656 -7.599 1.00 96.36 135 A 1 ATOM 1042 O O . LEU A 1 135 ? 5.377 2.062 -7.973 1.00 96.36 135 A 1 ATOM 1043 C CB . LEU A 1 135 ? 8.235 3.375 -9.160 1.00 95.93 135 A 1 ATOM 1044 C CG . LEU A 1 135 ? 8.669 4.332 -10.284 1.00 93.01 135 A 1 ATOM 1045 C CD1 . LEU A 1 135 ? 10.071 3.962 -10.756 1.00 91.07 135 A 1 ATOM 1046 C CD2 . LEU A 1 135 ? 7.721 4.252 -11.484 1.00 91.75 135 A 1 ATOM 1047 N N . SER A 1 136 ? 6.976 2.360 -6.445 1.00 95.67 136 A 1 ATOM 1048 C CA . SER A 1 136 ? 6.482 1.291 -5.573 1.00 95.08 136 A 1 ATOM 1049 C C . SER A 1 136 ? 5.124 1.608 -4.923 1.00 95.81 136 A 1 ATOM 1050 O O . SER A 1 136 ? 4.351 0.690 -4.662 1.00 95.78 136 A 1 ATOM 1051 C CB . SER A 1 136 ? 7.540 0.927 -4.531 1.00 93.94 136 A 1 ATOM 1052 O OG . SER A 1 136 ? 7.759 1.986 -3.625 1.00 84.22 136 A 1 ATOM 1053 N N . LEU A 1 137 ? 4.787 2.887 -4.709 1.00 95.70 137 A 1 ATOM 1054 C CA . LEU A 1 137 ? 3.441 3.316 -4.310 1.00 96.29 137 A 1 ATOM 1055 C C . LEU A 1 137 ? 2.418 3.085 -5.426 1.00 96.69 137 A 1 ATOM 1056 O O . LEU A 1 137 ? 1.334 2.577 -5.151 1.00 96.53 137 A 1 ATOM 1057 C CB . LEU A 1 137 ? 3.451 4.805 -3.929 1.00 96.28 137 A 1 ATOM 1058 C CG . LEU A 1 137 ? 3.993 5.114 -2.527 1.00 95.22 137 A 1 ATOM 1059 C CD1 . LEU A 1 137 ? 4.242 6.618 -2.416 1.00 93.58 137 A 1 ATOM 1060 C CD2 . LEU A 1 137 ? 2.994 4.719 -1.440 1.00 94.38 137 A 1 ATOM 1061 N N . LEU A 1 138 ? 2.765 3.417 -6.674 1.00 96.70 138 A 1 ATOM 1062 C CA . LEU A 1 138 ? 1.906 3.162 -7.834 1.00 96.69 138 A 1 ATOM 1063 C C . LEU A 1 138 ? 1.636 1.664 -8.000 1.00 96.70 138 A 1 ATOM 1064 O O . LEU A 1 138 ? 0.480 1.267 -8.132 1.00 96.54 138 A 1 ATOM 1065 C CB . LEU A 1 138 ? 2.561 3.750 -9.094 1.00 96.97 138 A 1 ATOM 1066 C CG . LEU A 1 138 ? 2.547 5.287 -9.142 1.00 96.42 138 A 1 ATOM 1067 C CD1 . LEU A 1 138 ? 3.529 5.782 -10.196 1.00 94.92 138 A 1 ATOM 1068 C CD2 . LEU A 1 138 ? 1.157 5.826 -9.491 1.00 95.11 138 A 1 ATOM 1069 N N . PHE A 1 139 ? 2.670 0.828 -7.889 1.00 96.34 139 A 1 ATOM 1070 C CA . PHE A 1 139 ? 2.513 -0.626 -7.907 1.00 96.17 139 A 1 ATOM 1071 C C . PHE A 1 139 ? 1.625 -1.130 -6.764 1.00 96.20 139 A 1 ATOM 1072 O O . PHE A 1 139 ? 0.724 -1.930 -6.987 1.00 96.31 139 A 1 ATOM 1073 C CB . PHE A 1 139 ? 3.889 -1.287 -7.849 1.00 96.15 139 A 1 ATOM 1074 C CG . PHE A 1 139 ? 3.825 -2.804 -7.895 1.00 95.63 139 A 1 ATOM 1075 C CD1 . PHE A 1 139 ? 4.310 -3.573 -6.817 1.00 92.38 139 A 1 ATOM 1076 C CD2 . PHE A 1 139 ? 3.272 -3.451 -9.015 1.00 92.88 139 A 1 ATOM 1077 C CE1 . PHE A 1 139 ? 4.256 -4.977 -6.873 1.00 91.41 139 A 1 ATOM 1078 C CE2 . PHE A 1 139 ? 3.215 -4.855 -9.066 1.00 91.08 139 A 1 ATOM 1079 C CZ . PHE A 1 139 ? 3.711 -5.620 -7.998 1.00 92.19 139 A 1 ATOM 1080 N N . ALA A 1 140 ? 1.809 -0.627 -5.541 1.00 96.48 140 A 1 ATOM 1081 C CA . ALA A 1 140 ? 0.960 -0.978 -4.405 1.00 96.43 140 A 1 ATOM 1082 C C . ALA A 1 140 ? -0.514 -0.605 -4.637 1.00 96.40 140 A 1 ATOM 1083 O O . ALA A 1 140 ? -1.405 -1.363 -4.258 1.00 96.03 140 A 1 ATOM 1084 C CB . ALA A 1 140 ? 1.516 -0.294 -3.149 1.00 96.16 140 A 1 ATOM 1085 N N . GLY A 1 141 ? -0.771 0.544 -5.277 1.00 96.43 141 A 1 ATOM 1086 C CA . GLY A 1 141 ? -2.110 0.965 -5.682 1.00 95.89 141 A 1 ATOM 1087 C C . GLY A 1 141 ? -2.748 0.003 -6.686 1.00 95.83 141 A 1 ATOM 1088 O O . GLY A 1 141 ? -3.877 -0.426 -6.474 1.00 95.44 141 A 1 ATOM 1089 N N . GLU A 1 142 ? -2.007 -0.413 -7.722 1.00 96.24 142 A 1 ATOM 1090 C CA . GLU A 1 142 ? -2.470 -1.400 -8.710 1.00 95.79 142 A 1 ATOM 1091 C C . GLU A 1 142 ? -2.773 -2.764 -8.066 1.00 96.07 142 A 1 ATOM 1092 O O . GLU A 1 142 ? -3.786 -3.393 -8.378 1.00 95.29 142 A 1 ATOM 1093 C CB . GLU A 1 142 ? -1.395 -1.596 -9.793 1.00 95.14 142 A 1 ATOM 1094 C CG . GLU A 1 142 ? -1.238 -0.409 -10.752 1.00 89.28 142 A 1 ATOM 1095 C CD . GLU A 1 142 ? -2.236 -0.431 -11.922 1.00 86.41 142 A 1 ATOM 1096 O OE1 . GLU A 1 142 ? -2.914 0.577 -12.152 1.00 77.14 142 A 1 ATOM 1097 O OE2 . GLU A 1 142 ? -2.245 -1.447 -12.662 1.00 78.07 142 A 1 ATOM 1098 N N . VAL A 1 143 ? -1.929 -3.220 -7.130 1.00 95.73 143 A 1 ATOM 1099 C CA . VAL A 1 143 ? -2.157 -4.471 -6.390 1.00 95.59 143 A 1 ATOM 1100 C C . VAL A 1 143 ? -3.418 -4.370 -5.531 1.00 95.69 143 A 1 ATOM 1101 O O . VAL A 1 143 ? -4.248 -5.275 -5.560 1.00 95.55 143 A 1 ATOM 1102 C CB . VAL A 1 143 ? -0.921 -4.845 -5.544 1.00 95.59 143 A 1 ATOM 1103 C CG1 . VAL A 1 143 ? -1.184 -6.053 -4.630 1.00 94.06 143 A 1 ATOM 1104 C CG2 . VAL A 1 143 ? 0.268 -5.220 -6.436 1.00 94.13 143 A 1 ATOM 1105 N N . LEU A 1 144 ? -3.607 -3.276 -4.791 1.00 96.06 144 A 1 ATOM 1106 C CA . LEU A 1 144 ? -4.819 -3.055 -3.996 1.00 96.05 144 A 1 ATOM 1107 C C . LEU A 1 144 ? -6.078 -3.037 -4.861 1.00 95.99 144 A 1 ATOM 1108 O O . LEU A 1 144 ? -7.068 -3.677 -4.504 1.00 95.49 144 A 1 ATOM 1109 C CB . LEU A 1 144 ? -4.704 -1.733 -3.220 1.00 95.26 144 A 1 ATOM 1110 C CG . LEU A 1 144 ? -3.889 -1.834 -1.924 1.00 90.69 144 A 1 ATOM 1111 C CD1 . LEU A 1 144 ? -3.628 -0.432 -1.381 1.00 89.27 144 A 1 ATOM 1112 C CD2 . LEU A 1 144 ? -4.649 -2.623 -0.853 1.00 89.76 144 A 1 ATOM 1113 N N . ASP A 1 145 ? -6.036 -2.342 -5.998 1.00 95.91 145 A 1 ATOM 1114 C CA . ASP A 1 145 ? -7.150 -2.258 -6.939 1.00 94.97 145 A 1 ATOM 1115 C C . ASP A 1 145 ? -7.520 -3.644 -7.489 1.00 95.08 145 A 1 ATOM 1116 O O . ASP A 1 145 ? -8.690 -4.032 -7.482 1.00 94.96 145 A 1 ATOM 1117 C CB . ASP A 1 145 ? -6.781 -1.270 -8.052 1.00 93.79 145 A 1 ATOM 1118 C CG . ASP A 1 145 ? -7.971 -0.982 -8.962 1.00 85.01 145 A 1 ATOM 1119 O OD1 . ASP A 1 145 ? -9.012 -0.550 -8.415 1.00 80.84 145 A 1 ATOM 1120 O OD2 . ASP A 1 145 ? -7.841 -1.196 -10.182 1.00 78.02 145 A 1 ATOM 1121 N N . GLN A 1 146 ? -6.532 -4.467 -7.856 1.00 94.93 146 A 1 ATOM 1122 C CA . GLN A 1 146 ? -6.760 -5.852 -8.269 1.00 94.40 146 A 1 ATOM 1123 C C . GLN A 1 146 ? -7.428 -6.689 -7.171 1.00 95.02 146 A 1 ATOM 1124 O O . GLN A 1 146 ? -8.383 -7.419 -7.451 1.00 94.71 146 A 1 ATOM 1125 C CB . GLN A 1 146 ? -5.437 -6.513 -8.673 1.00 94.11 146 A 1 ATOM 1126 C CG . GLN A 1 146 ? -4.919 -6.015 -10.028 1.00 84.24 146 A 1 ATOM 1127 C CD . GLN A 1 146 ? -3.603 -6.676 -10.421 1.00 78.84 146 A 1 ATOM 1128 O OE1 . GLN A 1 146 ? -3.062 -7.532 -9.753 1.00 72.47 146 A 1 ATOM 1129 N NE2 . GLN A 1 146 ? -3.039 -6.327 -11.552 1.00 66.84 146 A 1 ATOM 1130 N N . MET A 1 147 ? -6.963 -6.586 -5.923 1.00 93.91 147 A 1 ATOM 1131 C CA . MET A 1 147 ? -7.561 -7.325 -4.806 1.00 94.00 147 A 1 ATOM 1132 C C . MET A 1 147 ? -9.004 -6.884 -4.540 1.00 94.35 147 A 1 ATOM 1133 O O . MET A 1 147 ? -9.870 -7.729 -4.305 1.00 94.06 147 A 1 ATOM 1134 C CB . MET A 1 147 ? -6.702 -7.180 -3.533 1.00 94.25 147 A 1 ATOM 1135 C CG . MET A 1 147 ? -5.295 -7.784 -3.677 1.00 91.97 147 A 1 ATOM 1136 S SD . MET A 1 147 ? -5.236 -9.537 -4.116 1.00 89.76 147 A 1 ATOM 1137 C CE . MET A 1 147 ? -3.560 -9.599 -4.808 1.00 80.80 147 A 1 ATOM 1138 N N . LEU A 1 148 ? -9.297 -5.588 -4.635 1.00 95.04 148 A 1 ATOM 1139 C CA . LEU A 1 148 ? -10.661 -5.066 -4.520 1.00 94.57 148 A 1 ATOM 1140 C C . LEU A 1 148 ? -11.574 -5.625 -5.616 1.00 94.05 148 A 1 ATOM 1141 O O . LEU A 1 148 ? -12.667 -6.111 -5.309 1.00 93.51 148 A 1 ATOM 1142 C CB . LEU A 1 148 ? -10.636 -3.526 -4.570 1.00 94.61 148 A 1 ATOM 1143 C CG . LEU A 1 148 ? -10.144 -2.859 -3.275 1.00 92.16 148 A 1 ATOM 1144 C CD1 . LEU A 1 148 ? -9.892 -1.374 -3.523 1.00 90.00 148 A 1 ATOM 1145 C CD2 . LEU A 1 148 ? -11.180 -2.982 -2.150 1.00 91.13 148 A 1 ATOM 1146 N N . HIS A 1 149 ? -11.127 -5.632 -6.874 1.00 94.54 149 A 1 ATOM 1147 C CA . HIS A 1 149 ? -11.880 -6.202 -7.992 1.00 93.69 149 A 1 ATOM 1148 C C . HIS A 1 149 ? -12.135 -7.702 -7.816 1.00 93.30 149 A 1 ATOM 1149 O O . HIS A 1 149 ? -13.250 -8.173 -8.052 1.00 91.76 149 A 1 ATOM 1150 C CB . HIS A 1 149 ? -11.136 -5.936 -9.305 1.00 93.01 149 A 1 ATOM 1151 C CG . HIS A 1 149 ? -11.318 -4.527 -9.810 1.00 86.47 149 A 1 ATOM 1152 N ND1 . HIS A 1 149 ? -10.515 -3.449 -9.541 1.00 72.65 149 A 1 ATOM 1153 C CD2 . HIS A 1 149 ? -12.317 -4.088 -10.636 1.00 71.42 149 A 1 ATOM 1154 C CE1 . HIS A 1 149 ? -11.020 -2.382 -10.187 1.00 72.35 149 A 1 ATOM 1155 N NE2 . HIS A 1 149 ? -12.116 -2.721 -10.877 1.00 74.06 149 A 1 ATOM 1156 N N . GLN A 1 150 ? -11.142 -8.471 -7.354 1.00 92.70 150 A 1 ATOM 1157 C CA . GLN A 1 150 ? -11.304 -9.901 -7.079 1.00 91.56 150 A 1 ATOM 1158 C C . GLN A 1 150 ? -12.342 -10.164 -5.977 1.00 91.77 150 A 1 ATOM 1159 O O . GLN A 1 150 ? -13.181 -11.055 -6.121 1.00 90.17 150 A 1 ATOM 1160 C CB . GLN A 1 150 ? -9.956 -10.515 -6.678 1.00 91.22 150 A 1 ATOM 1161 C CG . GLN A 1 150 ? -9.002 -10.678 -7.873 1.00 83.23 150 A 1 ATOM 1162 C CD . GLN A 1 150 ? -7.658 -11.272 -7.461 1.00 79.40 150 A 1 ATOM 1163 O OE1 . GLN A 1 150 ? -7.386 -11.581 -6.313 1.00 74.10 150 A 1 ATOM 1164 N NE2 . GLN A 1 150 ? -6.757 -11.481 -8.397 1.00 69.60 150 A 1 ATOM 1165 N N . LEU A 1 151 ? -12.330 -9.378 -4.902 1.00 90.54 151 A 1 ATOM 1166 C CA . LEU A 1 151 ? -13.315 -9.493 -3.825 1.00 89.47 151 A 1 ATOM 1167 C C . LEU A 1 151 ? -14.739 -9.201 -4.322 1.00 87.70 151 A 1 ATOM 1168 O O . LEU A 1 151 ? -15.672 -9.934 -3.984 1.00 86.45 151 A 1 ATOM 1169 C CB . LEU A 1 151 ? -12.934 -8.539 -2.677 1.00 90.67 151 A 1 ATOM 1170 C CG . LEU A 1 151 ? -11.703 -8.976 -1.859 1.00 88.86 151 A 1 ATOM 1171 C CD1 . LEU A 1 151 ? -11.296 -7.840 -0.920 1.00 85.58 151 A 1 ATOM 1172 C CD2 . LEU A 1 151 ? -11.983 -10.220 -1.017 1.00 87.36 151 A 1 ATOM 1173 N N . GLN A 1 152 ? -14.918 -8.164 -5.142 1.00 90.23 152 A 1 ATOM 1174 C CA . GLN A 1 152 ? -16.214 -7.802 -5.723 1.00 87.52 152 A 1 ATOM 1175 C C . GLN A 1 152 ? -16.722 -8.854 -6.725 1.00 86.32 152 A 1 ATOM 1176 O O . GLN A 1 152 ? -17.904 -9.215 -6.693 1.00 82.72 152 A 1 ATOM 1177 C CB . GLN A 1 152 ? -16.094 -6.435 -6.407 1.00 86.21 152 A 1 ATOM 1178 C CG . GLN A 1 152 ? -15.948 -5.282 -5.395 1.00 80.51 152 A 1 ATOM 1179 C CD . GLN A 1 152 ? -15.743 -3.931 -6.078 1.00 76.45 152 A 1 ATOM 1180 O OE1 . GLN A 1 152 ? -15.677 -3.797 -7.288 1.00 70.37 152 A 1 ATOM 1181 N NE2 . GLN A 1 152 ? -15.648 -2.861 -5.321 1.00 67.83 152 A 1 ATOM 1182 N N . GLY A 1 153 ? -15.838 -9.379 -7.580 1.00 85.39 153 A 1 ATOM 1183 C CA . GLY A 1 153 ? -16.155 -10.447 -8.532 1.00 85.64 153 A 1 ATOM 1184 C C . GLY A 1 153 ? -16.584 -11.734 -7.826 1.00 86.05 153 A 1 ATOM 1185 O O . GLY A 1 153 ? -17.676 -12.244 -8.077 1.00 80.73 153 A 1 ATOM 1186 N N . GLY A 1 154 ? -15.787 -12.200 -6.857 1.00 81.20 154 A 1 ATOM 1187 C CA . GLY A 1 154 ? -16.089 -13.412 -6.091 1.00 80.03 154 A 1 ATOM 1188 C C . GLY A 1 154 ? -17.403 -13.328 -5.306 1.00 81.44 154 A 1 ATOM 1189 O O . GLY A 1 154 ? -18.167 -14.294 -5.260 1.00 78.19 154 A 1 ATOM 1190 N N . LEU A 1 155 ? -17.727 -12.165 -4.739 1.00 74.07 155 A 1 ATOM 1191 C CA . LEU A 1 155 ? -19.013 -11.954 -4.068 1.00 73.38 155 A 1 ATOM 1192 C C . LEU A 1 155 ? -20.189 -12.028 -5.055 1.00 74.95 155 A 1 ATOM 1193 O O . LEU A 1 155 ? -21.219 -12.633 -4.748 1.00 74.12 155 A 1 ATOM 1194 C CB . LEU A 1 155 ? -18.978 -10.602 -3.326 1.00 72.02 155 A 1 ATOM 1195 C CG . LEU A 1 155 ? -20.250 -10.309 -2.505 1.00 64.00 155 A 1 ATOM 1196 C CD1 . LEU A 1 155 ? -20.464 -11.319 -1.377 1.00 60.72 155 A 1 ATOM 1197 C CD2 . LEU A 1 155 ? -20.155 -8.913 -1.890 1.00 60.83 155 A 1 ATOM 1198 N N . SER A 1 156 ? -20.035 -11.445 -6.243 1.00 77.64 156 A 1 ATOM 1199 C CA . SER A 1 156 ? -21.063 -11.454 -7.290 1.00 78.43 156 A 1 ATOM 1200 C C . SER A 1 156 ? -21.347 -12.877 -7.784 1.00 79.17 156 A 1 ATOM 1201 O O . SER A 1 156 ? -22.510 -13.291 -7.829 1.00 79.06 156 A 1 ATOM 1202 C CB . SER A 1 156 ? -20.645 -10.548 -8.451 1.00 78.70 156 A 1 ATOM 1203 O OG . SER A 1 156 ? -20.457 -9.221 -7.985 1.00 70.43 156 A 1 ATOM 1204 N N . GLU A 1 157 ? -20.303 -13.668 -8.042 1.00 75.35 157 A 1 ATOM 1205 C CA . GLU A 1 157 ? -20.410 -15.076 -8.440 1.00 77.81 157 A 1 ATOM 1206 C C . GLU A 1 157 ? -21.103 -15.932 -7.365 1.00 78.44 157 A 1 ATOM 1207 O O . GLU A 1 157 ? -22.006 -16.718 -7.666 1.00 77.39 157 A 1 ATOM 1208 C CB . GLU A 1 157 ? -19.011 -15.645 -8.714 1.00 79.91 157 A 1 ATOM 1209 C CG . GLU A 1 157 ? -18.375 -15.087 -10.001 1.00 74.04 157 A 1 ATOM 1210 C CD . GLU A 1 157 ? -16.959 -15.636 -10.256 1.00 70.12 157 A 1 ATOM 1211 O OE1 . GLU A 1 157 ? -16.353 -15.207 -11.259 1.00 61.99 157 A 1 ATOM 1212 O OE2 . GLU A 1 157 ? -16.499 -16.494 -9.463 1.00 66.14 157 A 1 ATOM 1213 N N . LEU A 1 158 ? -20.752 -15.748 -6.092 1.00 77.05 158 A 1 ATOM 1214 C CA . LEU A 1 158 ? -21.401 -16.443 -4.976 1.00 75.02 158 A 1 ATOM 1215 C C . LEU A 1 158 ? -22.892 -16.092 -4.863 1.00 75.19 158 A 1 ATOM 1216 O O . LEU A 1 158 ? -23.726 -16.970 -4.618 1.00 77.68 158 A 1 ATOM 1217 C CB . LEU A 1 158 ? -20.672 -16.104 -3.662 1.00 76.72 158 A 1 ATOM 1218 C CG . LEU A 1 158 ? -19.315 -16.811 -3.478 1.00 68.31 158 A 1 ATOM 1219 C CD1 . LEU A 1 158 ? -18.610 -16.229 -2.250 1.00 62.99 158 A 1 ATOM 1220 C CD2 . LEU A 1 158 ? -19.479 -18.317 -3.260 1.00 65.20 158 A 1 ATOM 1221 N N . MET A 1 159 ? -23.252 -14.825 -5.065 1.00 72.32 159 A 1 ATOM 1222 C CA . MET A 1 159 ? -24.648 -14.383 -5.056 1.00 71.61 159 A 1 ATOM 1223 C C . MET A 1 159 ? -25.447 -14.961 -6.233 1.00 72.64 159 A 1 ATOM 1224 O O . MET A 1 159 ? -26.601 -15.358 -6.049 1.00 74.68 159 A 1 ATOM 1225 C CB . MET A 1 159 ? -24.723 -12.853 -5.070 1.00 72.10 159 A 1 ATOM 1226 C CG . MET A 1 159 ? -24.318 -12.230 -3.729 1.00 67.03 159 A 1 ATOM 1227 S SD . MET A 1 159 ? -24.450 -10.424 -3.694 1.00 60.53 159 A 1 ATOM 1228 C CE . MET A 1 159 ? -26.243 -10.200 -3.623 1.00 53.01 159 A 1 ATOM 1229 N N . GLU A 1 160 ? -24.858 -15.039 -7.420 1.00 70.02 160 A 1 ATOM 1230 C CA . GLU A 1 160 ? -25.482 -15.672 -8.584 1.00 73.54 160 A 1 ATOM 1231 C C . GLU A 1 160 ? -25.667 -17.179 -8.382 1.00 72.87 160 A 1 ATOM 1232 O O . GLU A 1 160 ? -26.772 -17.696 -8.586 1.00 74.76 160 A 1 ATOM 1233 C CB . GLU A 1 160 ? -24.675 -15.402 -9.859 1.00 76.59 160 A 1 ATOM 1234 C CG . GLU A 1 160 ? -24.871 -13.957 -10.343 1.00 67.73 160 A 1 ATOM 1235 C CD . GLU A 1 160 ? -24.342 -13.725 -11.765 1.00 62.57 160 A 1 ATOM 1236 O OE1 . GLU A 1 160 ? -24.755 -12.690 -12.336 1.00 56.59 160 A 1 ATOM 1237 O OE2 . GLU A 1 160 ? -23.625 -14.600 -12.290 1.00 59.12 160 A 1 ATOM 1238 N N . ALA A 1 161 ? -24.644 -17.876 -7.885 1.00 83.36 161 A 1 ATOM 1239 C CA . ALA A 1 161 ? -24.723 -19.297 -7.558 1.00 81.82 161 A 1 ATOM 1240 C C . ALA A 1 161 ? -25.820 -19.578 -6.511 1.00 82.11 161 A 1 ATOM 1241 O O . ALA A 1 161 ? -26.661 -20.459 -6.703 1.00 81.09 161 A 1 ATOM 1242 C CB . ALA A 1 161 ? -23.339 -19.765 -7.084 1.00 83.26 161 A 1 ATOM 1243 N N . ALA A 1 162 ? -25.897 -18.777 -5.449 1.00 80.60 162 A 1 ATOM 1244 C CA . ALA A 1 162 ? -26.935 -18.898 -4.426 1.00 77.97 162 A 1 ATOM 1245 C C . ALA A 1 162 ? -28.353 -18.660 -4.989 1.00 78.36 162 A 1 ATOM 1246 O O . ALA A 1 162 ? -29.299 -19.366 -4.626 1.00 77.64 162 A 1 ATOM 1247 C CB . ALA A 1 162 ? -26.611 -17.922 -3.285 1.00 78.99 162 A 1 ATOM 1248 N N . ARG A 1 163 ? -28.519 -17.703 -5.911 1.00 76.86 163 A 1 ATOM 1249 C CA . ARG A 1 163 ? -29.791 -17.471 -6.617 1.00 76.81 163 A 1 ATOM 1250 C C . ARG A 1 163 ? -30.157 -18.633 -7.547 1.00 77.38 163 A 1 ATOM 1251 O O . ARG A 1 163 ? -31.333 -18.992 -7.622 1.00 76.13 163 A 1 ATOM 1252 C CB . ARG A 1 163 ? -29.720 -16.162 -7.413 1.00 78.51 163 A 1 ATOM 1253 C CG . ARG A 1 163 ? -29.808 -14.914 -6.519 1.00 73.31 163 A 1 ATOM 1254 C CD . ARG A 1 163 ? -29.554 -13.666 -7.369 1.00 69.81 163 A 1 ATOM 1255 N NE . ARG A 1 163 ? -29.566 -12.425 -6.572 1.00 62.27 163 A 1 ATOM 1256 C CZ . ARG A 1 163 ? -29.298 -11.208 -7.021 1.00 55.73 163 A 1 ATOM 1257 N NH1 . ARG A 1 163 ? -29.030 -10.978 -8.278 1.00 50.79 163 A 1 ATOM 1258 N NH2 . ARG A 1 163 ? -29.284 -10.188 -6.208 1.00 49.36 163 A 1 ATOM 1259 N N . GLY A 1 164 ? -29.175 -19.232 -8.223 1.00 79.53 164 A 1 ATOM 1260 C CA . GLY A 1 164 ? -29.352 -20.408 -9.075 1.00 80.93 164 A 1 ATOM 1261 C C . GLY A 1 164 ? -29.839 -21.628 -8.292 1.00 81.28 164 A 1 ATOM 1262 O O . GLY A 1 164 ? -30.850 -22.232 -8.655 1.00 77.48 164 A 1 ATOM 1263 N N . VAL A 1 165 ? -29.205 -21.930 -7.156 1.00 75.51 165 A 1 ATOM 1264 C CA . VAL A 1 165 ? -29.607 -23.029 -6.255 1.00 75.79 165 A 1 ATOM 1265 C C . VAL A 1 165 ? -31.034 -22.824 -5.735 1.00 75.56 165 A 1 ATOM 1266 O O . VAL A 1 165 ? -31.846 -23.748 -5.756 1.00 72.08 165 A 1 ATOM 1267 C CB . VAL A 1 165 ? -28.604 -23.175 -5.091 1.00 75.36 165 A 1 ATOM 1268 C CG1 . VAL A 1 165 ? -29.060 -24.209 -4.054 1.00 68.54 165 A 1 ATOM 1269 C CG2 . VAL A 1 165 ? -27.232 -23.634 -5.608 1.00 71.53 165 A 1 ATOM 1270 N N . LYS A 1 166 ? -31.386 -21.607 -5.340 1.00 71.87 166 A 1 ATOM 1271 C CA . LYS A 1 166 ? -32.727 -21.282 -4.830 1.00 72.22 166 A 1 ATOM 1272 C C . LYS A 1 166 ? -33.830 -21.431 -5.893 1.00 70.68 166 A 1 ATOM 1273 O O . LYS A 1 166 ? -34.957 -21.762 -5.547 1.00 70.77 166 A 1 ATOM 1274 C CB . LYS A 1 166 ? -32.692 -19.874 -4.216 1.00 72.52 166 A 1 ATOM 1275 C CG . LYS A 1 166 ? -33.732 -19.703 -3.103 1.00 64.53 166 A 1 ATOM 1276 C CD . LYS A 1 166 ? -33.602 -18.320 -2.455 1.00 61.99 166 A 1 ATOM 1277 C CE . LYS A 1 166 ? -34.521 -18.226 -1.237 1.00 55.22 166 A 1 ATOM 1278 N NZ . LYS A 1 166 ? -34.433 -16.899 -0.577 1.00 48.50 166 A 1 ATOM 1279 N N . ARG A 1 167 ? -33.521 -21.207 -7.174 1.00 67.69 167 A 1 ATOM 1280 C CA . ARG A 1 167 ? -34.450 -21.473 -8.289 1.00 71.55 167 A 1 ATOM 1281 C C . ARG A 1 167 ? -34.600 -22.967 -8.584 1.00 70.06 167 A 1 ATOM 1282 O O . ARG A 1 167 ? -35.700 -23.395 -8.894 1.00 65.64 167 A 1 ATOM 1283 C CB . ARG A 1 167 ? -34.009 -20.724 -9.555 1.00 71.76 167 A 1 ATOM 1284 C CG . ARG A 1 167 ? -34.369 -19.236 -9.501 1.00 66.00 167 A 1 ATOM 1285 C CD . ARG A 1 167 ? -33.916 -18.558 -10.800 1.00 62.81 167 A 1 ATOM 1286 N NE . ARG A 1 167 ? -34.242 -17.120 -10.821 1.00 54.79 167 A 1 ATOM 1287 C CZ . ARG A 1 167 ? -33.852 -16.250 -11.738 1.00 50.26 167 A 1 ATOM 1288 N NH1 . ARG A 1 167 ? -33.124 -16.606 -12.763 1.00 44.78 167 A 1 ATOM 1289 N NH2 . ARG A 1 167 ? -34.179 -14.990 -11.644 1.00 43.29 167 A 1 ATOM 1290 N N . ALA A 1 168 ? -33.526 -23.746 -8.456 1.00 71.65 168 A 1 ATOM 1291 C CA . ALA A 1 168 ? -33.550 -25.192 -8.690 1.00 72.94 168 A 1 ATOM 1292 C C . ALA A 1 168 ? -34.290 -25.982 -7.589 1.00 73.04 168 A 1 ATOM 1293 O O . ALA A 1 168 ? -34.778 -27.077 -7.845 1.00 68.76 168 A 1 ATOM 1294 C CB . ALA A 1 168 ? -32.101 -25.669 -8.842 1.00 74.06 168 A 1 ATOM 1295 N N . THR A 1 169 ? -34.402 -25.443 -6.372 1.00 68.69 169 A 1 ATOM 1296 C CA . THR A 1 169 ? -35.124 -26.072 -5.246 1.00 70.77 169 A 1 ATOM 1297 C C . THR A 1 169 ? -36.608 -25.698 -5.150 1.00 70.74 169 A 1 ATOM 1298 O O . THR A 1 169 ? -37.307 -26.207 -4.277 1.00 67.88 169 A 1 ATOM 1299 C CB . THR A 1 169 ? -34.433 -25.776 -3.901 1.00 68.71 169 A 1 ATOM 1300 O OG1 . THR A 1 169 ? -33.972 -24.444 -3.836 1.00 61.65 169 A 1 ATOM 1301 C CG2 . THR A 1 169 ? -33.217 -26.673 -3.679 1.00 60.39 169 A 1 ATOM 1302 N N . LEU A 1 170 ? -37.093 -24.800 -6.012 1.00 60.96 170 A 1 ATOM 1303 C CA . LEU A 1 170 ? -38.499 -24.363 -6.060 1.00 64.72 170 A 1 ATOM 1304 C C . LEU A 1 170 ? -39.315 -25.034 -7.191 1.00 64.60 170 A 1 ATOM 1305 O O . LEU A 1 170 ? -40.467 -24.656 -7.396 1.00 60.61 170 A 1 ATOM 1306 C CB . LEU A 1 170 ? -38.546 -22.823 -6.127 1.00 64.23 170 A 1 ATOM 1307 C CG . LEU A 1 170 ? -38.340 -22.135 -4.765 1.00 57.77 170 A 1 ATOM 1308 C CD1 . LEU A 1 170 ? -38.019 -20.652 -4.964 1.00 54.99 170 A 1 ATOM 1309 C CD2 . LEU A 1 170 ? -39.590 -22.217 -3.887 1.00 56.61 170 A 1 ATOM 1310 N N . HIS A 1 171 ? -38.729 -26.010 -7.887 1.00 71.09 171 A 1 ATOM 1311 C CA . HIS A 1 171 ? -39.376 -26.890 -8.870 1.00 71.63 171 A 1 ATOM 1312 C C . HIS A 1 171 ? -39.309 -28.341 -8.384 1.00 65.46 171 A 1 ATOM 1313 O O . HIS A 1 171 ? -40.258 -29.091 -8.707 1.00 59.75 171 A 1 ATOM 1314 C CB . HIS A 1 171 ? -38.678 -26.737 -10.230 1.00 67.42 171 A 1 ATOM 1315 C CG . HIS A 1 171 ? -39.067 -25.473 -10.959 1.00 62.24 171 A 1 ATOM 1316 N ND1 . HIS A 1 171 ? -40.321 -25.209 -11.450 1.00 57.00 171 A 1 ATOM 1317 C CD2 . HIS A 1 171 ? -38.273 -24.405 -11.267 1.00 54.63 171 A 1 ATOM 1318 C CE1 . HIS A 1 171 ? -40.290 -24.014 -12.048 1.00 55.89 171 A 1 ATOM 1319 N NE2 . HIS A 1 171 ? -39.058 -23.479 -11.972 1.00 61.00 171 A 1 ATOM 1320 O OXT . HIS A 1 171 ? -38.309 -28.664 -7.720 1.00 56.00 171 A 1 #