# 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_acriia16 # _entry.id acriia16 # 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" "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 GLY 2 1 n TYR 3 1 n ILE 4 1 n GLY 5 1 n THR 6 1 n LYS 7 1 n ARG 8 1 n SER 9 1 n GLU 10 1 n ARG 11 1 n SER 12 1 n GLN 13 1 n ASP 14 1 n ALA 15 1 n ILE 16 1 n GLU 17 1 n ASP 18 1 n TYR 19 1 n GLU 20 1 n VAL 21 1 n PRO 22 1 n LEU 23 1 n ASN 24 1 n HIS 25 1 n PHE 26 1 n ASN 27 1 n LYS 28 1 n ASP 29 1 n LEU 30 1 n ILE 31 1 n GLN 32 1 n ALA 33 1 n PHE 34 1 n ILE 35 1 n ASP 36 1 n GLU 37 1 n ASN 38 1 n GLU 39 1 n ALA 40 1 n TYR 41 1 n ASP 42 1 n THR 43 1 n LEU 44 1 n LYS 45 1 n THR 46 1 n LYS 47 1 n LYS 48 1 n VAL 49 1 n ARG 50 1 n LEU 51 1 n TRP 52 1 n LYS 53 1 n PHE 54 1 n VAL 55 1 n ALA 56 1 n PRO 57 1 n ARG 58 1 n ALA 59 1 n GLY 60 1 n ALA 61 1 n THR 62 1 n SER 63 1 n TRP 64 1 n HIS 65 1 n HIS 66 1 n THR 67 1 n GLY 68 1 n THR 69 1 n TYR 70 1 n TYR 71 1 n ASN 72 1 n LYS 73 1 n THR 74 1 n ASP 75 1 n HIS 76 1 n TYR 77 1 n SER 78 1 n LEU 79 1 n GLU 80 1 n LYS 81 1 n VAL 82 1 n ALA 83 1 n ASP 84 1 n GLU 85 1 n LEU 86 1 n LEU 87 1 n GLN 88 1 n ASN 89 1 n GLY 90 1 n ASP 91 1 n GLU 92 1 n TRP 93 1 n GLU 94 1 n GLU 95 1 n GLN 96 1 n PHE 97 1 n LYS 98 1 n ALA 99 1 n TYR 100 1 n VAL 101 1 n LYS 102 1 n GLU 103 1 n GLU 104 1 n GLN 105 1 n GLU 106 1 n THR 107 1 n ALA 108 1 n THR 109 1 n SER 110 1 n GLU 111 1 n PRO 112 1 n VAL 113 1 n PHE 114 1 n LEU 115 1 n SER 116 1 n VAL 117 1 n ILE 118 1 n LYS 119 1 n VAL 120 1 n GLN 121 1 n ILE 122 1 n TRP 123 1 n GLY 124 1 n GLY 125 1 n SER 126 1 n MET 127 1 n LYS 128 1 n ARG 129 1 n PRO 130 1 n LYS 131 1 n LEU 132 1 n VAL 133 1 n GLY 134 1 n HIS 135 1 n GLU 136 1 n VAL 137 1 n VAL 138 1 n MET 139 1 n GLY 140 1 n VAL 141 1 n LYS 142 1 n LYS 143 1 n GLU 144 1 n GLY 145 1 n TRP 146 1 n LEU 147 1 n HIS 148 1 n ALA 149 1 n VAL 150 1 n SER 151 1 n LYS 152 1 n ALA 153 1 n THR 154 1 n GLN 155 1 n SER 156 1 n LYS 157 1 n TYR 158 1 n LYS 159 1 n LEU 160 1 n SER 161 1 n ALA 162 1 n ASN 163 1 n LYS 164 1 n VAL 165 1 n GLU 166 1 n MET 167 1 n GLN 168 1 n LYS 169 1 n HIS 170 1 n TYR 171 1 n SER 172 1 n LEU 173 1 n GLU 174 1 n ASP 175 1 n TYR 176 1 n SER 177 1 n ALA 178 1 n LEU 179 1 n THR 180 1 n LYS 181 1 n ASP 182 1 n PHE 183 1 n PRO 184 1 n GLU 185 1 n PHE 186 1 n LYS 187 1 n ALA 188 1 n GLN 189 1 n LYS 190 1 n ARG 191 1 n ALA 192 1 n ILE 193 1 n ASN 194 1 n LYS 195 1 n LYS 196 1 n MET 197 1 n LYS 198 1 n GLU 199 1 n MET 200 1 n TYR 201 1 n ASN 202 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-06 19:47:02)" _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 86.69 _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 48.42 1 1 A GLY 2 2 59.69 1 2 A TYR 3 2 53.87 1 3 A ILE 4 2 57.85 1 4 A GLY 5 2 57.02 1 5 A THR 6 2 50.97 1 6 A LYS 7 2 54.00 1 7 A ARG 8 2 63.36 1 8 A SER 9 2 66.63 1 9 A GLU 10 2 64.15 1 10 A ARG 11 2 63.25 1 11 A SER 12 2 68.93 1 12 A GLN 13 2 67.97 1 13 A ASP 14 2 68.31 1 14 A ALA 15 2 73.24 1 15 A ILE 16 2 72.32 1 16 A GLU 17 2 72.43 1 17 A ASP 18 2 81.17 1 18 A TYR 19 2 91.69 1 19 A GLU 20 2 87.53 1 20 A VAL 21 2 92.78 1 21 A PRO 22 2 92.70 1 22 A LEU 23 2 92.84 1 23 A ASN 24 2 88.26 1 24 A HIS 25 2 87.60 1 25 A PHE 26 2 95.17 1 26 A ASN 27 2 93.83 1 27 A LYS 28 2 88.43 1 28 A ASP 29 2 92.59 1 29 A LEU 30 2 94.28 1 30 A ILE 31 2 96.74 1 31 A GLN 32 2 86.43 1 32 A ALA 33 2 95.63 1 33 A PHE 34 2 95.79 1 34 A ILE 35 2 96.22 1 35 A ASP 36 2 94.24 1 36 A GLU 37 2 90.21 1 37 A ASN 38 2 91.67 1 38 A GLU 39 2 87.50 1 39 A ALA 40 2 96.31 1 40 A TYR 41 2 96.37 1 41 A ASP 42 2 91.40 1 42 A THR 43 2 94.52 1 43 A LEU 44 2 96.63 1 44 A LYS 45 2 89.68 1 45 A THR 46 2 93.69 1 46 A LYS 47 2 93.46 1 47 A LYS 48 2 88.42 1 48 A VAL 49 2 96.71 1 49 A ARG 50 2 86.93 1 50 A LEU 51 2 96.68 1 51 A TRP 52 2 98.08 1 52 A LYS 53 2 95.08 1 53 A PHE 54 2 97.12 1 54 A VAL 55 2 97.58 1 55 A ALA 56 2 97.78 1 56 A PRO 57 2 96.97 1 57 A ARG 58 2 93.28 1 58 A ALA 59 2 96.03 1 59 A GLY 60 2 96.33 1 60 A ALA 61 2 95.56 1 61 A THR 62 2 91.79 1 62 A SER 63 2 90.84 1 63 A TRP 64 2 85.50 1 64 A HIS 65 2 82.35 1 65 A HIS 66 2 76.43 1 66 A THR 67 2 78.04 1 67 A GLY 68 2 75.42 1 68 A THR 69 2 73.14 1 69 A TYR 70 2 71.05 1 70 A TYR 71 2 72.74 1 71 A ASN 72 2 78.19 1 72 A LYS 73 2 84.24 1 73 A THR 74 2 88.76 1 74 A ASP 75 2 93.13 1 75 A HIS 76 2 89.42 1 76 A TYR 77 2 95.43 1 77 A SER 78 2 96.16 1 78 A LEU 79 2 95.48 1 79 A GLU 80 2 91.79 1 80 A LYS 81 2 93.68 1 81 A VAL 82 2 97.62 1 82 A ALA 83 2 98.09 1 83 A ASP 84 2 96.03 1 84 A GLU 85 2 92.65 1 85 A LEU 86 2 97.37 1 86 A LEU 87 2 94.72 1 87 A GLN 88 2 90.14 1 88 A ASN 89 2 94.95 1 89 A GLY 90 2 96.08 1 90 A ASP 91 2 94.53 1 91 A GLU 92 2 89.85 1 92 A TRP 93 2 96.76 1 93 A GLU 94 2 91.94 1 94 A GLU 95 2 89.18 1 95 A GLN 96 2 93.87 1 96 A PHE 97 2 95.58 1 97 A LYS 98 2 88.68 1 98 A ALA 99 2 95.58 1 99 A TYR 100 2 92.67 1 100 A VAL 101 2 89.26 1 101 A LYS 102 2 80.68 1 102 A GLU 103 2 79.03 1 103 A GLU 104 2 73.60 1 104 A GLN 105 2 71.77 1 105 A GLU 106 2 70.83 1 106 A THR 107 2 69.67 1 107 A ALA 108 2 64.95 1 108 A THR 109 2 58.96 1 109 A SER 110 2 60.30 1 110 A GLU 111 2 57.73 1 111 A PRO 112 2 68.42 1 112 A VAL 113 2 68.96 1 113 A PHE 114 2 74.44 1 114 A LEU 115 2 90.46 1 115 A SER 116 2 93.27 1 116 A VAL 117 2 95.73 1 117 A ILE 118 2 95.33 1 118 A LYS 119 2 93.13 1 119 A VAL 120 2 93.25 1 120 A GLN 121 2 93.76 1 121 A ILE 122 2 92.34 1 122 A TRP 123 2 91.18 1 123 A GLY 124 2 94.16 1 124 A GLY 125 2 93.53 1 125 A SER 126 2 92.28 1 126 A MET 127 2 83.70 1 127 A LYS 128 2 85.96 1 128 A ARG 129 2 84.23 1 129 A PRO 130 2 93.62 1 130 A LYS 131 2 86.68 1 131 A LEU 132 2 94.04 1 132 A VAL 133 2 92.86 1 133 A GLY 134 2 96.51 1 134 A HIS 135 2 92.18 1 135 A GLU 136 2 91.32 1 136 A VAL 137 2 96.30 1 137 A VAL 138 2 96.48 1 138 A MET 139 2 93.66 1 139 A GLY 140 2 96.39 1 140 A VAL 141 2 93.70 1 141 A LYS 142 2 87.17 1 142 A LYS 143 2 81.90 1 143 A GLU 144 2 77.31 1 144 A GLY 145 2 89.38 1 145 A TRP 146 2 91.75 1 146 A LEU 147 2 94.31 1 147 A HIS 148 2 91.84 1 148 A ALA 149 2 96.63 1 149 A VAL 150 2 95.96 1 150 A SER 151 2 95.87 1 151 A LYS 152 2 85.18 1 152 A ALA 153 2 94.83 1 153 A THR 154 2 91.46 1 154 A GLN 155 2 90.61 1 155 A SER 156 2 94.33 1 156 A LYS 157 2 89.46 1 157 A TYR 158 2 95.79 1 158 A LYS 159 2 89.44 1 159 A LEU 160 2 92.16 1 160 A SER 161 2 92.79 1 161 A ALA 162 2 92.80 1 162 A ASN 163 2 86.40 1 163 A LYS 164 2 87.55 1 164 A VAL 165 2 91.49 1 165 A GLU 166 2 89.15 1 166 A MET 167 2 89.08 1 167 A GLN 168 2 89.17 1 168 A LYS 169 2 87.83 1 169 A HIS 170 2 87.91 1 170 A TYR 171 2 90.66 1 171 A SER 172 2 86.73 1 172 A LEU 173 2 82.32 1 173 A GLU 174 2 78.15 1 174 A ASP 175 2 84.86 1 175 A TYR 176 2 91.00 1 176 A SER 177 2 91.84 1 177 A ALA 178 2 94.87 1 178 A LEU 179 2 94.52 1 179 A THR 180 2 92.99 1 180 A LYS 181 2 87.58 1 181 A ASP 182 2 94.86 1 182 A PHE 183 2 95.82 1 183 A PRO 184 2 96.22 1 184 A GLU 185 2 90.20 1 185 A PHE 186 2 94.89 1 186 A LYS 187 2 82.99 1 187 A ALA 188 2 91.41 1 188 A GLN 189 2 89.53 1 189 A LYS 190 2 86.21 1 190 A ARG 191 2 79.67 1 191 A ALA 192 2 94.31 1 192 A ILE 193 2 92.53 1 193 A ASN 194 2 87.12 1 194 A LYS 195 2 85.78 1 195 A LYS 196 2 89.11 1 196 A MET 197 2 83.21 1 197 A LYS 198 2 76.97 1 198 A GLU 199 2 82.77 1 199 A MET 200 2 80.44 1 200 A TYR 201 2 73.76 1 201 A ASN 202 2 67.57 1 202 # _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 GLY . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n GLU . 10 A 10 A 11 1 n ARG . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n GLN . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n GLU . 17 A 17 A 18 1 n ASP . 18 A 18 A 19 1 n TYR . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n ASN . 24 A 24 A 25 1 n HIS . 25 A 25 A 26 1 n PHE . 26 A 26 A 27 1 n ASN . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n ASP . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n GLN . 32 A 32 A 33 1 n ALA . 33 A 33 A 34 1 n PHE . 34 A 34 A 35 1 n ILE . 35 A 35 A 36 1 n ASP . 36 A 36 A 37 1 n GLU . 37 A 37 A 38 1 n ASN . 38 A 38 A 39 1 n GLU . 39 A 39 A 40 1 n ALA . 40 A 40 A 41 1 n TYR . 41 A 41 A 42 1 n ASP . 42 A 42 A 43 1 n THR . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n LYS . 45 A 45 A 46 1 n THR . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n LYS . 48 A 48 A 49 1 n VAL . 49 A 49 A 50 1 n ARG . 50 A 50 A 51 1 n LEU . 51 A 51 A 52 1 n TRP . 52 A 52 A 53 1 n LYS . 53 A 53 A 54 1 n PHE . 54 A 54 A 55 1 n VAL . 55 A 55 A 56 1 n ALA . 56 A 56 A 57 1 n PRO . 57 A 57 A 58 1 n ARG . 58 A 58 A 59 1 n ALA . 59 A 59 A 60 1 n GLY . 60 A 60 A 61 1 n ALA . 61 A 61 A 62 1 n THR . 62 A 62 A 63 1 n SER . 63 A 63 A 64 1 n TRP . 64 A 64 A 65 1 n HIS . 65 A 65 A 66 1 n HIS . 66 A 66 A 67 1 n THR . 67 A 67 A 68 1 n GLY . 68 A 68 A 69 1 n THR . 69 A 69 A 70 1 n TYR . 70 A 70 A 71 1 n TYR . 71 A 71 A 72 1 n ASN . 72 A 72 A 73 1 n LYS . 73 A 73 A 74 1 n THR . 74 A 74 A 75 1 n ASP . 75 A 75 A 76 1 n HIS . 76 A 76 A 77 1 n TYR . 77 A 77 A 78 1 n SER . 78 A 78 A 79 1 n LEU . 79 A 79 A 80 1 n GLU . 80 A 80 A 81 1 n LYS . 81 A 81 A 82 1 n VAL . 82 A 82 A 83 1 n ALA . 83 A 83 A 84 1 n ASP . 84 A 84 A 85 1 n GLU . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n LEU . 87 A 87 A 88 1 n GLN . 88 A 88 A 89 1 n ASN . 89 A 89 A 90 1 n GLY . 90 A 90 A 91 1 n ASP . 91 A 91 A 92 1 n GLU . 92 A 92 A 93 1 n TRP . 93 A 93 A 94 1 n GLU . 94 A 94 A 95 1 n GLU . 95 A 95 A 96 1 n GLN . 96 A 96 A 97 1 n PHE . 97 A 97 A 98 1 n LYS . 98 A 98 A 99 1 n ALA . 99 A 99 A 100 1 n TYR . 100 A 100 A 101 1 n VAL . 101 A 101 A 102 1 n LYS . 102 A 102 A 103 1 n GLU . 103 A 103 A 104 1 n GLU . 104 A 104 A 105 1 n GLN . 105 A 105 A 106 1 n GLU . 106 A 106 A 107 1 n THR . 107 A 107 A 108 1 n ALA . 108 A 108 A 109 1 n THR . 109 A 109 A 110 1 n SER . 110 A 110 A 111 1 n GLU . 111 A 111 A 112 1 n PRO . 112 A 112 A 113 1 n VAL . 113 A 113 A 114 1 n PHE . 114 A 114 A 115 1 n LEU . 115 A 115 A 116 1 n SER . 116 A 116 A 117 1 n VAL . 117 A 117 A 118 1 n ILE . 118 A 118 A 119 1 n LYS . 119 A 119 A 120 1 n VAL . 120 A 120 A 121 1 n GLN . 121 A 121 A 122 1 n ILE . 122 A 122 A 123 1 n TRP . 123 A 123 A 124 1 n GLY . 124 A 124 A 125 1 n GLY . 125 A 125 A 126 1 n SER . 126 A 126 A 127 1 n MET . 127 A 127 A 128 1 n LYS . 128 A 128 A 129 1 n ARG . 129 A 129 A 130 1 n PRO . 130 A 130 A 131 1 n LYS . 131 A 131 A 132 1 n LEU . 132 A 132 A 133 1 n VAL . 133 A 133 A 134 1 n GLY . 134 A 134 A 135 1 n HIS . 135 A 135 A 136 1 n GLU . 136 A 136 A 137 1 n VAL . 137 A 137 A 138 1 n VAL . 138 A 138 A 139 1 n MET . 139 A 139 A 140 1 n GLY . 140 A 140 A 141 1 n VAL . 141 A 141 A 142 1 n LYS . 142 A 142 A 143 1 n LYS . 143 A 143 A 144 1 n GLU . 144 A 144 A 145 1 n GLY . 145 A 145 A 146 1 n TRP . 146 A 146 A 147 1 n LEU . 147 A 147 A 148 1 n HIS . 148 A 148 A 149 1 n ALA . 149 A 149 A 150 1 n VAL . 150 A 150 A 151 1 n SER . 151 A 151 A 152 1 n LYS . 152 A 152 A 153 1 n ALA . 153 A 153 A 154 1 n THR . 154 A 154 A 155 1 n GLN . 155 A 155 A 156 1 n SER . 156 A 156 A 157 1 n LYS . 157 A 157 A 158 1 n TYR . 158 A 158 A 159 1 n LYS . 159 A 159 A 160 1 n LEU . 160 A 160 A 161 1 n SER . 161 A 161 A 162 1 n ALA . 162 A 162 A 163 1 n ASN . 163 A 163 A 164 1 n LYS . 164 A 164 A 165 1 n VAL . 165 A 165 A 166 1 n GLU . 166 A 166 A 167 1 n MET . 167 A 167 A 168 1 n GLN . 168 A 168 A 169 1 n LYS . 169 A 169 A 170 1 n HIS . 170 A 170 A 171 1 n TYR . 171 A 171 A 172 1 n SER . 172 A 172 A 173 1 n LEU . 173 A 173 A 174 1 n GLU . 174 A 174 A 175 1 n ASP . 175 A 175 A 176 1 n TYR . 176 A 176 A 177 1 n SER . 177 A 177 A 178 1 n ALA . 178 A 178 A 179 1 n LEU . 179 A 179 A 180 1 n THR . 180 A 180 A 181 1 n LYS . 181 A 181 A 182 1 n ASP . 182 A 182 A 183 1 n PHE . 183 A 183 A 184 1 n PRO . 184 A 184 A 185 1 n GLU . 185 A 185 A 186 1 n PHE . 186 A 186 A 187 1 n LYS . 187 A 187 A 188 1 n ALA . 188 A 188 A 189 1 n GLN . 189 A 189 A 190 1 n LYS . 190 A 190 A 191 1 n ARG . 191 A 191 A 192 1 n ALA . 192 A 192 A 193 1 n ILE . 193 A 193 A 194 1 n ASN . 194 A 194 A 195 1 n LYS . 195 A 195 A 196 1 n LYS . 196 A 196 A 197 1 n MET . 197 A 197 A 198 1 n LYS . 198 A 198 A 199 1 n GLU . 199 A 199 A 200 1 n MET . 200 A 200 A 201 1 n TYR . 201 A 201 A 202 1 n ASN . 202 A 202 # _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 ? 35.738 -8.461 2.638 1.00 44.85 1 A 1 ATOM 2 C CA . MET A 1 1 ? 34.484 -7.673 2.564 1.00 53.69 1 A 1 ATOM 3 C C . MET A 1 1 ? 33.995 -7.503 3.988 1.00 55.98 1 A 1 ATOM 4 O O . MET A 1 1 ? 33.667 -8.515 4.603 1.00 51.85 1 A 1 ATOM 5 C CB . MET A 1 1 ? 33.397 -8.361 1.717 1.00 52.53 1 A 1 ATOM 6 C CG . MET A 1 1 ? 33.611 -8.143 0.215 1.00 46.34 1 A 1 ATOM 7 S SD . MET A 1 1 ? 32.369 -8.994 -0.800 1.00 43.95 1 A 1 ATOM 8 C CE . MET A 1 1 ? 32.907 -8.505 -2.463 1.00 38.14 1 A 1 ATOM 9 N N . GLY A 1 2 ? 34.066 -6.297 4.497 1.00 55.08 2 A 1 ATOM 10 C CA . GLY A 1 2 ? 33.642 -5.971 5.855 1.00 61.26 2 A 1 ATOM 11 C C . GLY A 1 2 ? 32.144 -5.668 5.919 1.00 63.32 2 A 1 ATOM 12 O O . GLY A 1 2 ? 31.524 -5.257 4.936 1.00 59.08 2 A 1 ATOM 13 N N . TYR A 1 3 ? 31.554 -5.919 7.068 1.00 56.18 3 A 1 ATOM 14 C CA . TYR A 1 3 ? 30.178 -5.571 7.420 1.00 60.47 3 A 1 ATOM 15 C C . TYR A 1 3 ? 30.184 -4.663 8.647 1.00 58.91 3 A 1 ATOM 16 O O . TYR A 1 3 ? 30.884 -4.938 9.622 1.00 56.60 3 A 1 ATOM 17 C CB . TYR A 1 3 ? 29.331 -6.829 7.681 1.00 56.90 3 A 1 ATOM 18 C CG . TYR A 1 3 ? 28.620 -7.356 6.448 1.00 54.58 3 A 1 ATOM 19 C CD1 . TYR A 1 3 ? 27.240 -7.126 6.280 1.00 53.34 3 A 1 ATOM 20 C CD2 . TYR A 1 3 ? 29.344 -8.036 5.445 1.00 51.58 3 A 1 ATOM 21 C CE1 . TYR A 1 3 ? 26.587 -7.552 5.107 1.00 48.52 3 A 1 ATOM 22 C CE2 . TYR A 1 3 ? 28.697 -8.452 4.265 1.00 50.04 3 A 1 ATOM 23 C CZ . TYR A 1 3 ? 27.317 -8.202 4.092 1.00 49.38 3 A 1 ATOM 24 O OH . TYR A 1 3 ? 26.701 -8.560 2.936 1.00 49.89 3 A 1 ATOM 25 N N . ILE A 1 4 ? 29.374 -3.627 8.622 1.00 59.44 4 A 1 ATOM 26 C CA . ILE A 1 4 ? 29.134 -2.771 9.787 1.00 62.00 4 A 1 ATOM 27 C C . ILE A 1 4 ? 28.009 -3.401 10.604 1.00 61.79 4 A 1 ATOM 28 O O . ILE A 1 4 ? 26.819 -3.371 10.249 1.00 56.34 4 A 1 ATOM 29 C CB . ILE A 1 4 ? 28.891 -1.306 9.376 1.00 59.55 4 A 1 ATOM 30 C CG1 . ILE A 1 4 ? 30.136 -0.804 8.603 1.00 55.80 4 A 1 ATOM 31 C CG2 . ILE A 1 4 ? 28.631 -0.448 10.631 1.00 55.38 4 A 1 ATOM 32 C CD1 . ILE A 1 4 ? 30.070 0.662 8.193 1.00 52.51 4 A 1 ATOM 33 N N . GLY A 1 5 ? 28.410 -4.061 11.686 1.00 54.93 5 A 1 ATOM 34 C CA . GLY A 1 5 ? 27.537 -4.946 12.447 1.00 57.54 5 A 1 ATOM 35 C C . GLY A 1 5 ? 26.987 -6.081 11.566 1.00 59.43 5 A 1 ATOM 36 O O . GLY A 1 5 ? 27.703 -6.677 10.770 1.00 56.18 5 A 1 ATOM 37 N N . THR A 1 6 ? 25.696 -6.384 11.695 1.00 53.01 6 A 1 ATOM 38 C CA . THR A 1 6 ? 25.002 -7.418 10.898 1.00 54.25 6 A 1 ATOM 39 C C . THR A 1 6 ? 24.040 -6.833 9.859 1.00 56.53 6 A 1 ATOM 40 O O . THR A 1 6 ? 23.240 -7.559 9.277 1.00 52.03 6 A 1 ATOM 41 C CB . THR A 1 6 ? 24.264 -8.411 11.814 1.00 49.05 6 A 1 ATOM 42 O OG1 . THR A 1 6 ? 23.376 -7.716 12.659 1.00 45.81 6 A 1 ATOM 43 C CG2 . THR A 1 6 ? 25.219 -9.203 12.706 1.00 46.10 6 A 1 ATOM 44 N N . LYS A 1 7 ? 24.054 -5.508 9.650 1.00 58.85 7 A 1 ATOM 45 C CA . LYS A 1 7 ? 22.972 -4.809 8.933 1.00 61.37 7 A 1 ATOM 46 C C . LYS A 1 7 ? 23.303 -4.393 7.502 1.00 63.23 7 A 1 ATOM 47 O O . LYS A 1 7 ? 22.376 -4.311 6.698 1.00 58.48 7 A 1 ATOM 48 C CB . LYS A 1 7 ? 22.494 -3.598 9.748 1.00 56.37 7 A 1 ATOM 49 C CG . LYS A 1 7 ? 21.809 -4.002 11.064 1.00 52.23 7 A 1 ATOM 50 C CD . LYS A 1 7 ? 21.246 -2.761 11.776 1.00 49.91 7 A 1 ATOM 51 C CE . LYS A 1 7 ? 20.578 -3.153 13.101 1.00 44.86 7 A 1 ATOM 52 N NZ . LYS A 1 7 ? 20.066 -1.955 13.820 1.00 40.66 7 A 1 ATOM 53 N N . ARG A 1 8 ? 24.572 -4.111 7.170 1.00 67.82 8 A 1 ATOM 54 C CA . ARG A 1 8 ? 24.971 -3.647 5.828 1.00 70.44 8 A 1 ATOM 55 C C . ARG A 1 8 ? 26.461 -3.865 5.560 1.00 72.07 8 A 1 ATOM 56 O O . ARG A 1 8 ? 27.243 -3.959 6.503 1.00 68.97 8 A 1 ATOM 57 C CB . ARG A 1 8 ? 24.585 -2.171 5.640 1.00 67.18 8 A 1 ATOM 58 C CG . ARG A 1 8 ? 25.364 -1.192 6.538 1.00 64.24 8 A 1 ATOM 59 C CD . ARG A 1 8 ? 24.827 0.238 6.435 1.00 63.19 8 A 1 ATOM 60 N NE . ARG A 1 8 ? 23.516 0.377 7.107 1.00 59.31 8 A 1 ATOM 61 C CZ . ARG A 1 8 ? 22.903 1.528 7.355 1.00 56.77 8 A 1 ATOM 62 N NH1 . ARG A 1 8 ? 23.416 2.669 7.000 1.00 53.64 8 A 1 ATOM 63 N NH2 . ARG A 1 8 ? 21.762 1.549 7.974 1.00 53.34 8 A 1 ATOM 64 N N . SER A 1 9 ? 26.842 -3.941 4.278 1.00 67.55 9 A 1 ATOM 65 C CA . SER A 1 9 ? 28.252 -3.973 3.869 1.00 68.15 9 A 1 ATOM 66 C C . SER A 1 9 ? 28.927 -2.611 4.084 1.00 69.57 9 A 1 ATOM 67 O O . SER A 1 9 ? 28.247 -1.588 4.030 1.00 69.43 9 A 1 ATOM 68 C CB . SER A 1 9 ? 28.381 -4.409 2.404 1.00 65.26 9 A 1 ATOM 69 O OG . SER A 1 9 ? 27.721 -3.512 1.525 1.00 59.81 9 A 1 ATOM 70 N N . GLU A 1 10 ? 30.260 -2.590 4.254 1.00 65.48 10 A 1 ATOM 71 C CA . GLU A 1 10 ? 31.060 -1.349 4.315 1.00 69.67 10 A 1 ATOM 72 C C . GLU A 1 10 ? 30.794 -0.461 3.092 1.00 71.54 10 A 1 ATOM 73 O O . GLU A 1 10 ? 30.359 0.672 3.248 1.00 68.56 10 A 1 ATOM 74 C CB . GLU A 1 10 ? 32.555 -1.698 4.416 1.00 67.92 10 A 1 ATOM 75 C CG . GLU A 1 10 ? 32.945 -2.128 5.841 1.00 62.72 10 A 1 ATOM 76 C CD . GLU A 1 10 ? 34.319 -2.813 5.935 1.00 59.27 10 A 1 ATOM 77 O OE1 . GLU A 1 10 ? 34.639 -3.297 7.042 1.00 55.37 10 A 1 ATOM 78 O OE2 . GLU A 1 10 ? 34.959 -3.058 4.885 1.00 56.81 10 A 1 ATOM 79 N N . ARG A 1 11 ? 30.849 -1.026 1.884 1.00 70.76 11 A 1 ATOM 80 C CA . ARG A 1 11 ? 30.531 -0.300 0.638 1.00 72.44 11 A 1 ATOM 81 C C . ARG A 1 11 ? 29.141 0.345 0.624 1.00 73.85 11 A 1 ATOM 82 O O . ARG A 1 11 ? 28.950 1.373 -0.001 1.00 70.59 11 A 1 ATOM 83 C CB . ARG A 1 11 ? 30.624 -1.248 -0.559 1.00 70.36 11 A 1 ATOM 84 C CG . ARG A 1 11 ? 32.051 -1.748 -0.807 1.00 67.60 11 A 1 ATOM 85 C CD . ARG A 1 11 ? 32.040 -2.630 -2.061 1.00 63.14 11 A 1 ATOM 86 N NE . ARG A 1 11 ? 33.391 -3.105 -2.380 1.00 57.17 11 A 1 ATOM 87 C CZ . ARG A 1 11 ? 33.716 -3.897 -3.386 1.00 52.18 11 A 1 ATOM 88 N NH1 . ARG A 1 11 ? 32.813 -4.392 -4.192 1.00 50.57 11 A 1 ATOM 89 N NH2 . ARG A 1 11 ? 34.967 -4.199 -3.600 1.00 47.04 11 A 1 ATOM 90 N N . SER A 1 12 ? 28.155 -0.289 1.264 1.00 72.22 12 A 1 ATOM 91 C CA . SER A 1 12 ? 26.822 0.313 1.394 1.00 69.63 12 A 1 ATOM 92 C C . SER A 1 12 ? 26.819 1.484 2.372 1.00 70.46 12 A 1 ATOM 93 O O . SER A 1 12 ? 25.945 2.335 2.257 1.00 70.81 12 A 1 ATOM 94 C CB . SER A 1 12 ? 25.802 -0.727 1.861 1.00 68.10 12 A 1 ATOM 95 O OG . SER A 1 12 ? 24.508 -0.172 2.048 1.00 62.38 12 A 1 ATOM 96 N N . GLN A 1 13 ? 27.702 1.477 3.364 1.00 71.25 13 A 1 ATOM 97 C CA . GLN A 1 13 ? 27.851 2.591 4.292 1.00 72.96 13 A 1 ATOM 98 C C . GLN A 1 13 ? 28.552 3.762 3.602 1.00 75.09 13 A 1 ATOM 99 O O . GLN A 1 13 ? 28.014 4.860 3.653 1.00 72.94 13 A 1 ATOM 100 C CB . GLN A 1 13 ? 28.582 2.114 5.552 1.00 71.46 13 A 1 ATOM 101 C CG . GLN A 1 13 ? 28.728 3.225 6.592 1.00 67.92 13 A 1 ATOM 102 C CD . GLN A 1 13 ? 27.401 3.764 7.108 1.00 63.69 13 A 1 ATOM 103 O OE1 . GLN A 1 13 ? 26.406 3.060 7.285 1.00 60.19 13 A 1 ATOM 104 N NE2 . GLN A 1 13 ? 27.351 5.044 7.389 1.00 56.27 13 A 1 ATOM 105 N N . ASP A 1 14 ? 29.644 3.490 2.881 1.00 70.31 14 A 1 ATOM 106 C CA . ASP A 1 14 ? 30.377 4.494 2.101 1.00 71.57 14 A 1 ATOM 107 C C . ASP A 1 14 ? 29.427 5.187 1.104 1.00 71.31 14 A 1 ATOM 108 O O . ASP A 1 14 ? 29.291 6.405 1.106 1.00 68.30 14 A 1 ATOM 109 C CB . ASP A 1 14 ? 31.553 3.830 1.352 1.00 71.01 14 A 1 ATOM 110 C CG . ASP A 1 14 ? 32.532 3.009 2.217 1.00 67.40 14 A 1 ATOM 111 O OD1 . ASP A 1 14 ? 32.618 3.241 3.441 1.00 63.22 14 A 1 ATOM 112 O OD2 . ASP A 1 14 ? 33.131 2.060 1.647 1.00 63.38 14 A 1 ATOM 113 N N . ALA A 1 15 ? 28.641 4.402 0.355 1.00 74.51 15 A 1 ATOM 114 C CA . ALA A 1 15 ? 27.636 4.945 -0.564 1.00 72.04 15 A 1 ATOM 115 C C . ALA A 1 15 ? 26.589 5.838 0.137 1.00 74.27 15 A 1 ATOM 116 O O . ALA A 1 15 ? 26.142 6.833 -0.425 1.00 75.04 15 A 1 ATOM 117 C CB . ALA A 1 15 ? 26.962 3.765 -1.281 1.00 70.32 15 A 1 ATOM 118 N N . ILE A 1 16 ? 26.172 5.483 1.361 1.00 74.22 16 A 1 ATOM 119 C CA . ILE A 1 16 ? 25.219 6.305 2.129 1.00 73.85 16 A 1 ATOM 120 C C . ILE A 1 16 ? 25.856 7.627 2.575 1.00 77.47 16 A 1 ATOM 121 O O . ILE A 1 16 ? 25.156 8.639 2.607 1.00 78.72 16 A 1 ATOM 122 C CB . ILE A 1 16 ? 24.647 5.504 3.322 1.00 72.09 16 A 1 ATOM 123 C CG1 . ILE A 1 16 ? 23.655 4.438 2.794 1.00 69.36 16 A 1 ATOM 124 C CG2 . ILE A 1 16 ? 23.930 6.401 4.354 1.00 67.76 16 A 1 ATOM 125 C CD1 . ILE A 1 16 ? 23.284 3.368 3.831 1.00 65.08 16 A 1 ATOM 126 N N . GLU A 1 17 ? 27.132 7.611 2.932 1.00 76.84 17 A 1 ATOM 127 C CA . GLU A 1 17 ? 27.898 8.811 3.293 1.00 78.79 17 A 1 ATOM 128 C C . GLU A 1 17 ? 28.078 9.745 2.084 1.00 81.07 17 A 1 ATOM 129 O O . GLU A 1 17 ? 27.963 10.955 2.240 1.00 78.12 17 A 1 ATOM 130 C CB . GLU A 1 17 ? 29.235 8.395 3.941 1.00 76.91 17 A 1 ATOM 131 C CG . GLU A 1 17 ? 28.983 7.792 5.337 1.00 72.41 17 A 1 ATOM 132 C CD . GLU A 1 17 ? 30.200 7.167 6.041 1.00 66.18 17 A 1 ATOM 133 O OE1 . GLU A 1 17 ? 29.933 6.418 7.023 1.00 60.96 17 A 1 ATOM 134 O OE2 . GLU A 1 17 ? 31.363 7.424 5.651 1.00 60.62 17 A 1 ATOM 135 N N . ASP A 1 18 ? 28.173 9.174 0.881 1.00 85.51 18 A 1 ATOM 136 C CA . ASP A 1 18 ? 28.188 9.893 -0.401 1.00 87.11 18 A 1 ATOM 137 C C . ASP A 1 18 ? 26.774 10.210 -0.952 1.00 89.50 18 A 1 ATOM 138 O O . ASP A 1 18 ? 26.587 10.420 -2.154 1.00 87.03 18 A 1 ATOM 139 C CB . ASP A 1 18 ? 29.024 9.088 -1.416 1.00 83.94 18 A 1 ATOM 140 C CG . ASP A 1 18 ? 30.517 8.985 -1.072 1.00 76.36 18 A 1 ATOM 141 O OD1 . ASP A 1 18 ? 31.045 9.879 -0.375 1.00 70.60 18 A 1 ATOM 142 O OD2 . ASP A 1 18 ? 31.142 8.021 -1.570 1.00 69.34 18 A 1 ATOM 143 N N . TYR A 1 19 ? 25.744 10.196 -0.102 1.00 90.99 19 A 1 ATOM 144 C CA . TYR A 1 19 ? 24.344 10.448 -0.488 1.00 93.15 19 A 1 ATOM 145 C C . TYR A 1 19 ? 23.786 9.504 -1.569 1.00 94.64 19 A 1 ATOM 146 O O . TYR A 1 19 ? 22.816 9.837 -2.267 1.00 93.43 19 A 1 ATOM 147 C CB . TYR A 1 19 ? 24.144 11.931 -0.830 1.00 93.00 19 A 1 ATOM 148 C CG . TYR A 1 19 ? 24.381 12.871 0.328 1.00 93.44 19 A 1 ATOM 149 C CD1 . TYR A 1 19 ? 23.362 13.062 1.281 1.00 89.87 19 A 1 ATOM 150 C CD2 . TYR A 1 19 ? 25.600 13.564 0.454 1.00 90.44 19 A 1 ATOM 151 C CE1 . TYR A 1 19 ? 23.548 13.965 2.344 1.00 89.39 19 A 1 ATOM 152 C CE2 . TYR A 1 19 ? 25.789 14.466 1.519 1.00 89.73 19 A 1 ATOM 153 C CZ . TYR A 1 19 ? 24.760 14.671 2.463 1.00 91.96 19 A 1 ATOM 154 O OH . TYR A 1 19 ? 24.917 15.555 3.485 1.00 90.24 19 A 1 ATOM 155 N N . GLU A 1 20 ? 24.336 8.297 -1.687 1.00 93.25 20 A 1 ATOM 156 C CA . GLU A 1 20 ? 23.818 7.222 -2.527 1.00 93.46 20 A 1 ATOM 157 C C . GLU A 1 20 ? 23.054 6.207 -1.667 1.00 92.95 20 A 1 ATOM 158 O O . GLU A 1 20 ? 23.622 5.322 -1.030 1.00 90.21 20 A 1 ATOM 159 C CB . GLU A 1 20 ? 24.961 6.594 -3.331 1.00 92.18 20 A 1 ATOM 160 C CG . GLU A 1 20 ? 24.379 5.608 -4.344 1.00 85.36 20 A 1 ATOM 161 C CD . GLU A 1 20 ? 25.422 4.821 -5.136 1.00 85.85 20 A 1 ATOM 162 O OE1 . GLU A 1 20 ? 25.011 4.265 -6.177 1.00 76.60 20 A 1 ATOM 163 O OE2 . GLU A 1 20 ? 26.561 4.638 -4.684 1.00 77.93 20 A 1 ATOM 164 N N . VAL A 1 21 ? 21.743 6.323 -1.627 1.00 94.24 21 A 1 ATOM 165 C CA . VAL A 1 21 ? 20.916 5.627 -0.633 1.00 93.77 21 A 1 ATOM 166 C C . VAL A 1 21 ? 19.773 4.810 -1.248 1.00 93.78 21 A 1 ATOM 167 O O . VAL A 1 21 ? 19.293 5.111 -2.343 1.00 93.55 21 A 1 ATOM 168 C CB . VAL A 1 21 ? 20.379 6.605 0.430 1.00 93.37 21 A 1 ATOM 169 C CG1 . VAL A 1 21 ? 21.506 7.328 1.171 1.00 90.64 21 A 1 ATOM 170 C CG2 . VAL A 1 21 ? 19.418 7.654 -0.141 1.00 90.10 21 A 1 ATOM 171 N N . PRO A 1 22 ? 19.252 3.797 -0.532 1.00 94.38 22 A 1 ATOM 172 C CA . PRO A 1 22 ? 18.010 3.140 -0.918 1.00 93.78 22 A 1 ATOM 173 C C . PRO A 1 22 ? 16.837 4.129 -0.969 1.00 94.83 22 A 1 ATOM 174 O O . PRO A 1 22 ? 16.718 5.030 -0.136 1.00 94.38 22 A 1 ATOM 175 C CB . PRO A 1 22 ? 17.757 2.054 0.132 1.00 91.50 22 A 1 ATOM 176 C CG . PRO A 1 22 ? 19.129 1.809 0.752 1.00 88.42 22 A 1 ATOM 177 C CD . PRO A 1 22 ? 19.800 3.172 0.659 1.00 91.63 22 A 1 ATOM 178 N N . LEU A 1 23 ? 15.882 3.901 -1.866 1.00 94.83 23 A 1 ATOM 179 C CA . LEU A 1 23 ? 14.730 4.797 -2.075 1.00 95.50 23 A 1 ATOM 180 C C . LEU A 1 23 ? 13.900 5.063 -0.797 1.00 95.87 23 A 1 ATOM 181 O O . LEU A 1 23 ? 13.292 6.126 -0.640 1.00 94.88 23 A 1 ATOM 182 C CB . LEU A 1 23 ? 13.848 4.170 -3.173 1.00 94.82 23 A 1 ATOM 183 C CG . LEU A 1 23 ? 12.682 5.061 -3.640 1.00 91.32 23 A 1 ATOM 184 C CD1 . LEU A 1 23 ? 13.178 6.322 -4.345 1.00 87.61 23 A 1 ATOM 185 C CD2 . LEU A 1 23 ? 11.791 4.283 -4.609 1.00 87.91 23 A 1 ATOM 186 N N . ASN A 1 24 ? 13.856 4.105 0.125 1.00 94.62 24 A 1 ATOM 187 C CA . ASN A 1 24 ? 13.154 4.261 1.400 1.00 93.10 24 A 1 ATOM 188 C C . ASN A 1 24 ? 13.854 5.232 2.371 1.00 94.01 24 A 1 ATOM 189 O O . ASN A 1 24 ? 13.186 5.730 3.277 1.00 92.47 24 A 1 ATOM 190 C CB . ASN A 1 24 ? 12.904 2.878 2.039 1.00 90.98 24 A 1 ATOM 191 C CG . ASN A 1 24 ? 14.177 2.156 2.449 1.00 85.37 24 A 1 ATOM 192 O OD1 . ASN A 1 24 ? 15.242 2.377 1.919 1.00 77.65 24 A 1 ATOM 193 N ND2 . ASN A 1 24 ? 14.110 1.249 3.387 1.00 77.89 24 A 1 ATOM 194 N N . HIS A 1 25 ? 15.144 5.527 2.162 1.00 93.43 25 A 1 ATOM 195 C CA . HIS A 1 25 ? 15.904 6.497 2.954 1.00 93.51 25 A 1 ATOM 196 C C . HIS A 1 25 ? 15.663 7.941 2.510 1.00 94.96 25 A 1 ATOM 197 O O . HIS A 1 25 ? 15.905 8.852 3.294 1.00 94.36 25 A 1 ATOM 198 C CB . HIS A 1 25 ? 17.403 6.157 2.910 1.00 92.08 25 A 1 ATOM 199 C CG . HIS A 1 25 ? 17.804 4.958 3.739 1.00 89.63 25 A 1 ATOM 200 N ND1 . HIS A 1 25 ? 19.072 4.731 4.242 1.00 78.30 25 A 1 ATOM 201 C CD2 . HIS A 1 25 ? 17.023 3.918 4.174 1.00 78.43 25 A 1 ATOM 202 C CE1 . HIS A 1 25 ? 19.049 3.590 4.948 1.00 79.23 25 A 1 ATOM 203 N NE2 . HIS A 1 25 ? 17.819 3.056 4.939 1.00 82.08 25 A 1 ATOM 204 N N . PHE A 1 26 ? 15.147 8.170 1.301 1.00 95.09 26 A 1 ATOM 205 C CA . PHE A 1 26 ? 14.805 9.516 0.837 1.00 96.09 26 A 1 ATOM 206 C C . PHE A 1 26 ? 13.788 10.151 1.789 1.00 96.17 26 A 1 ATOM 207 O O . PHE A 1 26 ? 12.624 9.740 1.860 1.00 94.63 26 A 1 ATOM 208 C CB . PHE A 1 26 ? 14.257 9.494 -0.595 1.00 96.42 26 A 1 ATOM 209 C CG . PHE A 1 26 ? 15.266 9.337 -1.718 1.00 96.98 26 A 1 ATOM 210 C CD1 . PHE A 1 26 ? 16.293 8.379 -1.669 1.00 94.07 26 A 1 ATOM 211 C CD2 . PHE A 1 26 ? 15.146 10.156 -2.859 1.00 94.00 26 A 1 ATOM 212 C CE1 . PHE A 1 26 ? 17.199 8.246 -2.737 1.00 93.23 26 A 1 ATOM 213 C CE2 . PHE A 1 26 ? 16.047 10.017 -3.931 1.00 93.71 26 A 1 ATOM 214 C CZ . PHE A 1 26 ? 17.077 9.066 -3.873 1.00 96.43 26 A 1 ATOM 215 N N . ASN A 1 27 ? 14.234 11.157 2.526 1.00 96.37 27 A 1 ATOM 216 C CA . ASN A 1 27 ? 13.430 11.943 3.448 1.00 96.11 27 A 1 ATOM 217 C C . ASN A 1 27 ? 13.867 13.410 3.391 1.00 96.76 27 A 1 ATOM 218 O O . ASN A 1 27 ? 14.835 13.753 2.714 1.00 96.58 27 A 1 ATOM 219 C CB . ASN A 1 27 ? 13.507 11.316 4.852 1.00 95.12 27 A 1 ATOM 220 C CG . ASN A 1 27 ? 14.898 11.397 5.446 1.00 93.92 27 A 1 ATOM 221 O OD1 . ASN A 1 27 ? 15.412 12.470 5.694 1.00 88.55 27 A 1 ATOM 222 N ND2 . ASN A 1 27 ? 15.549 10.290 5.692 1.00 87.19 27 A 1 ATOM 223 N N . LYS A 1 28 ? 13.110 14.283 4.052 1.00 96.54 28 A 1 ATOM 224 C CA . LYS A 1 28 ? 13.345 15.726 3.997 1.00 96.34 28 A 1 ATOM 225 C C . LYS A 1 28 ? 14.726 16.099 4.535 1.00 96.78 28 A 1 ATOM 226 O O . LYS A 1 28 ? 15.398 16.892 3.900 1.00 96.24 28 A 1 ATOM 227 C CB . LYS A 1 28 ? 12.220 16.458 4.745 1.00 95.51 28 A 1 ATOM 228 C CG . LYS A 1 28 ? 12.328 17.974 4.529 1.00 88.74 28 A 1 ATOM 229 C CD . LYS A 1 28 ? 11.253 18.743 5.307 1.00 83.53 28 A 1 ATOM 230 C CE . LYS A 1 28 ? 11.518 20.236 5.092 1.00 76.13 28 A 1 ATOM 231 N NZ . LYS A 1 28 ? 10.678 21.094 5.966 1.00 66.03 28 A 1 ATOM 232 N N . ASP A 1 29 ? 15.118 15.505 5.659 1.00 95.85 29 A 1 ATOM 233 C CA . ASP A 1 29 ? 16.348 15.873 6.360 1.00 95.70 29 A 1 ATOM 234 C C . ASP A 1 29 ? 17.585 15.472 5.545 1.00 96.17 29 A 1 ATOM 235 O O . ASP A 1 29 ? 18.497 16.274 5.386 1.00 95.47 29 A 1 ATOM 236 C CB . ASP A 1 29 ? 16.360 15.227 7.755 1.00 95.33 29 A 1 ATOM 237 C CG . ASP A 1 29 ? 15.124 15.572 8.603 1.00 91.46 29 A 1 ATOM 238 O OD1 . ASP A 1 29 ? 14.501 16.636 8.374 1.00 85.66 29 A 1 ATOM 239 O OD2 . ASP A 1 29 ? 14.736 14.709 9.426 1.00 85.08 29 A 1 ATOM 240 N N . LEU A 1 30 ? 17.580 14.272 4.938 1.00 95.83 30 A 1 ATOM 241 C CA . LEU A 1 30 ? 18.664 13.807 4.072 1.00 95.85 30 A 1 ATOM 242 C C . LEU A 1 30 ? 18.811 14.673 2.813 1.00 96.70 30 A 1 ATOM 243 O O . LEU A 1 30 ? 19.917 15.054 2.457 1.00 96.47 30 A 1 ATOM 244 C CB . LEU A 1 30 ? 18.398 12.341 3.689 1.00 95.27 30 A 1 ATOM 245 C CG . LEU A 1 30 ? 19.524 11.717 2.837 1.00 93.60 30 A 1 ATOM 246 C CD1 . LEU A 1 30 ? 20.777 11.454 3.665 1.00 90.30 30 A 1 ATOM 247 C CD2 . LEU A 1 30 ? 19.041 10.392 2.253 1.00 90.26 30 A 1 ATOM 248 N N . ILE A 1 31 ? 17.704 14.983 2.136 1.00 96.64 31 A 1 ATOM 249 C CA . ILE A 1 31 ? 17.721 15.831 0.933 1.00 97.14 31 A 1 ATOM 250 C C . ILE A 1 31 ? 18.181 17.247 1.290 1.00 97.24 31 A 1 ATOM 251 O O . ILE A 1 31 ? 18.940 17.846 0.539 1.00 97.12 31 A 1 ATOM 252 C CB . ILE A 1 31 ? 16.334 15.831 0.252 1.00 97.46 31 A 1 ATOM 253 C CG1 . ILE A 1 31 ? 16.037 14.435 -0.349 1.00 96.84 31 A 1 ATOM 254 C CG2 . ILE A 1 31 ? 16.232 16.904 -0.850 1.00 96.68 31 A 1 ATOM 255 C CD1 . ILE A 1 31 ? 14.565 14.229 -0.733 1.00 94.82 31 A 1 ATOM 256 N N . GLN A 1 32 ? 17.738 17.777 2.427 1.00 97.21 32 A 1 ATOM 257 C CA . GLN A 1 32 ? 18.150 19.104 2.880 1.00 96.65 32 A 1 ATOM 258 C C . GLN A 1 32 ? 19.647 19.147 3.201 1.00 96.87 32 A 1 ATOM 259 O O . GLN A 1 32 ? 20.317 20.052 2.728 1.00 96.66 32 A 1 ATOM 260 C CB . GLN A 1 32 ? 17.289 19.517 4.087 1.00 95.76 32 A 1 ATOM 261 C CG . GLN A 1 32 ? 17.528 20.974 4.514 1.00 83.45 32 A 1 ATOM 262 C CD . GLN A 1 32 ? 17.164 21.963 3.414 1.00 76.88 32 A 1 ATOM 263 O OE1 . GLN A 1 32 ? 16.032 22.031 2.943 1.00 69.44 32 A 1 ATOM 264 N NE2 . GLN A 1 32 ? 18.095 22.755 2.956 1.00 64.95 32 A 1 ATOM 265 N N . ALA A 1 33 ? 20.171 18.151 3.929 1.00 95.90 33 A 1 ATOM 266 C CA . ALA A 1 33 ? 21.599 18.050 4.226 1.00 95.51 33 A 1 ATOM 267 C C . ALA A 1 33 ? 22.437 17.987 2.940 1.00 96.04 33 A 1 ATOM 268 O O . ALA A 1 33 ? 23.382 18.750 2.788 1.00 95.41 33 A 1 ATOM 269 C CB . ALA A 1 33 ? 21.831 16.819 5.110 1.00 95.28 33 A 1 ATOM 270 N N . PHE A 1 34 ? 22.025 17.156 1.975 1.00 95.80 34 A 1 ATOM 271 C CA . PHE A 1 34 ? 22.668 17.077 0.661 1.00 96.03 34 A 1 ATOM 272 C C . PHE A 1 34 ? 22.688 18.431 -0.063 1.00 96.47 34 A 1 ATOM 273 O O . PHE A 1 34 ? 23.719 18.830 -0.589 1.00 96.24 34 A 1 ATOM 274 C CB . PHE A 1 34 ? 21.948 16.016 -0.181 1.00 96.44 34 A 1 ATOM 275 C CG . PHE A 1 34 ? 22.312 16.068 -1.652 1.00 96.68 34 A 1 ATOM 276 C CD1 . PHE A 1 34 ? 21.438 16.669 -2.579 1.00 94.71 34 A 1 ATOM 277 C CD2 . PHE A 1 34 ? 23.569 15.595 -2.079 1.00 95.09 34 A 1 ATOM 278 C CE1 . PHE A 1 34 ? 21.820 16.802 -3.925 1.00 94.93 34 A 1 ATOM 279 C CE2 . PHE A 1 34 ? 23.949 15.729 -3.426 1.00 95.03 34 A 1 ATOM 280 C CZ . PHE A 1 34 ? 23.078 16.336 -4.348 1.00 96.31 34 A 1 ATOM 281 N N . ILE A 1 35 ? 21.565 19.153 -0.097 1.00 97.08 35 A 1 ATOM 282 C CA . ILE A 1 35 ? 21.487 20.461 -0.765 1.00 97.06 35 A 1 ATOM 283 C C . ILE A 1 35 ? 22.321 21.515 -0.021 1.00 96.83 35 A 1 ATOM 284 O O . ILE A 1 35 ? 22.958 22.336 -0.662 1.00 96.09 35 A 1 ATOM 285 C CB . ILE A 1 35 ? 20.020 20.905 -0.926 1.00 97.10 35 A 1 ATOM 286 C CG1 . ILE A 1 35 ? 19.257 19.974 -1.897 1.00 96.06 35 A 1 ATOM 287 C CG2 . ILE A 1 35 ? 19.950 22.347 -1.467 1.00 95.78 35 A 1 ATOM 288 C CD1 . ILE A 1 35 ? 17.732 20.163 -1.856 1.00 93.79 35 A 1 ATOM 289 N N . ASP A 1 36 ? 22.333 21.491 1.311 1.00 96.66 36 A 1 ATOM 290 C CA . ASP A 1 36 ? 23.102 22.450 2.114 1.00 96.19 36 A 1 ATOM 291 C C . ASP A 1 36 ? 24.623 22.280 1.928 1.00 95.80 36 A 1 ATOM 292 O O . ASP A 1 36 ? 25.363 23.256 2.038 1.00 94.19 36 A 1 ATOM 293 C CB . ASP A 1 36 ? 22.702 22.331 3.597 1.00 95.94 36 A 1 ATOM 294 C CG . ASP A 1 36 ? 21.277 22.834 3.908 1.00 94.29 36 A 1 ATOM 295 O OD1 . ASP A 1 36 ? 20.697 23.627 3.118 1.00 90.13 36 A 1 ATOM 296 O OD2 . ASP A 1 36 ? 20.731 22.472 4.979 1.00 90.69 36 A 1 ATOM 297 N N . GLU A 1 37 ? 25.082 21.070 1.597 1.00 95.73 37 A 1 ATOM 298 C CA . GLU A 1 37 ? 26.481 20.791 1.234 1.00 94.86 37 A 1 ATOM 299 C C . GLU A 1 37 ? 26.800 21.100 -0.242 1.00 94.66 37 A 1 ATOM 300 O O . GLU A 1 37 ? 27.967 21.187 -0.620 1.00 92.05 37 A 1 ATOM 301 C CB . GLU A 1 37 ? 26.812 19.329 1.573 1.00 94.01 37 A 1 ATOM 302 C CG . GLU A 1 37 ? 26.895 19.098 3.096 1.00 90.12 37 A 1 ATOM 303 C CD . GLU A 1 37 ? 27.142 17.630 3.494 1.00 88.41 37 A 1 ATOM 304 O OE1 . GLU A 1 37 ? 26.914 17.313 4.683 1.00 80.67 37 A 1 ATOM 305 O OE2 . GLU A 1 37 ? 27.538 16.817 2.629 1.00 81.36 37 A 1 ATOM 306 N N . ASN A 1 38 ? 25.782 21.294 -1.078 1.00 96.22 38 A 1 ATOM 307 C CA . ASN A 1 38 ? 25.902 21.445 -2.528 1.00 95.45 38 A 1 ATOM 308 C C . ASN A 1 38 ? 25.088 22.648 -3.038 1.00 95.68 38 A 1 ATOM 309 O O . ASN A 1 38 ? 23.991 22.498 -3.593 1.00 93.95 38 A 1 ATOM 310 C CB . ASN A 1 38 ? 25.481 20.129 -3.202 1.00 94.55 38 A 1 ATOM 311 C CG . ASN A 1 38 ? 26.397 18.966 -2.886 1.00 91.37 38 A 1 ATOM 312 O OD1 . ASN A 1 38 ? 27.424 18.789 -3.519 1.00 82.80 38 A 1 ATOM 313 N ND2 . ASN A 1 38 ? 26.053 18.138 -1.929 1.00 83.31 38 A 1 ATOM 314 N N . GLU A 1 39 ? 25.659 23.858 -2.922 1.00 95.43 39 A 1 ATOM 315 C CA . GLU A 1 39 ? 24.992 25.126 -3.275 1.00 95.13 39 A 1 ATOM 316 C C . GLU A 1 39 ? 24.406 25.166 -4.705 1.00 95.61 39 A 1 ATOM 317 O O . GLU A 1 39 ? 23.419 25.860 -4.957 1.00 93.64 39 A 1 ATOM 318 C CB . GLU A 1 39 ? 25.986 26.299 -3.130 1.00 93.76 39 A 1 ATOM 319 C CG . GLU A 1 39 ? 26.449 26.558 -1.681 1.00 84.85 39 A 1 ATOM 320 C CD . GLU A 1 39 ? 27.369 27.790 -1.548 1.00 80.91 39 A 1 ATOM 321 O OE1 . GLU A 1 39 ? 27.721 28.134 -0.398 1.00 73.62 39 A 1 ATOM 322 O OE2 . GLU A 1 39 ? 27.726 28.397 -2.588 1.00 74.54 39 A 1 ATOM 323 N N . ALA A 1 40 ? 24.974 24.385 -5.636 1.00 96.57 40 A 1 ATOM 324 C CA . ALA A 1 40 ? 24.472 24.261 -7.007 1.00 96.57 40 A 1 ATOM 325 C C . ALA A 1 40 ? 23.001 23.798 -7.079 1.00 97.02 40 A 1 ATOM 326 O O . ALA A 1 40 ? 22.296 24.117 -8.038 1.00 95.67 40 A 1 ATOM 327 C CB . ALA A 1 40 ? 25.390 23.284 -7.759 1.00 95.70 40 A 1 ATOM 328 N N . TYR A 1 41 ? 22.526 23.083 -6.050 1.00 97.19 41 A 1 ATOM 329 C CA . TYR A 1 41 ? 21.170 22.533 -5.989 1.00 97.38 41 A 1 ATOM 330 C C . TYR A 1 41 ? 20.197 23.348 -5.121 1.00 97.44 41 A 1 ATOM 331 O O . TYR A 1 41 ? 19.073 22.900 -4.870 1.00 96.42 41 A 1 ATOM 332 C CB . TYR A 1 41 ? 21.249 21.059 -5.562 1.00 97.17 41 A 1 ATOM 333 C CG . TYR A 1 41 ? 22.170 20.199 -6.411 1.00 97.43 41 A 1 ATOM 334 C CD1 . TYR A 1 41 ? 21.946 20.055 -7.795 1.00 95.52 41 A 1 ATOM 335 C CD2 . TYR A 1 41 ? 23.267 19.543 -5.816 1.00 95.89 41 A 1 ATOM 336 C CE1 . TYR A 1 41 ? 22.818 19.272 -8.581 1.00 95.22 41 A 1 ATOM 337 C CE2 . TYR A 1 41 ? 24.139 18.759 -6.599 1.00 95.49 41 A 1 ATOM 338 C CZ . TYR A 1 41 ? 23.918 18.625 -7.984 1.00 96.20 41 A 1 ATOM 339 O OH . TYR A 1 41 ? 24.770 17.879 -8.742 1.00 95.06 41 A 1 ATOM 340 N N . ASP A 1 42 ? 20.567 24.554 -4.677 1.00 97.54 42 A 1 ATOM 341 C CA . ASP A 1 42 ? 19.768 25.384 -3.756 1.00 97.16 42 A 1 ATOM 342 C C . ASP A 1 42 ? 18.326 25.630 -4.249 1.00 97.07 42 A 1 ATOM 343 O O . ASP A 1 42 ? 17.359 25.605 -3.479 1.00 95.63 42 A 1 ATOM 344 C CB . ASP A 1 42 ? 20.498 26.719 -3.528 1.00 96.19 42 A 1 ATOM 345 C CG . ASP A 1 42 ? 19.835 27.516 -2.404 1.00 88.05 42 A 1 ATOM 346 O OD1 . ASP A 1 42 ? 19.992 27.112 -1.237 1.00 80.07 42 A 1 ATOM 347 O OD2 . ASP A 1 42 ? 19.118 28.498 -2.699 1.00 79.50 42 A 1 ATOM 348 N N . THR A 1 43 ? 18.151 25.755 -5.559 1.00 97.41 43 A 1 ATOM 349 C CA . THR A 1 43 ? 16.827 25.916 -6.189 1.00 97.10 43 A 1 ATOM 350 C C . THR A 1 43 ? 15.879 24.732 -5.937 1.00 97.13 43 A 1 ATOM 351 O O . THR A 1 43 ? 14.655 24.899 -5.986 1.00 95.67 43 A 1 ATOM 352 C CB . THR A 1 43 ? 16.968 26.137 -7.702 1.00 96.40 43 A 1 ATOM 353 O OG1 . THR A 1 43 ? 17.600 25.034 -8.309 1.00 90.04 43 A 1 ATOM 354 C CG2 . THR A 1 43 ? 17.782 27.387 -8.043 1.00 87.91 43 A 1 ATOM 355 N N . LEU A 1 44 ? 16.417 23.547 -5.610 1.00 96.99 44 A 1 ATOM 356 C CA . LEU A 1 44 ? 15.644 22.326 -5.356 1.00 97.08 44 A 1 ATOM 357 C C . LEU A 1 44 ? 15.121 22.215 -3.914 1.00 96.90 44 A 1 ATOM 358 O O . LEU A 1 44 ? 14.290 21.339 -3.646 1.00 96.20 44 A 1 ATOM 359 C CB . LEU A 1 44 ? 16.469 21.088 -5.753 1.00 97.40 44 A 1 ATOM 360 C CG . LEU A 1 44 ? 16.985 21.062 -7.206 1.00 97.09 44 A 1 ATOM 361 C CD1 . LEU A 1 44 ? 17.716 19.743 -7.450 1.00 95.64 44 A 1 ATOM 362 C CD2 . LEU A 1 44 ? 15.846 21.172 -8.231 1.00 95.73 44 A 1 ATOM 363 N N . LYS A 1 45 ? 15.507 23.116 -2.998 1.00 97.13 45 A 1 ATOM 364 C CA . LYS A 1 45 ? 15.062 23.129 -1.580 1.00 95.97 45 A 1 ATOM 365 C C . LYS A 1 45 ? 13.540 23.101 -1.415 1.00 95.63 45 A 1 ATOM 366 O O . LYS A 1 45 ? 13.010 22.556 -0.444 1.00 94.05 45 A 1 ATOM 367 C CB . LYS A 1 45 ? 15.624 24.382 -0.879 1.00 94.80 45 A 1 ATOM 368 C CG . LYS A 1 45 ? 17.080 24.177 -0.455 1.00 89.25 45 A 1 ATOM 369 C CD . LYS A 1 45 ? 17.692 25.420 0.201 1.00 86.91 45 A 1 ATOM 370 C CE . LYS A 1 45 ? 19.091 25.044 0.733 1.00 80.71 45 A 1 ATOM 371 N NZ . LYS A 1 45 ? 19.905 26.213 1.125 1.00 72.67 45 A 1 ATOM 372 N N . THR A 1 46 ? 12.823 23.684 -2.356 1.00 96.30 46 A 1 ATOM 373 C CA . THR A 1 46 ? 11.354 23.762 -2.331 1.00 95.83 46 A 1 ATOM 374 C C . THR A 1 46 ? 10.664 22.513 -2.894 1.00 96.00 46 A 1 ATOM 375 O O . THR A 1 46 ? 9.448 22.346 -2.716 1.00 94.34 46 A 1 ATOM 376 C CB . THR A 1 46 ? 10.867 25.014 -3.068 1.00 95.12 46 A 1 ATOM 377 O OG1 . THR A 1 46 ? 11.217 24.948 -4.430 1.00 90.39 46 A 1 ATOM 378 C CG2 . THR A 1 46 ? 11.451 26.307 -2.487 1.00 87.83 46 A 1 ATOM 379 N N . LYS A 1 47 ? 11.405 21.616 -3.562 1.00 96.63 47 A 1 ATOM 380 C CA . LYS A 1 47 ? 10.850 20.419 -4.198 1.00 96.53 47 A 1 ATOM 381 C C . LYS A 1 47 ? 10.431 19.394 -3.141 1.00 96.60 47 A 1 ATOM 382 O O . LYS A 1 47 ? 11.111 19.132 -2.158 1.00 95.61 47 A 1 ATOM 383 C CB . LYS A 1 47 ? 11.828 19.818 -5.224 1.00 96.77 47 A 1 ATOM 384 C CG . LYS A 1 47 ? 12.280 20.772 -6.349 1.00 95.82 47 A 1 ATOM 385 C CD . LYS A 1 47 ? 11.165 21.305 -7.270 1.00 92.98 47 A 1 ATOM 386 C CE . LYS A 1 47 ? 11.813 22.133 -8.396 1.00 89.20 47 A 1 ATOM 387 N NZ . LYS A 1 47 ? 10.855 22.747 -9.330 1.00 80.99 47 A 1 ATOM 388 N N . LYS A 1 48 ? 9.284 18.768 -3.351 1.00 96.68 48 A 1 ATOM 389 C CA . LYS A 1 48 ? 8.738 17.774 -2.419 1.00 96.42 48 A 1 ATOM 390 C C . LYS A 1 48 ? 9.548 16.476 -2.483 1.00 97.38 48 A 1 ATOM 391 O O . LYS A 1 48 ? 9.790 15.968 -3.573 1.00 96.64 48 A 1 ATOM 392 C CB . LYS A 1 48 ? 7.254 17.512 -2.725 1.00 94.63 48 A 1 ATOM 393 C CG . LYS A 1 48 ? 6.381 18.758 -2.503 1.00 89.31 48 A 1 ATOM 394 C CD . LYS A 1 48 ? 4.910 18.477 -2.842 1.00 82.99 48 A 1 ATOM 395 C CE . LYS A 1 48 ? 4.092 19.759 -2.646 1.00 75.84 48 A 1 ATOM 396 N NZ . LYS A 1 48 ? 2.677 19.597 -3.067 1.00 65.91 48 A 1 ATOM 397 N N . VAL A 1 49 ? 9.808 15.845 -1.333 1.00 97.07 49 A 1 ATOM 398 C CA . VAL A 1 49 ? 10.438 14.504 -1.234 1.00 97.46 49 A 1 ATOM 399 C C . VAL A 1 49 ? 9.784 13.478 -2.167 1.00 97.75 49 A 1 ATOM 400 O O . VAL A 1 49 ? 10.443 12.608 -2.730 1.00 97.33 49 A 1 ATOM 401 C CB . VAL A 1 49 ? 10.340 13.982 0.213 1.00 97.10 49 A 1 ATOM 402 C CG1 . VAL A 1 49 ? 10.918 12.565 0.384 1.00 95.37 49 A 1 ATOM 403 C CG2 . VAL A 1 49 ? 11.051 14.914 1.194 1.00 94.87 49 A 1 ATOM 404 N N . ARG A 1 50 ? 8.472 13.581 -2.359 1.00 97.51 50 A 1 ATOM 405 C CA . ARG A 1 50 ? 7.722 12.692 -3.248 1.00 97.28 50 A 1 ATOM 406 C C . ARG A 1 50 ? 8.159 12.807 -4.714 1.00 97.81 50 A 1 ATOM 407 O O . ARG A 1 50 ? 8.174 11.791 -5.395 1.00 97.12 50 A 1 ATOM 408 C CB . ARG A 1 50 ? 6.223 12.959 -3.061 1.00 95.88 50 A 1 ATOM 409 C CG . ARG A 1 50 ? 5.401 11.838 -3.707 1.00 89.98 50 A 1 ATOM 410 C CD . ARG A 1 50 ? 3.892 12.016 -3.507 1.00 87.26 50 A 1 ATOM 411 N NE . ARG A 1 50 ? 3.228 10.890 -4.150 1.00 80.91 50 A 1 ATOM 412 C CZ . ARG A 1 50 ? 1.954 10.605 -4.292 1.00 74.63 50 A 1 ATOM 413 N NH1 . ARG A 1 50 ? 0.961 11.348 -3.859 1.00 70.80 50 A 1 ATOM 414 N NH2 . ARG A 1 50 ? 1.652 9.513 -4.898 1.00 67.05 50 A 1 ATOM 415 N N . LEU A 1 51 ? 8.528 14.001 -5.174 1.00 96.90 51 A 1 ATOM 416 C CA . LEU A 1 51 ? 9.071 14.214 -6.524 1.00 97.50 51 A 1 ATOM 417 C C . LEU A 1 51 ? 10.451 13.548 -6.661 1.00 97.88 51 A 1 ATOM 418 O O . LEU A 1 51 ? 10.656 12.790 -7.603 1.00 97.67 51 A 1 ATOM 419 C CB . LEU A 1 51 ? 9.117 15.720 -6.826 1.00 97.55 51 A 1 ATOM 420 C CG . LEU A 1 51 ? 9.708 16.082 -8.207 1.00 96.94 51 A 1 ATOM 421 C CD1 . LEU A 1 51 ? 8.863 15.541 -9.357 1.00 94.51 51 A 1 ATOM 422 C CD2 . LEU A 1 51 ? 9.790 17.601 -8.334 1.00 94.52 51 A 1 ATOM 423 N N . TRP A 1 52 ? 11.345 13.723 -5.679 1.00 98.02 52 A 1 ATOM 424 C CA . TRP A 1 52 ? 12.644 13.035 -5.648 1.00 98.19 52 A 1 ATOM 425 C C . TRP A 1 52 ? 12.482 11.511 -5.730 1.00 98.25 52 A 1 ATOM 426 O O . TRP A 1 52 ? 13.116 10.853 -6.550 1.00 97.98 52 A 1 ATOM 427 C CB . TRP A 1 52 ? 13.394 13.416 -4.365 1.00 98.21 52 A 1 ATOM 428 C CG . TRP A 1 52 ? 13.871 14.834 -4.289 1.00 98.36 52 A 1 ATOM 429 C CD1 . TRP A 1 52 ? 13.136 15.929 -3.989 1.00 97.82 52 A 1 ATOM 430 C CD2 . TRP A 1 52 ? 15.230 15.315 -4.513 1.00 98.35 52 A 1 ATOM 431 N NE1 . TRP A 1 52 ? 13.934 17.053 -4.016 1.00 97.90 52 A 1 ATOM 432 C CE2 . TRP A 1 52 ? 15.241 16.729 -4.323 1.00 98.18 52 A 1 ATOM 433 C CE3 . TRP A 1 52 ? 16.453 14.697 -4.845 1.00 98.21 52 A 1 ATOM 434 C CZ2 . TRP A 1 52 ? 16.409 17.491 -4.457 1.00 98.04 52 A 1 ATOM 435 C CZ3 . TRP A 1 52 ? 17.630 15.455 -4.981 1.00 97.82 52 A 1 ATOM 436 C CH2 . TRP A 1 52 ? 17.612 16.850 -4.785 1.00 97.72 52 A 1 ATOM 437 N N . LYS A 1 53 ? 11.564 10.951 -4.941 1.00 97.78 53 A 1 ATOM 438 C CA . LYS A 1 53 ? 11.236 9.513 -4.978 1.00 97.52 53 A 1 ATOM 439 C C . LYS A 1 53 ? 10.616 9.061 -6.301 1.00 97.67 53 A 1 ATOM 440 O O . LYS A 1 53 ? 10.710 7.884 -6.632 1.00 97.11 53 A 1 ATOM 441 C CB . LYS A 1 53 ? 10.281 9.152 -3.832 1.00 97.03 53 A 1 ATOM 442 C CG . LYS A 1 53 ? 10.997 9.174 -2.482 1.00 96.20 53 A 1 ATOM 443 C CD . LYS A 1 53 ? 10.079 8.665 -1.356 1.00 94.36 53 A 1 ATOM 444 C CE . LYS A 1 53 ? 10.941 8.587 -0.108 1.00 91.44 53 A 1 ATOM 445 N NZ . LYS A 1 53 ? 10.285 7.993 1.064 1.00 86.65 53 A 1 ATOM 446 N N . PHE A 1 54 ? 9.950 9.946 -7.010 1.00 97.61 54 A 1 ATOM 447 C CA . PHE A 1 54 ? 9.365 9.659 -8.315 1.00 97.66 54 A 1 ATOM 448 C C . PHE A 1 54 ? 10.431 9.631 -9.417 1.00 98.00 54 A 1 ATOM 449 O O . PHE A 1 54 ? 10.395 8.740 -10.264 1.00 97.71 54 A 1 ATOM 450 C CB . PHE A 1 54 ? 8.269 10.692 -8.596 1.00 97.57 54 A 1 ATOM 451 C CG . PHE A 1 54 ? 7.669 10.602 -9.983 1.00 97.76 54 A 1 ATOM 452 C CD1 . PHE A 1 54 ? 8.183 11.395 -11.032 1.00 96.29 54 A 1 ATOM 453 C CD2 . PHE A 1 54 ? 6.587 9.737 -10.228 1.00 96.50 54 A 1 ATOM 454 C CE1 . PHE A 1 54 ? 7.615 11.322 -12.314 1.00 96.02 54 A 1 ATOM 455 C CE2 . PHE A 1 54 ? 6.020 9.668 -11.512 1.00 96.23 54 A 1 ATOM 456 C CZ . PHE A 1 54 ? 6.533 10.460 -12.555 1.00 96.98 54 A 1 ATOM 457 N N . VAL A 1 55 ? 11.394 10.554 -9.372 1.00 97.89 55 A 1 ATOM 458 C CA . VAL A 1 55 ? 12.473 10.679 -10.362 1.00 98.08 55 A 1 ATOM 459 C C . VAL A 1 55 ? 13.542 9.601 -10.173 1.00 98.05 55 A 1 ATOM 460 O O . VAL A 1 55 ? 13.925 8.965 -11.152 1.00 97.70 55 A 1 ATOM 461 C CB . VAL A 1 55 ? 13.071 12.099 -10.323 1.00 98.09 55 A 1 ATOM 462 C CG1 . VAL A 1 55 ? 14.258 12.251 -11.282 1.00 96.98 55 A 1 ATOM 463 C CG2 . VAL A 1 55 ? 12.009 13.127 -10.737 1.00 96.27 55 A 1 ATOM 464 N N . ALA A 1 56 ? 13.957 9.306 -8.936 1.00 98.11 56 A 1 ATOM 465 C CA . ALA A 1 56 ? 15.057 8.383 -8.635 1.00 97.94 56 A 1 ATOM 466 C C . ALA A 1 56 ? 15.001 7.030 -9.389 1.00 97.76 56 A 1 ATOM 467 O O . ALA A 1 56 ? 15.969 6.693 -10.069 1.00 97.34 56 A 1 ATOM 468 C CB . ALA A 1 56 ? 15.153 8.200 -7.113 1.00 97.76 56 A 1 ATOM 469 N N . PRO A 1 57 ? 13.902 6.246 -9.345 1.00 97.91 57 A 1 ATOM 470 C CA . PRO A 1 57 ? 13.845 4.971 -10.066 1.00 97.49 57 A 1 ATOM 471 C C . PRO A 1 57 ? 13.773 5.132 -11.592 1.00 97.54 57 A 1 ATOM 472 O O . PRO A 1 57 ? 14.115 4.202 -12.313 1.00 96.90 57 A 1 ATOM 473 C CB . PRO A 1 57 ? 12.605 4.260 -9.509 1.00 96.69 57 A 1 ATOM 474 C CG . PRO A 1 57 ? 11.693 5.409 -9.095 1.00 95.15 57 A 1 ATOM 475 C CD . PRO A 1 57 ? 12.677 6.460 -8.589 1.00 97.11 57 A 1 ATOM 476 N N . ARG A 1 58 ? 13.335 6.288 -12.097 1.00 97.45 58 A 1 ATOM 477 C CA . ARG A 1 58 ? 13.253 6.597 -13.533 1.00 96.95 58 A 1 ATOM 478 C C . ARG A 1 58 ? 14.601 7.044 -14.093 1.00 97.11 58 A 1 ATOM 479 O O . ARG A 1 58 ? 14.954 6.633 -15.190 1.00 95.92 58 A 1 ATOM 480 C CB . ARG A 1 58 ? 12.178 7.668 -13.770 1.00 96.42 58 A 1 ATOM 481 C CG . ARG A 1 58 ? 10.772 7.131 -13.504 1.00 95.14 58 A 1 ATOM 482 C CD . ARG A 1 58 ? 9.755 8.274 -13.510 1.00 93.58 58 A 1 ATOM 483 N NE . ARG A 1 58 ? 8.376 7.776 -13.442 1.00 92.11 58 A 1 ATOM 484 C CZ . ARG A 1 58 ? 7.758 7.250 -12.398 1.00 90.21 58 A 1 ATOM 485 N NH1 . ARG A 1 58 ? 8.329 7.136 -11.238 1.00 84.40 58 A 1 ATOM 486 N NH2 . ARG A 1 58 ? 6.533 6.820 -12.520 1.00 86.79 58 A 1 ATOM 487 N N . ALA A 1 59 ? 15.379 7.781 -13.303 1.00 96.87 59 A 1 ATOM 488 C CA . ALA A 1 59 ? 16.784 8.082 -13.575 1.00 96.30 59 A 1 ATOM 489 C C . ALA A 1 59 ? 17.672 6.818 -13.499 1.00 96.42 59 A 1 ATOM 490 O O . ALA A 1 59 ? 18.742 6.757 -14.109 1.00 94.59 59 A 1 ATOM 491 C CB . ALA A 1 59 ? 17.229 9.162 -12.574 1.00 95.95 59 A 1 ATOM 492 N N . GLY A 1 60 ? 17.203 5.780 -12.794 1.00 96.36 60 A 1 ATOM 493 C CA . GLY A 1 60 ? 17.872 4.485 -12.655 1.00 96.36 60 A 1 ATOM 494 C C . GLY A 1 60 ? 18.818 4.424 -11.457 1.00 96.87 60 A 1 ATOM 495 O O . GLY A 1 60 ? 19.440 5.418 -11.081 1.00 95.74 60 A 1 ATOM 496 N N . ALA A 1 61 ? 18.922 3.225 -10.877 1.00 95.82 61 A 1 ATOM 497 C CA . ALA A 1 61 ? 19.841 2.956 -9.777 1.00 95.96 61 A 1 ATOM 498 C C . ALA A 1 61 ? 21.294 3.193 -10.218 1.00 96.02 61 A 1 ATOM 499 O O . ALA A 1 61 ? 21.670 2.843 -11.339 1.00 94.72 61 A 1 ATOM 500 C CB . ALA A 1 61 ? 19.627 1.522 -9.278 1.00 95.26 61 A 1 ATOM 501 N N . THR A 1 62 ? 22.099 3.770 -9.339 1.00 94.11 62 A 1 ATOM 502 C CA . THR A 1 62 ? 23.529 4.022 -9.562 1.00 93.61 62 A 1 ATOM 503 C C . THR A 1 62 ? 24.381 2.866 -9.060 1.00 92.89 62 A 1 ATOM 504 O O . THR A 1 62 ? 25.397 2.546 -9.673 1.00 90.47 62 A 1 ATOM 505 C CB . THR A 1 62 ? 23.949 5.343 -8.907 1.00 93.43 62 A 1 ATOM 506 O OG1 . THR A 1 62 ? 23.379 5.458 -7.626 1.00 90.03 62 A 1 ATOM 507 C CG2 . THR A 1 62 ? 23.414 6.528 -9.706 1.00 87.99 62 A 1 ATOM 508 N N . SER A 1 63 ? 23.927 2.152 -8.030 1.00 92.30 63 A 1 ATOM 509 C CA . SER A 1 63 ? 24.537 0.909 -7.558 1.00 91.74 63 A 1 ATOM 510 C C . SER A 1 63 ? 23.520 -0.003 -6.867 1.00 92.03 63 A 1 ATOM 511 O O . SER A 1 63 ? 22.317 0.261 -6.818 1.00 91.51 63 A 1 ATOM 512 C CB . SER A 1 63 ? 25.731 1.218 -6.648 1.00 90.24 63 A 1 ATOM 513 O OG . SER A 1 63 ? 25.294 1.706 -5.404 1.00 87.21 63 A 1 ATOM 514 N N . TRP A 1 64 ? 24.021 -1.134 -6.364 1.00 91.03 64 A 1 ATOM 515 C CA . TRP A 1 64 ? 23.277 -1.997 -5.459 1.00 90.32 64 A 1 ATOM 516 C C . TRP A 1 64 ? 24.211 -2.577 -4.401 1.00 89.23 64 A 1 ATOM 517 O O . TRP A 1 64 ? 25.373 -2.881 -4.668 1.00 87.12 64 A 1 ATOM 518 C CB . TRP A 1 64 ? 22.559 -3.111 -6.236 1.00 89.24 64 A 1 ATOM 519 C CG . TRP A 1 64 ? 23.474 -4.071 -6.940 1.00 87.91 64 A 1 ATOM 520 C CD1 . TRP A 1 64 ? 23.889 -3.947 -8.216 1.00 84.60 64 A 1 ATOM 521 C CD2 . TRP A 1 64 ? 24.141 -5.264 -6.415 1.00 86.79 64 A 1 ATOM 522 N NE1 . TRP A 1 64 ? 24.771 -4.971 -8.521 1.00 82.58 64 A 1 ATOM 523 C CE2 . TRP A 1 64 ? 24.972 -5.809 -7.442 1.00 85.00 64 A 1 ATOM 524 C CE3 . TRP A 1 64 ? 24.146 -5.932 -5.174 1.00 82.65 64 A 1 ATOM 525 C CZ2 . TRP A 1 64 ? 25.774 -6.945 -7.243 1.00 82.37 64 A 1 ATOM 526 C CZ3 . TRP A 1 64 ? 24.945 -7.075 -4.958 1.00 79.50 64 A 1 ATOM 527 C CH2 . TRP A 1 64 ? 25.761 -7.581 -5.989 1.00 78.70 64 A 1 ATOM 528 N N . HIS A 1 65 ? 23.684 -2.802 -3.210 1.00 87.92 65 A 1 ATOM 529 C CA . HIS A 1 65 ? 24.439 -3.345 -2.080 1.00 86.61 65 A 1 ATOM 530 C C . HIS A 1 65 ? 23.646 -4.428 -1.357 1.00 85.98 65 A 1 ATOM 531 O O . HIS A 1 65 ? 22.415 -4.474 -1.403 1.00 83.61 65 A 1 ATOM 532 C CB . HIS A 1 65 ? 24.840 -2.205 -1.136 1.00 85.53 65 A 1 ATOM 533 C CG . HIS A 1 65 ? 25.723 -1.184 -1.801 1.00 84.79 65 A 1 ATOM 534 N ND1 . HIS A 1 65 ? 27.072 -1.323 -2.081 1.00 76.24 65 A 1 ATOM 535 C CD2 . HIS A 1 65 ? 25.316 0.026 -2.288 1.00 76.34 65 A 1 ATOM 536 C CE1 . HIS A 1 65 ? 27.459 -0.215 -2.724 1.00 78.01 65 A 1 ATOM 537 N NE2 . HIS A 1 65 ? 26.425 0.623 -2.868 1.00 78.51 65 A 1 ATOM 538 N N . HIS A 1 66 ? 24.377 -5.315 -0.665 1.00 85.33 66 A 1 ATOM 539 C CA . HIS A 1 66 ? 23.734 -6.271 0.228 1.00 84.21 66 A 1 ATOM 540 C C . HIS A 1 66 ? 23.357 -5.584 1.545 1.00 82.56 66 A 1 ATOM 541 O O . HIS A 1 66 ? 24.206 -5.007 2.227 1.00 78.85 66 A 1 ATOM 542 C CB . HIS A 1 66 ? 24.640 -7.479 0.457 1.00 81.78 66 A 1 ATOM 543 C CG . HIS A 1 66 ? 24.842 -8.313 -0.780 1.00 77.98 66 A 1 ATOM 544 N ND1 . HIS A 1 66 ? 26.025 -8.474 -1.468 1.00 69.26 66 A 1 ATOM 545 C CD2 . HIS A 1 66 ? 23.906 -9.076 -1.418 1.00 67.09 66 A 1 ATOM 546 C CE1 . HIS A 1 66 ? 25.800 -9.324 -2.489 1.00 68.17 66 A 1 ATOM 547 N NE2 . HIS A 1 66 ? 24.519 -9.718 -2.500 1.00 69.11 66 A 1 ATOM 548 N N . THR A 1 67 ? 22.083 -5.686 1.913 1.00 81.79 67 A 1 ATOM 549 C CA . THR A 1 67 ? 21.528 -5.120 3.150 1.00 80.23 67 A 1 ATOM 550 C C . THR A 1 67 ? 20.763 -6.171 3.956 1.00 78.86 67 A 1 ATOM 551 O O . THR A 1 67 ? 20.280 -7.181 3.437 1.00 74.70 67 A 1 ATOM 552 C CB . THR A 1 67 ? 20.642 -3.890 2.881 1.00 78.66 67 A 1 ATOM 553 O OG1 . THR A 1 67 ? 19.472 -4.273 2.203 1.00 76.76 67 A 1 ATOM 554 C CG2 . THR A 1 67 ? 21.345 -2.805 2.063 1.00 75.29 67 A 1 ATOM 555 N N . GLY A 1 68 ? 20.648 -5.931 5.259 1.00 76.78 68 A 1 ATOM 556 C CA . GLY A 1 68 ? 19.947 -6.805 6.198 1.00 75.45 68 A 1 ATOM 557 C C . GLY A 1 68 ? 20.695 -8.108 6.516 1.00 76.38 68 A 1 ATOM 558 O O . GLY A 1 68 ? 21.730 -8.432 5.943 1.00 73.08 68 A 1 ATOM 559 N N . THR A 1 69 ? 20.134 -8.886 7.438 1.00 74.69 69 A 1 ATOM 560 C CA . THR A 1 69 ? 20.719 -10.158 7.906 1.00 75.87 69 A 1 ATOM 561 C C . THR A 1 69 ? 20.671 -11.276 6.861 1.00 76.75 69 A 1 ATOM 562 O O . THR A 1 69 ? 21.396 -12.254 6.981 1.00 72.97 69 A 1 ATOM 563 C CB . THR A 1 69 ? 20.002 -10.644 9.173 1.00 73.57 69 A 1 ATOM 564 O OG1 . THR A 1 69 ? 18.605 -10.657 8.954 1.00 69.00 69 A 1 ATOM 565 C CG2 . THR A 1 69 ? 20.250 -9.715 10.360 1.00 69.11 69 A 1 ATOM 566 N N . TYR A 1 70 ? 19.832 -11.114 5.832 1.00 76.18 70 A 1 ATOM 567 C CA . TYR A 1 70 ? 19.632 -12.084 4.751 1.00 77.97 70 A 1 ATOM 568 C C . TYR A 1 70 ? 20.345 -11.691 3.446 1.00 79.57 70 A 1 ATOM 569 O O . TYR A 1 70 ? 20.071 -12.285 2.409 1.00 75.61 70 A 1 ATOM 570 C CB . TYR A 1 70 ? 18.129 -12.306 4.533 1.00 75.69 70 A 1 ATOM 571 C CG . TYR A 1 70 ? 17.399 -12.850 5.748 1.00 73.47 70 A 1 ATOM 572 C CD1 . TYR A 1 70 ? 17.563 -14.199 6.117 1.00 69.13 70 A 1 ATOM 573 C CD2 . TYR A 1 70 ? 16.559 -12.014 6.509 1.00 67.48 70 A 1 ATOM 574 C CE1 . TYR A 1 70 ? 16.891 -14.714 7.242 1.00 63.06 70 A 1 ATOM 575 C CE2 . TYR A 1 70 ? 15.885 -12.524 7.638 1.00 64.26 70 A 1 ATOM 576 C CZ . TYR A 1 70 ? 16.051 -13.876 8.003 1.00 65.76 70 A 1 ATOM 577 O OH . TYR A 1 70 ? 15.400 -14.375 9.091 1.00 64.43 70 A 1 ATOM 578 N N . TYR A 1 71 ? 21.236 -10.682 3.482 1.00 80.04 71 A 1 ATOM 579 C CA . TYR A 1 71 ? 22.020 -10.242 2.322 1.00 82.27 71 A 1 ATOM 580 C C . TYR A 1 71 ? 21.151 -9.876 1.102 1.00 84.28 71 A 1 ATOM 581 O O . TYR A 1 71 ? 21.489 -10.197 -0.038 1.00 80.99 71 A 1 ATOM 582 C CB . TYR A 1 71 ? 23.107 -11.280 1.997 1.00 79.23 71 A 1 ATOM 583 C CG . TYR A 1 71 ? 23.992 -11.639 3.175 1.00 75.21 71 A 1 ATOM 584 C CD1 . TYR A 1 71 ? 25.136 -10.872 3.446 1.00 69.71 71 A 1 ATOM 585 C CD2 . TYR A 1 71 ? 23.671 -12.731 4.005 1.00 67.63 71 A 1 ATOM 586 C CE1 . TYR A 1 71 ? 25.960 -11.193 4.538 1.00 62.66 71 A 1 ATOM 587 C CE2 . TYR A 1 71 ? 24.492 -13.051 5.103 1.00 63.76 71 A 1 ATOM 588 C CZ . TYR A 1 71 ? 25.640 -12.280 5.369 1.00 64.17 71 A 1 ATOM 589 O OH . TYR A 1 71 ? 26.442 -12.577 6.429 1.00 62.94 71 A 1 ATOM 590 N N . ASN A 1 72 ? 20.021 -9.207 1.328 1.00 80.97 72 A 1 ATOM 591 C CA . ASN A 1 72 ? 19.134 -8.797 0.244 1.00 82.10 72 A 1 ATOM 592 C C . ASN A 1 72 ? 19.848 -7.800 -0.672 1.00 83.66 72 A 1 ATOM 593 O O . ASN A 1 72 ? 20.420 -6.819 -0.188 1.00 82.65 72 A 1 ATOM 594 C CB . ASN A 1 72 ? 17.850 -8.183 0.814 1.00 80.37 72 A 1 ATOM 595 C CG . ASN A 1 72 ? 17.055 -9.179 1.633 1.00 76.11 72 A 1 ATOM 596 O OD1 . ASN A 1 72 ? 16.743 -10.276 1.208 1.00 70.78 72 A 1 ATOM 597 N ND2 . ASN A 1 72 ? 16.703 -8.834 2.846 1.00 68.89 72 A 1 ATOM 598 N N . LYS A 1 73 ? 19.763 -8.025 -1.992 1.00 88.53 73 A 1 ATOM 599 C CA . LYS A 1 73 ? 20.183 -7.046 -2.995 1.00 89.84 73 A 1 ATOM 600 C C . LYS A 1 73 ? 19.241 -5.841 -2.930 1.00 90.32 73 A 1 ATOM 601 O O . LYS A 1 73 ? 18.037 -5.998 -3.125 1.00 88.72 73 A 1 ATOM 602 C CB . LYS A 1 73 ? 20.207 -7.704 -4.386 1.00 89.29 73 A 1 ATOM 603 C CG . LYS A 1 73 ? 20.726 -6.719 -5.441 1.00 84.04 73 A 1 ATOM 604 C CD . LYS A 1 73 ? 20.722 -7.307 -6.860 1.00 82.63 73 A 1 ATOM 605 C CE . LYS A 1 73 ? 21.126 -6.176 -7.816 1.00 75.86 73 A 1 ATOM 606 N NZ . LYS A 1 73 ? 21.064 -6.544 -9.247 1.00 68.96 73 A 1 ATOM 607 N N . THR A 1 74 ? 19.793 -4.664 -2.642 1.00 89.77 74 A 1 ATOM 608 C CA . THR A 1 74 ? 19.037 -3.415 -2.511 1.00 90.05 74 A 1 ATOM 609 C C . THR A 1 74 ? 19.637 -2.371 -3.439 1.00 91.42 74 A 1 ATOM 610 O O . THR A 1 74 ? 20.821 -2.066 -3.312 1.00 90.74 74 A 1 ATOM 611 C CB . THR A 1 74 ? 19.064 -2.911 -1.065 1.00 88.69 74 A 1 ATOM 612 O OG1 . THR A 1 74 ? 18.592 -3.928 -0.204 1.00 85.63 74 A 1 ATOM 613 C CG2 . THR A 1 74 ? 18.171 -1.695 -0.853 1.00 85.00 74 A 1 ATOM 614 N N . ASP A 1 75 ? 18.827 -1.836 -4.349 1.00 93.14 75 A 1 ATOM 615 C CA . ASP A 1 75 ? 19.243 -0.772 -5.256 1.00 94.22 75 A 1 ATOM 616 C C . ASP A 1 75 ? 19.421 0.542 -4.486 1.00 94.55 75 A 1 ATOM 617 O O . ASP A 1 75 ? 18.635 0.869 -3.588 1.00 93.94 75 A 1 ATOM 618 C CB . ASP A 1 75 ? 18.242 -0.624 -6.413 1.00 94.46 75 A 1 ATOM 619 C CG . ASP A 1 75 ? 18.133 -1.880 -7.291 1.00 94.00 75 A 1 ATOM 620 O OD1 . ASP A 1 75 ? 19.140 -2.616 -7.436 1.00 90.10 75 A 1 ATOM 621 O OD2 . ASP A 1 75 ? 17.013 -2.141 -7.783 1.00 90.60 75 A 1 ATOM 622 N N . HIS A 1 76 ? 20.476 1.273 -4.844 1.00 93.51 76 A 1 ATOM 623 C CA . HIS A 1 76 ? 20.804 2.586 -4.311 1.00 93.80 76 A 1 ATOM 624 C C . HIS A 1 76 ? 20.727 3.625 -5.430 1.00 94.49 76 A 1 ATOM 625 O O . HIS A 1 76 ? 20.975 3.337 -6.600 1.00 93.97 76 A 1 ATOM 626 C CB . HIS A 1 76 ? 22.183 2.579 -3.639 1.00 92.59 76 A 1 ATOM 627 C CG . HIS A 1 76 ? 22.226 1.837 -2.321 1.00 91.51 76 A 1 ATOM 628 N ND1 . HIS A 1 76 ? 21.786 0.554 -2.093 1.00 82.92 76 A 1 ATOM 629 C CD2 . HIS A 1 76 ? 22.724 2.306 -1.136 1.00 82.75 76 A 1 ATOM 630 C CE1 . HIS A 1 76 ? 22.011 0.261 -0.801 1.00 83.50 76 A 1 ATOM 631 N NE2 . HIS A 1 76 ? 22.586 1.299 -0.178 1.00 85.19 76 A 1 ATOM 632 N N . TYR A 1 77 ? 20.355 4.838 -5.045 1.00 95.57 77 A 1 ATOM 633 C CA . TYR A 1 77 ? 20.123 5.967 -5.937 1.00 95.94 77 A 1 ATOM 634 C C . TYR A 1 77 ? 20.914 7.162 -5.418 1.00 96.18 77 A 1 ATOM 635 O O . TYR A 1 77 ? 20.752 7.542 -4.257 1.00 95.68 77 A 1 ATOM 636 C CB . TYR A 1 77 ? 18.627 6.283 -5.990 1.00 96.12 77 A 1 ATOM 637 C CG . TYR A 1 77 ? 17.748 5.122 -6.411 1.00 96.38 77 A 1 ATOM 638 C CD1 . TYR A 1 77 ? 17.466 4.911 -7.774 1.00 94.76 77 A 1 ATOM 639 C CD2 . TYR A 1 77 ? 17.233 4.232 -5.441 1.00 95.00 77 A 1 ATOM 640 C CE1 . TYR A 1 77 ? 16.670 3.820 -8.172 1.00 94.61 77 A 1 ATOM 641 C CE2 . TYR A 1 77 ? 16.443 3.136 -5.836 1.00 94.82 77 A 1 ATOM 642 C CZ . TYR A 1 77 ? 16.161 2.928 -7.204 1.00 95.55 77 A 1 ATOM 643 O OH . TYR A 1 77 ? 15.404 1.866 -7.591 1.00 94.58 77 A 1 ATOM 644 N N . SER A 1 78 ? 21.744 7.757 -6.268 1.00 96.89 78 A 1 ATOM 645 C CA . SER A 1 78 ? 22.498 8.969 -5.951 1.00 96.93 78 A 1 ATOM 646 C C . SER A 1 78 ? 21.563 10.177 -5.915 1.00 97.30 78 A 1 ATOM 647 O O . SER A 1 78 ? 20.818 10.411 -6.874 1.00 97.19 78 A 1 ATOM 648 C CB . SER A 1 78 ? 23.621 9.170 -6.971 1.00 96.05 78 A 1 ATOM 649 O OG . SER A 1 78 ? 24.176 10.458 -6.825 1.00 92.57 78 A 1 ATOM 650 N N . LEU A 1 79 ? 21.601 10.947 -4.815 1.00 97.04 79 A 1 ATOM 651 C CA . LEU A 1 79 ? 20.875 12.217 -4.738 1.00 97.58 79 A 1 ATOM 652 C C . LEU A 1 79 ? 21.406 13.225 -5.755 1.00 97.82 79 A 1 ATOM 653 O O . LEU A 1 79 ? 20.598 13.953 -6.320 1.00 97.65 79 A 1 ATOM 654 C CB . LEU A 1 79 ? 20.929 12.807 -3.322 1.00 97.39 79 A 1 ATOM 655 C CG . LEU A 1 79 ? 20.093 12.070 -2.262 1.00 95.47 79 A 1 ATOM 656 C CD1 . LEU A 1 79 ? 20.088 12.884 -0.966 1.00 90.71 79 A 1 ATOM 657 C CD2 . LEU A 1 79 ? 18.629 11.893 -2.667 1.00 90.19 79 A 1 ATOM 658 N N . GLU A 1 80 ? 22.708 13.222 -6.022 1.00 97.27 80 A 1 ATOM 659 C CA . GLU A 1 80 ? 23.346 14.072 -7.032 1.00 97.26 80 A 1 ATOM 660 C C . GLU A 1 80 ? 22.751 13.815 -8.421 1.00 97.53 80 A 1 ATOM 661 O O . GLU A 1 80 ? 22.207 14.729 -9.038 1.00 97.11 80 A 1 ATOM 662 C CB . GLU A 1 80 ? 24.857 13.816 -7.001 1.00 96.41 80 A 1 ATOM 663 C CG . GLU A 1 80 ? 25.630 14.745 -7.950 1.00 91.94 80 A 1 ATOM 664 C CD . GLU A 1 80 ? 27.150 14.520 -7.878 1.00 89.35 80 A 1 ATOM 665 O OE1 . GLU A 1 80 ? 27.889 15.417 -8.332 1.00 79.45 80 A 1 ATOM 666 O OE2 . GLU A 1 80 ? 27.558 13.437 -7.393 1.00 79.80 80 A 1 ATOM 667 N N . LYS A 1 81 ? 22.711 12.552 -8.863 1.00 97.64 81 A 1 ATOM 668 C CA . LYS A 1 81 ? 22.103 12.195 -10.154 1.00 97.61 81 A 1 ATOM 669 C C . LYS A 1 81 ? 20.634 12.625 -10.248 1.00 97.92 81 A 1 ATOM 670 O O . LYS A 1 81 ? 20.184 13.082 -11.292 1.00 97.58 81 A 1 ATOM 671 C CB . LYS A 1 81 ? 22.250 10.683 -10.370 1.00 97.12 81 A 1 ATOM 672 C CG . LYS A 1 81 ? 21.741 10.260 -11.754 1.00 94.95 81 A 1 ATOM 673 C CD . LYS A 1 81 ? 21.870 8.749 -11.942 1.00 92.23 81 A 1 ATOM 674 C CE . LYS A 1 81 ? 21.365 8.379 -13.336 1.00 87.76 81 A 1 ATOM 675 N NZ . LYS A 1 81 ? 21.270 6.913 -13.505 1.00 80.28 81 A 1 ATOM 676 N N . VAL A 1 82 ? 19.869 12.460 -9.164 1.00 97.87 82 A 1 ATOM 677 C CA . VAL A 1 82 ? 18.462 12.894 -9.132 1.00 98.06 82 A 1 ATOM 678 C C . VAL A 1 82 ? 18.352 14.421 -9.166 1.00 98.23 82 A 1 ATOM 679 O O . VAL A 1 82 ? 17.436 14.942 -9.800 1.00 98.08 82 A 1 ATOM 680 C CB . VAL A 1 82 ? 17.730 12.315 -7.909 1.00 97.96 82 A 1 ATOM 681 C CG1 . VAL A 1 82 ? 16.270 12.782 -7.825 1.00 96.86 82 A 1 ATOM 682 C CG2 . VAL A 1 82 ? 17.691 10.781 -7.967 1.00 96.30 82 A 1 ATOM 683 N N . ALA A 1 83 ? 19.256 15.134 -8.492 1.00 98.24 83 A 1 ATOM 684 C CA . ALA A 1 83 ? 19.305 16.589 -8.506 1.00 98.20 83 A 1 ATOM 685 C C . ALA A 1 83 ? 19.641 17.130 -9.902 1.00 98.07 83 A 1 ATOM 686 O O . ALA A 1 83 ? 18.939 18.020 -10.379 1.00 97.80 83 A 1 ATOM 687 C CB . ALA A 1 83 ? 20.305 17.058 -7.449 1.00 98.14 83 A 1 ATOM 688 N N . ASP A 1 84 ? 20.620 16.532 -10.582 1.00 98.11 84 A 1 ATOM 689 C CA . ASP A 1 84 ? 20.972 16.878 -11.962 1.00 97.89 84 A 1 ATOM 690 C C . ASP A 1 84 ? 19.782 16.709 -12.911 1.00 97.74 84 A 1 ATOM 691 O O . ASP A 1 84 ? 19.457 17.621 -13.671 1.00 96.74 84 A 1 ATOM 692 C CB . ASP A 1 84 ? 22.131 16.000 -12.451 1.00 97.43 84 A 1 ATOM 693 C CG . ASP A 1 84 ? 23.485 16.368 -11.848 1.00 96.10 84 A 1 ATOM 694 O OD1 . ASP A 1 84 ? 23.622 17.521 -11.380 1.00 92.04 84 A 1 ATOM 695 O OD2 . ASP A 1 84 ? 24.384 15.506 -11.958 1.00 92.15 84 A 1 ATOM 696 N N . GLU A 1 85 ? 19.074 15.578 -12.820 1.00 97.58 85 A 1 ATOM 697 C CA . GLU A 1 85 ? 17.857 15.350 -13.608 1.00 97.07 85 A 1 ATOM 698 C C . GLU A 1 85 ? 16.778 16.407 -13.318 1.00 97.47 85 A 1 ATOM 699 O O . GLU A 1 85 ? 16.108 16.896 -14.228 1.00 96.24 85 A 1 ATOM 700 C CB . GLU A 1 85 ? 17.294 13.952 -13.307 1.00 95.73 85 A 1 ATOM 701 C CG . GLU A 1 85 ? 18.099 12.816 -13.959 1.00 87.76 85 A 1 ATOM 702 C CD . GLU A 1 85 ? 18.052 12.826 -15.496 1.00 91.69 85 A 1 ATOM 703 O OE1 . GLU A 1 85 ? 18.943 12.195 -16.100 1.00 84.59 85 A 1 ATOM 704 O OE2 . GLU A 1 85 ? 17.103 13.417 -16.071 1.00 85.70 85 A 1 ATOM 705 N N . LEU A 1 86 ? 16.618 16.792 -12.045 1.00 97.93 86 A 1 ATOM 706 C CA . LEU A 1 86 ? 15.654 17.826 -11.658 1.00 97.86 86 A 1 ATOM 707 C C . LEU A 1 86 ? 16.072 19.238 -12.094 1.00 97.74 86 A 1 ATOM 708 O O . LEU A 1 86 ? 15.192 20.074 -12.304 1.00 97.15 86 A 1 ATOM 709 C CB . LEU A 1 86 ? 15.439 17.783 -10.136 1.00 97.94 86 A 1 ATOM 710 C CG . LEU A 1 86 ? 14.576 16.605 -9.653 1.00 97.60 86 A 1 ATOM 711 C CD1 . LEU A 1 86 ? 14.634 16.526 -8.124 1.00 96.35 86 A 1 ATOM 712 C CD2 . LEU A 1 86 ? 13.108 16.779 -10.051 1.00 96.39 86 A 1 ATOM 713 N N . LEU A 1 87 ? 17.372 19.526 -12.207 1.00 97.77 87 A 1 ATOM 714 C CA . LEU A 1 87 ? 17.857 20.803 -12.736 1.00 97.49 87 A 1 ATOM 715 C C . LEU A 1 87 ? 17.746 20.873 -14.260 1.00 97.42 87 A 1 ATOM 716 O O . LEU A 1 87 ? 17.313 21.892 -14.792 1.00 96.26 87 A 1 ATOM 717 C CB . LEU A 1 87 ? 19.315 21.044 -12.311 1.00 96.92 87 A 1 ATOM 718 C CG . LEU A 1 87 ? 19.532 21.455 -10.846 1.00 93.64 87 A 1 ATOM 719 C CD1 . LEU A 1 87 ? 21.013 21.797 -10.672 1.00 88.96 87 A 1 ATOM 720 C CD2 . LEU A 1 87 ? 18.726 22.689 -10.429 1.00 89.26 87 A 1 ATOM 721 N N . GLN A 1 88 ? 18.125 19.797 -14.959 1.00 97.70 88 A 1 ATOM 722 C CA . GLN A 1 88 ? 18.157 19.767 -16.423 1.00 97.39 88 A 1 ATOM 723 C C . GLN A 1 88 ? 16.760 19.618 -17.034 1.00 97.25 88 A 1 ATOM 724 O O . GLN A 1 88 ? 16.434 20.300 -18.002 1.00 96.05 88 A 1 ATOM 725 C CB . GLN A 1 88 ? 19.067 18.617 -16.880 1.00 96.81 88 A 1 ATOM 726 C CG . GLN A 1 88 ? 20.545 18.866 -16.531 1.00 90.17 88 A 1 ATOM 727 C CD . GLN A 1 88 ? 21.442 17.674 -16.856 1.00 85.48 88 A 1 ATOM 728 O OE1 . GLN A 1 88 ? 21.131 16.810 -17.661 1.00 77.43 88 A 1 ATOM 729 N NE2 . GLN A 1 88 ? 22.612 17.594 -16.263 1.00 73.01 88 A 1 ATOM 730 N N . ASN A 1 89 ? 15.925 18.761 -16.441 1.00 97.49 89 A 1 ATOM 731 C CA . ASN A 1 89 ? 14.632 18.337 -16.992 1.00 97.21 89 A 1 ATOM 732 C C . ASN A 1 89 ? 13.465 18.613 -16.024 1.00 97.25 89 A 1 ATOM 733 O O . ASN A 1 89 ? 12.435 17.933 -16.048 1.00 95.71 89 A 1 ATOM 734 C CB . ASN A 1 89 ? 14.748 16.855 -17.399 1.00 96.83 89 A 1 ATOM 735 C CG . ASN A 1 89 ? 15.863 16.587 -18.396 1.00 95.89 89 A 1 ATOM 736 O OD1 . ASN A 1 89 ? 15.969 17.241 -19.421 1.00 89.45 89 A 1 ATOM 737 N ND2 . ASN A 1 89 ? 16.721 15.630 -18.136 1.00 89.74 89 A 1 ATOM 738 N N . GLY A 1 90 ? 13.612 19.607 -15.128 1.00 96.24 90 A 1 ATOM 739 C CA . GLY A 1 90 ? 12.680 19.846 -14.021 1.00 95.55 90 A 1 ATOM 740 C C . GLY A 1 90 ? 11.226 20.048 -14.431 1.00 96.59 90 A 1 ATOM 741 O O . GLY A 1 90 ? 10.336 19.460 -13.803 1.00 95.93 90 A 1 ATOM 742 N N . ASP A 1 91 ? 10.985 20.817 -15.481 1.00 96.56 91 A 1 ATOM 743 C CA . ASP A 1 91 ? 9.624 21.096 -15.962 1.00 97.04 91 A 1 ATOM 744 C C . ASP A 1 91 ? 8.929 19.824 -16.468 1.00 97.57 91 A 1 ATOM 745 O O . ASP A 1 91 ? 7.774 19.561 -16.116 1.00 96.88 91 A 1 ATOM 746 C CB . ASP A 1 91 ? 9.663 22.165 -17.070 1.00 96.55 91 A 1 ATOM 747 C CG . ASP A 1 91 ? 10.026 23.571 -16.567 1.00 94.09 91 A 1 ATOM 748 O OD1 . ASP A 1 91 ? 9.764 23.861 -15.376 1.00 88.61 91 A 1 ATOM 749 O OD2 . ASP A 1 91 ? 10.522 24.369 -17.393 1.00 88.93 91 A 1 ATOM 750 N N . GLU A 1 92 ? 9.662 18.985 -17.217 1.00 97.36 92 A 1 ATOM 751 C CA . GLU A 1 92 ? 9.163 17.700 -17.715 1.00 97.51 92 A 1 ATOM 752 C C . GLU A 1 92 ? 8.852 16.743 -16.557 1.00 97.78 92 A 1 ATOM 753 O O . GLU A 1 92 ? 7.768 16.155 -16.493 1.00 97.16 92 A 1 ATOM 754 C CB . GLU A 1 92 ? 10.194 17.092 -18.683 1.00 97.15 92 A 1 ATOM 755 C CG . GLU A 1 92 ? 9.624 15.829 -19.347 1.00 87.73 92 A 1 ATOM 756 C CD . GLU A 1 92 ? 10.584 15.101 -20.294 1.00 84.56 92 A 1 ATOM 757 O OE1 . GLU A 1 92 ? 10.198 13.967 -20.671 1.00 73.73 92 A 1 ATOM 758 O OE2 . GLU A 1 92 ? 11.654 15.645 -20.630 1.00 75.66 92 A 1 ATOM 759 N N . TRP A 1 93 ? 9.783 16.625 -15.584 1.00 98.08 93 A 1 ATOM 760 C CA . TRP A 1 93 ? 9.563 15.788 -14.405 1.00 97.96 93 A 1 ATOM 761 C C . TRP A 1 93 ? 8.380 16.257 -13.566 1.00 97.96 93 A 1 ATOM 762 O O . TRP A 1 93 ? 7.613 15.429 -13.064 1.00 97.57 93 A 1 ATOM 763 C CB . TRP A 1 93 ? 10.836 15.744 -13.553 1.00 97.73 93 A 1 ATOM 764 C CG . TRP A 1 93 ? 11.917 14.870 -14.111 1.00 97.61 93 A 1 ATOM 765 C CD1 . TRP A 1 93 ? 13.170 15.261 -14.422 1.00 96.49 93 A 1 ATOM 766 C CD2 . TRP A 1 93 ? 11.838 13.449 -14.457 1.00 97.13 93 A 1 ATOM 767 N NE1 . TRP A 1 93 ? 13.874 14.191 -14.936 1.00 96.03 93 A 1 ATOM 768 C CE2 . TRP A 1 93 ? 13.101 13.052 -14.989 1.00 96.50 93 A 1 ATOM 769 C CE3 . TRP A 1 93 ? 10.825 12.466 -14.392 1.00 96.34 93 A 1 ATOM 770 C CZ2 . TRP A 1 93 ? 13.349 11.744 -15.440 1.00 95.31 93 A 1 ATOM 771 C CZ3 . TRP A 1 93 ? 11.060 11.151 -14.844 1.00 95.22 93 A 1 ATOM 772 C CH2 . TRP A 1 93 ? 12.321 10.793 -15.369 1.00 94.68 93 A 1 ATOM 773 N N . GLU A 1 94 ? 8.189 17.567 -13.409 1.00 97.57 94 A 1 ATOM 774 C CA . GLU A 1 94 ? 7.029 18.106 -12.698 1.00 97.35 94 A 1 ATOM 775 C C . GLU A 1 94 ? 5.711 17.828 -13.423 1.00 97.44 94 A 1 ATOM 776 O O . GLU A 1 94 ? 4.713 17.529 -12.762 1.00 96.87 94 A 1 ATOM 777 C CB . GLU A 1 94 ? 7.164 19.612 -12.480 1.00 96.77 94 A 1 ATOM 778 C CG . GLU A 1 94 ? 8.093 19.952 -11.315 1.00 92.55 94 A 1 ATOM 779 C CD . GLU A 1 94 ? 7.916 21.388 -10.820 1.00 89.96 94 A 1 ATOM 780 O OE1 . GLU A 1 94 ? 8.667 21.749 -9.890 1.00 79.00 94 A 1 ATOM 781 O OE2 . GLU A 1 94 ? 6.954 22.084 -11.222 1.00 79.96 94 A 1 ATOM 782 N N . GLU A 1 95 ? 5.689 17.913 -14.744 1.00 97.14 95 A 1 ATOM 783 C CA . GLU A 1 95 ? 4.505 17.583 -15.538 1.00 97.18 95 A 1 ATOM 784 C C . GLU A 1 95 ? 4.154 16.097 -15.415 1.00 97.24 95 A 1 ATOM 785 O O . GLU A 1 95 ? 3.024 15.758 -15.037 1.00 96.65 95 A 1 ATOM 786 C CB . GLU A 1 95 ? 4.720 18.015 -16.996 1.00 97.12 95 A 1 ATOM 787 C CG . GLU A 1 95 ? 3.432 17.803 -17.811 1.00 86.59 95 A 1 ATOM 788 C CD . GLU A 1 95 ? 3.496 18.352 -19.244 1.00 82.33 95 A 1 ATOM 789 O OE1 . GLU A 1 95 ? 2.419 18.309 -19.887 1.00 73.08 95 A 1 ATOM 790 O OE2 . GLU A 1 95 ? 4.559 18.836 -19.663 1.00 75.32 95 A 1 ATOM 791 N N . GLN A 1 96 ? 5.143 15.212 -15.619 1.00 97.72 96 A 1 ATOM 792 C CA . GLN A 1 96 ? 4.964 13.768 -15.446 1.00 97.47 96 A 1 ATOM 793 C C . GLN A 1 96 ? 4.522 13.416 -14.018 1.00 97.34 96 A 1 ATOM 794 O O . GLN A 1 96 ? 3.626 12.591 -13.817 1.00 96.64 96 A 1 ATOM 795 C CB . GLN A 1 96 ? 6.276 13.038 -15.770 1.00 97.45 96 A 1 ATOM 796 C CG . GLN A 1 96 ? 6.679 13.071 -17.253 1.00 95.65 96 A 1 ATOM 797 C CD . GLN A 1 96 ? 7.935 12.240 -17.514 1.00 93.65 96 A 1 ATOM 798 O OE1 . GLN A 1 96 ? 8.229 11.286 -16.799 1.00 86.18 96 A 1 ATOM 799 N NE2 . GLN A 1 96 ? 8.698 12.517 -18.537 1.00 82.77 96 A 1 ATOM 800 N N . PHE A 1 97 ? 5.104 14.069 -13.007 1.00 97.39 97 A 1 ATOM 801 C CA . PHE A 1 97 ? 4.721 13.856 -11.616 1.00 96.94 97 A 1 ATOM 802 C C . PHE A 1 97 ? 3.292 14.331 -11.324 1.00 96.82 97 A 1 ATOM 803 O O . PHE A 1 97 ? 2.556 13.655 -10.604 1.00 96.12 97 A 1 ATOM 804 C CB . PHE A 1 97 ? 5.729 14.555 -10.702 1.00 96.65 97 A 1 ATOM 805 C CG . PHE A 1 97 ? 5.405 14.404 -9.228 1.00 96.71 97 A 1 ATOM 806 C CD1 . PHE A 1 97 ? 5.040 15.526 -8.459 1.00 93.70 97 A 1 ATOM 807 C CD2 . PHE A 1 97 ? 5.431 13.131 -8.635 1.00 94.28 97 A 1 ATOM 808 C CE1 . PHE A 1 97 ? 4.714 15.371 -7.102 1.00 93.81 97 A 1 ATOM 809 C CE2 . PHE A 1 97 ? 5.100 12.976 -7.279 1.00 94.15 97 A 1 ATOM 810 C CZ . PHE A 1 97 ? 4.742 14.099 -6.511 1.00 94.85 97 A 1 ATOM 811 N N . LYS A 1 98 ? 2.867 15.472 -11.880 1.00 96.51 98 A 1 ATOM 812 C CA . LYS A 1 98 ? 1.478 15.952 -11.759 1.00 95.81 98 A 1 ATOM 813 C C . LYS A 1 98 ? 0.499 14.971 -12.401 1.00 95.16 98 A 1 ATOM 814 O O . LYS A 1 98 ? -0.516 14.660 -11.780 1.00 94.10 98 A 1 ATOM 815 C CB . LYS A 1 98 ? 1.331 17.340 -12.404 1.00 95.74 98 A 1 ATOM 816 C CG . LYS A 1 98 ? 1.903 18.476 -11.541 1.00 88.07 98 A 1 ATOM 817 C CD . LYS A 1 98 ? 2.018 19.759 -12.387 1.00 85.72 98 A 1 ATOM 818 C CE . LYS A 1 98 ? 2.788 20.851 -11.632 1.00 78.04 98 A 1 ATOM 819 N NZ . LYS A 1 98 ? 3.262 21.923 -12.553 1.00 68.94 98 A 1 ATOM 820 N N . ALA A 1 99 ? 0.819 14.457 -13.593 1.00 96.53 99 A 1 ATOM 821 C CA . ALA A 1 99 ? 0.011 13.442 -14.267 1.00 96.11 99 A 1 ATOM 822 C C . ALA A 1 99 ? -0.095 12.162 -13.424 1.00 95.20 99 A 1 ATOM 823 O O . ALA A 1 99 ? -1.203 11.702 -13.155 1.00 93.55 99 A 1 ATOM 824 C CB . ALA A 1 99 ? 0.611 13.179 -15.654 1.00 96.50 99 A 1 ATOM 825 N N . TYR A 1 100 ? 1.039 11.664 -12.910 1.00 96.51 100 A 1 ATOM 826 C CA . TYR A 1 100 ? 1.086 10.502 -12.018 1.00 95.12 100 A 1 ATOM 827 C C . TYR A 1 100 ? 0.235 10.685 -10.752 1.00 94.30 100 A 1 ATOM 828 O O . TYR A 1 100 ? -0.529 9.804 -10.375 1.00 93.14 100 A 1 ATOM 829 C CB . TYR A 1 100 ? 2.556 10.233 -11.653 1.00 94.97 100 A 1 ATOM 830 C CG . TYR A 1 100 ? 2.733 9.236 -10.524 1.00 94.35 100 A 1 ATOM 831 C CD1 . TYR A 1 100 ? 3.031 9.687 -9.219 1.00 91.20 100 A 1 ATOM 832 C CD2 . TYR A 1 100 ? 2.529 7.863 -10.761 1.00 91.23 100 A 1 ATOM 833 C CE1 . TYR A 1 100 ? 3.109 8.768 -8.162 1.00 90.37 100 A 1 ATOM 834 C CE2 . TYR A 1 100 ? 2.604 6.941 -9.705 1.00 91.09 100 A 1 ATOM 835 C CZ . TYR A 1 100 ? 2.886 7.392 -8.399 1.00 90.89 100 A 1 ATOM 836 O OH . TYR A 1 100 ? 2.923 6.508 -7.368 1.00 88.90 100 A 1 ATOM 837 N N . VAL A 1 101 ? 0.338 11.845 -10.089 1.00 93.11 101 A 1 ATOM 838 C CA . VAL A 1 101 ? -0.460 12.125 -8.881 1.00 90.46 101 A 1 ATOM 839 C C . VAL A 1 101 ? -1.951 12.205 -9.206 1.00 88.22 101 A 1 ATOM 840 O O . VAL A 1 101 ? -2.769 11.759 -8.406 1.00 86.54 101 A 1 ATOM 841 C CB . VAL A 1 101 ? 0.024 13.416 -8.191 1.00 90.78 101 A 1 ATOM 842 C CG1 . VAL A 1 101 ? -0.903 13.884 -7.055 1.00 88.10 101 A 1 ATOM 843 C CG2 . VAL A 1 101 ? 1.407 13.206 -7.562 1.00 87.60 101 A 1 ATOM 844 N N . LYS A 1 102 ? -2.305 12.767 -10.358 1.00 90.81 102 A 1 ATOM 845 C CA . LYS A 1 102 ? -3.696 12.840 -10.817 1.00 87.22 102 A 1 ATOM 846 C C . LYS A 1 102 ? -4.262 11.445 -11.099 1.00 84.46 102 A 1 ATOM 847 O O . LYS A 1 102 ? -5.331 11.126 -10.591 1.00 82.93 102 A 1 ATOM 848 C CB . LYS A 1 102 ? -3.769 13.760 -12.041 1.00 88.03 102 A 1 ATOM 849 C CG . LYS A 1 102 ? -5.213 13.947 -12.509 1.00 80.58 102 A 1 ATOM 850 C CD . LYS A 1 102 ? -5.270 14.821 -13.765 1.00 78.91 102 A 1 ATOM 851 C CE . LYS A 1 102 ? -6.712 14.797 -14.273 1.00 70.72 102 A 1 ATOM 852 N NZ . LYS A 1 102 ? -6.856 15.434 -15.595 1.00 62.50 102 A 1 ATOM 853 N N . GLU A 1 103 ? -3.516 10.612 -11.824 1.00 88.45 103 A 1 ATOM 854 C CA . GLU A 1 103 ? -3.905 9.222 -12.107 1.00 84.70 103 A 1 ATOM 855 C C . GLU A 1 103 ? -4.059 8.402 -10.819 1.00 81.93 103 A 1 ATOM 856 O O . GLU A 1 103 ? -5.037 7.671 -10.650 1.00 78.46 103 A 1 ATOM 857 C CB . GLU A 1 103 ? -2.851 8.607 -13.037 1.00 85.31 103 A 1 ATOM 858 C CG . GLU A 1 103 ? -3.222 7.188 -13.502 1.00 77.11 103 A 1 ATOM 859 C CD . GLU A 1 103 ? -2.157 6.542 -14.406 1.00 75.51 103 A 1 ATOM 860 O OE1 . GLU A 1 103 ? -2.425 5.417 -14.885 1.00 69.07 103 A 1 ATOM 861 O OE2 . GLU A 1 103 ? -1.075 7.145 -14.591 1.00 70.74 103 A 1 ATOM 862 N N . GLU A 1 104 ? -3.138 8.564 -9.860 1.00 83.98 104 A 1 ATOM 863 C CA . GLU A 1 104 ? -3.248 7.906 -8.551 1.00 78.73 104 A 1 ATOM 864 C C . GLU A 1 104 ? -4.496 8.364 -7.772 1.00 75.82 104 A 1 ATOM 865 O O . GLU A 1 104 ? -5.157 7.553 -7.126 1.00 73.03 104 A 1 ATOM 866 C CB . GLU A 1 104 ? -1.970 8.183 -7.750 1.00 77.86 104 A 1 ATOM 867 C CG . GLU A 1 104 ? -1.879 7.366 -6.453 1.00 72.04 104 A 1 ATOM 868 C CD . GLU A 1 104 ? -0.760 7.902 -5.557 1.00 70.37 104 A 1 ATOM 869 O OE1 . GLU A 1 104 ? 0.178 7.170 -5.184 1.00 64.92 104 A 1 ATOM 870 O OE2 . GLU A 1 104 ? -0.785 9.113 -5.221 1.00 65.65 104 A 1 ATOM 871 N N . GLN A 1 105 ? -4.851 9.645 -7.844 1.00 81.63 105 A 1 ATOM 872 C CA . GLN A 1 105 ? -6.081 10.162 -7.229 1.00 76.41 105 A 1 ATOM 873 C C . GLN A 1 105 ? -7.340 9.628 -7.926 1.00 73.88 105 A 1 ATOM 874 O O . GLN A 1 105 ? -8.298 9.238 -7.253 1.00 71.77 105 A 1 ATOM 875 C CB . GLN A 1 105 ? -6.077 11.697 -7.259 1.00 76.43 105 A 1 ATOM 876 C CG . GLN A 1 105 ? -5.117 12.288 -6.213 1.00 71.62 105 A 1 ATOM 877 C CD . GLN A 1 105 ? -4.977 13.805 -6.320 1.00 68.11 105 A 1 ATOM 878 O OE1 . GLN A 1 105 ? -5.570 14.499 -7.130 1.00 65.56 105 A 1 ATOM 879 N NE2 . GLN A 1 105 ? -4.171 14.401 -5.472 1.00 60.56 105 A 1 ATOM 880 N N . GLU A 1 106 ? -7.336 9.583 -9.254 1.00 77.33 106 A 1 ATOM 881 C CA . GLU A 1 106 ? -8.451 9.049 -10.044 1.00 73.84 106 A 1 ATOM 882 C C . GLU A 1 106 ? -8.647 7.549 -9.790 1.00 70.37 106 A 1 ATOM 883 O O . GLU A 1 106 ? -9.772 7.114 -9.522 1.00 66.90 106 A 1 ATOM 884 C CB . GLU A 1 106 ? -8.222 9.343 -11.537 1.00 74.51 106 A 1 ATOM 885 C CG . GLU A 1 106 ? -8.452 10.833 -11.863 1.00 70.65 106 A 1 ATOM 886 C CD . GLU A 1 106 ? -8.122 11.227 -13.317 1.00 69.57 106 A 1 ATOM 887 O OE1 . GLU A 1 106 ? -8.311 12.427 -13.640 1.00 65.74 106 A 1 ATOM 888 O OE2 . GLU A 1 106 ? -7.680 10.366 -14.103 1.00 68.60 106 A 1 ATOM 889 N N . THR A 1 107 ? -7.558 6.770 -9.766 1.00 76.49 107 A 1 ATOM 890 C CA . THR A 1 107 ? -7.601 5.336 -9.438 1.00 72.37 107 A 1 ATOM 891 C C . THR A 1 107 ? -8.057 5.094 -8.000 1.00 69.24 107 A 1 ATOM 892 O O . THR A 1 107 ? -8.946 4.271 -7.781 1.00 65.58 107 A 1 ATOM 893 C CB . THR A 1 107 ? -6.258 4.639 -9.690 1.00 71.84 107 A 1 ATOM 894 O OG1 . THR A 1 107 ? -5.201 5.344 -9.098 1.00 65.69 107 A 1 ATOM 895 C CG2 . THR A 1 107 ? -5.938 4.514 -11.178 1.00 66.45 107 A 1 ATOM 896 N N . ALA A 1 108 ? -7.557 5.867 -7.028 1.00 68.37 108 A 1 ATOM 897 C CA . ALA A 1 108 ? -8.019 5.789 -5.639 1.00 65.48 108 A 1 ATOM 898 C C . ALA A 1 108 ? -9.515 6.141 -5.486 1.00 64.92 108 A 1 ATOM 899 O O . ALA A 1 108 ? -10.202 5.593 -4.620 1.00 62.75 108 A 1 ATOM 900 C CB . ALA A 1 108 ? -7.146 6.719 -4.788 1.00 63.22 108 A 1 ATOM 901 N N . THR A 1 109 ? -10.023 7.053 -6.327 1.00 64.09 109 A 1 ATOM 902 C CA . THR A 1 109 ? -11.443 7.448 -6.333 1.00 62.85 109 A 1 ATOM 903 C C . THR A 1 109 ? -12.326 6.426 -7.062 1.00 63.29 109 A 1 ATOM 904 O O . THR A 1 109 ? -13.509 6.300 -6.746 1.00 59.68 109 A 1 ATOM 905 C CB . THR A 1 109 ? -11.619 8.841 -6.960 1.00 59.13 109 A 1 ATOM 906 O OG1 . THR A 1 109 ? -10.727 9.767 -6.382 1.00 52.28 109 A 1 ATOM 907 C CG2 . THR A 1 109 ? -13.015 9.424 -6.727 1.00 51.39 109 A 1 ATOM 908 N N . SER A 1 110 ? -11.744 5.679 -8.015 1.00 63.60 110 A 1 ATOM 909 C CA . SER A 1 110 ? -12.435 4.659 -8.813 1.00 63.31 110 A 1 ATOM 910 C C . SER A 1 110 ? -12.421 3.257 -8.194 1.00 65.74 110 A 1 ATOM 911 O O . SER A 1 110 ? -13.028 2.345 -8.756 1.00 61.80 110 A 1 ATOM 912 C CB . SER A 1 110 ? -11.885 4.638 -10.241 1.00 57.69 110 A 1 ATOM 913 O OG . SER A 1 110 ? -10.568 4.128 -10.287 1.00 49.69 110 A 1 ATOM 914 N N . GLU A 1 111 ? -11.748 3.051 -7.045 1.00 64.44 111 A 1 ATOM 915 C CA . GLU A 1 111 ? -11.799 1.762 -6.353 1.00 65.06 111 A 1 ATOM 916 C C . GLU A 1 111 ? -13.256 1.384 -6.044 1.00 66.43 111 A 1 ATOM 917 O O . GLU A 1 111 ? -13.968 2.141 -5.366 1.00 63.52 111 A 1 ATOM 918 C CB . GLU A 1 111 ? -10.976 1.740 -5.057 1.00 61.04 111 A 1 ATOM 919 C CG . GLU A 1 111 ? -9.475 1.550 -5.302 1.00 54.53 111 A 1 ATOM 920 C CD . GLU A 1 111 ? -8.697 1.176 -4.022 1.00 50.34 111 A 1 ATOM 921 O OE1 . GLU A 1 111 ? -7.535 0.740 -4.162 1.00 47.98 111 A 1 ATOM 922 O OE2 . GLU A 1 111 ? -9.279 1.251 -2.906 1.00 46.22 111 A 1 ATOM 923 N N . PRO A 1 112 ? -13.723 0.215 -6.514 1.00 70.31 112 A 1 ATOM 924 C CA . PRO A 1 112 ? -15.097 -0.193 -6.285 1.00 70.18 112 A 1 ATOM 925 C C . PRO A 1 112 ? -15.325 -0.398 -4.789 1.00 71.68 112 A 1 ATOM 926 O O . PRO A 1 112 ? -14.712 -1.251 -4.134 1.00 69.04 112 A 1 ATOM 927 C CB . PRO A 1 112 ? -15.306 -1.460 -7.118 1.00 66.34 112 A 1 ATOM 928 C CG . PRO A 1 112 ? -13.895 -2.021 -7.275 1.00 63.49 112 A 1 ATOM 929 C CD . PRO A 1 112 ? -13.018 -0.774 -7.298 1.00 67.88 112 A 1 ATOM 930 N N . VAL A 1 113 ? -16.235 0.381 -4.250 1.00 71.17 113 A 1 ATOM 931 C CA . VAL A 1 113 ? -16.622 0.268 -2.847 1.00 71.62 113 A 1 ATOM 932 C C . VAL A 1 113 ? -17.574 -0.905 -2.686 1.00 75.78 113 A 1 ATOM 933 O O . VAL A 1 113 ? -18.646 -0.951 -3.289 1.00 73.71 113 A 1 ATOM 934 C CB . VAL A 1 113 ? -17.246 1.559 -2.316 1.00 66.78 113 A 1 ATOM 935 C CG1 . VAL A 1 113 ? -17.587 1.380 -0.825 1.00 60.62 113 A 1 ATOM 936 C CG2 . VAL A 1 113 ? -16.288 2.748 -2.481 1.00 63.05 113 A 1 ATOM 937 N N . PHE A 1 114 ? -17.190 -1.829 -1.817 1.00 82.10 114 A 1 ATOM 938 C CA . PHE A 1 114 ? -18.031 -2.967 -1.468 1.00 84.16 114 A 1 ATOM 939 C C . PHE A 1 114 ? -18.597 -2.820 -0.061 1.00 87.76 114 A 1 ATOM 940 O O . PHE A 1 114 ? -17.888 -2.515 0.900 1.00 87.07 114 A 1 ATOM 941 C CB . PHE A 1 114 ? -17.253 -4.274 -1.635 1.00 79.50 114 A 1 ATOM 942 C CG . PHE A 1 114 ? -16.850 -4.551 -3.067 1.00 74.06 114 A 1 ATOM 943 C CD1 . PHE A 1 114 ? -17.771 -5.117 -3.968 1.00 69.13 114 A 1 ATOM 944 C CD2 . PHE A 1 114 ? -15.553 -4.222 -3.509 1.00 67.55 114 A 1 ATOM 945 C CE1 . PHE A 1 114 ? -17.398 -5.360 -5.303 1.00 61.77 114 A 1 ATOM 946 C CE2 . PHE A 1 114 ? -15.181 -4.463 -4.844 1.00 62.14 114 A 1 ATOM 947 C CZ . PHE A 1 114 ? -16.103 -5.032 -5.741 1.00 63.62 114 A 1 ATOM 948 N N . LEU A 1 115 ? -19.883 -3.133 0.083 1.00 91.97 115 A 1 ATOM 949 C CA . LEU A 1 115 ? -20.458 -3.519 1.359 1.00 92.50 115 A 1 ATOM 950 C C . LEU A 1 115 ? -20.103 -4.978 1.623 1.00 93.14 115 A 1 ATOM 951 O O . LEU A 1 115 ? -20.109 -5.814 0.719 1.00 91.65 115 A 1 ATOM 952 C CB . LEU A 1 115 ? -21.973 -3.293 1.359 1.00 91.71 115 A 1 ATOM 953 C CG . LEU A 1 115 ? -22.385 -1.830 1.116 1.00 90.14 115 A 1 ATOM 954 C CD1 . LEU A 1 115 ? -23.908 -1.736 1.073 1.00 86.25 115 A 1 ATOM 955 C CD2 . LEU A 1 115 ? -21.864 -0.894 2.212 1.00 86.29 115 A 1 ATOM 956 N N . SER A 1 116 ? -19.803 -5.295 2.864 1.00 95.45 116 A 1 ATOM 957 C CA . SER A 1 116 ? -19.542 -6.674 3.257 1.00 95.39 116 A 1 ATOM 958 C C . SER A 1 116 ? -20.260 -7.006 4.548 1.00 96.60 116 A 1 ATOM 959 O O . SER A 1 116 ? -20.358 -6.169 5.446 1.00 96.40 116 A 1 ATOM 960 C CB . SER A 1 116 ? -18.044 -6.952 3.376 1.00 93.27 116 A 1 ATOM 961 O OG . SER A 1 116 ? -17.375 -6.628 2.174 1.00 82.50 116 A 1 ATOM 962 N N . VAL A 1 117 ? -20.732 -8.247 4.632 1.00 95.91 117 A 1 ATOM 963 C CA . VAL A 1 117 ? -21.254 -8.840 5.860 1.00 96.75 117 A 1 ATOM 964 C C . VAL A 1 117 ? -20.344 -9.996 6.234 1.00 96.73 117 A 1 ATOM 965 O O . VAL A 1 117 ? -20.067 -10.863 5.409 1.00 95.69 117 A 1 ATOM 966 C CB . VAL A 1 117 ? -22.711 -9.297 5.711 1.00 96.72 117 A 1 ATOM 967 C CG1 . VAL A 1 117 ? -23.237 -9.852 7.042 1.00 94.70 117 A 1 ATOM 968 C CG2 . VAL A 1 117 ? -23.617 -8.138 5.287 1.00 93.58 117 A 1 ATOM 969 N N . ILE A 1 118 ? -19.864 -9.995 7.470 1.00 96.98 118 A 1 ATOM 970 C CA . ILE A 1 118 ? -18.995 -11.044 8.006 1.00 96.95 118 A 1 ATOM 971 C C . ILE A 1 118 ? -19.611 -11.673 9.250 1.00 97.27 118 A 1 ATOM 972 O O . ILE A 1 118 ? -20.275 -10.997 10.030 1.00 96.95 118 A 1 ATOM 973 C CB . ILE A 1 118 ? -17.561 -10.534 8.262 1.00 96.23 118 A 1 ATOM 974 C CG1 . ILE A 1 118 ? -17.500 -9.414 9.322 1.00 93.51 118 A 1 ATOM 975 C CG2 . ILE A 1 118 ? -16.929 -10.081 6.932 1.00 92.80 118 A 1 ATOM 976 C CD1 . ILE A 1 118 ? -16.076 -9.002 9.708 1.00 91.99 118 A 1 ATOM 977 N N . LYS A 1 119 ? -19.350 -12.962 9.453 1.00 97.27 119 A 1 ATOM 978 C CA . LYS A 1 119 ? -19.572 -13.652 10.729 1.00 97.28 119 A 1 ATOM 979 C C . LYS A 1 119 ? -18.224 -13.843 11.408 1.00 97.06 119 A 1 ATOM 980 O O . LYS A 1 119 ? -17.319 -14.428 10.818 1.00 95.99 119 A 1 ATOM 981 C CB . LYS A 1 119 ? -20.301 -14.975 10.492 1.00 96.89 119 A 1 ATOM 982 C CG . LYS A 1 119 ? -20.674 -15.668 11.806 1.00 94.81 119 A 1 ATOM 983 C CD . LYS A 1 119 ? -21.323 -17.027 11.517 1.00 92.36 119 A 1 ATOM 984 C CE . LYS A 1 119 ? -21.637 -17.744 12.832 1.00 86.34 119 A 1 ATOM 985 N NZ . LYS A 1 119 ? -21.950 -19.177 12.612 1.00 80.16 119 A 1 ATOM 986 N N . VAL A 1 120 ? -18.092 -13.337 12.627 1.00 97.47 120 A 1 ATOM 987 C CA . VAL A 1 120 ? -16.817 -13.278 13.352 1.00 97.25 120 A 1 ATOM 988 C C . VAL A 1 120 ? -16.940 -13.960 14.704 1.00 97.41 120 A 1 ATOM 989 O O . VAL A 1 120 ? -17.905 -13.747 15.432 1.00 96.37 120 A 1 ATOM 990 C CB . VAL A 1 120 ? -16.328 -11.829 13.519 1.00 95.57 120 A 1 ATOM 991 C CG1 . VAL A 1 120 ? -14.898 -11.772 14.065 1.00 84.26 120 A 1 ATOM 992 C CG2 . VAL A 1 120 ? -16.314 -11.089 12.183 1.00 84.44 120 A 1 ATOM 993 N N . GLN A 1 121 ? -15.930 -14.745 15.051 1.00 97.03 121 A 1 ATOM 994 C CA . GLN A 1 121 ? -15.783 -15.347 16.371 1.00 96.62 121 A 1 ATOM 995 C C . GLN A 1 121 ? -15.505 -14.282 17.437 1.00 96.38 121 A 1 ATOM 996 O O . GLN A 1 121 ? -14.599 -13.451 17.293 1.00 95.43 121 A 1 ATOM 997 C CB . GLN A 1 121 ? -14.629 -16.354 16.348 1.00 95.85 121 A 1 ATOM 998 C CG . GLN A 1 121 ? -14.919 -17.579 15.471 1.00 94.00 121 A 1 ATOM 999 C CD . GLN A 1 121 ? -13.714 -18.494 15.327 1.00 93.52 121 A 1 ATOM 1000 O OE1 . GLN A 1 121 ? -12.610 -18.211 15.771 1.00 88.13 121 A 1 ATOM 1001 N NE2 . GLN A 1 121 ? -13.879 -19.624 14.688 1.00 86.89 121 A 1 ATOM 1002 N N . ILE A 1 122 ? -16.237 -14.352 18.542 1.00 96.22 122 A 1 ATOM 1003 C CA . ILE A 1 122 ? -15.989 -13.556 19.747 1.00 95.58 122 A 1 ATOM 1004 C C . ILE A 1 122 ? -15.199 -14.423 20.723 1.00 95.73 122 A 1 ATOM 1005 O O . ILE A 1 122 ? -15.685 -15.443 21.219 1.00 94.55 122 A 1 ATOM 1006 C CB . ILE A 1 122 ? -17.296 -13.031 20.373 1.00 94.43 122 A 1 ATOM 1007 C CG1 . ILE A 1 122 ? -18.104 -12.197 19.353 1.00 90.95 122 A 1 ATOM 1008 C CG2 . ILE A 1 122 ? -16.962 -12.184 21.622 1.00 90.34 122 A 1 ATOM 1009 C CD1 . ILE A 1 122 ? -19.454 -11.715 19.893 1.00 80.93 122 A 1 ATOM 1010 N N . TRP A 1 123 ? -13.974 -13.998 21.013 1.00 95.49 123 A 1 ATOM 1011 C CA . TRP A 1 123 ? -13.080 -14.689 21.935 1.00 94.90 123 A 1 ATOM 1012 C C . TRP A 1 123 ? -13.070 -13.996 23.296 1.00 94.99 123 A 1 ATOM 1013 O O . TRP A 1 123 ? -12.942 -12.778 23.392 1.00 93.54 123 A 1 ATOM 1014 C CB . TRP A 1 123 ? -11.686 -14.801 21.319 1.00 93.52 123 A 1 ATOM 1015 C CG . TRP A 1 123 ? -11.620 -15.723 20.136 1.00 92.52 123 A 1 ATOM 1016 C CD1 . TRP A 1 123 ? -11.893 -15.390 18.855 1.00 89.27 123 A 1 ATOM 1017 C CD2 . TRP A 1 123 ? -11.303 -17.149 20.119 1.00 91.64 123 A 1 ATOM 1018 N NE1 . TRP A 1 123 ? -11.768 -16.506 18.047 1.00 88.21 123 A 1 ATOM 1019 C CE2 . TRP A 1 123 ? -11.404 -17.619 18.772 1.00 89.77 123 A 1 ATOM 1020 C CE3 . TRP A 1 123 ? -10.944 -18.092 21.105 1.00 88.89 123 A 1 ATOM 1021 C CZ2 . TRP A 1 123 ? -11.160 -18.954 18.424 1.00 87.99 123 A 1 ATOM 1022 C CZ3 . TRP A 1 123 ? -10.692 -19.438 20.763 1.00 88.37 123 A 1 ATOM 1023 C CH2 . TRP A 1 123 ? -10.801 -19.872 19.429 1.00 87.48 123 A 1 ATOM 1024 N N . GLY A 1 124 ? -13.185 -14.788 24.357 1.00 94.48 124 A 1 ATOM 1025 C CA . GLY A 1 124 ? -13.048 -14.386 25.750 1.00 94.14 124 A 1 ATOM 1026 C C . GLY A 1 124 ? -12.026 -15.259 26.484 1.00 94.90 124 A 1 ATOM 1027 O O . GLY A 1 124 ? -11.228 -15.974 25.872 1.00 93.12 124 A 1 ATOM 1028 N N . GLY A 1 125 ? -12.062 -15.220 27.815 1.00 93.71 125 A 1 ATOM 1029 C CA . GLY A 1 125 ? -11.084 -15.917 28.650 1.00 93.72 125 A 1 ATOM 1030 C C . GLY A 1 125 ? -9.797 -15.109 28.847 1.00 94.63 125 A 1 ATOM 1031 O O . GLY A 1 125 ? -9.787 -13.889 28.712 1.00 92.08 125 A 1 ATOM 1032 N N . SER A 1 126 ? -8.720 -15.783 29.223 1.00 93.70 126 A 1 ATOM 1033 C CA . SER A 1 126 ? -7.399 -15.163 29.391 1.00 94.19 126 A 1 ATOM 1034 C C . SER A 1 126 ? -6.520 -15.403 28.160 1.00 94.00 126 A 1 ATOM 1035 O O . SER A 1 126 ? -6.722 -16.367 27.421 1.00 91.52 126 A 1 ATOM 1036 C CB . SER A 1 126 ? -6.716 -15.670 30.672 1.00 93.51 126 A 1 ATOM 1037 O OG . SER A 1 126 ? -6.321 -17.026 30.558 1.00 86.76 126 A 1 ATOM 1038 N N . MET A 1 127 ? -5.474 -14.588 27.992 1.00 92.83 127 A 1 ATOM 1039 C CA . MET A 1 127 ? -4.513 -14.744 26.890 1.00 91.77 127 A 1 ATOM 1040 C C . MET A 1 127 ? -3.877 -16.151 26.846 1.00 93.09 127 A 1 ATOM 1041 O O . MET A 1 127 ? -3.616 -16.677 25.771 1.00 90.59 127 A 1 ATOM 1042 C CB . MET A 1 127 ? -3.438 -13.652 27.035 1.00 89.25 127 A 1 ATOM 1043 C CG . MET A 1 127 ? -2.494 -13.566 25.828 1.00 77.09 127 A 1 ATOM 1044 S SD . MET A 1 127 ? -1.214 -12.286 25.994 1.00 71.33 127 A 1 ATOM 1045 C CE . MET A 1 127 ? -2.184 -10.781 25.695 1.00 63.63 127 A 1 ATOM 1046 N N . LYS A 1 128 ? -3.682 -16.786 28.009 1.00 93.62 128 A 1 ATOM 1047 C CA . LYS A 1 128 ? -3.146 -18.160 28.117 1.00 94.17 128 A 1 ATOM 1048 C C . LYS A 1 128 ? -4.192 -19.256 27.847 1.00 95.08 128 A 1 ATOM 1049 O O . LYS A 1 128 ? -3.817 -20.390 27.563 1.00 92.56 128 A 1 ATOM 1050 C CB . LYS A 1 128 ? -2.511 -18.372 29.505 1.00 93.53 128 A 1 ATOM 1051 C CG . LYS A 1 128 ? -1.256 -17.515 29.733 1.00 85.70 128 A 1 ATOM 1052 C CD . LYS A 1 128 ? -0.585 -17.851 31.078 1.00 81.15 128 A 1 ATOM 1053 C CE . LYS A 1 128 ? 0.674 -16.995 31.274 1.00 74.25 128 A 1 ATOM 1054 N NZ . LYS A 1 128 ? 1.386 -17.305 32.546 1.00 63.57 128 A 1 ATOM 1055 N N . ARG A 1 129 ? -5.480 -18.940 27.989 1.00 95.20 129 A 1 ATOM 1056 C CA . ARG A 1 129 ? -6.609 -19.870 27.811 1.00 95.57 129 A 1 ATOM 1057 C C . ARG A 1 129 ? -7.771 -19.153 27.108 1.00 95.80 129 A 1 ATOM 1058 O O . ARG A 1 129 ? -8.781 -18.844 27.755 1.00 93.63 129 A 1 ATOM 1059 C CB . ARG A 1 129 ? -7.038 -20.478 29.163 1.00 94.89 129 A 1 ATOM 1060 C CG . ARG A 1 129 ? -5.953 -21.360 29.798 1.00 90.78 129 A 1 ATOM 1061 C CD . ARG A 1 129 ? -6.478 -22.020 31.081 1.00 86.31 129 A 1 ATOM 1062 N NE . ARG A 1 129 ? -5.446 -22.851 31.733 1.00 77.70 129 A 1 ATOM 1063 C CZ . ARG A 1 129 ? -5.564 -23.512 32.874 1.00 69.54 129 A 1 ATOM 1064 N NH1 . ARG A 1 129 ? -6.665 -23.493 33.572 1.00 64.33 129 A 1 ATOM 1065 N NH2 . ARG A 1 129 ? -4.568 -24.215 33.344 1.00 62.75 129 A 1 ATOM 1066 N N . PRO A 1 130 ? -7.611 -18.830 25.810 1.00 95.32 130 A 1 ATOM 1067 C CA . PRO A 1 130 ? -8.674 -18.197 25.044 1.00 94.91 130 A 1 ATOM 1068 C C . PRO A 1 130 ? -9.855 -19.163 24.893 1.00 95.66 130 A 1 ATOM 1069 O O . PRO A 1 130 ? -9.669 -20.363 24.682 1.00 94.24 130 A 1 ATOM 1070 C CB . PRO A 1 130 ? -8.042 -17.814 23.702 1.00 92.90 130 A 1 ATOM 1071 C CG . PRO A 1 130 ? -6.930 -18.846 23.518 1.00 89.53 130 A 1 ATOM 1072 C CD . PRO A 1 130 ? -6.463 -19.111 24.950 1.00 92.75 130 A 1 ATOM 1073 N N . LYS A 1 131 ? -11.082 -18.641 25.003 1.00 95.48 131 A 1 ATOM 1074 C CA . LYS A 1 131 ? -12.324 -19.405 24.874 1.00 95.67 131 A 1 ATOM 1075 C C . LYS A 1 131 ? -13.227 -18.734 23.848 1.00 96.00 131 A 1 ATOM 1076 O O . LYS A 1 131 ? -13.457 -17.532 23.934 1.00 94.00 131 A 1 ATOM 1077 C CB . LYS A 1 131 ? -12.989 -19.534 26.258 1.00 93.82 131 A 1 ATOM 1078 C CG . LYS A 1 131 ? -14.242 -20.424 26.207 1.00 82.46 131 A 1 ATOM 1079 C CD . LYS A 1 131 ? -14.904 -20.576 27.583 1.00 83.09 131 A 1 ATOM 1080 C CE . LYS A 1 131 ? -16.168 -21.438 27.437 1.00 73.56 131 A 1 ATOM 1081 N NZ . LYS A 1 131 ? -16.889 -21.615 28.725 1.00 66.02 131 A 1 ATOM 1082 N N . LEU A 1 132 ? -13.762 -19.507 22.916 1.00 95.49 132 A 1 ATOM 1083 C CA . LEU A 1 132 ? -14.817 -19.031 22.026 1.00 96.06 132 A 1 ATOM 1084 C C . LEU A 1 132 ? -16.089 -18.804 22.853 1.00 96.27 132 A 1 ATOM 1085 O O . LEU A 1 132 ? -16.610 -19.740 23.457 1.00 95.36 132 A 1 ATOM 1086 C CB . LEU A 1 132 ? -15.022 -20.048 20.885 1.00 95.73 132 A 1 ATOM 1087 C CG . LEU A 1 132 ? -16.051 -19.602 19.826 1.00 94.10 132 A 1 ATOM 1088 C CD1 . LEU A 1 132 ? -15.596 -18.358 19.068 1.00 89.55 132 A 1 ATOM 1089 C CD2 . LEU A 1 132 ? -16.256 -20.728 18.809 1.00 89.75 132 A 1 ATOM 1090 N N . VAL A 1 133 ? -16.554 -17.550 22.901 1.00 96.15 133 A 1 ATOM 1091 C CA . VAL A 1 133 ? -17.730 -17.134 23.684 1.00 95.90 133 A 1 ATOM 1092 C C . VAL A 1 133 ? -18.976 -17.068 22.806 1.00 96.32 133 A 1 ATOM 1093 O O . VAL A 1 133 ? -20.083 -17.297 23.289 1.00 93.74 133 A 1 ATOM 1094 C CB . VAL A 1 133 ? -17.466 -15.782 24.380 1.00 94.18 133 A 1 ATOM 1095 C CG1 . VAL A 1 133 ? -18.654 -15.300 25.218 1.00 87.01 133 A 1 ATOM 1096 C CG2 . VAL A 1 133 ? -16.263 -15.874 25.330 1.00 86.71 133 A 1 ATOM 1097 N N . GLY A 1 134 ? -18.811 -16.771 21.520 1.00 96.48 134 A 1 ATOM 1098 C CA . GLY A 1 134 ? -19.923 -16.662 20.587 1.00 96.37 134 A 1 ATOM 1099 C C . GLY A 1 134 ? -19.498 -16.133 19.226 1.00 96.98 134 A 1 ATOM 1100 O O . GLY A 1 134 ? -18.313 -16.140 18.882 1.00 96.21 134 A 1 ATOM 1101 N N . HIS A 1 135 ? -20.480 -15.661 18.466 1.00 97.10 135 A 1 ATOM 1102 C CA . HIS A 1 135 ? -20.285 -15.066 17.150 1.00 97.07 135 A 1 ATOM 1103 C C . HIS A 1 135 ? -21.063 -13.757 17.042 1.00 97.01 135 A 1 ATOM 1104 O O . HIS A 1 135 ? -22.121 -13.610 17.654 1.00 95.43 135 A 1 ATOM 1105 C CB . HIS A 1 135 ? -20.731 -16.046 16.053 1.00 96.17 135 A 1 ATOM 1106 C CG . HIS A 1 135 ? -19.981 -17.349 16.077 1.00 95.13 135 A 1 ATOM 1107 N ND1 . HIS A 1 135 ? -20.272 -18.449 16.866 1.00 83.59 135 A 1 ATOM 1108 C CD2 . HIS A 1 135 ? -18.881 -17.646 15.325 1.00 84.36 135 A 1 ATOM 1109 C CE1 . HIS A 1 135 ? -19.363 -19.392 16.583 1.00 86.98 135 A 1 ATOM 1110 N NE2 . HIS A 1 135 ? -18.503 -18.947 15.655 1.00 88.95 135 A 1 ATOM 1111 N N . GLU A 1 136 ? -20.565 -12.830 16.231 1.00 96.80 136 A 1 ATOM 1112 C CA . GLU A 1 136 ? -21.299 -11.639 15.806 1.00 96.45 136 A 1 ATOM 1113 C C . GLU A 1 136 ? -21.365 -11.579 14.280 1.00 97.26 136 A 1 ATOM 1114 O O . GLU A 1 136 ? -20.445 -12.013 13.586 1.00 96.39 136 A 1 ATOM 1115 C CB . GLU A 1 136 ? -20.711 -10.360 16.434 1.00 93.25 136 A 1 ATOM 1116 C CG . GLU A 1 136 ? -19.277 -10.015 15.983 1.00 86.75 136 A 1 ATOM 1117 C CD . GLU A 1 136 ? -18.699 -8.781 16.699 1.00 89.38 136 A 1 ATOM 1118 O OE1 . GLU A 1 136 ? -17.452 -8.679 16.805 1.00 81.40 136 A 1 ATOM 1119 O OE2 . GLU A 1 136 ? -19.468 -7.914 17.169 1.00 84.20 136 A 1 ATOM 1120 N N . VAL A 1 137 ? -22.464 -11.036 13.764 1.00 97.16 137 A 1 ATOM 1121 C CA . VAL A 1 137 ? -22.622 -10.720 12.342 1.00 97.50 137 A 1 ATOM 1122 C C . VAL A 1 137 ? -22.471 -9.212 12.192 1.00 97.65 137 A 1 ATOM 1123 O O . VAL A 1 137 ? -23.203 -8.441 12.812 1.00 96.78 137 A 1 ATOM 1124 C CB . VAL A 1 137 ? -23.956 -11.237 11.772 1.00 96.99 137 A 1 ATOM 1125 C CG1 . VAL A 1 137 ? -24.025 -10.998 10.255 1.00 94.29 137 A 1 ATOM 1126 C CG2 . VAL A 1 137 ? -24.113 -12.746 12.003 1.00 93.73 137 A 1 ATOM 1127 N N . VAL A 1 138 ? -21.486 -8.783 11.404 1.00 97.49 138 A 1 ATOM 1128 C CA . VAL A 1 138 ? -21.106 -7.378 11.254 1.00 97.58 138 A 1 ATOM 1129 C C . VAL A 1 138 ? -21.226 -6.976 9.797 1.00 97.61 138 A 1 ATOM 1130 O O . VAL A 1 138 ? -20.658 -7.623 8.920 1.00 96.93 138 A 1 ATOM 1131 C CB . VAL A 1 138 ? -19.678 -7.119 11.777 1.00 97.17 138 A 1 ATOM 1132 C CG1 . VAL A 1 138 ? -19.327 -5.623 11.723 1.00 94.62 138 A 1 ATOM 1133 C CG2 . VAL A 1 138 ? -19.513 -7.588 13.227 1.00 93.97 138 A 1 ATOM 1134 N N . MET A 1 139 ? -21.929 -5.881 9.546 1.00 97.80 139 A 1 ATOM 1135 C CA . MET A 1 139 ? -21.983 -5.227 8.247 1.00 97.63 139 A 1 ATOM 1136 C C . MET A 1 139 ? -21.105 -3.979 8.253 1.00 97.68 139 A 1 ATOM 1137 O O . MET A 1 139 ? -21.076 -3.221 9.227 1.00 97.05 139 A 1 ATOM 1138 C CB . MET A 1 139 ? -23.445 -4.954 7.868 1.00 96.67 139 A 1 ATOM 1139 C CG . MET A 1 139 ? -23.618 -4.354 6.462 1.00 93.78 139 A 1 ATOM 1140 S SD . MET A 1 139 ? -23.328 -2.567 6.306 1.00 89.73 139 A 1 ATOM 1141 C CE . MET A 1 139 ? -24.746 -1.957 7.257 1.00 78.96 139 A 1 ATOM 1142 N N . GLY A 1 140 ? -20.398 -3.748 7.154 1.00 97.22 140 A 1 ATOM 1143 C CA . GLY A 1 140 ? -19.543 -2.585 6.998 1.00 96.71 140 A 1 ATOM 1144 C C . GLY A 1 140 ? -19.076 -2.338 5.572 1.00 96.38 140 A 1 ATOM 1145 O O . GLY A 1 140 ? -19.467 -3.027 4.632 1.00 95.27 140 A 1 ATOM 1146 N N . VAL A 1 141 ? -18.226 -1.326 5.428 1.00 95.65 141 A 1 ATOM 1147 C CA . VAL A 1 141 ? -17.576 -0.957 4.166 1.00 95.06 141 A 1 ATOM 1148 C C . VAL A 1 141 ? -16.221 -1.653 4.087 1.00 94.98 141 A 1 ATOM 1149 O O . VAL A 1 141 ? -15.419 -1.569 5.017 1.00 94.08 141 A 1 ATOM 1150 C CB . VAL A 1 141 ? -17.435 0.572 4.043 1.00 93.87 141 A 1 ATOM 1151 C CG1 . VAL A 1 141 ? -16.784 0.959 2.710 1.00 91.21 141 A 1 ATOM 1152 C CG2 . VAL A 1 141 ? -18.800 1.268 4.133 1.00 91.04 141 A 1 ATOM 1153 N N . LYS A 1 142 ? -15.969 -2.352 2.969 1.00 94.16 142 A 1 ATOM 1154 C CA . LYS A 1 142 ? -14.689 -3.009 2.668 1.00 92.68 142 A 1 ATOM 1155 C C . LYS A 1 142 ? -13.736 -2.012 2.019 1.00 91.08 142 A 1 ATOM 1156 O O . LYS A 1 142 ? -14.083 -1.417 1.003 1.00 88.79 142 A 1 ATOM 1157 C CB . LYS A 1 142 ? -14.945 -4.228 1.769 1.00 91.24 142 A 1 ATOM 1158 C CG . LYS A 1 142 ? -13.664 -4.981 1.390 1.00 87.90 142 A 1 ATOM 1159 C CD . LYS A 1 142 ? -13.978 -6.116 0.408 1.00 85.69 142 A 1 ATOM 1160 C CE . LYS A 1 142 ? -12.682 -6.809 -0.037 1.00 79.50 142 A 1 ATOM 1161 N NZ . LYS A 1 142 ? -12.949 -7.845 -1.064 1.00 73.50 142 A 1 ATOM 1162 N N . LYS A 1 143 ? -12.521 -1.891 2.567 1.00 90.42 143 A 1 ATOM 1163 C CA . LYS A 1 143 ? -11.402 -1.150 1.970 1.00 88.77 143 A 1 ATOM 1164 C C . LYS A 1 143 ? -10.091 -1.869 2.291 1.00 89.43 143 A 1 ATOM 1165 O O . LYS A 1 143 ? -9.879 -2.244 3.445 1.00 88.05 143 A 1 ATOM 1166 C CB . LYS A 1 143 ? -11.412 0.302 2.481 1.00 85.69 143 A 1 ATOM 1167 C CG . LYS A 1 143 ? -10.321 1.157 1.818 1.00 80.30 143 A 1 ATOM 1168 C CD . LYS A 1 143 ? -10.430 2.645 2.172 1.00 77.65 143 A 1 ATOM 1169 C CE . LYS A 1 143 ? -9.295 3.390 1.461 1.00 71.16 143 A 1 ATOM 1170 N NZ . LYS A 1 143 ? -9.383 4.865 1.590 1.00 65.61 143 A 1 ATOM 1171 N N . GLU A 1 144 ? -9.228 -2.089 1.282 1.00 85.34 144 A 1 ATOM 1172 C CA . GLU A 1 144 ? -7.866 -2.642 1.441 1.00 84.16 144 A 1 ATOM 1173 C C . GLU A 1 144 ? -7.798 -3.926 2.305 1.00 85.38 144 A 1 ATOM 1174 O O . GLU A 1 144 ? -6.954 -4.098 3.186 1.00 81.96 144 A 1 ATOM 1175 C CB . GLU A 1 144 ? -6.919 -1.546 1.965 1.00 80.86 144 A 1 ATOM 1176 C CG . GLU A 1 144 ? -6.701 -0.387 0.979 1.00 75.73 144 A 1 ATOM 1177 C CD . GLU A 1 144 ? -6.045 0.812 1.676 1.00 72.11 144 A 1 ATOM 1178 O OE1 . GLU A 1 144 ? -6.343 1.957 1.268 1.00 65.60 144 A 1 ATOM 1179 O OE2 . GLU A 1 144 ? -5.347 0.600 2.699 1.00 64.69 144 A 1 ATOM 1180 N N . GLY A 1 145 ? -8.739 -4.853 2.120 1.00 87.61 145 A 1 ATOM 1181 C CA . GLY A 1 145 ? -8.786 -6.102 2.892 1.00 88.40 145 A 1 ATOM 1182 C C . GLY A 1 145 ? -9.295 -5.966 4.334 1.00 91.18 145 A 1 ATOM 1183 O O . GLY A 1 145 ? -9.298 -6.953 5.078 1.00 90.31 145 A 1 ATOM 1184 N N . TRP A 1 146 ? -9.770 -4.789 4.723 1.00 91.62 146 A 1 ATOM 1185 C CA . TRP A 1 146 ? -10.422 -4.529 6.005 1.00 92.96 146 A 1 ATOM 1186 C C . TRP A 1 146 ? -11.918 -4.255 5.832 1.00 93.67 146 A 1 ATOM 1187 O O . TRP A 1 146 ? -12.335 -3.586 4.891 1.00 92.69 146 A 1 ATOM 1188 C CB . TRP A 1 146 ? -9.735 -3.370 6.728 1.00 93.06 146 A 1 ATOM 1189 C CG . TRP A 1 146 ? -8.328 -3.654 7.158 1.00 92.75 146 A 1 ATOM 1190 C CD1 . TRP A 1 146 ? -7.234 -3.574 6.377 1.00 90.61 146 A 1 ATOM 1191 C CD2 . TRP A 1 146 ? -7.861 -4.103 8.464 1.00 92.21 146 A 1 ATOM 1192 N NE1 . TRP A 1 146 ? -6.120 -3.949 7.103 1.00 90.48 146 A 1 ATOM 1193 C CE2 . TRP A 1 146 ? -6.448 -4.281 8.400 1.00 91.58 146 A 1 ATOM 1194 C CE3 . TRP A 1 146 ? -8.489 -4.381 9.698 1.00 91.46 146 A 1 ATOM 1195 C CZ2 . TRP A 1 146 ? -5.696 -4.710 9.501 1.00 91.04 146 A 1 ATOM 1196 C CZ3 . TRP A 1 146 ? -7.746 -4.806 10.813 1.00 90.59 146 A 1 ATOM 1197 C CH2 . TRP A 1 146 ? -6.351 -4.972 10.719 1.00 89.78 146 A 1 ATOM 1198 N N . LEU A 1 147 ? -12.721 -4.731 6.780 1.00 94.61 147 A 1 ATOM 1199 C CA . LEU A 1 147 ? -14.100 -4.305 6.957 1.00 95.68 147 A 1 ATOM 1200 C C . LEU A 1 147 ? -14.145 -3.197 8.010 1.00 96.06 147 A 1 ATOM 1201 O O . LEU A 1 147 ? -13.801 -3.437 9.165 1.00 95.62 147 A 1 ATOM 1202 C CB . LEU A 1 147 ? -14.957 -5.500 7.399 1.00 95.88 147 A 1 ATOM 1203 C CG . LEU A 1 147 ? -16.456 -5.149 7.485 1.00 95.26 147 A 1 ATOM 1204 C CD1 . LEU A 1 147 ? -17.078 -5.152 6.092 1.00 90.60 147 A 1 ATOM 1205 C CD2 . LEU A 1 147 ? -17.201 -6.156 8.346 1.00 90.77 147 A 1 ATOM 1206 N N . HIS A 1 148 ? -14.610 -2.027 7.638 1.00 96.05 148 A 1 ATOM 1207 C CA . HIS A 1 148 ? -14.911 -0.929 8.560 1.00 95.90 148 A 1 ATOM 1208 C C . HIS A 1 148 ? -16.376 -1.030 8.991 1.00 96.37 148 A 1 ATOM 1209 O O . HIS A 1 148 ? -17.278 -0.845 8.171 1.00 95.69 148 A 1 ATOM 1210 C CB . HIS A 1 148 ? -14.597 0.399 7.871 1.00 95.11 148 A 1 ATOM 1211 C CG . HIS A 1 148 ? -13.125 0.583 7.617 1.00 94.10 148 A 1 ATOM 1212 N ND1 . HIS A 1 148 ? -12.262 1.369 8.356 1.00 84.78 148 A 1 ATOM 1213 C CD2 . HIS A 1 148 ? -12.380 -0.015 6.636 1.00 85.61 148 A 1 ATOM 1214 C CE1 . HIS A 1 148 ? -11.039 1.261 7.820 1.00 86.50 148 A 1 ATOM 1215 N NE2 . HIS A 1 148 ? -11.063 0.414 6.775 1.00 88.32 148 A 1 ATOM 1216 N N . ALA A 1 149 ? -16.612 -1.362 10.259 1.00 96.88 149 A 1 ATOM 1217 C CA . ALA A 1 149 ? -17.939 -1.657 10.773 1.00 96.96 149 A 1 ATOM 1218 C C . ALA A 1 149 ? -18.867 -0.431 10.677 1.00 96.72 149 A 1 ATOM 1219 O O . ALA A 1 149 ? -18.496 0.691 11.034 1.00 95.83 149 A 1 ATOM 1220 C CB . ALA A 1 149 ? -17.823 -2.183 12.208 1.00 96.74 149 A 1 ATOM 1221 N N . VAL A 1 150 ? -20.079 -0.680 10.202 1.00 97.16 150 A 1 ATOM 1222 C CA . VAL A 1 150 ? -21.193 0.275 10.153 1.00 97.18 150 A 1 ATOM 1223 C C . VAL A 1 150 ? -22.290 -0.148 11.127 1.00 97.03 150 A 1 ATOM 1224 O O . VAL A 1 150 ? -22.842 0.687 11.839 1.00 95.50 150 A 1 ATOM 1225 C CB . VAL A 1 150 ? -21.754 0.373 8.722 1.00 96.60 150 A 1 ATOM 1226 C CG1 . VAL A 1 150 ? -23.022 1.236 8.660 1.00 94.14 150 A 1 ATOM 1227 C CG2 . VAL A 1 150 ? -20.734 0.983 7.756 1.00 94.10 150 A 1 ATOM 1228 N N . SER A 1 151 ? -22.599 -1.443 11.188 1.00 96.95 151 A 1 ATOM 1229 C CA . SER A 1 151 ? -23.491 -2.002 12.200 1.00 96.48 151 A 1 ATOM 1230 C C . SER A 1 151 ? -22.854 -1.946 13.591 1.00 96.11 151 A 1 ATOM 1231 O O . SER A 1 151 ? -21.641 -1.789 13.737 1.00 94.95 151 A 1 ATOM 1232 C CB . SER A 1 151 ? -23.877 -3.442 11.842 1.00 96.11 151 A 1 ATOM 1233 O OG . SER A 1 151 ? -22.756 -4.296 11.869 1.00 94.61 151 A 1 ATOM 1234 N N . LYS A 1 152 ? -23.674 -2.117 14.625 1.00 96.24 152 A 1 ATOM 1235 C CA . LYS A 1 152 ? -23.161 -2.331 15.985 1.00 95.10 152 A 1 ATOM 1236 C C . LYS A 1 152 ? -22.248 -3.557 15.984 1.00 95.53 152 A 1 ATOM 1237 O O . LYS A 1 152 ? -22.654 -4.610 15.509 1.00 94.29 152 A 1 ATOM 1238 C CB . LYS A 1 152 ? -24.335 -2.489 16.961 1.00 93.53 152 A 1 ATOM 1239 C CG . LYS A 1 152 ? -23.861 -2.529 18.425 1.00 82.99 152 A 1 ATOM 1240 C CD . LYS A 1 152 ? -25.053 -2.646 19.381 1.00 78.23 152 A 1 ATOM 1241 C CE . LYS A 1 152 ? -24.562 -2.668 20.834 1.00 70.16 152 A 1 ATOM 1242 N NZ . LYS A 1 152 ? -25.687 -2.802 21.795 1.00 60.56 152 A 1 ATOM 1243 N N . ALA A 1 153 ? -21.032 -3.397 16.511 1.00 95.17 153 A 1 ATOM 1244 C CA . ALA A 1 153 ? -20.000 -4.426 16.510 1.00 95.28 153 A 1 ATOM 1245 C C . ALA A 1 153 ? -19.049 -4.231 17.693 1.00 95.16 153 A 1 ATOM 1246 O O . ALA A 1 153 ? -18.891 -3.117 18.194 1.00 93.52 153 A 1 ATOM 1247 C CB . ALA A 1 153 ? -19.250 -4.342 15.177 1.00 95.00 153 A 1 ATOM 1248 N N . THR A 1 154 ? -18.373 -5.309 18.093 1.00 95.52 154 A 1 ATOM 1249 C CA . THR A 1 154 ? -17.382 -5.300 19.183 1.00 94.66 154 A 1 ATOM 1250 C C . THR A 1 154 ? -16.130 -4.494 18.813 1.00 94.82 154 A 1 ATOM 1251 O O . THR A 1 154 ? -15.491 -3.891 19.675 1.00 92.80 154 A 1 ATOM 1252 C CB . THR A 1 154 ? -16.985 -6.746 19.530 1.00 93.41 154 A 1 ATOM 1253 O OG1 . THR A 1 154 ? -18.133 -7.521 19.767 1.00 85.89 154 A 1 ATOM 1254 C CG2 . THR A 1 154 ? -16.126 -6.840 20.794 1.00 83.15 154 A 1 ATOM 1255 N N . GLN A 1 155 ? -15.773 -4.452 17.526 1.00 95.28 155 A 1 ATOM 1256 C CA . GLN A 1 155 ? -14.611 -3.724 17.007 1.00 95.34 155 A 1 ATOM 1257 C C . GLN A 1 155 ? -15.024 -2.771 15.879 1.00 96.21 155 A 1 ATOM 1258 O O . GLN A 1 155 ? -15.937 -3.055 15.106 1.00 95.72 155 A 1 ATOM 1259 C CB . GLN A 1 155 ? -13.526 -4.713 16.522 1.00 94.15 155 A 1 ATOM 1260 C CG . GLN A 1 155 ? -13.034 -5.633 17.653 1.00 90.01 155 A 1 ATOM 1261 C CD . GLN A 1 155 ? -11.957 -6.644 17.260 1.00 88.79 155 A 1 ATOM 1262 O OE1 . GLN A 1 155 ? -11.529 -6.828 16.134 1.00 81.31 155 A 1 ATOM 1263 N NE2 . GLN A 1 155 ? -11.470 -7.401 18.226 1.00 78.66 155 A 1 ATOM 1264 N N . SER A 1 156 ? -14.314 -1.660 15.738 1.00 95.63 156 A 1 ATOM 1265 C CA . SER A 1 156 ? -14.580 -0.685 14.667 1.00 95.78 156 A 1 ATOM 1266 C C . SER A 1 156 ? -14.122 -1.156 13.279 1.00 96.32 156 A 1 ATOM 1267 O O . SER A 1 156 ? -14.601 -0.645 12.264 1.00 95.17 156 A 1 ATOM 1268 C CB . SER A 1 156 ? -13.905 0.646 15.011 1.00 94.94 156 A 1 ATOM 1269 O OG . SER A 1 156 ? -12.511 0.473 15.188 1.00 88.12 156 A 1 ATOM 1270 N N . LYS A 1 157 ? -13.185 -2.120 13.225 1.00 96.51 157 A 1 ATOM 1271 C CA . LYS A 1 157 ? -12.678 -2.716 11.982 1.00 96.34 157 A 1 ATOM 1272 C C . LYS A 1 157 ? -12.210 -4.156 12.173 1.00 96.82 157 A 1 ATOM 1273 O O . LYS A 1 157 ? -11.720 -4.528 13.238 1.00 95.93 157 A 1 ATOM 1274 C CB . LYS A 1 157 ? -11.579 -1.828 11.366 1.00 94.25 157 A 1 ATOM 1275 C CG . LYS A 1 157 ? -10.308 -1.706 12.228 1.00 87.43 157 A 1 ATOM 1276 C CD . LYS A 1 157 ? -9.278 -0.799 11.540 1.00 87.25 157 A 1 ATOM 1277 C CE . LYS A 1 157 ? -7.993 -0.700 12.372 1.00 78.24 157 A 1 ATOM 1278 N NZ . LYS A 1 157 ? -6.977 0.153 11.702 1.00 72.38 157 A 1 ATOM 1279 N N . TYR A 1 158 ? -12.312 -4.946 11.100 1.00 96.79 158 A 1 ATOM 1280 C CA . TYR A 1 158 ? -11.950 -6.361 11.061 1.00 96.78 158 A 1 ATOM 1281 C C . TYR A 1 158 ? -11.079 -6.641 9.840 1.00 96.64 158 A 1 ATOM 1282 O O . TYR A 1 158 ? -11.419 -6.225 8.734 1.00 95.54 158 A 1 ATOM 1283 C CB . TYR A 1 158 ? -13.212 -7.229 11.015 1.00 96.71 158 A 1 ATOM 1284 C CG . TYR A 1 158 ? -14.115 -7.062 12.221 1.00 97.04 158 A 1 ATOM 1285 C CD1 . TYR A 1 158 ? -14.057 -7.979 13.292 1.00 94.53 158 A 1 ATOM 1286 C CD2 . TYR A 1 158 ? -15.000 -5.970 12.277 1.00 95.04 158 A 1 ATOM 1287 C CE1 . TYR A 1 158 ? -14.876 -7.798 14.420 1.00 94.23 158 A 1 ATOM 1288 C CE2 . TYR A 1 158 ? -15.810 -5.780 13.407 1.00 94.73 158 A 1 ATOM 1289 C CZ . TYR A 1 158 ? -15.746 -6.691 14.480 1.00 96.22 158 A 1 ATOM 1290 O OH . TYR A 1 158 ? -16.517 -6.484 15.564 1.00 95.18 158 A 1 ATOM 1291 N N . LYS A 1 159 ? -9.970 -7.377 10.022 1.00 96.14 159 A 1 ATOM 1292 C CA . LYS A 1 159 ? -9.155 -7.869 8.905 1.00 95.89 159 A 1 ATOM 1293 C C . LYS A 1 159 ? -9.873 -9.060 8.268 1.00 95.95 159 A 1 ATOM 1294 O O . LYS A 1 159 ? -10.097 -10.057 8.952 1.00 94.98 159 A 1 ATOM 1295 C CB . LYS A 1 159 ? -7.744 -8.215 9.402 1.00 95.07 159 A 1 ATOM 1296 C CG . LYS A 1 159 ? -6.792 -8.468 8.224 1.00 90.56 159 A 1 ATOM 1297 C CD . LYS A 1 159 ? -5.347 -8.676 8.703 1.00 85.69 159 A 1 ATOM 1298 C CE . LYS A 1 159 ? -4.433 -8.848 7.486 1.00 79.84 159 A 1 ATOM 1299 N NZ . LYS A 1 159 ? -3.006 -9.010 7.856 1.00 70.87 159 A 1 ATOM 1300 N N . LEU A 1 160 ? -10.220 -8.959 6.988 1.00 94.30 160 A 1 ATOM 1301 C CA . LEU A 1 160 ? -11.014 -9.980 6.290 1.00 93.94 160 A 1 ATOM 1302 C C . LEU A 1 160 ? -10.275 -11.316 6.138 1.00 94.21 160 A 1 ATOM 1303 O O . LEU A 1 160 ? -10.912 -12.362 6.128 1.00 92.41 160 A 1 ATOM 1304 C CB . LEU A 1 160 ? -11.447 -9.431 4.920 1.00 93.05 160 A 1 ATOM 1305 C CG . LEU A 1 160 ? -12.501 -8.309 5.005 1.00 91.97 160 A 1 ATOM 1306 C CD1 . LEU A 1 160 ? -12.732 -7.716 3.620 1.00 88.82 160 A 1 ATOM 1307 C CD2 . LEU A 1 160 ? -13.845 -8.824 5.530 1.00 88.60 160 A 1 ATOM 1308 N N . SER A 1 161 ? -8.938 -11.285 6.089 1.00 93.69 161 A 1 ATOM 1309 C CA . SER A 1 161 ? -8.097 -12.488 6.033 1.00 93.48 161 A 1 ATOM 1310 C C . SER A 1 161 ? -7.806 -13.118 7.402 1.00 93.79 161 A 1 ATOM 1311 O O . SER A 1 161 ? -6.943 -13.989 7.499 1.00 91.89 161 A 1 ATOM 1312 C CB . SER A 1 161 ? -6.789 -12.163 5.298 1.00 93.38 161 A 1 ATOM 1313 O OG . SER A 1 161 ? -5.989 -11.273 6.053 1.00 90.50 161 A 1 ATOM 1314 N N . ALA A 1 162 ? -8.412 -12.643 8.488 1.00 93.43 162 A 1 ATOM 1315 C CA . ALA A 1 162 ? -8.149 -13.183 9.817 1.00 93.13 162 A 1 ATOM 1316 C C . ALA A 1 162 ? -8.896 -14.508 10.039 1.00 93.23 162 A 1 ATOM 1317 O O . ALA A 1 162 ? -10.084 -14.602 9.743 1.00 91.12 162 A 1 ATOM 1318 C CB . ALA A 1 162 ? -8.525 -12.136 10.876 1.00 93.10 162 A 1 ATOM 1319 N N . ASN A 1 163 ? -8.245 -15.477 10.696 1.00 93.41 163 A 1 ATOM 1320 C CA . ASN A 1 163 ? -8.823 -16.804 10.989 1.00 92.25 163 A 1 ATOM 1321 C C . ASN A 1 163 ? -10.126 -16.762 11.812 1.00 92.99 163 A 1 ATOM 1322 O O . ASN A 1 163 ? -10.889 -17.717 11.812 1.00 90.36 163 A 1 ATOM 1323 C CB . ASN A 1 163 ? -7.776 -17.648 11.748 1.00 90.47 163 A 1 ATOM 1324 C CG . ASN A 1 163 ? -6.528 -17.949 10.940 1.00 83.36 163 A 1 ATOM 1325 O OD1 . ASN A 1 163 ? -6.450 -17.719 9.748 1.00 75.21 163 A 1 ATOM 1326 N ND2 . ASN A 1 163 ? -5.487 -18.440 11.571 1.00 73.13 163 A 1 ATOM 1327 N N . LYS A 1 164 ? -10.390 -15.665 12.525 1.00 94.17 164 A 1 ATOM 1328 C CA . LYS A 1 164 ? -11.635 -15.474 13.284 1.00 94.38 164 A 1 ATOM 1329 C C . LYS A 1 164 ? -12.852 -15.147 12.412 1.00 95.63 164 A 1 ATOM 1330 O O . LYS A 1 164 ? -13.961 -15.125 12.932 1.00 93.99 164 A 1 ATOM 1331 C CB . LYS A 1 164 ? -11.430 -14.422 14.391 1.00 91.98 164 A 1 ATOM 1332 C CG . LYS A 1 164 ? -11.192 -13.003 13.850 1.00 84.75 164 A 1 ATOM 1333 C CD . LYS A 1 164 ? -11.150 -11.978 14.993 1.00 85.57 164 A 1 ATOM 1334 C CE . LYS A 1 164 ? -11.008 -10.566 14.422 1.00 76.79 164 A 1 ATOM 1335 N NZ . LYS A 1 164 ? -11.172 -9.528 15.467 1.00 70.66 164 A 1 ATOM 1336 N N . VAL A 1 165 ? -12.655 -14.836 11.128 1.00 93.20 165 A 1 ATOM 1337 C CA . VAL A 1 165 ? -13.738 -14.560 10.175 1.00 92.97 165 A 1 ATOM 1338 C C . VAL A 1 165 ? -14.170 -15.882 9.548 1.00 93.36 165 A 1 ATOM 1339 O O . VAL A 1 165 ? -13.437 -16.453 8.755 1.00 92.02 165 A 1 ATOM 1340 C CB . VAL A 1 165 ? -13.312 -13.535 9.105 1.00 92.75 165 A 1 ATOM 1341 C CG1 . VAL A 1 165 ? -14.467 -13.242 8.139 1.00 88.63 165 A 1 ATOM 1342 C CG2 . VAL A 1 165 ? -12.882 -12.205 9.739 1.00 87.52 165 A 1 ATOM 1343 N N . GLU A 1 166 ? -15.353 -16.366 9.902 1.00 94.12 166 A 1 ATOM 1344 C CA . GLU A 1 166 ? -15.872 -17.661 9.436 1.00 93.57 166 A 1 ATOM 1345 C C . GLU A 1 166 ? -16.652 -17.557 8.124 1.00 93.58 166 A 1 ATOM 1346 O O . GLU A 1 166 ? -16.696 -18.502 7.345 1.00 90.76 166 A 1 ATOM 1347 C CB . GLU A 1 166 ? -16.817 -18.253 10.489 1.00 92.24 166 A 1 ATOM 1348 C CG . GLU A 1 166 ? -16.105 -18.641 11.785 1.00 88.31 166 A 1 ATOM 1349 C CD . GLU A 1 166 ? -17.043 -19.368 12.756 1.00 88.05 166 A 1 ATOM 1350 O OE1 . GLU A 1 166 ? -16.526 -19.978 13.712 1.00 80.03 166 A 1 ATOM 1351 O OE2 . GLU A 1 166 ? -18.286 -19.270 12.598 1.00 81.65 166 A 1 ATOM 1352 N N . MET A 1 167 ? -17.301 -16.419 7.900 1.00 94.70 167 A 1 ATOM 1353 C CA . MET A 1 167 ? -18.093 -16.169 6.702 1.00 94.65 167 A 1 ATOM 1354 C C . MET A 1 167 ? -17.914 -14.724 6.272 1.00 94.77 167 A 1 ATOM 1355 O O . MET A 1 167 ? -17.865 -13.820 7.114 1.00 93.53 167 A 1 ATOM 1356 C CB . MET A 1 167 ? -19.564 -16.542 6.965 1.00 93.31 167 A 1 ATOM 1357 C CG . MET A 1 167 ? -20.520 -16.273 5.790 1.00 87.41 167 A 1 ATOM 1358 S SD . MET A 1 167 ? -21.167 -14.587 5.645 1.00 83.06 167 A 1 ATOM 1359 C CE . MET A 1 167 ? -22.303 -14.519 7.056 1.00 71.18 167 A 1 ATOM 1360 N N . GLN A 1 168 ? -17.847 -14.502 4.958 1.00 95.30 168 A 1 ATOM 1361 C CA . GLN A 1 168 ? -17.875 -13.179 4.352 1.00 94.34 168 A 1 ATOM 1362 C C . GLN A 1 168 ? -18.710 -13.206 3.068 1.00 94.45 168 A 1 ATOM 1363 O O . GLN A 1 168 ? -18.557 -14.095 2.232 1.00 92.50 168 A 1 ATOM 1364 C CB . GLN A 1 168 ? -16.446 -12.653 4.128 1.00 91.26 168 A 1 ATOM 1365 C CG . GLN A 1 168 ? -15.550 -13.558 3.258 1.00 86.61 168 A 1 ATOM 1366 C CD . GLN A 1 168 ? -14.120 -13.031 3.129 1.00 87.95 168 A 1 ATOM 1367 O OE1 . GLN A 1 168 ? -13.814 -11.880 3.404 1.00 81.27 168 A 1 ATOM 1368 N NE2 . GLN A 1 168 ? -13.184 -13.835 2.691 1.00 78.87 168 A 1 ATOM 1369 N N . LYS A 1 169 ? -19.598 -12.218 2.919 1.00 94.37 169 A 1 ATOM 1370 C CA . LYS A 1 169 ? -20.343 -11.930 1.688 1.00 94.07 169 A 1 ATOM 1371 C C . LYS A 1 169 ? -20.099 -10.481 1.280 1.00 94.44 169 A 1 ATOM 1372 O O . LYS A 1 169 ? -20.070 -9.602 2.140 1.00 93.13 169 A 1 ATOM 1373 C CB . LYS A 1 169 ? -21.841 -12.195 1.871 1.00 93.31 169 A 1 ATOM 1374 C CG . LYS A 1 169 ? -22.229 -13.683 1.911 1.00 87.51 169 A 1 ATOM 1375 C CD . LYS A 1 169 ? -23.762 -13.785 1.848 1.00 84.45 169 A 1 ATOM 1376 C CE . LYS A 1 169 ? -24.309 -15.205 1.734 1.00 79.21 169 A 1 ATOM 1377 N NZ . LYS A 1 169 ? -25.774 -15.174 1.459 1.00 70.01 169 A 1 ATOM 1378 N N . HIS A 1 170 ? -19.924 -10.244 -0.013 1.00 93.00 170 A 1 ATOM 1379 C CA . HIS A 1 170 ? -19.640 -8.925 -0.578 1.00 92.23 170 A 1 ATOM 1380 C C . HIS A 1 170 ? -20.760 -8.508 -1.529 1.00 92.53 170 A 1 ATOM 1381 O O . HIS A 1 170 ? -21.267 -9.336 -2.279 1.00 91.01 170 A 1 ATOM 1382 C CB . HIS A 1 170 ? -18.277 -8.943 -1.287 1.00 90.44 170 A 1 ATOM 1383 C CG . HIS A 1 170 ? -17.147 -9.414 -0.401 1.00 89.36 170 A 1 ATOM 1384 N ND1 . HIS A 1 170 ? -16.836 -8.911 0.842 1.00 82.00 170 A 1 ATOM 1385 C CD2 . HIS A 1 170 ? -16.279 -10.450 -0.641 1.00 81.75 170 A 1 ATOM 1386 C CE1 . HIS A 1 170 ? -15.813 -9.631 1.340 1.00 82.94 170 A 1 ATOM 1387 N NE2 . HIS A 1 170 ? -15.436 -10.572 0.467 1.00 83.88 170 A 1 ATOM 1388 N N . TYR A 1 171 ? -21.104 -7.226 -1.495 1.00 90.32 171 A 1 ATOM 1389 C CA . TYR A 1 171 ? -22.148 -6.610 -2.307 1.00 90.25 171 A 1 ATOM 1390 C C . TYR A 1 171 ? -21.625 -5.278 -2.839 1.00 89.86 171 A 1 ATOM 1391 O O . TYR A 1 171 ? -20.917 -4.566 -2.121 1.00 87.49 171 A 1 ATOM 1392 C CB . TYR A 1 171 ? -23.405 -6.384 -1.455 1.00 91.77 171 A 1 ATOM 1393 C CG . TYR A 1 171 ? -23.978 -7.636 -0.815 1.00 93.33 171 A 1 ATOM 1394 C CD1 . TYR A 1 171 ? -24.980 -8.371 -1.478 1.00 89.03 171 A 1 ATOM 1395 C CD2 . TYR A 1 171 ? -23.501 -8.073 0.437 1.00 90.16 171 A 1 ATOM 1396 C CE1 . TYR A 1 171 ? -25.505 -9.539 -0.895 1.00 88.94 171 A 1 ATOM 1397 C CE2 . TYR A 1 171 ? -24.021 -9.248 1.020 1.00 90.16 171 A 1 ATOM 1398 C CZ . TYR A 1 171 ? -25.022 -9.979 0.353 1.00 93.50 171 A 1 ATOM 1399 O OH . TYR A 1 171 ? -25.514 -11.112 0.913 1.00 93.17 171 A 1 ATOM 1400 N N . SER A 1 172 ? -21.972 -4.904 -4.062 1.00 90.17 172 A 1 ATOM 1401 C CA . SER A 1 172 ? -21.745 -3.531 -4.509 1.00 89.02 172 A 1 ATOM 1402 C C . SER A 1 172 ? -22.623 -2.559 -3.701 1.00 89.00 172 A 1 ATOM 1403 O O . SER A 1 172 ? -23.586 -2.955 -3.040 1.00 87.61 172 A 1 ATOM 1404 C CB . SER A 1 172 ? -21.987 -3.409 -6.023 1.00 86.53 172 A 1 ATOM 1405 O OG . SER A 1 172 ? -23.371 -3.402 -6.283 1.00 78.04 172 A 1 ATOM 1406 N N . LEU A 1 173 ? -22.294 -1.261 -3.724 1.00 87.72 173 A 1 ATOM 1407 C CA . LEU A 1 173 ? -23.160 -0.248 -3.091 1.00 86.24 173 A 1 ATOM 1408 C C . LEU A 1 173 ? -24.567 -0.211 -3.708 1.00 87.13 173 A 1 ATOM 1409 O O . LEU A 1 173 ? -25.540 0.080 -3.008 1.00 85.45 173 A 1 ATOM 1410 C CB . LEU A 1 173 ? -22.503 1.136 -3.225 1.00 84.18 173 A 1 ATOM 1411 C CG . LEU A 1 173 ? -21.410 1.419 -2.185 1.00 78.71 173 A 1 ATOM 1412 C CD1 . LEU A 1 173 ? -20.686 2.710 -2.575 1.00 75.04 173 A 1 ATOM 1413 C CD2 . LEU A 1 173 ? -21.989 1.623 -0.781 1.00 74.13 173 A 1 ATOM 1414 N N . GLU A 1 174 ? -24.663 -0.515 -4.995 1.00 86.34 174 A 1 ATOM 1415 C CA . GLU A 1 174 ? -25.915 -0.565 -5.753 1.00 86.34 174 A 1 ATOM 1416 C C . GLU A 1 174 ? -26.779 -1.763 -5.329 1.00 88.51 174 A 1 ATOM 1417 O O . GLU A 1 174 ? -28.004 -1.653 -5.241 1.00 86.94 174 A 1 ATOM 1418 C CB . GLU A 1 174 ? -25.585 -0.605 -7.252 1.00 83.14 174 A 1 ATOM 1419 C CG . GLU A 1 174 ? -24.800 0.656 -7.682 1.00 76.80 174 A 1 ATOM 1420 C CD . GLU A 1 174 ? -24.416 0.677 -9.171 1.00 70.33 174 A 1 ATOM 1421 O OE1 . GLU A 1 174 ? -23.742 1.660 -9.549 1.00 63.33 174 A 1 ATOM 1422 O OE2 . GLU A 1 174 ? -24.793 -0.264 -9.898 1.00 61.66 174 A 1 ATOM 1423 N N . ASP A 1 175 ? -26.136 -2.868 -4.916 1.00 88.93 175 A 1 ATOM 1424 C CA . ASP A 1 175 ? -26.795 -4.110 -4.492 1.00 89.94 175 A 1 ATOM 1425 C C . ASP A 1 175 ? -27.222 -4.114 -3.016 1.00 92.07 175 A 1 ATOM 1426 O O . ASP A 1 175 ? -27.455 -5.173 -2.416 1.00 90.98 175 A 1 ATOM 1427 C CB . ASP A 1 175 ? -25.911 -5.321 -4.812 1.00 87.16 175 A 1 ATOM 1428 C CG . ASP A 1 175 ? -25.666 -5.492 -6.306 1.00 80.32 175 A 1 ATOM 1429 O OD1 . ASP A 1 175 ? -26.658 -5.416 -7.062 1.00 75.51 175 A 1 ATOM 1430 O OD2 . ASP A 1 175 ? -24.481 -5.694 -6.644 1.00 73.96 175 A 1 ATOM 1431 N N . TYR A 1 176 ? -27.362 -2.939 -2.396 1.00 92.07 176 A 1 ATOM 1432 C CA . TYR A 1 176 ? -27.827 -2.865 -1.000 1.00 93.04 176 A 1 ATOM 1433 C C . TYR A 1 176 ? -29.184 -3.562 -0.779 1.00 94.26 176 A 1 ATOM 1434 O O . TYR A 1 176 ? -29.453 -4.101 0.300 1.00 94.06 176 A 1 ATOM 1435 C CB . TYR A 1 176 ? -27.907 -1.395 -0.568 1.00 92.61 176 A 1 ATOM 1436 C CG . TYR A 1 176 ? -28.371 -1.216 0.868 1.00 92.76 176 A 1 ATOM 1437 C CD1 . TYR A 1 176 ? -29.673 -0.752 1.144 1.00 88.79 176 A 1 ATOM 1438 C CD2 . TYR A 1 176 ? -27.511 -1.557 1.930 1.00 89.01 176 A 1 ATOM 1439 C CE1 . TYR A 1 176 ? -30.102 -0.609 2.478 1.00 87.74 176 A 1 ATOM 1440 C CE2 . TYR A 1 176 ? -27.941 -1.417 3.265 1.00 87.93 176 A 1 ATOM 1441 C CZ . TYR A 1 176 ? -29.239 -0.939 3.540 1.00 90.71 176 A 1 ATOM 1442 O OH . TYR A 1 176 ? -29.654 -0.790 4.825 1.00 89.02 176 A 1 ATOM 1443 N N . SER A 1 177 ? -30.045 -3.586 -1.793 1.00 93.92 177 A 1 ATOM 1444 C CA . SER A 1 177 ? -31.305 -4.335 -1.758 1.00 93.87 177 A 1 ATOM 1445 C C . SER A 1 177 ? -31.077 -5.845 -1.622 1.00 95.08 177 A 1 ATOM 1446 O O . SER A 1 177 ? -31.745 -6.481 -0.798 1.00 94.73 177 A 1 ATOM 1447 C CB . SER A 1 177 ? -32.126 -4.030 -3.018 1.00 92.49 177 A 1 ATOM 1448 O OG . SER A 1 177 ? -31.382 -4.361 -4.177 1.00 80.93 177 A 1 ATOM 1449 N N . ALA A 1 178 ? -30.091 -6.408 -2.333 1.00 94.49 178 A 1 ATOM 1450 C CA . ALA A 1 178 ? -29.707 -7.815 -2.221 1.00 94.80 178 A 1 ATOM 1451 C C . ALA A 1 178 ? -29.129 -8.124 -0.830 1.00 95.74 178 A 1 ATOM 1452 O O . ALA A 1 178 ? -29.561 -9.077 -0.182 1.00 95.18 178 A 1 ATOM 1453 C CB . ALA A 1 178 ? -28.719 -8.156 -3.344 1.00 94.14 178 A 1 ATOM 1454 N N . LEU A 1 179 ? -28.253 -7.245 -0.315 1.00 95.39 179 A 1 ATOM 1455 C CA . LEU A 1 179 ? -27.723 -7.369 1.046 1.00 95.78 179 A 1 ATOM 1456 C C . LEU A 1 179 ? -28.855 -7.432 2.083 1.00 96.44 179 A 1 ATOM 1457 O O . LEU A 1 179 ? -28.865 -8.308 2.942 1.00 96.33 179 A 1 ATOM 1458 C CB . LEU A 1 179 ? -26.755 -6.202 1.315 1.00 95.51 179 A 1 ATOM 1459 C CG . LEU A 1 179 ? -26.037 -6.250 2.684 1.00 95.27 179 A 1 ATOM 1460 C CD1 . LEU A 1 179 ? -24.760 -5.421 2.620 1.00 90.91 179 A 1 ATOM 1461 C CD2 . LEU A 1 179 ? -26.864 -5.684 3.847 1.00 90.51 179 A 1 ATOM 1462 N N . THR A 1 180 ? -29.818 -6.513 2.010 1.00 95.50 180 A 1 ATOM 1463 C CA . THR A 1 180 ? -30.923 -6.451 2.982 1.00 95.61 180 A 1 ATOM 1464 C C . THR A 1 180 ? -31.959 -7.563 2.821 1.00 96.26 180 A 1 ATOM 1465 O O . THR A 1 180 ? -32.737 -7.807 3.747 1.00 95.42 180 A 1 ATOM 1466 C CB . THR A 1 180 ? -31.635 -5.097 2.956 1.00 94.50 180 A 1 ATOM 1467 O OG1 . THR A 1 180 ? -32.125 -4.773 1.679 1.00 87.67 180 A 1 ATOM 1468 C CG2 . THR A 1 180 ? -30.719 -3.964 3.418 1.00 85.94 180 A 1 ATOM 1469 N N . LYS A 1 181 ? -31.990 -8.227 1.656 1.00 96.25 181 A 1 ATOM 1470 C CA . LYS A 1 181 ? -32.770 -9.449 1.442 1.00 96.07 181 A 1 ATOM 1471 C C . LYS A 1 181 ? -32.129 -10.632 2.164 1.00 96.53 181 A 1 ATOM 1472 O O . LYS A 1 181 ? -32.839 -11.368 2.840 1.00 95.79 181 A 1 ATOM 1473 C CB . LYS A 1 181 ? -32.916 -9.692 -0.067 1.00 95.76 181 A 1 ATOM 1474 C CG . LYS A 1 181 ? -33.816 -10.894 -0.384 1.00 84.42 181 A 1 ATOM 1475 C CD . LYS A 1 181 ? -33.897 -11.113 -1.899 1.00 83.16 181 A 1 ATOM 1476 C CE . LYS A 1 181 ? -34.759 -12.343 -2.204 1.00 74.87 181 A 1 ATOM 1477 N NZ . LYS A 1 181 ? -34.793 -12.632 -3.662 1.00 65.41 181 A 1 ATOM 1478 N N . ASP A 1 182 ? -30.802 -10.761 2.060 1.00 96.66 182 A 1 ATOM 1479 C CA . ASP A 1 182 ? -30.029 -11.815 2.726 1.00 96.60 182 A 1 ATOM 1480 C C . ASP A 1 182 ? -29.904 -11.588 4.244 1.00 97.14 182 A 1 ATOM 1481 O O . ASP A 1 182 ? -29.911 -12.544 5.016 1.00 96.18 182 A 1 ATOM 1482 C CB . ASP A 1 182 ? -28.625 -11.886 2.097 1.00 95.86 182 A 1 ATOM 1483 C CG . ASP A 1 182 ? -28.547 -12.687 0.791 1.00 94.86 182 A 1 ATOM 1484 O OD1 . ASP A 1 182 ? -29.589 -12.912 0.136 1.00 90.71 182 A 1 ATOM 1485 O OD2 . ASP A 1 182 ? -27.413 -13.170 0.504 1.00 90.89 182 A 1 ATOM 1486 N N . PHE A 1 183 ? -29.802 -10.316 4.664 1.00 96.98 183 A 1 ATOM 1487 C CA . PHE A 1 183 ? -29.601 -9.893 6.051 1.00 96.77 183 A 1 ATOM 1488 C C . PHE A 1 183 ? -30.610 -8.791 6.440 1.00 97.00 183 A 1 ATOM 1489 O O . PHE A 1 183 ? -30.289 -7.595 6.424 1.00 96.19 183 A 1 ATOM 1490 C CB . PHE A 1 183 ? -28.147 -9.441 6.234 1.00 96.56 183 A 1 ATOM 1491 C CG . PHE A 1 183 ? -27.116 -10.505 5.910 1.00 96.76 183 A 1 ATOM 1492 C CD1 . PHE A 1 183 ? -26.789 -11.490 6.858 1.00 94.55 183 A 1 ATOM 1493 C CD2 . PHE A 1 183 ? -26.494 -10.521 4.647 1.00 94.98 183 A 1 ATOM 1494 C CE1 . PHE A 1 183 ? -25.842 -12.481 6.551 1.00 94.27 183 A 1 ATOM 1495 C CE2 . PHE A 1 183 ? -25.547 -11.515 4.337 1.00 94.63 183 A 1 ATOM 1496 C CZ . PHE A 1 183 ? -25.221 -12.494 5.289 1.00 95.34 183 A 1 ATOM 1497 N N . PRO A 1 184 ? -31.852 -9.168 6.781 1.00 96.94 184 A 1 ATOM 1498 C CA . PRO A 1 184 ? -32.924 -8.212 7.093 1.00 96.67 184 A 1 ATOM 1499 C C . PRO A 1 184 ? -32.623 -7.259 8.258 1.00 96.44 184 A 1 ATOM 1500 O O . PRO A 1 184 ? -33.168 -6.154 8.294 1.00 95.25 184 A 1 ATOM 1501 C CB . PRO A 1 184 ? -34.149 -9.077 7.404 1.00 96.42 184 A 1 ATOM 1502 C CG . PRO A 1 184 ? -33.901 -10.363 6.622 1.00 94.95 184 A 1 ATOM 1503 C CD . PRO A 1 184 ? -32.388 -10.522 6.733 1.00 96.89 184 A 1 ATOM 1504 N N . GLU A 1 185 ? -31.746 -7.657 9.182 1.00 96.67 185 A 1 ATOM 1505 C CA . GLU A 1 185 ? -31.292 -6.860 10.326 1.00 95.92 185 A 1 ATOM 1506 C C . GLU A 1 185 ? -30.562 -5.566 9.921 1.00 96.04 185 A 1 ATOM 1507 O O . GLU A 1 185 ? -30.514 -4.613 10.700 1.00 94.61 185 A 1 ATOM 1508 C CB . GLU A 1 185 ? -30.417 -7.733 11.256 1.00 94.53 185 A 1 ATOM 1509 C CG . GLU A 1 185 ? -29.101 -8.277 10.676 1.00 88.01 185 A 1 ATOM 1510 C CD . GLU A 1 185 ? -29.209 -9.667 10.017 1.00 86.95 185 A 1 ATOM 1511 O OE1 . GLU A 1 185 ? -28.245 -10.445 10.150 1.00 78.88 185 A 1 ATOM 1512 O OE2 . GLU A 1 185 ? -30.240 -9.935 9.355 1.00 80.19 185 A 1 ATOM 1513 N N . PHE A 1 186 ? -30.051 -5.470 8.679 1.00 95.76 186 A 1 ATOM 1514 C CA . PHE A 1 186 ? -29.324 -4.298 8.181 1.00 95.38 186 A 1 ATOM 1515 C C . PHE A 1 186 ? -30.164 -3.347 7.308 1.00 94.94 186 A 1 ATOM 1516 O O . PHE A 1 186 ? -29.623 -2.387 6.757 1.00 93.12 186 A 1 ATOM 1517 C CB . PHE A 1 186 ? -28.019 -4.753 7.508 1.00 95.55 186 A 1 ATOM 1518 C CG . PHE A 1 186 ? -27.109 -5.588 8.399 1.00 96.21 186 A 1 ATOM 1519 C CD1 . PHE A 1 186 ? -26.822 -5.193 9.721 1.00 94.07 186 A 1 ATOM 1520 C CD2 . PHE A 1 186 ? -26.555 -6.782 7.902 1.00 94.62 186 A 1 ATOM 1521 C CE1 . PHE A 1 186 ? -26.011 -5.996 10.545 1.00 94.14 186 A 1 ATOM 1522 C CE2 . PHE A 1 186 ? -25.739 -7.581 8.723 1.00 94.50 186 A 1 ATOM 1523 C CZ . PHE A 1 186 ? -25.474 -7.193 10.047 1.00 95.48 186 A 1 ATOM 1524 N N . LYS A 1 187 ? -31.492 -3.533 7.211 1.00 94.57 187 A 1 ATOM 1525 C CA . LYS A 1 187 ? -32.389 -2.718 6.356 1.00 92.48 187 A 1 ATOM 1526 C C . LYS A 1 187 ? -32.323 -1.205 6.614 1.00 91.48 187 A 1 ATOM 1527 O O . LYS A 1 187 ? -32.482 -0.413 5.686 1.00 85.15 187 A 1 ATOM 1528 C CB . LYS A 1 187 ? -33.836 -3.216 6.514 1.00 89.98 187 A 1 ATOM 1529 C CG . LYS A 1 187 ? -34.104 -4.459 5.649 1.00 81.51 187 A 1 ATOM 1530 C CD . LYS A 1 187 ? -35.504 -5.031 5.882 1.00 78.68 187 A 1 ATOM 1531 C CE . LYS A 1 187 ? -35.696 -6.278 5.006 1.00 70.88 187 A 1 ATOM 1532 N NZ . LYS A 1 187 ? -37.032 -6.905 5.192 1.00 62.20 187 A 1 ATOM 1533 N N . ALA A 1 188 ? -32.081 -0.775 7.851 1.00 92.25 188 A 1 ATOM 1534 C CA . ALA A 1 188 ? -32.099 0.640 8.240 1.00 91.90 188 A 1 ATOM 1535 C C . ALA A 1 188 ? -30.718 1.337 8.193 1.00 92.98 188 A 1 ATOM 1536 O O . ALA A 1 188 ? -30.571 2.447 8.708 1.00 90.55 188 A 1 ATOM 1537 C CB . ALA A 1 188 ? -32.788 0.749 9.603 1.00 89.35 188 A 1 ATOM 1538 N N . GLN A 1 189 ? -29.689 0.726 7.577 1.00 94.36 189 A 1 ATOM 1539 C CA . GLN A 1 189 ? -28.295 1.176 7.718 1.00 94.37 189 A 1 ATOM 1540 C C . GLN A 1 189 ? -27.817 2.160 6.632 1.00 94.81 189 A 1 ATOM 1541 O O . GLN A 1 189 ? -26.691 2.643 6.715 1.00 93.29 189 A 1 ATOM 1542 C CB . GLN A 1 189 ? -27.370 -0.049 7.829 1.00 93.87 189 A 1 ATOM 1543 C CG . GLN A 1 189 ? -27.652 -0.914 9.077 1.00 90.97 189 A 1 ATOM 1544 C CD . GLN A 1 189 ? -27.320 -0.237 10.404 1.00 88.34 189 A 1 ATOM 1545 O OE1 . GLN A 1 189 ? -26.615 0.753 10.486 1.00 79.33 189 A 1 ATOM 1546 N NE2 . GLN A 1 189 ? -27.808 -0.758 11.508 1.00 76.45 189 A 1 ATOM 1547 N N . LYS A 1 190 ? -28.645 2.540 5.651 1.00 94.09 190 A 1 ATOM 1548 C CA . LYS A 1 190 ? -28.235 3.433 4.538 1.00 93.24 190 A 1 ATOM 1549 C C . LYS A 1 190 ? -27.573 4.738 5.005 1.00 93.84 190 A 1 ATOM 1550 O O . LYS A 1 190 ? -26.536 5.132 4.481 1.00 92.53 190 A 1 ATOM 1551 C CB . LYS A 1 190 ? -29.430 3.769 3.623 1.00 91.76 190 A 1 ATOM 1552 C CG . LYS A 1 190 ? -29.817 2.606 2.697 1.00 86.21 190 A 1 ATOM 1553 C CD . LYS A 1 190 ? -30.856 3.030 1.647 1.00 81.62 190 A 1 ATOM 1554 C CE . LYS A 1 190 ? -31.136 1.867 0.686 1.00 75.62 190 A 1 ATOM 1555 N NZ . LYS A 1 190 ? -32.010 2.245 -0.456 1.00 67.02 190 A 1 ATOM 1556 N N . ARG A 1 191 ? -28.151 5.416 6.009 1.00 93.52 191 A 1 ATOM 1557 C CA . ARG A 1 191 ? -27.590 6.667 6.553 1.00 93.62 191 A 1 ATOM 1558 C C . ARG A 1 191 ? -26.230 6.443 7.216 1.00 94.60 191 A 1 ATOM 1559 O O . ARG A 1 191 ? -25.331 7.260 7.046 1.00 93.63 191 A 1 ATOM 1560 C CB . ARG A 1 191 ? -28.562 7.314 7.555 1.00 93.23 191 A 1 ATOM 1561 C CG . ARG A 1 191 ? -29.832 7.862 6.892 1.00 83.34 191 A 1 ATOM 1562 C CD . ARG A 1 191 ? -30.709 8.558 7.943 1.00 80.01 191 A 1 ATOM 1563 N NE . ARG A 1 191 ? -31.957 9.096 7.365 1.00 70.52 191 A 1 ATOM 1564 C CZ . ARG A 1 191 ? -32.951 9.658 8.031 1.00 62.65 191 A 1 ATOM 1565 N NH1 . ARG A 1 191 ? -32.930 9.798 9.328 1.00 57.05 191 A 1 ATOM 1566 N NH2 . ARG A 1 191 ? -34.007 10.097 7.403 1.00 54.22 191 A 1 ATOM 1567 N N . ALA A 1 192 ? -26.071 5.348 7.950 1.00 94.00 192 A 1 ATOM 1568 C CA . ALA A 1 192 ? -24.819 4.990 8.612 1.00 94.31 192 A 1 ATOM 1569 C C . ALA A 1 192 ? -23.726 4.621 7.591 1.00 94.69 192 A 1 ATOM 1570 O O . ALA A 1 192 ? -22.588 5.060 7.746 1.00 93.77 192 A 1 ATOM 1571 C CB . ALA A 1 192 ? -25.106 3.860 9.604 1.00 94.78 192 A 1 ATOM 1572 N N . ILE A 1 193 ? -24.081 3.907 6.515 1.00 94.49 193 A 1 ATOM 1573 C CA . ILE A 1 193 ? -23.185 3.608 5.387 1.00 93.37 193 A 1 ATOM 1574 C C . ILE A 1 193 ? -22.687 4.911 4.756 1.00 92.87 193 A 1 ATOM 1575 O O . ILE A 1 193 ? -21.481 5.126 4.693 1.00 91.99 193 A 1 ATOM 1576 C CB . ILE A 1 193 ? -23.884 2.700 4.347 1.00 93.49 193 A 1 ATOM 1577 C CG1 . ILE A 1 193 ? -24.157 1.294 4.932 1.00 92.35 193 A 1 ATOM 1578 C CG2 . ILE A 1 193 ? -23.034 2.566 3.071 1.00 91.86 193 A 1 ATOM 1579 C CD1 . ILE A 1 193 ? -25.218 0.506 4.153 1.00 89.81 193 A 1 ATOM 1580 N N . ASN A 1 194 ? -23.582 5.830 4.388 1.00 92.09 194 A 1 ATOM 1581 C CA . ASN A 1 194 ? -23.205 7.108 3.772 1.00 90.71 194 A 1 ATOM 1582 C C . ASN A 1 194 ? -22.294 7.945 4.682 1.00 90.60 194 A 1 ATOM 1583 O O . ASN A 1 194 ? -21.331 8.549 4.213 1.00 89.82 194 A 1 ATOM 1584 C CB . ASN A 1 194 ? -24.478 7.898 3.415 1.00 90.11 194 A 1 ATOM 1585 C CG . ASN A 1 194 ? -25.268 7.289 2.270 1.00 86.53 194 A 1 ATOM 1586 O OD1 . ASN A 1 194 ? -24.878 6.333 1.630 1.00 79.73 194 A 1 ATOM 1587 N ND2 . ASN A 1 194 ? -26.420 7.834 1.961 1.00 77.40 194 A 1 ATOM 1588 N N . LYS A 1 195 ? -22.574 7.972 5.986 1.00 92.10 195 A 1 ATOM 1589 C CA . LYS A 1 195 ? -21.699 8.628 6.966 1.00 92.02 195 A 1 ATOM 1590 C C . LYS A 1 195 ? -20.316 7.975 6.986 1.00 92.13 195 A 1 ATOM 1591 O O . LYS A 1 195 ? -19.314 8.684 6.927 1.00 91.00 195 A 1 ATOM 1592 C CB . LYS A 1 195 ? -22.365 8.613 8.351 1.00 92.51 195 A 1 ATOM 1593 C CG . LYS A 1 195 ? -21.491 9.352 9.375 1.00 86.30 195 A 1 ATOM 1594 C CD . LYS A 1 195 ? -22.101 9.354 10.779 1.00 83.42 195 A 1 ATOM 1595 C CE . LYS A 1 195 ? -21.077 10.008 11.707 1.00 75.62 195 A 1 ATOM 1596 N NZ . LYS A 1 195 ? -21.495 10.004 13.125 1.00 66.94 195 A 1 ATOM 1597 N N . LYS A 1 196 ? -20.252 6.641 7.027 1.00 93.35 196 A 1 ATOM 1598 C CA . LYS A 1 196 ? -18.986 5.899 7.065 1.00 92.20 196 A 1 ATOM 1599 C C . LYS A 1 196 ? -18.169 6.085 5.793 1.00 91.54 196 A 1 ATOM 1600 O O . LYS A 1 196 ? -16.962 6.276 5.875 1.00 90.35 196 A 1 ATOM 1601 C CB . LYS A 1 196 ? -19.267 4.411 7.339 1.00 92.44 196 A 1 ATOM 1602 C CG . LYS A 1 196 ? -18.002 3.625 7.737 1.00 89.29 196 A 1 ATOM 1603 C CD . LYS A 1 196 ? -17.426 4.200 9.031 1.00 87.96 196 A 1 ATOM 1604 C CE . LYS A 1 196 ? -16.224 3.458 9.565 1.00 85.28 196 A 1 ATOM 1605 N NZ . LYS A 1 196 ? -15.727 4.190 10.755 1.00 79.54 196 A 1 ATOM 1606 N N . MET A 1 197 ? -18.828 6.090 4.646 1.00 90.36 197 A 1 ATOM 1607 C CA . MET A 1 197 ? -18.219 6.405 3.354 1.00 88.18 197 A 1 ATOM 1608 C C . MET A 1 197 ? -17.567 7.786 3.369 1.00 87.65 197 A 1 ATOM 1609 O O . MET A 1 197 ? -16.401 7.925 3.019 1.00 85.99 197 A 1 ATOM 1610 C CB . MET A 1 197 ? -19.300 6.345 2.267 1.00 87.21 197 A 1 ATOM 1611 C CG . MET A 1 197 ? -19.710 4.909 1.939 1.00 81.81 197 A 1 ATOM 1612 S SD . MET A 1 197 ? -18.366 3.894 1.293 1.00 77.77 197 A 1 ATOM 1613 C CE . MET A 1 197 ? -17.953 4.852 -0.186 1.00 66.69 197 A 1 ATOM 1614 N N . LYS A 1 198 ? -18.282 8.802 3.856 1.00 87.03 198 A 1 ATOM 1615 C CA . LYS A 1 198 ? -17.751 10.163 3.981 1.00 84.71 198 A 1 ATOM 1616 C C . LYS A 1 198 ? -16.532 10.236 4.906 1.00 84.37 198 A 1 ATOM 1617 O O . LYS A 1 198 ? -15.606 10.970 4.620 1.00 82.87 198 A 1 ATOM 1618 C CB . LYS A 1 198 ? -18.891 11.106 4.408 1.00 84.31 198 A 1 ATOM 1619 C CG . LYS A 1 198 ? -18.454 12.569 4.297 1.00 76.40 198 A 1 ATOM 1620 C CD . LYS A 1 198 ? -19.587 13.556 4.599 1.00 72.63 198 A 1 ATOM 1621 C CE . LYS A 1 198 ? -19.022 14.971 4.422 1.00 64.30 198 A 1 ATOM 1622 N NZ . LYS A 1 198 ? -20.027 16.034 4.686 1.00 56.09 198 A 1 ATOM 1623 N N . GLU A 1 199 ? -16.507 9.478 5.994 1.00 87.37 199 A 1 ATOM 1624 C CA . GLU A 1 199 ? -15.355 9.402 6.912 1.00 86.80 199 A 1 ATOM 1625 C C . GLU A 1 199 ? -14.132 8.693 6.303 1.00 86.04 199 A 1 ATOM 1626 O O . GLU A 1 199 ? -13.021 8.886 6.785 1.00 83.44 199 A 1 ATOM 1627 C CB . GLU A 1 199 ? -15.761 8.635 8.185 1.00 87.40 199 A 1 ATOM 1628 C CG . GLU A 1 199 ? -16.715 9.388 9.124 1.00 82.38 199 A 1 ATOM 1629 C CD . GLU A 1 199 ? -17.275 8.488 10.249 1.00 80.48 199 A 1 ATOM 1630 O OE1 . GLU A 1 199 ? -18.196 8.954 10.965 1.00 74.56 199 A 1 ATOM 1631 O OE2 . GLU A 1 199 ? -16.833 7.319 10.409 1.00 76.50 199 A 1 ATOM 1632 N N . MET A 1 200 ? -14.322 7.815 5.318 1.00 85.21 200 A 1 ATOM 1633 C CA . MET A 1 200 ? -13.254 6.981 4.755 1.00 83.11 200 A 1 ATOM 1634 C C . MET A 1 200 ? -12.625 7.534 3.471 1.00 81.49 200 A 1 ATOM 1635 O O . MET A 1 200 ? -11.500 7.144 3.150 1.00 77.36 200 A 1 ATOM 1636 C CB . MET A 1 200 ? -13.809 5.579 4.478 1.00 83.58 200 A 1 ATOM 1637 C CG . MET A 1 200 ? -14.023 4.766 5.758 1.00 81.35 200 A 1 ATOM 1638 S SD . MET A 1 200 ? -14.694 3.100 5.501 1.00 79.77 200 A 1 ATOM 1639 C CE . MET A 1 200 ? -13.407 2.381 4.447 1.00 71.64 200 A 1 ATOM 1640 N N . TYR A 1 201 ? -13.356 8.369 2.735 1.00 80.82 201 A 1 ATOM 1641 C CA . TYR A 1 201 ? -12.989 8.839 1.393 1.00 77.27 201 A 1 ATOM 1642 C C . TYR A 1 201 ? -12.922 10.375 1.255 1.00 75.02 201 A 1 ATOM 1643 O O . TYR A 1 201 ? -12.573 10.855 0.181 1.00 69.83 201 A 1 ATOM 1644 C CB . TYR A 1 201 ? -13.935 8.205 0.370 1.00 76.05 201 A 1 ATOM 1645 C CG . TYR A 1 201 ? -13.815 6.690 0.237 1.00 75.54 201 A 1 ATOM 1646 C CD1 . TYR A 1 201 ? -12.828 6.137 -0.602 1.00 73.14 201 A 1 ATOM 1647 C CD2 . TYR A 1 201 ? -14.686 5.835 0.942 1.00 72.96 201 A 1 ATOM 1648 C CE1 . TYR A 1 201 ? -12.718 4.739 -0.745 1.00 70.60 201 A 1 ATOM 1649 C CE2 . TYR A 1 201 ? -14.577 4.432 0.804 1.00 70.89 201 A 1 ATOM 1650 C CZ . TYR A 1 201 ? -13.594 3.884 -0.043 1.00 72.40 201 A 1 ATOM 1651 O OH . TYR A 1 201 ? -13.491 2.535 -0.182 1.00 70.60 201 A 1 ATOM 1652 N N . ASN A 1 202 ? -13.224 11.134 2.312 1.00 79.83 202 A 1 ATOM 1653 C CA . ASN A 1 202 ? -12.882 12.566 2.444 1.00 77.43 202 A 1 ATOM 1654 C C . ASN A 1 202 ? -11.754 12.732 3.464 1.00 71.89 202 A 1 ATOM 1655 O O . ASN A 1 202 ? -10.946 13.660 3.275 1.00 64.93 202 A 1 ATOM 1656 C CB . ASN A 1 202 ? -14.090 13.385 2.930 1.00 71.11 202 A 1 ATOM 1657 C CG . ASN A 1 202 ? -15.276 13.484 1.999 1.00 65.43 202 A 1 ATOM 1658 O OD1 . ASN A 1 202 ? -15.262 13.307 0.804 1.00 61.60 202 A 1 ATOM 1659 N ND2 . ASN A 1 202 ? -16.416 13.844 2.540 1.00 59.32 202 A 1 ATOM 1660 O OXT . ASN A 1 202 ? -11.772 11.985 4.443 1.00 56.63 202 A 1 #