# 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_quec # _entry.id quec # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n LYS 2 1 n SER 3 1 n VAL 4 1 n VAL 5 1 n LEU 6 1 n LEU 7 1 n SER 8 1 n GLY 9 1 n GLY 10 1 n VAL 11 1 n ASP 12 1 n SER 13 1 n ALA 14 1 n THR 15 1 n CYS 16 1 n LEU 17 1 n ALA 18 1 n ILE 19 1 n GLU 20 1 n VAL 21 1 n ASP 22 1 n LYS 23 1 n TRP 24 1 n GLY 25 1 n SER 26 1 n LYS 27 1 n ASN 28 1 n VAL 29 1 n HIS 30 1 n ALA 31 1 n ILE 32 1 n ALA 33 1 n PHE 34 1 n ASN 35 1 n TYR 36 1 n GLY 37 1 n GLN 38 1 n LYS 39 1 n HIS 40 1 n GLU 41 1 n ALA 42 1 n GLU 43 1 n LEU 44 1 n GLU 45 1 n ASN 46 1 n ALA 47 1 n ALA 48 1 n ASN 49 1 n VAL 50 1 n ALA 51 1 n MET 52 1 n PHE 53 1 n TYR 54 1 n GLY 55 1 n VAL 56 1 n LYS 57 1 n PHE 58 1 n THR 59 1 n ILE 60 1 n LEU 61 1 n GLU 62 1 n ILE 63 1 n ASP 64 1 n SER 65 1 n LYS 66 1 n ILE 67 1 n TYR 68 1 n SER 69 1 n SER 70 1 n SER 71 1 n SER 72 1 n SER 73 1 n SER 74 1 n LEU 75 1 n LEU 76 1 n GLN 77 1 n GLY 78 1 n LYS 79 1 n GLY 80 1 n GLU 81 1 n ILE 82 1 n SER 83 1 n HIS 84 1 n GLY 85 1 n LYS 86 1 n SER 87 1 n TYR 88 1 n ALA 89 1 n GLU 90 1 n ILE 91 1 n LEU 92 1 n ALA 93 1 n GLU 94 1 n LYS 95 1 n GLU 96 1 n VAL 97 1 n VAL 98 1 n ASP 99 1 n THR 100 1 n TYR 101 1 n VAL 102 1 n PRO 103 1 n PHE 104 1 n ARG 105 1 n ASN 106 1 n GLY 107 1 n LEU 108 1 n MET 109 1 n LEU 110 1 n SER 111 1 n GLN 112 1 n ALA 113 1 n ALA 114 1 n ALA 115 1 n TYR 116 1 n ALA 117 1 n TYR 118 1 n SER 119 1 n VAL 120 1 n GLY 121 1 n ALA 122 1 n SER 123 1 n TYR 124 1 n VAL 125 1 n VAL 126 1 n TYR 127 1 n GLY 128 1 n ALA 129 1 n HIS 130 1 n ALA 131 1 n ASP 132 1 n ASP 133 1 n ALA 134 1 n ALA 135 1 n GLY 136 1 n GLY 137 1 n ALA 138 1 n TYR 139 1 n PRO 140 1 n ASP 141 1 n CYS 142 1 n THR 143 1 n PRO 144 1 n GLU 145 1 n PHE 146 1 n TYR 147 1 n ASN 148 1 n SER 149 1 n MET 150 1 n SER 151 1 n ASN 152 1 n ALA 153 1 n MET 154 1 n GLU 155 1 n TYR 156 1 n GLY 157 1 n THR 158 1 n GLY 159 1 n GLY 160 1 n LYS 161 1 n VAL 162 1 n THR 163 1 n LEU 164 1 n VAL 165 1 n ALA 166 1 n PRO 167 1 n LEU 168 1 n LEU 169 1 n THR 170 1 n LEU 171 1 n THR 172 1 n LYS 173 1 n ALA 174 1 n GLN 175 1 n VAL 176 1 n VAL 177 1 n LYS 178 1 n TRP 179 1 n GLY 180 1 n ILE 181 1 n ASP 182 1 n LEU 183 1 n ASP 184 1 n VAL 185 1 n PRO 186 1 n TYR 187 1 n PHE 188 1 n LEU 189 1 n THR 190 1 n ARG 191 1 n SER 192 1 n CYS 193 1 n TYR 194 1 n GLU 195 1 n SER 196 1 n ASP 197 1 n ALA 198 1 n GLU 199 1 n SER 200 1 n CYS 201 1 n GLY 202 1 n THR 203 1 n CYS 204 1 n ALA 205 1 n THR 206 1 n CYS 207 1 n ILE 208 1 n ASP 209 1 n ARG 210 1 n LYS 211 1 n LYS 212 1 n ALA 213 1 n PHE 214 1 n GLU 215 1 n GLU 216 1 n ASN 217 1 n GLY 218 1 n MET 219 1 n THR 220 1 n ASP 221 1 n PRO 222 1 n ILE 223 1 n HIS 224 1 n TYR 225 1 n LYS 226 1 n GLU 227 1 n ASN 228 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:09:03)" _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 86.14 _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 84.07 1 1 A LYS 2 2 90.26 1 2 A SER 3 2 96.58 1 3 A VAL 4 2 98.55 1 4 A VAL 5 2 98.47 1 5 A LEU 6 2 96.04 1 6 A LEU 7 2 97.39 1 7 A SER 8 2 93.39 1 8 A GLY 9 2 94.65 1 9 A GLY 10 2 95.54 1 10 A VAL 11 2 95.31 1 11 A ASP 12 2 94.30 1 12 A SER 13 2 97.31 1 13 A ALA 14 2 98.08 1 14 A THR 15 2 97.69 1 15 A CYS 16 2 97.64 1 16 A LEU 17 2 98.30 1 17 A ALA 18 2 98.59 1 18 A ILE 19 2 98.09 1 19 A GLU 20 2 97.36 1 20 A VAL 21 2 98.38 1 21 A ASP 22 2 97.03 1 22 A LYS 23 2 94.02 1 23 A TRP 24 2 95.71 1 24 A GLY 25 2 98.32 1 25 A SER 26 2 96.94 1 26 A LYS 27 2 88.11 1 27 A ASN 28 2 96.78 1 28 A VAL 29 2 98.36 1 29 A HIS 30 2 93.44 1 30 A ALA 31 2 98.53 1 31 A ILE 32 2 96.88 1 32 A ALA 33 2 96.99 1 33 A PHE 34 2 94.96 1 34 A ASN 35 2 87.80 1 35 A TYR 36 2 83.08 1 36 A GLY 37 2 77.83 1 37 A GLN 38 2 70.43 1 38 A LYS 39 2 58.14 1 39 A HIS 40 2 53.78 1 40 A GLU 41 2 68.76 1 41 A ALA 42 2 87.61 1 42 A GLU 43 2 82.91 1 43 A LEU 44 2 92.12 1 44 A GLU 45 2 85.87 1 45 A ASN 46 2 90.94 1 46 A ALA 47 2 96.41 1 47 A ALA 48 2 97.02 1 48 A ASN 49 2 94.67 1 49 A VAL 50 2 97.79 1 50 A ALA 51 2 98.42 1 51 A MET 52 2 92.43 1 52 A PHE 53 2 98.12 1 53 A TYR 54 2 98.28 1 54 A GLY 55 2 98.19 1 55 A VAL 56 2 97.52 1 56 A LYS 57 2 90.62 1 57 A PHE 58 2 97.55 1 58 A THR 59 2 97.08 1 59 A ILE 60 2 95.21 1 60 A LEU 61 2 96.05 1 61 A GLU 62 2 88.30 1 62 A ILE 63 2 90.22 1 63 A ASP 64 2 86.53 1 64 A SER 65 2 81.87 1 65 A LYS 66 2 78.02 1 66 A ILE 67 2 80.31 1 67 A TYR 68 2 78.82 1 68 A SER 69 2 73.61 1 69 A SER 70 2 71.24 1 70 A SER 71 2 65.56 1 71 A SER 72 2 60.17 1 72 A SER 73 2 57.92 1 73 A SER 74 2 51.98 1 74 A LEU 75 2 50.70 1 75 A LEU 76 2 50.79 1 76 A GLN 77 2 45.13 1 77 A GLY 78 2 45.62 1 78 A LYS 79 2 44.57 1 79 A GLY 80 2 58.48 1 80 A GLU 81 2 53.66 1 81 A ILE 82 2 61.44 1 82 A SER 83 2 66.40 1 83 A HIS 84 2 69.30 1 84 A GLY 85 2 75.57 1 85 A LYS 86 2 68.88 1 86 A SER 87 2 70.61 1 87 A TYR 88 2 67.04 1 88 A ALA 89 2 70.68 1 89 A GLU 90 2 64.92 1 90 A ILE 91 2 66.44 1 91 A LEU 92 2 63.50 1 92 A ALA 93 2 66.15 1 93 A GLU 94 2 62.76 1 94 A LYS 95 2 63.63 1 95 A GLU 96 2 55.85 1 96 A VAL 97 2 60.53 1 97 A VAL 98 2 61.06 1 98 A ASP 99 2 59.14 1 99 A THR 100 2 64.60 1 100 A TYR 101 2 69.26 1 101 A VAL 102 2 77.38 1 102 A PRO 103 2 85.06 1 103 A PHE 104 2 89.60 1 104 A ARG 105 2 83.54 1 105 A ASN 106 2 91.34 1 106 A GLY 107 2 95.22 1 107 A LEU 108 2 92.84 1 108 A MET 109 2 94.27 1 109 A LEU 110 2 97.16 1 110 A SER 111 2 96.09 1 111 A GLN 112 2 94.96 1 112 A ALA 113 2 98.46 1 113 A ALA 114 2 98.38 1 114 A ALA 115 2 98.33 1 115 A TYR 116 2 98.03 1 116 A ALA 117 2 98.39 1 117 A TYR 118 2 96.72 1 118 A SER 119 2 96.16 1 119 A VAL 120 2 97.16 1 120 A GLY 121 2 97.74 1 121 A ALA 122 2 98.16 1 122 A SER 123 2 96.98 1 123 A TYR 124 2 96.84 1 124 A VAL 125 2 98.25 1 125 A VAL 126 2 97.42 1 126 A TYR 127 2 84.62 1 127 A GLY 128 2 90.97 1 128 A ALA 129 2 87.61 1 129 A HIS 130 2 79.05 1 130 A ALA 131 2 75.84 1 131 A ASP 132 2 67.96 1 132 A ASP 133 2 69.87 1 133 A ALA 134 2 71.15 1 134 A ALA 135 2 63.85 1 135 A GLY 136 2 58.31 1 136 A GLY 137 2 63.36 1 137 A ALA 138 2 72.14 1 138 A TYR 139 2 77.04 1 139 A PRO 140 2 86.94 1 140 A ASP 141 2 88.10 1 141 A CYS 142 2 87.38 1 142 A THR 143 2 87.98 1 143 A PRO 144 2 88.28 1 144 A GLU 145 2 85.91 1 145 A PHE 146 2 92.18 1 146 A TYR 147 2 93.54 1 147 A ASN 148 2 91.87 1 148 A SER 149 2 96.26 1 149 A MET 150 2 94.92 1 150 A SER 151 2 96.38 1 151 A ASN 152 2 95.60 1 152 A ALA 153 2 98.02 1 153 A MET 154 2 96.70 1 154 A GLU 155 2 90.29 1 155 A TYR 156 2 94.87 1 156 A GLY 157 2 97.85 1 157 A THR 158 2 97.73 1 158 A GLY 159 2 97.76 1 159 A GLY 160 2 97.75 1 160 A LYS 161 2 93.29 1 161 A VAL 162 2 98.01 1 162 A THR 163 2 96.48 1 163 A LEU 164 2 97.12 1 164 A VAL 165 2 95.62 1 165 A ALA 166 2 95.55 1 166 A PRO 167 2 96.16 1 167 A LEU 168 2 94.09 1 168 A LEU 169 2 89.54 1 169 A THR 170 2 88.55 1 170 A LEU 171 2 91.63 1 171 A THR 172 2 90.72 1 172 A LYS 173 2 86.33 1 173 A ALA 174 2 94.73 1 174 A GLN 175 2 92.69 1 175 A VAL 176 2 95.47 1 176 A VAL 177 2 96.77 1 177 A LYS 178 2 92.13 1 178 A TRP 179 2 96.09 1 179 A GLY 180 2 98.06 1 180 A ILE 181 2 97.03 1 181 A ASP 182 2 96.73 1 182 A LEU 183 2 97.68 1 183 A ASP 184 2 95.65 1 184 A VAL 185 2 98.14 1 185 A PRO 186 2 98.06 1 186 A TYR 187 2 97.20 1 187 A PHE 188 2 95.76 1 188 A LEU 189 2 95.99 1 189 A THR 190 2 95.35 1 190 A ARG 191 2 83.22 1 191 A SER 192 2 88.17 1 192 A CYS 193 2 86.25 1 193 A TYR 194 2 75.16 1 194 A GLU 195 2 77.11 1 195 A SER 196 2 71.17 1 196 A ASP 197 2 71.09 1 197 A ALA 198 2 81.97 1 198 A GLU 199 2 81.95 1 199 A SER 200 2 89.79 1 200 A CYS 201 2 88.24 1 201 A GLY 202 2 89.21 1 202 A THR 203 2 86.58 1 203 A CYS 204 2 83.03 1 204 A ALA 205 2 83.27 1 205 A THR 206 2 83.66 1 206 A CYS 207 2 89.31 1 207 A ILE 208 2 87.43 1 208 A ASP 209 2 85.53 1 209 A ARG 210 2 92.01 1 210 A LYS 211 2 90.37 1 211 A LYS 212 2 86.31 1 212 A ALA 213 2 95.43 1 213 A PHE 214 2 96.89 1 214 A GLU 215 2 89.92 1 215 A GLU 216 2 92.28 1 216 A ASN 217 2 95.93 1 217 A GLY 218 2 96.20 1 218 A MET 219 2 89.68 1 219 A THR 220 2 92.35 1 220 A ASP 221 2 94.67 1 221 A PRO 222 2 95.74 1 222 A ILE 223 2 91.90 1 223 A HIS 224 2 82.27 1 224 A TYR 225 2 91.07 1 225 A LYS 226 2 81.75 1 226 A GLU 227 2 73.26 1 227 A ASN 228 2 65.66 1 228 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n LYS . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n TRP . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n LYS . 27 A 27 A 28 1 n ASN . 28 A 28 A 29 1 n VAL . 29 A 29 A 30 1 n HIS . 30 A 30 A 31 1 n ALA . 31 A 31 A 32 1 n ILE . 32 A 32 A 33 1 n ALA . 33 A 33 A 34 1 n PHE . 34 A 34 A 35 1 n ASN . 35 A 35 A 36 1 n TYR . 36 A 36 A 37 1 n GLY . 37 A 37 A 38 1 n GLN . 38 A 38 A 39 1 n LYS . 39 A 39 A 40 1 n HIS . 40 A 40 A 41 1 n GLU . 41 A 41 A 42 1 n ALA . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n ASN . 46 A 46 A 47 1 n ALA . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n ASN . 49 A 49 A 50 1 n VAL . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n MET . 52 A 52 A 53 1 n PHE . 53 A 53 A 54 1 n TYR . 54 A 54 A 55 1 n GLY . 55 A 55 A 56 1 n VAL . 56 A 56 A 57 1 n LYS . 57 A 57 A 58 1 n PHE . 58 A 58 A 59 1 n THR . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n GLU . 62 A 62 A 63 1 n ILE . 63 A 63 A 64 1 n ASP . 64 A 64 A 65 1 n SER . 65 A 65 A 66 1 n LYS . 66 A 66 A 67 1 n ILE . 67 A 67 A 68 1 n TYR . 68 A 68 A 69 1 n SER . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n SER . 71 A 71 A 72 1 n SER . 72 A 72 A 73 1 n SER . 73 A 73 A 74 1 n SER . 74 A 74 A 75 1 n LEU . 75 A 75 A 76 1 n LEU . 76 A 76 A 77 1 n GLN . 77 A 77 A 78 1 n GLY . 78 A 78 A 79 1 n LYS . 79 A 79 A 80 1 n GLY . 80 A 80 A 81 1 n GLU . 81 A 81 A 82 1 n ILE . 82 A 82 A 83 1 n SER . 83 A 83 A 84 1 n HIS . 84 A 84 A 85 1 n GLY . 85 A 85 A 86 1 n LYS . 86 A 86 A 87 1 n SER . 87 A 87 A 88 1 n TYR . 88 A 88 A 89 1 n ALA . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n ILE . 91 A 91 A 92 1 n LEU . 92 A 92 A 93 1 n ALA . 93 A 93 A 94 1 n GLU . 94 A 94 A 95 1 n LYS . 95 A 95 A 96 1 n GLU . 96 A 96 A 97 1 n VAL . 97 A 97 A 98 1 n VAL . 98 A 98 A 99 1 n ASP . 99 A 99 A 100 1 n THR . 100 A 100 A 101 1 n TYR . 101 A 101 A 102 1 n VAL . 102 A 102 A 103 1 n PRO . 103 A 103 A 104 1 n PHE . 104 A 104 A 105 1 n ARG . 105 A 105 A 106 1 n ASN . 106 A 106 A 107 1 n GLY . 107 A 107 A 108 1 n LEU . 108 A 108 A 109 1 n MET . 109 A 109 A 110 1 n LEU . 110 A 110 A 111 1 n SER . 111 A 111 A 112 1 n GLN . 112 A 112 A 113 1 n ALA . 113 A 113 A 114 1 n ALA . 114 A 114 A 115 1 n ALA . 115 A 115 A 116 1 n TYR . 116 A 116 A 117 1 n ALA . 117 A 117 A 118 1 n TYR . 118 A 118 A 119 1 n SER . 119 A 119 A 120 1 n VAL . 120 A 120 A 121 1 n GLY . 121 A 121 A 122 1 n ALA . 122 A 122 A 123 1 n SER . 123 A 123 A 124 1 n TYR . 124 A 124 A 125 1 n VAL . 125 A 125 A 126 1 n VAL . 126 A 126 A 127 1 n TYR . 127 A 127 A 128 1 n GLY . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n HIS . 130 A 130 A 131 1 n ALA . 131 A 131 A 132 1 n ASP . 132 A 132 A 133 1 n ASP . 133 A 133 A 134 1 n ALA . 134 A 134 A 135 1 n ALA . 135 A 135 A 136 1 n GLY . 136 A 136 A 137 1 n GLY . 137 A 137 A 138 1 n ALA . 138 A 138 A 139 1 n TYR . 139 A 139 A 140 1 n PRO . 140 A 140 A 141 1 n ASP . 141 A 141 A 142 1 n CYS . 142 A 142 A 143 1 n THR . 143 A 143 A 144 1 n PRO . 144 A 144 A 145 1 n GLU . 145 A 145 A 146 1 n PHE . 146 A 146 A 147 1 n TYR . 147 A 147 A 148 1 n ASN . 148 A 148 A 149 1 n SER . 149 A 149 A 150 1 n MET . 150 A 150 A 151 1 n SER . 151 A 151 A 152 1 n ASN . 152 A 152 A 153 1 n ALA . 153 A 153 A 154 1 n MET . 154 A 154 A 155 1 n GLU . 155 A 155 A 156 1 n TYR . 156 A 156 A 157 1 n GLY . 157 A 157 A 158 1 n THR . 158 A 158 A 159 1 n GLY . 159 A 159 A 160 1 n GLY . 160 A 160 A 161 1 n LYS . 161 A 161 A 162 1 n VAL . 162 A 162 A 163 1 n THR . 163 A 163 A 164 1 n LEU . 164 A 164 A 165 1 n VAL . 165 A 165 A 166 1 n ALA . 166 A 166 A 167 1 n PRO . 167 A 167 A 168 1 n LEU . 168 A 168 A 169 1 n LEU . 169 A 169 A 170 1 n THR . 170 A 170 A 171 1 n LEU . 171 A 171 A 172 1 n THR . 172 A 172 A 173 1 n LYS . 173 A 173 A 174 1 n ALA . 174 A 174 A 175 1 n GLN . 175 A 175 A 176 1 n VAL . 176 A 176 A 177 1 n VAL . 177 A 177 A 178 1 n LYS . 178 A 178 A 179 1 n TRP . 179 A 179 A 180 1 n GLY . 180 A 180 A 181 1 n ILE . 181 A 181 A 182 1 n ASP . 182 A 182 A 183 1 n LEU . 183 A 183 A 184 1 n ASP . 184 A 184 A 185 1 n VAL . 185 A 185 A 186 1 n PRO . 186 A 186 A 187 1 n TYR . 187 A 187 A 188 1 n PHE . 188 A 188 A 189 1 n LEU . 189 A 189 A 190 1 n THR . 190 A 190 A 191 1 n ARG . 191 A 191 A 192 1 n SER . 192 A 192 A 193 1 n CYS . 193 A 193 A 194 1 n TYR . 194 A 194 A 195 1 n GLU . 195 A 195 A 196 1 n SER . 196 A 196 A 197 1 n ASP . 197 A 197 A 198 1 n ALA . 198 A 198 A 199 1 n GLU . 199 A 199 A 200 1 n SER . 200 A 200 A 201 1 n CYS . 201 A 201 A 202 1 n GLY . 202 A 202 A 203 1 n THR . 203 A 203 A 204 1 n CYS . 204 A 204 A 205 1 n ALA . 205 A 205 A 206 1 n THR . 206 A 206 A 207 1 n CYS . 207 A 207 A 208 1 n ILE . 208 A 208 A 209 1 n ASP . 209 A 209 A 210 1 n ARG . 210 A 210 A 211 1 n LYS . 211 A 211 A 212 1 n LYS . 212 A 212 A 213 1 n ALA . 213 A 213 A 214 1 n PHE . 214 A 214 A 215 1 n GLU . 215 A 215 A 216 1 n GLU . 216 A 216 A 217 1 n ASN . 217 A 217 A 218 1 n GLY . 218 A 218 A 219 1 n MET . 219 A 219 A 220 1 n THR . 220 A 220 A 221 1 n ASP . 221 A 221 A 222 1 n PRO . 222 A 222 A 223 1 n ILE . 223 A 223 A 224 1 n HIS . 224 A 224 A 225 1 n TYR . 225 A 225 A 226 1 n LYS . 226 A 226 A 227 1 n GLU . 227 A 227 A 228 1 n ASN . 228 A 228 # _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 ? -19.907 0.028 10.902 1.00 84.89 1 A 1 ATOM 2 C CA . MET A 1 1 ? -19.172 -1.179 10.452 1.00 92.37 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.705 -0.963 10.770 1.00 94.71 1 A 1 ATOM 4 O O . MET A 1 1 ? -17.343 0.182 11.010 1.00 90.49 1 A 1 ATOM 5 C CB . MET A 1 1 ? -19.400 -1.433 8.957 1.00 86.14 1 A 1 ATOM 6 C CG . MET A 1 1 ? -20.836 -1.899 8.676 1.00 79.43 1 A 1 ATOM 7 S SD . MET A 1 1 ? -21.203 -2.060 6.917 1.00 76.63 1 A 1 ATOM 8 C CE . MET A 1 1 ? -22.923 -2.638 6.969 1.00 67.87 1 A 1 ATOM 9 N N . LYS A 1 2 ? -16.882 -2.019 10.861 1.00 96.40 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -15.427 -1.876 11.059 1.00 96.61 2 A 1 ATOM 11 C C . LYS A 1 2 ? -14.681 -2.319 9.807 1.00 97.59 2 A 1 ATOM 12 O O . LYS A 1 2 ? -15.113 -3.272 9.157 1.00 96.95 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -14.931 -2.686 12.262 1.00 94.08 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -15.461 -2.216 13.620 1.00 88.05 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -14.848 -3.106 14.711 1.00 87.12 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -15.381 -2.777 16.102 1.00 81.45 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -14.896 -3.790 17.075 1.00 74.08 2 A 1 ATOM 18 N N . SER A 1 3 ? -13.540 -1.685 9.536 1.00 98.11 3 A 1 ATOM 19 C CA . SER A 1 3 ? -12.604 -2.091 8.487 1.00 98.26 3 A 1 ATOM 20 C C . SER A 1 3 ? -11.188 -2.302 9.023 1.00 98.58 3 A 1 ATOM 21 O O . SER A 1 3 ? -10.795 -1.761 10.063 1.00 98.18 3 A 1 ATOM 22 C CB . SER A 1 3 ? -12.624 -1.112 7.308 1.00 96.69 3 A 1 ATOM 23 O OG . SER A 1 3 ? -12.185 0.160 7.694 1.00 89.66 3 A 1 ATOM 24 N N . VAL A 1 4 ? -10.435 -3.146 8.325 1.00 98.68 4 A 1 ATOM 25 C CA . VAL A 1 4 ? -9.007 -3.398 8.536 1.00 98.76 4 A 1 ATOM 26 C C . VAL A 1 4 ? -8.269 -2.960 7.279 1.00 98.79 4 A 1 ATOM 27 O O . VAL A 1 4 ? -8.566 -3.461 6.201 1.00 98.64 4 A 1 ATOM 28 C CB . VAL A 1 4 ? -8.744 -4.884 8.834 1.00 98.66 4 A 1 ATOM 29 C CG1 . VAL A 1 4 ? -7.246 -5.174 8.964 1.00 98.18 4 A 1 ATOM 30 C CG2 . VAL A 1 4 ? -9.417 -5.314 10.144 1.00 98.17 4 A 1 ATOM 31 N N . VAL A 1 5 ? -7.314 -2.049 7.412 1.00 98.70 5 A 1 ATOM 32 C CA . VAL A 1 5 ? -6.525 -1.506 6.298 1.00 98.70 5 A 1 ATOM 33 C C . VAL A 1 5 ? -5.105 -2.063 6.359 1.00 98.65 5 A 1 ATOM 34 O O . VAL A 1 5 ? -4.451 -1.971 7.398 1.00 98.41 5 A 1 ATOM 35 C CB . VAL A 1 5 ? -6.520 0.036 6.318 1.00 98.61 5 A 1 ATOM 36 C CG1 . VAL A 1 5 ? -5.776 0.608 5.102 1.00 98.11 5 A 1 ATOM 37 C CG2 . VAL A 1 5 ? -7.945 0.606 6.317 1.00 98.11 5 A 1 ATOM 38 N N . LEU A 1 6 ? -4.619 -2.627 5.248 1.00 98.46 6 A 1 ATOM 39 C CA . LEU A 1 6 ? -3.207 -2.973 5.083 1.00 98.29 6 A 1 ATOM 40 C C . LEU A 1 6 ? -2.411 -1.677 4.897 1.00 98.11 6 A 1 ATOM 41 O O . LEU A 1 6 ? -2.543 -1.001 3.876 1.00 97.43 6 A 1 ATOM 42 C CB . LEU A 1 6 ? -3.004 -3.932 3.895 1.00 97.94 6 A 1 ATOM 43 C CG . LEU A 1 6 ? -3.301 -5.415 4.198 1.00 95.98 6 A 1 ATOM 44 C CD1 . LEU A 1 6 ? -4.794 -5.694 4.398 1.00 91.28 6 A 1 ATOM 45 C CD2 . LEU A 1 6 ? -2.814 -6.282 3.038 1.00 90.84 6 A 1 ATOM 46 N N . LEU A 1 7 ? -1.595 -1.320 5.889 1.00 98.10 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -0.864 -0.056 5.952 1.00 97.85 7 A 1 ATOM 48 C C . LEU A 1 7 ? 0.647 -0.304 5.892 1.00 97.24 7 A 1 ATOM 49 O O . LEU A 1 7 ? 1.250 -0.740 6.869 1.00 96.28 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -1.293 0.692 7.231 1.00 97.87 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -0.661 2.090 7.377 1.00 97.64 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -1.124 3.051 6.278 1.00 97.08 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -1.039 2.691 8.729 1.00 97.03 7 A 1 ATOM 54 N N . SER A 1 8 ? 1.266 0.014 4.752 1.00 95.75 8 A 1 ATOM 55 C CA . SER A 1 8 ? 2.725 -0.060 4.575 1.00 94.43 8 A 1 ATOM 56 C C . SER A 1 8 ? 3.449 1.239 4.950 1.00 93.86 8 A 1 ATOM 57 O O . SER A 1 8 ? 4.670 1.272 4.995 1.00 91.86 8 A 1 ATOM 58 C CB . SER A 1 8 ? 3.052 -0.434 3.124 1.00 93.17 8 A 1 ATOM 59 O OG . SER A 1 8 ? 2.591 0.578 2.239 1.00 91.24 8 A 1 ATOM 60 N N . GLY A 1 9 ? 2.720 2.342 5.166 1.00 94.93 9 A 1 ATOM 61 C CA . GLY A 1 9 ? 3.300 3.683 5.326 1.00 94.59 9 A 1 ATOM 62 C C . GLY A 1 9 ? 3.628 4.394 4.006 1.00 95.03 9 A 1 ATOM 63 O O . GLY A 1 9 ? 4.151 5.506 4.025 1.00 94.06 9 A 1 ATOM 64 N N . GLY A 1 10 ? 3.317 3.782 2.860 1.00 94.86 10 A 1 ATOM 65 C CA . GLY A 1 10 ? 3.407 4.399 1.537 1.00 94.94 10 A 1 ATOM 66 C C . GLY A 1 10 ? 2.187 5.257 1.183 1.00 96.05 10 A 1 ATOM 67 O O . GLY A 1 10 ? 1.163 5.228 1.869 1.00 96.31 10 A 1 ATOM 68 N N . VAL A 1 11 ? 2.289 5.986 0.067 1.00 95.75 11 A 1 ATOM 69 C CA . VAL A 1 11 ? 1.239 6.887 -0.455 1.00 96.28 11 A 1 ATOM 70 C C . VAL A 1 11 ? -0.119 6.191 -0.587 1.00 97.02 11 A 1 ATOM 71 O O . VAL A 1 11 ? -1.131 6.699 -0.110 1.00 96.98 11 A 1 ATOM 72 C CB . VAL A 1 11 ? 1.686 7.453 -1.823 1.00 95.43 11 A 1 ATOM 73 C CG1 . VAL A 1 11 ? 0.571 8.132 -2.624 1.00 93.05 11 A 1 ATOM 74 C CG2 . VAL A 1 11 ? 2.805 8.483 -1.632 1.00 92.66 11 A 1 ATOM 75 N N . ASP A 1 12 ? -0.146 4.997 -1.181 1.00 95.81 12 A 1 ATOM 76 C CA . ASP A 1 12 ? -1.388 4.311 -1.553 1.00 95.95 12 A 1 ATOM 77 C C . ASP A 1 12 ? -2.113 3.783 -0.319 1.00 96.86 12 A 1 ATOM 78 O O . ASP A 1 12 ? -3.306 4.029 -0.122 1.00 96.97 12 A 1 ATOM 79 C CB . ASP A 1 12 ? -1.076 3.174 -2.544 1.00 95.00 12 A 1 ATOM 80 C CG . ASP A 1 12 ? -0.021 3.617 -3.541 1.00 93.36 12 A 1 ATOM 81 O OD1 . ASP A 1 12 ? -0.231 4.621 -4.260 1.00 90.65 12 A 1 ATOM 82 O OD2 . ASP A 1 12 ? 1.143 3.152 -3.417 1.00 89.78 12 A 1 ATOM 83 N N . SER A 1 13 ? -1.382 3.124 0.581 1.00 97.30 13 A 1 ATOM 84 C CA . SER A 1 13 ? -1.948 2.588 1.815 1.00 97.47 13 A 1 ATOM 85 C C . SER A 1 13 ? -2.392 3.690 2.787 1.00 97.99 13 A 1 ATOM 86 O O . SER A 1 13 ? -3.416 3.534 3.455 1.00 98.08 13 A 1 ATOM 87 C CB . SER A 1 13 ? -0.960 1.626 2.472 1.00 96.94 13 A 1 ATOM 88 O OG . SER A 1 13 ? 0.206 2.292 2.922 1.00 96.07 13 A 1 ATOM 89 N N . ALA A 1 14 ? -1.681 4.828 2.832 1.00 97.68 14 A 1 ATOM 90 C CA . ALA A 1 14 ? -2.096 6.004 3.597 1.00 98.04 14 A 1 ATOM 91 C C . ALA A 1 14 ? -3.389 6.617 3.032 1.00 98.33 14 A 1 ATOM 92 O O . ALA A 1 14 ? -4.284 6.974 3.801 1.00 98.36 14 A 1 ATOM 93 C CB . ALA A 1 14 ? -0.941 7.013 3.609 1.00 97.97 14 A 1 ATOM 94 N N . THR A 1 15 ? -3.527 6.656 1.702 1.00 97.84 15 A 1 ATOM 95 C CA . THR A 1 15 ? -4.763 7.096 1.036 1.00 98.01 15 A 1 ATOM 96 C C . THR A 1 15 ? -5.927 6.154 1.352 1.00 98.19 15 A 1 ATOM 97 O O . THR A 1 15 ? -7.000 6.615 1.744 1.00 98.17 15 A 1 ATOM 98 C CB . THR A 1 15 ? -4.560 7.222 -0.481 1.00 97.89 15 A 1 ATOM 99 O OG1 . THR A 1 15 ? -3.477 8.082 -0.742 1.00 96.85 15 A 1 ATOM 100 C CG2 . THR A 1 15 ? -5.783 7.809 -1.182 1.00 96.89 15 A 1 ATOM 101 N N . CYS A 1 16 ? -5.721 4.831 1.298 1.00 97.96 16 A 1 ATOM 102 C CA . CYS A 1 16 ? -6.732 3.856 1.730 1.00 97.87 16 A 1 ATOM 103 C C . CYS A 1 16 ? -7.160 4.062 3.189 1.00 98.13 16 A 1 ATOM 104 O O . CYS A 1 16 ? -8.349 3.979 3.498 1.00 97.98 16 A 1 ATOM 105 C CB . CYS A 1 16 ? -6.183 2.432 1.565 1.00 97.41 16 A 1 ATOM 106 S SG . CYS A 1 16 ? -6.154 1.976 -0.186 1.00 96.50 16 A 1 ATOM 107 N N . LEU A 1 17 ? -6.206 4.328 4.086 1.00 98.56 17 A 1 ATOM 108 C CA . LEU A 1 17 ? -6.514 4.586 5.490 1.00 98.63 17 A 1 ATOM 109 C C . LEU A 1 17 ? -7.373 5.845 5.653 1.00 98.64 17 A 1 ATOM 110 O O . LEU A 1 17 ? -8.356 5.807 6.391 1.00 98.53 17 A 1 ATOM 111 C CB . LEU A 1 17 ? -5.209 4.674 6.303 1.00 98.62 17 A 1 ATOM 112 C CG . LEU A 1 17 ? -5.460 4.835 7.816 1.00 98.14 17 A 1 ATOM 113 C CD1 . LEU A 1 17 ? -6.195 3.631 8.410 1.00 97.61 17 A 1 ATOM 114 C CD2 . LEU A 1 17 ? -4.137 4.986 8.559 1.00 97.67 17 A 1 ATOM 115 N N . ALA A 1 18 ? -7.039 6.924 4.951 1.00 98.64 18 A 1 ATOM 116 C CA . ALA A 1 18 ? -7.809 8.165 4.969 1.00 98.64 18 A 1 ATOM 117 C C . ALA A 1 18 ? -9.254 7.959 4.494 1.00 98.66 18 A 1 ATOM 118 O O . ALA A 1 18 ? -10.180 8.371 5.190 1.00 98.46 18 A 1 ATOM 119 C CB . ALA A 1 18 ? -7.087 9.201 4.107 1.00 98.55 18 A 1 ATOM 120 N N . ILE A 1 19 ? -9.443 7.234 3.379 1.00 98.56 19 A 1 ATOM 121 C CA . ILE A 1 19 ? -10.769 6.885 2.835 1.00 98.47 19 A 1 ATOM 122 C C . ILE A 1 19 ? -11.616 6.158 3.890 1.00 98.45 19 A 1 ATOM 123 O O . ILE A 1 19 ? -12.788 6.479 4.105 1.00 98.13 19 A 1 ATOM 124 C CB . ILE A 1 19 ? -10.612 6.015 1.559 1.00 98.36 19 A 1 ATOM 125 C CG1 . ILE A 1 19 ? -9.999 6.831 0.398 1.00 97.96 19 A 1 ATOM 126 C CG2 . ILE A 1 19 ? -11.960 5.410 1.106 1.00 97.79 19 A 1 ATOM 127 C CD1 . ILE A 1 19 ? -9.446 5.963 -0.745 1.00 97.03 19 A 1 ATOM 128 N N . GLU A 1 20 ? -11.029 5.176 4.573 1.00 98.53 20 A 1 ATOM 129 C CA . GLU A 1 20 ? -11.761 4.384 5.565 1.00 98.50 20 A 1 ATOM 130 C C . GLU A 1 20 ? -12.023 5.166 6.861 1.00 98.49 20 A 1 ATOM 131 O O . GLU A 1 20 ? -13.075 4.989 7.477 1.00 98.13 20 A 1 ATOM 132 C CB . GLU A 1 20 ? -11.012 3.079 5.847 1.00 98.38 20 A 1 ATOM 133 C CG . GLU A 1 20 ? -11.054 2.108 4.657 1.00 97.48 20 A 1 ATOM 134 C CD . GLU A 1 20 ? -12.480 1.621 4.336 1.00 97.84 20 A 1 ATOM 135 O OE1 . GLU A 1 20 ? -12.974 1.856 3.216 1.00 94.01 20 A 1 ATOM 136 O OE2 . GLU A 1 20 ? -13.103 0.991 5.229 1.00 94.86 20 A 1 ATOM 137 N N . VAL A 1 21 ? -11.100 6.043 7.272 1.00 98.62 21 A 1 ATOM 138 C CA . VAL A 1 21 ? -11.292 6.924 8.434 1.00 98.64 21 A 1 ATOM 139 C C . VAL A 1 21 ? -12.364 7.979 8.161 1.00 98.55 21 A 1 ATOM 140 O O . VAL A 1 21 ? -13.209 8.188 9.034 1.00 98.23 21 A 1 ATOM 141 C CB . VAL A 1 21 ? -9.963 7.561 8.879 1.00 98.62 21 A 1 ATOM 142 C CG1 . VAL A 1 21 ? -10.159 8.674 9.918 1.00 98.01 21 A 1 ATOM 143 C CG2 . VAL A 1 21 ? -9.072 6.493 9.536 1.00 97.99 21 A 1 ATOM 144 N N . ASP A 1 22 ? -12.379 8.580 6.978 1.00 98.58 22 A 1 ATOM 145 C CA . ASP A 1 22 ? -13.428 9.514 6.547 1.00 98.47 22 A 1 ATOM 146 C C . ASP A 1 22 ? -14.806 8.832 6.558 1.00 98.41 22 A 1 ATOM 147 O O . ASP A 1 22 ? -15.769 9.314 7.154 1.00 97.88 22 A 1 ATOM 148 C CB . ASP A 1 22 ? -13.068 10.052 5.152 1.00 98.36 22 A 1 ATOM 149 C CG . ASP A 1 22 ? -14.126 11.043 4.659 1.00 97.50 22 A 1 ATOM 150 O OD1 . ASP A 1 22 ? -14.242 12.115 5.295 1.00 93.34 22 A 1 ATOM 151 O OD2 . ASP A 1 22 ? -14.855 10.682 3.706 1.00 93.67 22 A 1 ATOM 152 N N . LYS A 1 23 ? -14.870 7.620 6.001 1.00 98.35 23 A 1 ATOM 153 C CA . LYS A 1 23 ? -16.119 6.862 5.860 1.00 98.20 23 A 1 ATOM 154 C C . LYS A 1 23 ? -16.680 6.306 7.175 1.00 98.25 23 A 1 ATOM 155 O O . LYS A 1 23 ? -17.898 6.265 7.357 1.00 97.61 23 A 1 ATOM 156 C CB . LYS A 1 23 ? -15.836 5.752 4.851 1.00 97.67 23 A 1 ATOM 157 C CG . LYS A 1 23 ? -17.075 4.948 4.459 1.00 94.88 23 A 1 ATOM 158 C CD . LYS A 1 23 ? -16.613 3.921 3.429 1.00 93.50 23 A 1 ATOM 159 C CE . LYS A 1 23 ? -17.758 3.046 2.939 1.00 86.70 23 A 1 ATOM 160 N NZ . LYS A 1 23 ? -17.194 1.975 2.084 1.00 80.98 23 A 1 ATOM 161 N N . TRP A 1 24 ? -15.815 5.789 8.067 1.00 98.11 24 A 1 ATOM 162 C CA . TRP A 1 24 ? -16.249 5.033 9.255 1.00 97.94 24 A 1 ATOM 163 C C . TRP A 1 24 ? -15.873 5.677 10.596 1.00 98.06 24 A 1 ATOM 164 O O . TRP A 1 24 ? -16.385 5.253 11.643 1.00 96.79 24 A 1 ATOM 165 C CB . TRP A 1 24 ? -15.715 3.598 9.175 1.00 97.51 24 A 1 ATOM 166 C CG . TRP A 1 24 ? -16.062 2.812 7.943 1.00 97.21 24 A 1 ATOM 167 C CD1 . TRP A 1 24 ? -15.170 2.259 7.099 1.00 95.34 24 A 1 ATOM 168 C CD2 . TRP A 1 24 ? -17.379 2.468 7.407 1.00 96.54 24 A 1 ATOM 169 N NE1 . TRP A 1 24 ? -15.831 1.596 6.084 1.00 94.42 24 A 1 ATOM 170 C CE2 . TRP A 1 24 ? -17.192 1.692 6.219 1.00 95.69 24 A 1 ATOM 171 C CE3 . TRP A 1 24 ? -18.710 2.736 7.793 1.00 94.44 24 A 1 ATOM 172 C CZ2 . TRP A 1 24 ? -18.270 1.209 5.462 1.00 93.67 24 A 1 ATOM 173 C CZ3 . TRP A 1 24 ? -19.804 2.259 7.037 1.00 92.30 24 A 1 ATOM 174 C CH2 . TRP A 1 24 ? -19.584 1.499 5.871 1.00 91.98 24 A 1 ATOM 175 N N . GLY A 1 25 ? -14.992 6.671 10.592 1.00 98.22 25 A 1 ATOM 176 C CA . GLY A 1 25 ? -14.348 7.250 11.766 1.00 98.30 25 A 1 ATOM 177 C C . GLY A 1 25 ? -13.242 6.352 12.336 1.00 98.53 25 A 1 ATOM 178 O O . GLY A 1 25 ? -13.336 5.120 12.319 1.00 98.23 25 A 1 ATOM 179 N N . SER A 1 26 ? -12.210 6.967 12.918 1.00 98.47 26 A 1 ATOM 180 C CA . SER A 1 26 ? -10.987 6.284 13.385 1.00 98.50 26 A 1 ATOM 181 C C . SER A 1 26 ? -11.232 5.123 14.365 1.00 98.55 26 A 1 ATOM 182 O O . SER A 1 26 ? -10.573 4.089 14.286 1.00 98.04 26 A 1 ATOM 183 C CB . SER A 1 26 ? -10.050 7.304 14.032 1.00 97.95 26 A 1 ATOM 184 O OG . SER A 1 26 ? -10.675 7.951 15.128 1.00 90.14 26 A 1 ATOM 185 N N . LYS A 1 27 ? -12.240 5.223 15.227 1.00 98.38 27 A 1 ATOM 186 C CA . LYS A 1 27 ? -12.600 4.164 16.197 1.00 98.24 27 A 1 ATOM 187 C C . LYS A 1 27 ? -13.069 2.854 15.551 1.00 98.39 27 A 1 ATOM 188 O O . LYS A 1 27 ? -13.091 1.816 16.216 1.00 97.76 27 A 1 ATOM 189 C CB . LYS A 1 27 ? -13.691 4.677 17.146 1.00 97.74 27 A 1 ATOM 190 C CG . LYS A 1 27 ? -13.197 5.817 18.044 1.00 91.41 27 A 1 ATOM 191 C CD . LYS A 1 27 ? -14.300 6.258 19.017 1.00 79.56 27 A 1 ATOM 192 C CE . LYS A 1 27 ? -13.781 7.404 19.883 1.00 72.75 27 A 1 ATOM 193 N NZ . LYS A 1 27 ? -14.825 7.925 20.800 1.00 58.75 27 A 1 ATOM 194 N N . ASN A 1 28 ? -13.493 2.899 14.299 1.00 98.43 28 A 1 ATOM 195 C CA . ASN A 1 28 ? -13.988 1.751 13.538 1.00 98.47 28 A 1 ATOM 196 C C . ASN A 1 28 ? -12.979 1.242 12.499 1.00 98.61 28 A 1 ATOM 197 O O . ASN A 1 28 ? -13.297 0.304 11.771 1.00 98.28 28 A 1 ATOM 198 C CB . ASN A 1 28 ? -15.332 2.120 12.900 1.00 98.25 28 A 1 ATOM 199 C CG . ASN A 1 28 ? -16.397 2.412 13.934 1.00 97.58 28 A 1 ATOM 200 O OD1 . ASN A 1 28 ? -16.712 1.600 14.795 1.00 92.42 28 A 1 ATOM 201 N ND2 . ASN A 1 28 ? -16.975 3.587 13.892 1.00 92.19 28 A 1 ATOM 202 N N . VAL A 1 29 ? -11.786 1.829 12.445 1.00 98.52 29 A 1 ATOM 203 C CA . VAL A 1 29 ? -10.733 1.442 11.508 1.00 98.66 29 A 1 ATOM 204 C C . VAL A 1 29 ? -9.546 0.879 12.284 1.00 98.66 29 A 1 ATOM 205 O O . VAL A 1 29 ? -9.060 1.486 13.236 1.00 98.32 29 A 1 ATOM 206 C CB . VAL A 1 29 ? -10.334 2.623 10.606 1.00 98.53 29 A 1 ATOM 207 C CG1 . VAL A 1 29 ? -9.286 2.190 9.576 1.00 97.94 29 A 1 ATOM 208 C CG2 . VAL A 1 29 ? -11.550 3.169 9.841 1.00 97.86 29 A 1 ATOM 209 N N . HIS A 1 30 ? -9.071 -0.296 11.887 1.00 98.71 30 A 1 ATOM 210 C CA . HIS A 1 30 ? -7.810 -0.865 12.352 1.00 98.69 30 A 1 ATOM 211 C C . HIS A 1 30 ? -6.803 -0.821 11.202 1.00 98.78 30 A 1 ATOM 212 O O . HIS A 1 30 ? -7.129 -1.202 10.084 1.00 98.57 30 A 1 ATOM 213 C CB . HIS A 1 30 ? -8.016 -2.303 12.842 1.00 98.26 30 A 1 ATOM 214 C CG . HIS A 1 30 ? -8.807 -2.488 14.113 1.00 95.95 30 A 1 ATOM 215 N ND1 . HIS A 1 30 ? -8.801 -3.648 14.866 1.00 83.62 30 A 1 ATOM 216 C CD2 . HIS A 1 30 ? -9.643 -1.616 14.760 1.00 86.26 30 A 1 ATOM 217 C CE1 . HIS A 1 30 ? -9.612 -3.465 15.920 1.00 86.02 30 A 1 ATOM 218 N NE2 . HIS A 1 30 ? -10.146 -2.243 15.903 1.00 89.53 30 A 1 ATOM 219 N N . ALA A 1 31 ? -5.579 -0.398 11.481 1.00 98.66 31 A 1 ATOM 220 C CA . ALA A 1 31 ? -4.477 -0.516 10.538 1.00 98.66 31 A 1 ATOM 221 C C . ALA A 1 31 ? -3.606 -1.721 10.911 1.00 98.63 31 A 1 ATOM 222 O O . ALA A 1 31 ? -3.300 -1.930 12.087 1.00 98.23 31 A 1 ATOM 223 C CB . ALA A 1 31 ? -3.704 0.804 10.516 1.00 98.45 31 A 1 ATOM 224 N N . ILE A 1 32 ? -3.205 -2.512 9.917 1.00 98.56 32 A 1 ATOM 225 C CA . ILE A 1 32 ? -2.239 -3.600 10.088 1.00 98.50 32 A 1 ATOM 226 C C . ILE A 1 32 ? -1.062 -3.414 9.134 1.00 98.41 32 A 1 ATOM 227 O O . ILE A 1 32 ? -1.245 -3.104 7.961 1.00 98.08 32 A 1 ATOM 228 C CB . ILE A 1 32 ? -2.881 -5.001 9.978 1.00 98.25 32 A 1 ATOM 229 C CG1 . ILE A 1 32 ? -3.499 -5.270 8.592 1.00 95.29 32 A 1 ATOM 230 C CG2 . ILE A 1 32 ? -3.912 -5.197 11.103 1.00 94.52 32 A 1 ATOM 231 C CD1 . ILE A 1 32 ? -4.023 -6.697 8.410 1.00 93.43 32 A 1 ATOM 232 N N . ALA A 1 33 ? 0.146 -3.617 9.642 1.00 97.72 33 A 1 ATOM 233 C CA . ALA A 1 33 ? 1.362 -3.709 8.845 1.00 97.23 33 A 1 ATOM 234 C C . ALA A 1 33 ? 1.950 -5.116 8.971 1.00 97.03 33 A 1 ATOM 235 O O . ALA A 1 33 ? 1.605 -5.854 9.890 1.00 96.39 33 A 1 ATOM 236 C CB . ALA A 1 33 ? 2.349 -2.629 9.289 1.00 96.57 33 A 1 ATOM 237 N N . PHE A 1 34 ? 2.839 -5.483 8.051 1.00 95.77 34 A 1 ATOM 238 C CA . PHE A 1 34 ? 3.477 -6.794 8.042 1.00 95.14 34 A 1 ATOM 239 C C . PHE A 1 34 ? 4.991 -6.665 8.099 1.00 94.06 34 A 1 ATOM 240 O O . PHE A 1 34 ? 5.593 -5.984 7.271 1.00 92.43 34 A 1 ATOM 241 C CB . PHE A 1 34 ? 3.030 -7.584 6.814 1.00 95.27 34 A 1 ATOM 242 C CG . PHE A 1 34 ? 1.579 -8.008 6.870 1.00 95.77 34 A 1 ATOM 243 C CD1 . PHE A 1 34 ? 1.232 -9.248 7.434 1.00 95.13 34 A 1 ATOM 244 C CD2 . PHE A 1 34 ? 0.571 -7.160 6.376 1.00 95.32 34 A 1 ATOM 245 C CE1 . PHE A 1 34 ? -0.114 -9.644 7.495 1.00 94.97 34 A 1 ATOM 246 C CE2 . PHE A 1 34 ? -0.777 -7.556 6.441 1.00 95.23 34 A 1 ATOM 247 C CZ . PHE A 1 34 ? -1.118 -8.800 6.996 1.00 95.51 34 A 1 ATOM 248 N N . ASN A 1 35 ? 5.598 -7.377 9.042 1.00 92.79 35 A 1 ATOM 249 C CA . ASN A 1 35 ? 7.007 -7.707 8.990 1.00 91.58 35 A 1 ATOM 250 C C . ASN A 1 35 ? 7.161 -9.055 8.274 1.00 91.02 35 A 1 ATOM 251 O O . ASN A 1 35 ? 6.641 -10.075 8.718 1.00 89.20 35 A 1 ATOM 252 C CB . ASN A 1 35 ? 7.577 -7.713 10.410 1.00 89.80 35 A 1 ATOM 253 C CG . ASN A 1 35 ? 9.051 -8.050 10.433 1.00 86.94 35 A 1 ATOM 254 O OD1 . ASN A 1 35 ? 9.746 -8.016 9.425 1.00 81.14 35 A 1 ATOM 255 N ND2 . ASN A 1 35 ? 9.563 -8.403 11.579 1.00 79.92 35 A 1 ATOM 256 N N . TYR A 1 36 ? 7.845 -9.050 7.122 1.00 88.77 36 A 1 ATOM 257 C CA . TYR A 1 36 ? 8.061 -10.231 6.281 1.00 86.86 36 A 1 ATOM 258 C C . TYR A 1 36 ? 9.545 -10.434 5.943 1.00 85.30 36 A 1 ATOM 259 O O . TYR A 1 36 ? 9.892 -11.184 5.028 1.00 80.74 36 A 1 ATOM 260 C CB . TYR A 1 36 ? 7.158 -10.153 5.034 1.00 85.31 36 A 1 ATOM 261 C CG . TYR A 1 36 ? 7.391 -8.952 4.139 1.00 84.79 36 A 1 ATOM 262 C CD1 . TYR A 1 36 ? 6.691 -7.750 4.374 1.00 83.02 36 A 1 ATOM 263 C CD2 . TYR A 1 36 ? 8.303 -9.026 3.070 1.00 83.29 36 A 1 ATOM 264 C CE1 . TYR A 1 36 ? 6.915 -6.627 3.554 1.00 80.68 36 A 1 ATOM 265 C CE2 . TYR A 1 36 ? 8.532 -7.901 2.248 1.00 80.52 36 A 1 ATOM 266 C CZ . TYR A 1 36 ? 7.841 -6.699 2.492 1.00 80.38 36 A 1 ATOM 267 O OH . TYR A 1 36 ? 8.073 -5.609 1.710 1.00 77.36 36 A 1 ATOM 268 N N . GLY A 1 37 ? 10.436 -9.770 6.679 1.00 80.61 37 A 1 ATOM 269 C CA . GLY A 1 37 ? 11.869 -9.759 6.401 1.00 78.06 37 A 1 ATOM 270 C C . GLY A 1 37 ? 12.261 -8.771 5.304 1.00 78.32 37 A 1 ATOM 271 O O . GLY A 1 37 ? 13.219 -9.017 4.564 1.00 74.32 37 A 1 ATOM 272 N N . GLN A 1 38 ? 11.514 -7.662 5.174 1.00 76.39 38 A 1 ATOM 273 C CA . GLN A 1 38 ? 11.885 -6.562 4.290 1.00 74.53 38 A 1 ATOM 274 C C . GLN A 1 38 ? 13.230 -5.940 4.689 1.00 72.27 38 A 1 ATOM 275 O O . GLN A 1 38 ? 13.671 -6.008 5.831 1.00 69.40 38 A 1 ATOM 276 C CB . GLN A 1 38 ? 10.776 -5.503 4.196 1.00 73.85 38 A 1 ATOM 277 C CG . GLN A 1 38 ? 10.407 -4.747 5.485 1.00 70.80 38 A 1 ATOM 278 C CD . GLN A 1 38 ? 9.267 -5.392 6.268 1.00 68.75 38 A 1 ATOM 279 O OE1 . GLN A 1 38 ? 9.187 -6.595 6.450 1.00 65.28 38 A 1 ATOM 280 N NE2 . GLN A 1 38 ? 8.328 -4.619 6.760 1.00 62.63 38 A 1 ATOM 281 N N . LYS A 1 39 ? 13.876 -5.306 3.715 1.00 65.58 39 A 1 ATOM 282 C CA . LYS A 1 39 ? 15.226 -4.747 3.846 1.00 64.18 39 A 1 ATOM 283 C C . LYS A 1 39 ? 15.311 -3.607 4.872 1.00 64.02 39 A 1 ATOM 284 O O . LYS A 1 39 ? 16.380 -3.398 5.447 1.00 58.86 39 A 1 ATOM 285 C CB . LYS A 1 39 ? 15.678 -4.307 2.439 1.00 59.78 39 A 1 ATOM 286 C CG . LYS A 1 39 ? 17.178 -4.014 2.330 1.00 55.93 39 A 1 ATOM 287 C CD . LYS A 1 39 ? 17.532 -3.768 0.854 1.00 54.96 39 A 1 ATOM 288 C CE . LYS A 1 39 ? 19.021 -3.463 0.661 1.00 51.99 39 A 1 ATOM 289 N NZ . LYS A 1 39 ? 19.320 -3.261 -0.785 1.00 47.97 39 A 1 ATOM 290 N N . HIS A 1 40 ? 14.203 -2.884 5.104 1.00 66.03 40 A 1 ATOM 291 C CA . HIS A 1 40 ? 14.201 -1.646 5.885 1.00 64.50 40 A 1 ATOM 292 C C . HIS A 1 40 ? 13.050 -1.585 6.895 1.00 67.53 40 A 1 ATOM 293 O O . HIS A 1 40 ? 11.885 -1.708 6.526 1.00 62.75 40 A 1 ATOM 294 C CB . HIS A 1 40 ? 14.145 -0.450 4.921 1.00 56.86 40 A 1 ATOM 295 C CG . HIS A 1 40 ? 15.232 -0.509 3.869 1.00 50.72 40 A 1 ATOM 296 N ND1 . HIS A 1 40 ? 16.568 -0.758 4.102 1.00 45.31 40 A 1 ATOM 297 C CD2 . HIS A 1 40 ? 15.067 -0.448 2.514 1.00 43.34 40 A 1 ATOM 298 C CE1 . HIS A 1 40 ? 17.191 -0.844 2.912 1.00 39.99 40 A 1 ATOM 299 N NE2 . HIS A 1 40 ? 16.313 -0.666 1.917 1.00 40.77 40 A 1 ATOM 300 N N . GLU A 1 41 ? 13.373 -1.317 8.174 1.00 75.51 41 A 1 ATOM 301 C CA . GLU A 1 41 ? 12.385 -1.132 9.248 1.00 78.12 41 A 1 ATOM 302 C C . GLU A 1 41 ? 11.608 0.192 9.125 1.00 81.83 41 A 1 ATOM 303 O O . GLU A 1 41 ? 10.489 0.307 9.623 1.00 78.90 41 A 1 ATOM 304 C CB . GLU A 1 41 ? 13.084 -1.230 10.615 1.00 72.81 41 A 1 ATOM 305 C CG . GLU A 1 41 ? 13.653 -2.642 10.873 1.00 64.66 41 A 1 ATOM 306 C CD . GLU A 1 41 ? 14.311 -2.808 12.257 1.00 59.86 41 A 1 ATOM 307 O OE1 . GLU A 1 41 ? 14.582 -3.977 12.618 1.00 54.00 41 A 1 ATOM 308 O OE2 . GLU A 1 41 ? 14.577 -1.786 12.922 1.00 53.18 41 A 1 ATOM 309 N N . ALA A 1 42 ? 12.145 1.167 8.388 1.00 86.50 42 A 1 ATOM 310 C CA . ALA A 1 42 ? 11.537 2.483 8.181 1.00 87.67 42 A 1 ATOM 311 C C . ALA A 1 42 ? 10.091 2.418 7.649 1.00 90.10 42 A 1 ATOM 312 O O . ALA A 1 42 ? 9.267 3.254 8.008 1.00 89.08 42 A 1 ATOM 313 C CB . ALA A 1 42 ? 12.440 3.282 7.228 1.00 84.72 42 A 1 ATOM 314 N N . GLU A 1 43 ? 9.737 1.407 6.838 1.00 89.20 43 A 1 ATOM 315 C CA . GLU A 1 43 ? 8.360 1.222 6.365 1.00 90.10 43 A 1 ATOM 316 C C . GLU A 1 43 ? 7.374 1.048 7.530 1.00 92.27 43 A 1 ATOM 317 O O . GLU A 1 43 ? 6.303 1.656 7.543 1.00 92.38 43 A 1 ATOM 318 C CB . GLU A 1 43 ? 8.266 -0.005 5.437 1.00 87.40 43 A 1 ATOM 319 C CG . GLU A 1 43 ? 9.010 0.166 4.102 1.00 77.85 43 A 1 ATOM 320 C CD . GLU A 1 43 ? 8.842 -1.045 3.155 1.00 77.66 43 A 1 ATOM 321 O OE1 . GLU A 1 43 ? 9.439 -0.999 2.052 1.00 69.57 43 A 1 ATOM 322 O OE2 . GLU A 1 43 ? 8.133 -2.016 3.520 1.00 69.75 43 A 1 ATOM 323 N N . LEU A 1 44 ? 7.740 0.255 8.545 1.00 92.15 44 A 1 ATOM 324 C CA . LEU A 1 44 ? 6.904 0.009 9.721 1.00 93.19 44 A 1 ATOM 325 C C . LEU A 1 44 ? 6.787 1.259 10.602 1.00 94.28 44 A 1 ATOM 326 O O . LEU A 1 44 ? 5.715 1.528 11.144 1.00 94.41 44 A 1 ATOM 327 C CB . LEU A 1 44 ? 7.466 -1.177 10.530 1.00 92.73 44 A 1 ATOM 328 C CG . LEU A 1 44 ? 7.493 -2.523 9.785 1.00 91.09 44 A 1 ATOM 329 C CD1 . LEU A 1 44 ? 8.108 -3.593 10.691 1.00 89.70 44 A 1 ATOM 330 C CD2 . LEU A 1 44 ? 6.095 -2.991 9.379 1.00 89.39 44 A 1 ATOM 331 N N . GLU A 1 45 ? 7.850 2.056 10.715 1.00 93.59 45 A 1 ATOM 332 C CA . GLU A 1 45 ? 7.833 3.334 11.428 1.00 93.54 45 A 1 ATOM 333 C C . GLU A 1 45 ? 6.922 4.355 10.734 1.00 94.61 45 A 1 ATOM 334 O O . GLU A 1 45 ? 6.093 4.991 11.384 1.00 94.72 45 A 1 ATOM 335 C CB . GLU A 1 45 ? 9.249 3.910 11.537 1.00 92.17 45 A 1 ATOM 336 C CG . GLU A 1 45 ? 10.184 3.055 12.408 1.00 82.35 45 A 1 ATOM 337 C CD . GLU A 1 45 ? 11.589 3.671 12.549 1.00 79.12 45 A 1 ATOM 338 O OE1 . GLU A 1 45 ? 12.374 3.120 13.352 1.00 71.41 45 A 1 ATOM 339 O OE2 . GLU A 1 45 ? 11.861 4.695 11.877 1.00 71.32 45 A 1 ATOM 340 N N . ASN A 1 46 ? 7.012 4.480 9.401 1.00 94.18 46 A 1 ATOM 341 C CA . ASN A 1 46 ? 6.119 5.346 8.630 1.00 94.61 46 A 1 ATOM 342 C C . ASN A 1 46 ? 4.656 4.901 8.769 1.00 95.92 46 A 1 ATOM 343 O O . ASN A 1 46 ? 3.782 5.732 9.017 1.00 96.19 46 A 1 ATOM 344 C CB . ASN A 1 46 ? 6.568 5.383 7.157 1.00 93.67 46 A 1 ATOM 345 C CG . ASN A 1 46 ? 7.833 6.206 6.956 1.00 91.02 46 A 1 ATOM 346 O OD1 . ASN A 1 46 ? 8.908 5.705 6.706 1.00 81.71 46 A 1 ATOM 347 N ND2 . ASN A 1 46 ? 7.738 7.509 7.038 1.00 80.26 46 A 1 ATOM 348 N N . ALA A 1 47 ? 4.382 3.592 8.705 1.00 95.39 47 A 1 ATOM 349 C CA . ALA A 1 47 ? 3.044 3.055 8.931 1.00 96.20 47 A 1 ATOM 350 C C . ALA A 1 47 ? 2.517 3.399 10.337 1.00 97.03 47 A 1 ATOM 351 O O . ALA A 1 47 ? 1.380 3.848 10.483 1.00 97.33 47 A 1 ATOM 352 C CB . ALA A 1 47 ? 3.081 1.539 8.694 1.00 96.11 47 A 1 ATOM 353 N N . ALA A 1 48 ? 3.354 3.254 11.374 1.00 96.51 48 A 1 ATOM 354 C CA . ALA A 1 48 ? 3.000 3.610 12.743 1.00 96.94 48 A 1 ATOM 355 C C . ALA A 1 48 ? 2.697 5.110 12.891 1.00 97.45 48 A 1 ATOM 356 O O . ALA A 1 48 ? 1.703 5.472 13.519 1.00 97.47 48 A 1 ATOM 357 C CB . ALA A 1 48 ? 4.129 3.164 13.678 1.00 96.71 48 A 1 ATOM 358 N N . ASN A 1 49 ? 3.501 5.984 12.272 1.00 96.96 49 A 1 ATOM 359 C CA . ASN A 1 49 ? 3.300 7.435 12.299 1.00 97.06 49 A 1 ATOM 360 C C . ASN A 1 49 ? 1.990 7.850 11.612 1.00 97.86 49 A 1 ATOM 361 O O . ASN A 1 49 ? 1.227 8.642 12.166 1.00 97.89 49 A 1 ATOM 362 C CB . ASN A 1 49 ? 4.518 8.118 11.651 1.00 96.30 49 A 1 ATOM 363 C CG . ASN A 1 49 ? 5.776 8.014 12.497 1.00 94.50 49 A 1 ATOM 364 O OD1 . ASN A 1 49 ? 5.733 7.898 13.711 1.00 88.74 49 A 1 ATOM 365 N ND2 . ASN A 1 49 ? 6.934 8.086 11.889 1.00 88.02 49 A 1 ATOM 366 N N . VAL A 1 50 ? 1.684 7.272 10.448 1.00 97.45 50 A 1 ATOM 367 C CA . VAL A 1 50 ? 0.415 7.517 9.741 1.00 98.01 50 A 1 ATOM 368 C C . VAL A 1 50 ? -0.775 7.015 10.570 1.00 98.37 50 A 1 ATOM 369 O O . VAL A 1 50 ? -1.763 7.730 10.738 1.00 98.36 50 A 1 ATOM 370 C CB . VAL A 1 50 ? 0.440 6.877 8.336 1.00 97.92 50 A 1 ATOM 371 C CG1 . VAL A 1 50 ? -0.916 6.979 7.627 1.00 97.25 50 A 1 ATOM 372 C CG2 . VAL A 1 50 ? 1.468 7.562 7.425 1.00 97.20 50 A 1 ATOM 373 N N . ALA A 1 51 ? -0.685 5.821 11.162 1.00 98.25 51 A 1 ATOM 374 C CA . ALA A 1 51 ? -1.741 5.291 12.026 1.00 98.44 51 A 1 ATOM 375 C C . ALA A 1 51 ? -1.973 6.168 13.271 1.00 98.54 51 A 1 ATOM 376 O O . ALA A 1 51 ? -3.121 6.418 13.650 1.00 98.44 51 A 1 ATOM 377 C CB . ALA A 1 51 ? -1.374 3.856 12.413 1.00 98.41 51 A 1 ATOM 378 N N . MET A 1 52 ? -0.892 6.672 13.885 1.00 98.53 52 A 1 ATOM 379 C CA . MET A 1 52 ? -0.943 7.591 15.022 1.00 98.50 52 A 1 ATOM 380 C C . MET A 1 52 ? -1.611 8.917 14.652 1.00 98.62 52 A 1 ATOM 381 O O . MET A 1 52 ? -2.450 9.396 15.414 1.00 98.36 52 A 1 ATOM 382 C CB . MET A 1 52 ? 0.477 7.819 15.557 1.00 98.12 52 A 1 ATOM 383 C CG . MET A 1 52 ? 0.487 8.682 16.829 1.00 91.04 52 A 1 ATOM 384 S SD . MET A 1 52 ? 2.128 9.102 17.473 1.00 85.06 52 A 1 ATOM 385 C CE . MET A 1 52 ? 2.833 7.460 17.770 1.00 71.20 52 A 1 ATOM 386 N N . PHE A 1 53 ? -1.290 9.484 13.481 1.00 98.42 53 A 1 ATOM 387 C CA . PHE A 1 53 ? -1.913 10.709 12.978 1.00 98.54 53 A 1 ATOM 388 C C . PHE A 1 53 ? -3.440 10.581 12.914 1.00 98.63 53 A 1 ATOM 389 O O . PHE A 1 53 ? -4.159 11.458 13.385 1.00 98.47 53 A 1 ATOM 390 C CB . PHE A 1 53 ? -1.323 11.047 11.603 1.00 98.51 53 A 1 ATOM 391 C CG . PHE A 1 53 ? -1.947 12.262 10.953 1.00 98.44 53 A 1 ATOM 392 C CD1 . PHE A 1 53 ? -3.088 12.121 10.141 1.00 97.91 53 A 1 ATOM 393 C CD2 . PHE A 1 53 ? -1.406 13.542 11.175 1.00 98.00 53 A 1 ATOM 394 C CE1 . PHE A 1 53 ? -3.684 13.254 9.556 1.00 97.47 53 A 1 ATOM 395 C CE2 . PHE A 1 53 ? -1.997 14.672 10.589 1.00 97.43 53 A 1 ATOM 396 C CZ . PHE A 1 53 ? -3.138 14.529 9.779 1.00 97.45 53 A 1 ATOM 397 N N . TYR A 1 54 ? -3.942 9.452 12.405 1.00 98.58 54 A 1 ATOM 398 C CA . TYR A 1 54 ? -5.382 9.188 12.325 1.00 98.59 54 A 1 ATOM 399 C C . TYR A 1 54 ? -6.006 8.691 13.640 1.00 98.57 54 A 1 ATOM 400 O O . TYR A 1 54 ? -7.232 8.567 13.733 1.00 97.99 54 A 1 ATOM 401 C CB . TYR A 1 54 ? -5.648 8.224 11.166 1.00 98.54 54 A 1 ATOM 402 C CG . TYR A 1 54 ? -5.538 8.892 9.808 1.00 98.62 54 A 1 ATOM 403 C CD1 . TYR A 1 54 ? -6.516 9.825 9.418 1.00 98.26 54 A 1 ATOM 404 C CD2 . TYR A 1 54 ? -4.467 8.601 8.948 1.00 98.29 54 A 1 ATOM 405 C CE1 . TYR A 1 54 ? -6.419 10.474 8.175 1.00 98.05 54 A 1 ATOM 406 C CE2 . TYR A 1 54 ? -4.364 9.250 7.702 1.00 98.08 54 A 1 ATOM 407 C CZ . TYR A 1 54 ? -5.340 10.192 7.318 1.00 98.24 54 A 1 ATOM 408 O OH . TYR A 1 54 ? -5.240 10.836 6.129 1.00 97.55 54 A 1 ATOM 409 N N . GLY A 1 55 ? -5.208 8.386 14.671 1.00 98.37 55 A 1 ATOM 410 C CA . GLY A 1 55 ? -5.692 7.838 15.940 1.00 98.30 55 A 1 ATOM 411 C C . GLY A 1 55 ? -6.378 6.476 15.797 1.00 98.45 55 A 1 ATOM 412 O O . GLY A 1 55 ? -7.326 6.177 16.528 1.00 97.62 55 A 1 ATOM 413 N N . VAL A 1 56 ? -5.936 5.655 14.837 1.00 98.57 56 A 1 ATOM 414 C CA . VAL A 1 56 ? -6.456 4.301 14.616 1.00 98.55 56 A 1 ATOM 415 C C . VAL A 1 56 ? -5.664 3.269 15.414 1.00 98.55 56 A 1 ATOM 416 O O . VAL A 1 56 ? -4.489 3.452 15.722 1.00 97.99 56 A 1 ATOM 417 C CB . VAL A 1 56 ? -6.516 3.909 13.125 1.00 97.95 56 A 1 ATOM 418 C CG1 . VAL A 1 56 ? -7.373 4.888 12.323 1.00 95.94 56 A 1 ATOM 419 C CG2 . VAL A 1 56 ? -5.138 3.784 12.478 1.00 95.11 56 A 1 ATOM 420 N N . LYS A 1 57 ? -6.295 2.130 15.732 1.00 98.51 57 A 1 ATOM 421 C CA . LYS A 1 57 ? -5.571 0.995 16.307 1.00 98.43 57 A 1 ATOM 422 C C . LYS A 1 57 ? -4.606 0.434 15.268 1.00 98.57 57 A 1 ATOM 423 O O . LYS A 1 57 ? -5.034 0.060 14.180 1.00 98.23 57 A 1 ATOM 424 C CB . LYS A 1 57 ? -6.565 -0.057 16.810 1.00 97.80 57 A 1 ATOM 425 C CG . LYS A 1 57 ? -5.827 -1.224 17.480 1.00 92.55 57 A 1 ATOM 426 C CD . LYS A 1 57 ? -6.823 -2.239 18.049 1.00 86.07 57 A 1 ATOM 427 C CE . LYS A 1 57 ? -6.043 -3.398 18.664 1.00 78.17 57 A 1 ATOM 428 N NZ . LYS A 1 57 ? -6.953 -4.457 19.156 1.00 67.26 57 A 1 ATOM 429 N N . PHE A 1 58 ? -3.331 0.303 15.641 1.00 98.34 58 A 1 ATOM 430 C CA . PHE A 1 58 ? -2.277 -0.237 14.787 1.00 98.30 58 A 1 ATOM 431 C C . PHE A 1 58 ? -1.742 -1.561 15.338 1.00 98.26 58 A 1 ATOM 432 O O . PHE A 1 58 ? -1.597 -1.729 16.547 1.00 97.69 58 A 1 ATOM 433 C CB . PHE A 1 58 ? -1.180 0.822 14.628 1.00 98.01 58 A 1 ATOM 434 C CG . PHE A 1 58 ? -0.073 0.429 13.673 1.00 98.01 58 A 1 ATOM 435 C CD1 . PHE A 1 58 ? 1.261 0.368 14.124 1.00 97.17 58 A 1 ATOM 436 C CD2 . PHE A 1 58 ? -0.366 0.141 12.331 1.00 97.25 58 A 1 ATOM 437 C CE1 . PHE A 1 58 ? 2.290 0.040 13.229 1.00 96.66 58 A 1 ATOM 438 C CE2 . PHE A 1 58 ? 0.665 -0.195 11.439 1.00 96.61 58 A 1 ATOM 439 C CZ . PHE A 1 58 ? 1.994 -0.238 11.888 1.00 96.76 58 A 1 ATOM 440 N N . THR A 1 59 ? -1.495 -2.529 14.457 1.00 98.21 59 A 1 ATOM 441 C CA . THR A 1 59 ? -0.920 -3.833 14.810 1.00 98.12 59 A 1 ATOM 442 C C . THR A 1 59 ? 0.060 -4.271 13.726 1.00 98.00 59 A 1 ATOM 443 O O . THR A 1 59 ? -0.271 -4.217 12.548 1.00 97.40 59 A 1 ATOM 444 C CB . THR A 1 59 ? -2.024 -4.896 14.986 1.00 97.91 59 A 1 ATOM 445 O OG1 . THR A 1 59 ? -2.953 -4.468 15.966 1.00 95.14 59 A 1 ATOM 446 C CG2 . THR A 1 59 ? -1.500 -6.250 15.456 1.00 94.75 59 A 1 ATOM 447 N N . ILE A 1 60 ? 1.239 -4.732 14.133 1.00 97.10 60 A 1 ATOM 448 C CA . ILE A 1 60 ? 2.205 -5.360 13.231 1.00 96.68 60 A 1 ATOM 449 C C . ILE A 1 60 ? 2.002 -6.876 13.313 1.00 96.72 60 A 1 ATOM 450 O O . ILE A 1 60 ? 1.980 -7.443 14.408 1.00 96.20 60 A 1 ATOM 451 C CB . ILE A 1 60 ? 3.653 -4.921 13.550 1.00 95.84 60 A 1 ATOM 452 C CG1 . ILE A 1 60 ? 3.794 -3.383 13.434 1.00 94.46 60 A 1 ATOM 453 C CG2 . ILE A 1 60 ? 4.638 -5.624 12.597 1.00 94.12 60 A 1 ATOM 454 C CD1 . ILE A 1 60 ? 5.127 -2.829 13.948 1.00 90.52 60 A 1 ATOM 455 N N . LEU A 1 61 ? 1.812 -7.518 12.159 1.00 96.82 61 A 1 ATOM 456 C CA . LEU A 1 61 ? 1.724 -8.966 12.002 1.00 96.57 61 A 1 ATOM 457 C C . LEU A 1 61 ? 3.026 -9.496 11.394 1.00 96.00 61 A 1 ATOM 458 O O . LEU A 1 61 ? 3.728 -8.791 10.676 1.00 95.32 61 A 1 ATOM 459 C CB . LEU A 1 61 ? 0.500 -9.334 11.146 1.00 96.98 61 A 1 ATOM 460 C CG . LEU A 1 61 ? -0.858 -8.839 11.682 1.00 96.58 61 A 1 ATOM 461 C CD1 . LEU A 1 61 ? -1.981 -9.313 10.754 1.00 95.19 61 A 1 ATOM 462 C CD2 . LEU A 1 61 ? -1.168 -9.362 13.086 1.00 94.97 61 A 1 ATOM 463 N N . GLU A 1 62 ? 3.327 -10.761 11.666 1.00 94.13 62 A 1 ATOM 464 C CA . GLU A 1 62 ? 4.539 -11.418 11.186 1.00 94.05 62 A 1 ATOM 465 C C . GLU A 1 62 ? 4.214 -12.408 10.061 1.00 94.56 62 A 1 ATOM 466 O O . GLU A 1 62 ? 3.289 -13.218 10.164 1.00 93.60 62 A 1 ATOM 467 C CB . GLU A 1 62 ? 5.250 -12.130 12.351 1.00 92.28 62 A 1 ATOM 468 C CG . GLU A 1 62 ? 5.743 -11.182 13.464 1.00 86.26 62 A 1 ATOM 469 C CD . GLU A 1 62 ? 6.860 -10.227 13.005 1.00 84.88 62 A 1 ATOM 470 O OE1 . GLU A 1 62 ? 6.980 -9.132 13.592 1.00 77.88 62 A 1 ATOM 471 O OE2 . GLU A 1 62 ? 7.615 -10.591 12.083 1.00 77.08 62 A 1 ATOM 472 N N . ILE A 1 63 ? 5.019 -12.372 8.996 1.00 92.63 63 A 1 ATOM 473 C CA . ILE A 1 63 ? 5.098 -13.432 7.990 1.00 92.02 63 A 1 ATOM 474 C C . ILE A 1 63 ? 6.472 -14.083 8.150 1.00 91.43 63 A 1 ATOM 475 O O . ILE A 1 63 ? 7.491 -13.402 8.071 1.00 89.46 63 A 1 ATOM 476 C CB . ILE A 1 63 ? 4.865 -12.881 6.564 1.00 91.18 63 A 1 ATOM 477 C CG1 . ILE A 1 63 ? 3.426 -12.333 6.423 1.00 89.55 63 A 1 ATOM 478 C CG2 . ILE A 1 63 ? 5.123 -13.979 5.514 1.00 89.62 63 A 1 ATOM 479 C CD1 . ILE A 1 63 ? 3.160 -11.599 5.100 1.00 85.90 63 A 1 ATOM 480 N N . ASP A 1 64 ? 6.518 -15.402 8.366 1.00 89.29 64 A 1 ATOM 481 C CA . ASP A 1 64 ? 7.793 -16.117 8.493 1.00 88.46 64 A 1 ATOM 482 C C . ASP A 1 64 ? 8.639 -15.941 7.221 1.00 87.43 64 A 1 ATOM 483 O O . ASP A 1 64 ? 8.344 -16.511 6.170 1.00 85.40 64 A 1 ATOM 484 C CB . ASP A 1 64 ? 7.560 -17.604 8.828 1.00 87.83 64 A 1 ATOM 485 C CG . ASP A 1 64 ? 8.864 -18.392 9.086 1.00 87.41 64 A 1 ATOM 486 O OD1 . ASP A 1 64 ? 9.976 -17.838 8.899 1.00 83.44 64 A 1 ATOM 487 O OD2 . ASP A 1 64 ? 8.783 -19.572 9.492 1.00 82.94 64 A 1 ATOM 488 N N . SER A 1 65 ? 9.717 -15.167 7.330 1.00 85.43 65 A 1 ATOM 489 C CA . SER A 1 65 ? 10.607 -14.842 6.209 1.00 83.81 65 A 1 ATOM 490 C C . SER A 1 65 ? 11.288 -16.066 5.585 1.00 84.06 65 A 1 ATOM 491 O O . SER A 1 65 ? 11.751 -16.004 4.447 1.00 81.90 65 A 1 ATOM 492 C CB . SER A 1 65 ? 11.650 -13.820 6.665 1.00 80.92 65 A 1 ATOM 493 O OG . SER A 1 65 ? 12.450 -14.340 7.707 1.00 75.08 65 A 1 ATOM 494 N N . LYS A 1 66 ? 11.309 -17.221 6.281 1.00 83.76 66 A 1 ATOM 495 C CA . LYS A 1 66 ? 11.853 -18.476 5.742 1.00 83.51 66 A 1 ATOM 496 C C . LYS A 1 66 ? 11.137 -18.947 4.480 1.00 83.93 66 A 1 ATOM 497 O O . LYS A 1 66 ? 11.766 -19.605 3.655 1.00 82.36 66 A 1 ATOM 498 C CB . LYS A 1 66 ? 11.772 -19.579 6.799 1.00 83.36 66 A 1 ATOM 499 C CG . LYS A 1 66 ? 12.738 -19.337 7.958 1.00 78.86 66 A 1 ATOM 500 C CD . LYS A 1 66 ? 12.468 -20.379 9.041 1.00 75.35 66 A 1 ATOM 501 C CE . LYS A 1 66 ? 13.316 -20.081 10.271 1.00 69.27 66 A 1 ATOM 502 N NZ . LYS A 1 66 ? 12.871 -20.914 11.407 1.00 61.80 66 A 1 ATOM 503 N N . ILE A 1 67 ? 9.861 -18.576 4.286 1.00 84.57 67 A 1 ATOM 504 C CA . ILE A 1 67 ? 9.118 -18.901 3.058 1.00 84.62 67 A 1 ATOM 505 C C . ILE A 1 67 ? 9.751 -18.262 1.808 1.00 83.61 67 A 1 ATOM 506 O O . ILE A 1 67 ? 9.579 -18.760 0.707 1.00 80.75 67 A 1 ATOM 507 C CB . ILE A 1 67 ? 7.632 -18.511 3.193 1.00 83.73 67 A 1 ATOM 508 C CG1 . ILE A 1 67 ? 7.448 -16.984 3.082 1.00 76.63 67 A 1 ATOM 509 C CG2 . ILE A 1 67 ? 6.997 -19.145 4.447 1.00 76.04 67 A 1 ATOM 510 C CD1 . ILE A 1 67 ? 6.081 -16.478 3.512 1.00 72.52 67 A 1 ATOM 511 N N . TYR A 1 68 ? 10.517 -17.189 1.994 1.00 80.83 68 A 1 ATOM 512 C CA . TYR A 1 68 ? 11.216 -16.453 0.941 1.00 79.80 68 A 1 ATOM 513 C C . TYR A 1 68 ? 12.716 -16.770 0.858 1.00 77.93 68 A 1 ATOM 514 O O . TYR A 1 68 ? 13.463 -16.080 0.165 1.00 73.55 68 A 1 ATOM 515 C CB . TYR A 1 68 ? 10.977 -14.956 1.140 1.00 80.21 68 A 1 ATOM 516 C CG . TYR A 1 68 ? 9.522 -14.533 1.163 1.00 80.45 68 A 1 ATOM 517 C CD1 . TYR A 1 68 ? 8.667 -14.867 0.096 1.00 79.18 68 A 1 ATOM 518 C CD2 . TYR A 1 68 ? 9.033 -13.778 2.247 1.00 80.40 68 A 1 ATOM 519 C CE1 . TYR A 1 68 ? 7.328 -14.435 0.104 1.00 78.69 68 A 1 ATOM 520 C CE2 . TYR A 1 68 ? 7.699 -13.341 2.257 1.00 79.06 68 A 1 ATOM 521 C CZ . TYR A 1 68 ? 6.845 -13.664 1.183 1.00 78.95 68 A 1 ATOM 522 O OH . TYR A 1 68 ? 5.566 -13.224 1.187 1.00 76.79 68 A 1 ATOM 523 N N . SER A 1 69 ? 13.192 -17.811 1.556 1.00 77.12 69 A 1 ATOM 524 C CA . SER A 1 69 ? 14.622 -18.170 1.608 1.00 75.33 69 A 1 ATOM 525 C C . SER A 1 69 ? 15.264 -18.382 0.228 1.00 74.78 69 A 1 ATOM 526 O O . SER A 1 69 ? 16.430 -18.026 0.039 1.00 71.22 69 A 1 ATOM 527 C CB . SER A 1 69 ? 14.819 -19.424 2.463 1.00 74.32 69 A 1 ATOM 528 O OG . SER A 1 69 ? 13.954 -20.465 2.064 1.00 68.91 69 A 1 ATOM 529 N N . SER A 1 70 ? 14.482 -18.892 -0.737 1.00 73.87 70 A 1 ATOM 530 C CA . SER A 1 70 ? 14.907 -19.115 -2.126 1.00 73.02 70 A 1 ATOM 531 C C . SER A 1 70 ? 14.558 -17.966 -3.084 1.00 73.46 70 A 1 ATOM 532 O O . SER A 1 70 ? 14.857 -18.061 -4.273 1.00 69.52 70 A 1 ATOM 533 C CB . SER A 1 70 ? 14.307 -20.426 -2.647 1.00 71.33 70 A 1 ATOM 534 O OG . SER A 1 70 ? 14.635 -21.497 -1.786 1.00 66.26 70 A 1 ATOM 535 N N . SER A 1 71 ? 13.920 -16.888 -2.607 1.00 67.20 71 A 1 ATOM 536 C CA . SER A 1 71 ? 13.610 -15.717 -3.433 1.00 67.31 71 A 1 ATOM 537 C C . SER A 1 71 ? 14.859 -14.865 -3.660 1.00 67.60 71 A 1 ATOM 538 O O . SER A 1 71 ? 15.691 -14.696 -2.765 1.00 64.22 71 A 1 ATOM 539 C CB . SER A 1 71 ? 12.493 -14.884 -2.803 1.00 65.99 71 A 1 ATOM 540 O OG . SER A 1 71 ? 12.169 -13.787 -3.628 1.00 61.04 71 A 1 ATOM 541 N N . SER A 1 72 ? 14.968 -14.288 -4.858 1.00 62.43 72 A 1 ATOM 542 C CA . SER A 1 72 ? 16.005 -13.322 -5.236 1.00 62.69 72 A 1 ATOM 543 C C . SER A 1 72 ? 15.526 -11.867 -5.179 1.00 64.30 72 A 1 ATOM 544 O O . SER A 1 72 ? 16.255 -10.985 -5.621 1.00 59.15 72 A 1 ATOM 545 C CB . SER A 1 72 ? 16.539 -13.655 -6.632 1.00 58.69 72 A 1 ATOM 546 O OG . SER A 1 72 ? 15.485 -13.663 -7.569 1.00 53.76 72 A 1 ATOM 547 N N . SER A 1 73 ? 14.305 -11.601 -4.655 1.00 58.98 73 A 1 ATOM 548 C CA . SER A 1 73 ? 13.736 -10.249 -4.608 1.00 59.59 73 A 1 ATOM 549 C C . SER A 1 73 ? 14.652 -9.270 -3.871 1.00 60.32 73 A 1 ATOM 550 O O . SER A 1 73 ? 15.054 -9.519 -2.733 1.00 57.34 73 A 1 ATOM 551 C CB . SER A 1 73 ? 12.362 -10.261 -3.939 1.00 58.34 73 A 1 ATOM 552 O OG . SER A 1 73 ? 11.865 -8.940 -3.823 1.00 52.94 73 A 1 ATOM 553 N N . SER A 1 74 ? 14.925 -8.126 -4.498 1.00 55.26 74 A 1 ATOM 554 C CA . SER A 1 74 ? 15.783 -7.072 -3.940 1.00 53.75 74 A 1 ATOM 555 C C . SER A 1 74 ? 15.166 -6.329 -2.745 1.00 54.98 74 A 1 ATOM 556 O O . SER A 1 74 ? 15.876 -5.592 -2.054 1.00 52.09 74 A 1 ATOM 557 C CB . SER A 1 74 ? 16.167 -6.088 -5.049 1.00 49.73 74 A 1 ATOM 558 O OG . SER A 1 74 ? 15.016 -5.517 -5.633 1.00 46.07 74 A 1 ATOM 559 N N . LEU A 1 75 ? 13.870 -6.541 -2.454 1.00 56.68 75 A 1 ATOM 560 C CA . LEU A 1 75 ? 13.198 -5.996 -1.264 1.00 55.87 75 A 1 ATOM 561 C C . LEU A 1 75 ? 13.436 -6.818 0.008 1.00 56.89 75 A 1 ATOM 562 O O . LEU A 1 75 ? 13.123 -6.348 1.102 1.00 53.33 75 A 1 ATOM 563 C CB . LEU A 1 75 ? 11.689 -5.862 -1.518 1.00 51.10 75 A 1 ATOM 564 C CG . LEU A 1 75 ? 11.297 -4.807 -2.561 1.00 45.55 75 A 1 ATOM 565 C CD1 . LEU A 1 75 ? 9.771 -4.706 -2.611 1.00 44.20 75 A 1 ATOM 566 C CD2 . LEU A 1 75 ? 11.851 -3.420 -2.231 1.00 41.99 75 A 1 ATOM 567 N N . LEU A 1 76 ? 13.966 -8.035 -0.101 1.00 55.88 76 A 1 ATOM 568 C CA . LEU A 1 76 ? 14.255 -8.891 1.046 1.00 55.02 76 A 1 ATOM 569 C C . LEU A 1 76 ? 15.637 -8.582 1.627 1.00 53.79 76 A 1 ATOM 570 O O . LEU A 1 76 ? 16.597 -8.313 0.905 1.00 50.48 76 A 1 ATOM 571 C CB . LEU A 1 76 ? 14.119 -10.364 0.648 1.00 52.88 76 A 1 ATOM 572 C CG . LEU A 1 76 ? 12.698 -10.769 0.222 1.00 48.87 76 A 1 ATOM 573 C CD1 . LEU A 1 76 ? 12.729 -12.187 -0.348 1.00 44.68 76 A 1 ATOM 574 C CD2 . LEU A 1 76 ? 11.707 -10.747 1.386 1.00 44.72 76 A 1 ATOM 575 N N . GLN A 1 77 ? 15.751 -8.663 2.957 1.00 52.15 77 A 1 ATOM 576 C CA . GLN A 1 77 ? 16.998 -8.391 3.659 1.00 51.28 77 A 1 ATOM 577 C C . GLN A 1 77 ? 18.138 -9.293 3.152 1.00 50.59 77 A 1 ATOM 578 O O . GLN A 1 77 ? 18.004 -10.512 3.044 1.00 47.46 77 A 1 ATOM 579 C CB . GLN A 1 77 ? 16.767 -8.535 5.169 1.00 48.24 77 A 1 ATOM 580 C CG . GLN A 1 77 ? 17.928 -7.955 5.986 1.00 42.99 77 A 1 ATOM 581 C CD . GLN A 1 77 ? 17.703 -8.060 7.492 1.00 38.56 77 A 1 ATOM 582 O OE1 . GLN A 1 77 ? 16.942 -8.874 7.977 1.00 38.15 77 A 1 ATOM 583 N NE2 . GLN A 1 77 ? 18.386 -7.274 8.291 1.00 36.71 77 A 1 ATOM 584 N N . GLY A 1 78 ? 19.276 -8.677 2.842 1.00 45.67 78 A 1 ATOM 585 C CA . GLY A 1 78 ? 20.466 -9.372 2.335 1.00 45.34 78 A 1 ATOM 586 C C . GLY A 1 78 ? 20.377 -9.854 0.878 1.00 47.60 78 A 1 ATOM 587 O O . GLY A 1 78 ? 21.236 -10.624 0.451 1.00 43.85 78 A 1 ATOM 588 N N . LYS A 1 79 ? 19.363 -9.426 0.101 1.00 47.26 79 A 1 ATOM 589 C CA . LYS A 1 79 ? 19.164 -9.788 -1.310 1.00 48.50 79 A 1 ATOM 590 C C . LYS A 1 79 ? 19.302 -8.559 -2.212 1.00 48.13 79 A 1 ATOM 591 O O . LYS A 1 79 ? 18.697 -7.541 -1.929 1.00 44.65 79 A 1 ATOM 592 C CB . LYS A 1 79 ? 17.780 -10.439 -1.498 1.00 45.08 79 A 1 ATOM 593 C CG . LYS A 1 79 ? 17.505 -11.668 -0.612 1.00 44.66 79 A 1 ATOM 594 C CD . LYS A 1 79 ? 18.378 -12.878 -0.949 1.00 42.90 79 A 1 ATOM 595 C CE . LYS A 1 79 ? 17.913 -14.062 -0.089 1.00 41.90 79 A 1 ATOM 596 N NZ . LYS A 1 79 ? 18.437 -15.359 -0.577 1.00 38.07 79 A 1 ATOM 597 N N . GLY A 1 80 ? 20.064 -8.688 -3.289 1.00 56.44 80 A 1 ATOM 598 C CA . GLY A 1 80 ? 20.163 -7.739 -4.408 1.00 57.70 80 A 1 ATOM 599 C C . GLY A 1 80 ? 20.430 -6.265 -4.051 1.00 62.26 80 A 1 ATOM 600 O O . GLY A 1 80 ? 20.454 -5.856 -2.893 1.00 57.54 80 A 1 ATOM 601 N N . GLU A 1 81 ? 20.613 -5.460 -5.092 1.00 58.03 81 A 1 ATOM 602 C CA . GLU A 1 81 ? 20.671 -3.997 -5.010 1.00 61.67 81 A 1 ATOM 603 C C . GLU A 1 81 ? 19.422 -3.393 -5.658 1.00 62.96 81 A 1 ATOM 604 O O . GLU A 1 81 ? 18.806 -4.004 -6.534 1.00 59.55 81 A 1 ATOM 605 C CB . GLU A 1 81 ? 21.954 -3.463 -5.662 1.00 57.62 81 A 1 ATOM 606 C CG . GLU A 1 81 ? 23.209 -3.878 -4.875 1.00 50.46 81 A 1 ATOM 607 C CD . GLU A 1 81 ? 24.516 -3.287 -5.427 1.00 46.19 81 A 1 ATOM 608 O OE1 . GLU A 1 81 ? 25.539 -3.431 -4.720 1.00 42.29 81 A 1 ATOM 609 O OE2 . GLU A 1 81 ? 24.500 -2.737 -6.549 1.00 44.15 81 A 1 ATOM 610 N N . ILE A 1 82 ? 19.030 -2.192 -5.210 1.00 62.36 82 A 1 ATOM 611 C CA . ILE A 1 82 ? 17.913 -1.460 -5.805 1.00 64.73 82 A 1 ATOM 612 C C . ILE A 1 82 ? 18.396 -0.785 -7.091 1.00 67.15 82 A 1 ATOM 613 O O . ILE A 1 82 ? 19.399 -0.074 -7.090 1.00 64.51 82 A 1 ATOM 614 C CB . ILE A 1 82 ? 17.310 -0.454 -4.802 1.00 62.08 82 A 1 ATOM 615 C CG1 . ILE A 1 82 ? 16.812 -1.128 -3.503 1.00 57.47 82 A 1 ATOM 616 C CG2 . ILE A 1 82 ? 16.182 0.368 -5.447 1.00 58.07 82 A 1 ATOM 617 C CD1 . ILE A 1 82 ? 15.742 -2.213 -3.684 1.00 55.11 82 A 1 ATOM 618 N N . SER A 1 83 ? 17.655 -0.989 -8.191 1.00 69.46 83 A 1 ATOM 619 C CA . SER A 1 83 ? 17.948 -0.319 -9.460 1.00 69.61 83 A 1 ATOM 620 C C . SER A 1 83 ? 17.551 1.161 -9.410 1.00 71.71 83 A 1 ATOM 621 O O . SER A 1 83 ? 16.484 1.519 -8.905 1.00 67.85 83 A 1 ATOM 622 C CB . SER A 1 83 ? 17.241 -1.023 -10.618 1.00 63.91 83 A 1 ATOM 623 O OG . SER A 1 83 ? 17.743 -2.337 -10.772 1.00 55.86 83 A 1 ATOM 624 N N . HIS A 1 84 ? 18.393 2.021 -9.978 1.00 72.64 84 A 1 ATOM 625 C CA . HIS A 1 84 ? 18.204 3.474 -10.039 1.00 74.39 84 A 1 ATOM 626 C C . HIS A 1 84 ? 18.146 3.985 -11.481 1.00 75.55 84 A 1 ATOM 627 O O . HIS A 1 84 ? 18.656 3.349 -12.401 1.00 71.05 84 A 1 ATOM 628 C CB . HIS A 1 84 ? 19.330 4.170 -9.264 1.00 71.21 84 A 1 ATOM 629 C CG . HIS A 1 84 ? 19.262 3.929 -7.781 1.00 70.51 84 A 1 ATOM 630 N ND1 . HIS A 1 84 ? 18.597 4.716 -6.863 1.00 62.33 84 A 1 ATOM 631 C CD2 . HIS A 1 84 ? 19.831 2.887 -7.109 1.00 63.85 84 A 1 ATOM 632 C CE1 . HIS A 1 84 ? 18.767 4.151 -5.664 1.00 64.82 84 A 1 ATOM 633 N NE2 . HIS A 1 84 ? 19.505 3.039 -5.772 1.00 66.61 84 A 1 ATOM 634 N N . GLY A 1 85 ? 17.536 5.157 -11.664 1.00 74.89 85 A 1 ATOM 635 C CA . GLY A 1 85 ? 17.525 5.884 -12.937 1.00 75.45 85 A 1 ATOM 636 C C . GLY A 1 85 ? 16.521 5.378 -13.975 1.00 78.49 85 A 1 ATOM 637 O O . GLY A 1 85 ? 16.528 5.885 -15.090 1.00 73.45 85 A 1 ATOM 638 N N . LYS A 1 86 ? 15.669 4.397 -13.625 1.00 71.46 86 A 1 ATOM 639 C CA . LYS A 1 86 ? 14.589 3.883 -14.482 1.00 73.50 86 A 1 ATOM 640 C C . LYS A 1 86 ? 13.256 3.907 -13.744 1.00 74.16 86 A 1 ATOM 641 O O . LYS A 1 86 ? 13.183 3.533 -12.574 1.00 71.01 86 A 1 ATOM 642 C CB . LYS A 1 86 ? 14.904 2.461 -14.974 1.00 71.37 86 A 1 ATOM 643 C CG . LYS A 1 86 ? 16.107 2.402 -15.922 1.00 68.85 86 A 1 ATOM 644 C CD . LYS A 1 86 ? 16.261 0.984 -16.494 1.00 68.21 86 A 1 ATOM 645 C CE . LYS A 1 86 ? 17.453 0.904 -17.451 1.00 63.85 86 A 1 ATOM 646 N NZ . LYS A 1 86 ? 17.556 -0.444 -18.060 1.00 57.54 86 A 1 ATOM 647 N N . SER A 1 87 ? 12.192 4.304 -14.443 1.00 72.09 87 A 1 ATOM 648 C CA . SER A 1 87 ? 10.801 4.149 -14.015 1.00 71.93 87 A 1 ATOM 649 C C . SER A 1 87 ? 10.353 2.684 -14.094 1.00 72.81 87 A 1 ATOM 650 O O . SER A 1 87 ? 10.973 1.860 -14.770 1.00 71.25 87 A 1 ATOM 651 C CB . SER A 1 87 ? 9.892 5.030 -14.877 1.00 70.16 87 A 1 ATOM 652 O OG . SER A 1 87 ? 9.951 4.617 -16.228 1.00 65.42 87 A 1 ATOM 653 N N . TYR A 1 88 ? 9.222 2.341 -13.459 1.00 72.63 88 A 1 ATOM 654 C CA . TYR A 1 88 ? 8.637 1.001 -13.590 1.00 73.10 88 A 1 ATOM 655 C C . TYR A 1 88 ? 8.333 0.624 -15.038 1.00 73.63 88 A 1 ATOM 656 O O . TYR A 1 88 ? 8.634 -0.492 -15.451 1.00 70.96 88 A 1 ATOM 657 C CB . TYR A 1 88 ? 7.362 0.890 -12.753 1.00 70.59 88 A 1 ATOM 658 C CG . TYR A 1 88 ? 7.637 0.497 -11.324 1.00 68.44 88 A 1 ATOM 659 C CD1 . TYR A 1 88 ? 8.177 -0.776 -11.060 1.00 66.10 88 A 1 ATOM 660 C CD2 . TYR A 1 88 ? 7.352 1.387 -10.275 1.00 65.37 88 A 1 ATOM 661 C CE1 . TYR A 1 88 ? 8.437 -1.163 -9.737 1.00 62.13 88 A 1 ATOM 662 C CE2 . TYR A 1 88 ? 7.608 1.001 -8.954 1.00 62.38 88 A 1 ATOM 663 C CZ . TYR A 1 88 ? 8.146 -0.277 -8.682 1.00 61.65 88 A 1 ATOM 664 O OH . TYR A 1 88 ? 8.377 -0.658 -7.415 1.00 57.46 88 A 1 ATOM 665 N N . ALA A 1 89 ? 7.790 1.553 -15.827 1.00 71.24 89 A 1 ATOM 666 C CA . ALA A 1 89 ? 7.487 1.318 -17.236 1.00 71.17 89 A 1 ATOM 667 C C . ALA A 1 89 ? 8.739 0.931 -18.049 1.00 72.38 89 A 1 ATOM 668 O O . ALA A 1 89 ? 8.683 0.024 -18.877 1.00 70.05 89 A 1 ATOM 669 C CB . ALA A 1 89 ? 6.816 2.577 -17.795 1.00 68.56 89 A 1 ATOM 670 N N . GLU A 1 90 ? 9.880 1.567 -17.783 1.00 67.71 90 A 1 ATOM 671 C CA . GLU A 1 90 ? 11.150 1.248 -18.457 1.00 69.17 90 A 1 ATOM 672 C C . GLU A 1 90 ? 11.722 -0.108 -18.017 1.00 69.87 90 A 1 ATOM 673 O O . GLU A 1 90 ? 12.242 -0.849 -18.848 1.00 68.82 90 A 1 ATOM 674 C CB . GLU A 1 90 ? 12.166 2.357 -18.176 1.00 67.52 90 A 1 ATOM 675 C CG . GLU A 1 90 ? 11.811 3.667 -18.896 1.00 62.85 90 A 1 ATOM 676 C CD . GLU A 1 90 ? 12.602 4.851 -18.322 1.00 60.81 90 A 1 ATOM 677 O OE1 . GLU A 1 90 ? 13.241 5.578 -19.108 1.00 56.86 90 A 1 ATOM 678 O OE2 . GLU A 1 90 ? 12.524 5.029 -17.081 1.00 60.67 90 A 1 ATOM 679 N N . ILE A 1 91 ? 11.598 -0.467 -16.729 1.00 68.04 91 A 1 ATOM 680 C CA . ILE A 1 91 ? 12.035 -1.779 -16.221 1.00 68.73 91 A 1 ATOM 681 C C . ILE A 1 91 ? 11.207 -2.908 -16.853 1.00 69.10 91 A 1 ATOM 682 O O . ILE A 1 91 ? 11.760 -3.925 -17.266 1.00 67.77 91 A 1 ATOM 683 C CB . ILE A 1 91 ? 11.966 -1.803 -14.674 1.00 67.30 91 A 1 ATOM 684 C CG1 . ILE A 1 91 ? 12.992 -0.811 -14.075 1.00 63.49 91 A 1 ATOM 685 C CG2 . ILE A 1 91 ? 12.220 -3.218 -14.126 1.00 64.97 91 A 1 ATOM 686 C CD1 . ILE A 1 91 ? 12.794 -0.531 -12.580 1.00 62.08 91 A 1 ATOM 687 N N . LEU A 1 92 ? 9.887 -2.723 -16.972 1.00 66.33 92 A 1 ATOM 688 C CA . LEU A 1 92 ? 8.960 -3.700 -17.555 1.00 65.81 92 A 1 ATOM 689 C C . LEU A 1 92 ? 9.091 -3.844 -19.074 1.00 65.80 92 A 1 ATOM 690 O O . LEU A 1 92 ? 8.714 -4.874 -19.618 1.00 64.81 92 A 1 ATOM 691 C CB . LEU A 1 92 ? 7.526 -3.293 -17.201 1.00 64.38 92 A 1 ATOM 692 C CG . LEU A 1 92 ? 7.191 -3.478 -15.715 1.00 60.99 92 A 1 ATOM 693 C CD1 . LEU A 1 92 ? 5.845 -2.805 -15.444 1.00 59.66 92 A 1 ATOM 694 C CD2 . LEU A 1 92 ? 7.151 -4.956 -15.330 1.00 60.19 92 A 1 ATOM 695 N N . ALA A 1 93 ? 9.639 -2.856 -19.763 1.00 66.27 93 A 1 ATOM 696 C CA . ALA A 1 93 ? 9.983 -3.006 -21.177 1.00 66.76 93 A 1 ATOM 697 C C . ALA A 1 93 ? 11.143 -4.001 -21.404 1.00 68.09 93 A 1 ATOM 698 O O . ALA A 1 93 ? 11.309 -4.513 -22.509 1.00 65.47 93 A 1 ATOM 699 C CB . ALA A 1 93 ? 10.290 -1.618 -21.746 1.00 64.18 93 A 1 ATOM 700 N N . GLU A 1 94 ? 11.939 -4.278 -20.359 1.00 67.52 94 A 1 ATOM 701 C CA . GLU A 1 94 ? 13.124 -5.143 -20.425 1.00 67.56 94 A 1 ATOM 702 C C . GLU A 1 94 ? 12.927 -6.515 -19.755 1.00 66.99 94 A 1 ATOM 703 O O . GLU A 1 94 ? 13.649 -7.465 -20.073 1.00 63.65 94 A 1 ATOM 704 C CB . GLU A 1 94 ? 14.312 -4.415 -19.771 1.00 65.48 94 A 1 ATOM 705 C CG . GLU A 1 94 ? 14.725 -3.126 -20.509 1.00 60.48 94 A 1 ATOM 706 C CD . GLU A 1 94 ? 15.883 -2.373 -19.814 1.00 58.25 94 A 1 ATOM 707 O OE1 . GLU A 1 94 ? 16.254 -1.269 -20.265 1.00 54.87 94 A 1 ATOM 708 O OE2 . GLU A 1 94 ? 16.446 -2.834 -18.784 1.00 60.05 94 A 1 ATOM 709 N N . LYS A 1 95 ? 11.971 -6.645 -18.798 1.00 70.19 95 A 1 ATOM 710 C CA . LYS A 1 95 ? 11.743 -7.849 -17.980 1.00 69.81 95 A 1 ATOM 711 C C . LYS A 1 95 ? 10.248 -8.112 -17.773 1.00 69.26 95 A 1 ATOM 712 O O . LYS A 1 95 ? 9.481 -7.185 -17.557 1.00 65.41 95 A 1 ATOM 713 C CB . LYS A 1 95 ? 12.424 -7.693 -16.608 1.00 66.68 95 A 1 ATOM 714 C CG . LYS A 1 95 ? 13.954 -7.557 -16.654 1.00 62.16 95 A 1 ATOM 715 C CD . LYS A 1 95 ? 14.504 -7.511 -15.218 1.00 60.88 95 A 1 ATOM 716 C CE . LYS A 1 95 ? 16.027 -7.377 -15.178 1.00 56.74 95 A 1 ATOM 717 N NZ . LYS A 1 95 ? 16.514 -7.357 -13.771 1.00 51.57 95 A 1 ATOM 718 N N . GLU A 1 96 ? 9.842 -9.400 -17.726 1.00 63.45 96 A 1 ATOM 719 C CA . GLU A 1 96 ? 8.447 -9.796 -17.448 1.00 63.39 96 A 1 ATOM 720 C C . GLU A 1 96 ? 8.022 -9.534 -15.992 1.00 63.53 96 A 1 ATOM 721 O O . GLU A 1 96 ? 6.857 -9.269 -15.729 1.00 59.24 96 A 1 ATOM 722 C CB . GLU A 1 96 ? 8.241 -11.287 -17.771 1.00 59.66 96 A 1 ATOM 723 C CG . GLU A 1 96 ? 8.339 -11.609 -19.270 1.00 53.34 96 A 1 ATOM 724 C CD . GLU A 1 96 ? 8.033 -13.086 -19.599 1.00 48.41 96 A 1 ATOM 725 O OE1 . GLU A 1 96 ? 7.833 -13.380 -20.801 1.00 44.46 96 A 1 ATOM 726 O OE2 . GLU A 1 96 ? 8.055 -13.930 -18.672 1.00 47.16 96 A 1 ATOM 727 N N . VAL A 1 97 ? 8.954 -9.610 -15.034 1.00 63.29 97 A 1 ATOM 728 C CA . VAL A 1 97 ? 8.714 -9.391 -13.602 1.00 64.10 97 A 1 ATOM 729 C C . VAL A 1 97 ? 9.812 -8.488 -13.041 1.00 65.54 97 A 1 ATOM 730 O O . VAL A 1 97 ? 10.993 -8.666 -13.348 1.00 62.17 97 A 1 ATOM 731 C CB . VAL A 1 97 ? 8.639 -10.728 -12.833 1.00 60.22 97 A 1 ATOM 732 C CG1 . VAL A 1 97 ? 8.334 -10.518 -11.344 1.00 53.50 97 A 1 ATOM 733 C CG2 . VAL A 1 97 ? 7.547 -11.655 -13.388 1.00 54.88 97 A 1 ATOM 734 N N . VAL A 1 98 ? 9.431 -7.523 -12.196 1.00 63.85 98 A 1 ATOM 735 C CA . VAL A 1 98 ? 10.374 -6.606 -11.543 1.00 64.16 98 A 1 ATOM 736 C C . VAL A 1 98 ? 11.197 -7.316 -10.459 1.00 65.92 98 A 1 ATOM 737 O O . VAL A 1 98 ? 10.690 -8.161 -9.723 1.00 62.85 98 A 1 ATOM 738 C CB . VAL A 1 98 ? 9.661 -5.363 -10.983 1.00 60.51 98 A 1 ATOM 739 C CG1 . VAL A 1 98 ? 9.043 -4.532 -12.114 1.00 54.59 98 A 1 ATOM 740 C CG2 . VAL A 1 98 ? 8.565 -5.700 -9.971 1.00 55.57 98 A 1 ATOM 741 N N . ASP A 1 99 ? 12.462 -6.926 -10.290 1.00 64.90 99 A 1 ATOM 742 C CA . ASP A 1 99 ? 13.366 -7.519 -9.283 1.00 64.92 99 A 1 ATOM 743 C C . ASP A 1 99 ? 12.878 -7.300 -7.836 1.00 66.74 99 A 1 ATOM 744 O O . ASP A 1 99 ? 13.305 -7.993 -6.908 1.00 62.70 99 A 1 ATOM 745 C CB . ASP A 1 99 ? 14.783 -6.937 -9.446 1.00 60.50 99 A 1 ATOM 746 C CG . ASP A 1 99 ? 15.437 -7.211 -10.808 1.00 54.47 99 A 1 ATOM 747 O OD1 . ASP A 1 99 ? 15.230 -8.280 -11.421 1.00 50.06 99 A 1 ATOM 748 O OD2 . ASP A 1 99 ? 16.178 -6.336 -11.307 1.00 48.85 99 A 1 ATOM 749 N N . THR A 1 100 ? 11.959 -6.349 -7.635 1.00 67.90 100 A 1 ATOM 750 C CA . THR A 1 100 ? 11.312 -6.028 -6.357 1.00 67.84 100 A 1 ATOM 751 C C . THR A 1 100 ? 10.110 -6.924 -6.040 1.00 69.02 100 A 1 ATOM 752 O O . THR A 1 100 ? 9.587 -6.860 -4.930 1.00 66.99 100 A 1 ATOM 753 C CB . THR A 1 100 ? 10.890 -4.551 -6.327 1.00 65.25 100 A 1 ATOM 754 O OG1 . THR A 1 100 ? 10.108 -4.224 -7.455 1.00 59.71 100 A 1 ATOM 755 C CG2 . THR A 1 100 ? 12.099 -3.614 -6.343 1.00 55.51 100 A 1 ATOM 756 N N . TYR A 1 101 ? 9.652 -7.784 -6.971 1.00 71.82 101 A 1 ATOM 757 C CA . TYR A 1 101 ? 8.535 -8.688 -6.709 1.00 73.04 101 A 1 ATOM 758 C C . TYR A 1 101 ? 8.899 -9.733 -5.647 1.00 73.78 101 A 1 ATOM 759 O O . TYR A 1 101 ? 9.839 -10.515 -5.798 1.00 72.46 101 A 1 ATOM 760 C CB . TYR A 1 101 ? 8.059 -9.348 -8.009 1.00 72.58 101 A 1 ATOM 761 C CG . TYR A 1 101 ? 6.914 -10.332 -7.801 1.00 71.61 101 A 1 ATOM 762 C CD1 . TYR A 1 101 ? 7.071 -11.689 -8.149 1.00 69.04 101 A 1 ATOM 763 C CD2 . TYR A 1 101 ? 5.700 -9.894 -7.241 1.00 66.53 101 A 1 ATOM 764 C CE1 . TYR A 1 101 ? 6.013 -12.600 -7.952 1.00 63.91 101 A 1 ATOM 765 C CE2 . TYR A 1 101 ? 4.644 -10.804 -7.034 1.00 64.75 101 A 1 ATOM 766 C CZ . TYR A 1 101 ? 4.797 -12.158 -7.394 1.00 66.89 101 A 1 ATOM 767 O OH . TYR A 1 101 ? 3.773 -13.038 -7.205 1.00 64.76 101 A 1 ATOM 768 N N . VAL A 1 102 ? 8.117 -9.757 -4.554 1.00 77.68 102 A 1 ATOM 769 C CA . VAL A 1 102 ? 8.185 -10.805 -3.524 1.00 78.59 102 A 1 ATOM 770 C C . VAL A 1 102 ? 7.056 -11.803 -3.801 1.00 80.44 102 A 1 ATOM 771 O O . VAL A 1 102 ? 5.888 -11.416 -3.711 1.00 80.22 102 A 1 ATOM 772 C CB . VAL A 1 102 ? 8.089 -10.216 -2.108 1.00 77.26 102 A 1 ATOM 773 C CG1 . VAL A 1 102 ? 8.200 -11.323 -1.051 1.00 73.67 102 A 1 ATOM 774 C CG2 . VAL A 1 102 ? 9.205 -9.200 -1.838 1.00 73.83 102 A 1 ATOM 775 N N . PRO A 1 103 ? 7.350 -13.075 -4.141 1.00 85.33 103 A 1 ATOM 776 C CA . PRO A 1 103 ? 6.354 -14.026 -4.634 1.00 85.93 103 A 1 ATOM 777 C C . PRO A 1 103 ? 5.135 -14.175 -3.719 1.00 87.68 103 A 1 ATOM 778 O O . PRO A 1 103 ? 5.271 -14.537 -2.548 1.00 87.49 103 A 1 ATOM 779 C CB . PRO A 1 103 ? 7.091 -15.357 -4.799 1.00 83.69 103 A 1 ATOM 780 C CG . PRO A 1 103 ? 8.527 -14.922 -5.085 1.00 81.74 103 A 1 ATOM 781 C CD . PRO A 1 103 ? 8.684 -13.666 -4.235 1.00 83.58 103 A 1 ATOM 782 N N . PHE A 1 104 ? 3.939 -13.919 -4.272 1.00 88.26 104 A 1 ATOM 783 C CA . PHE A 1 104 ? 2.643 -14.097 -3.607 1.00 89.72 104 A 1 ATOM 784 C C . PHE A 1 104 ? 2.504 -13.377 -2.246 1.00 90.07 104 A 1 ATOM 785 O O . PHE A 1 104 ? 1.710 -13.760 -1.388 1.00 89.03 104 A 1 ATOM 786 C CB . PHE A 1 104 ? 2.313 -15.602 -3.549 1.00 90.13 104 A 1 ATOM 787 C CG . PHE A 1 104 ? 0.840 -15.923 -3.451 1.00 90.25 104 A 1 ATOM 788 C CD1 . PHE A 1 104 ? 0.298 -16.440 -2.258 1.00 89.55 104 A 1 ATOM 789 C CD2 . PHE A 1 104 ? 0.001 -15.707 -4.558 1.00 90.04 104 A 1 ATOM 790 C CE1 . PHE A 1 104 ? -1.072 -16.745 -2.181 1.00 89.14 104 A 1 ATOM 791 C CE2 . PHE A 1 104 ? -1.370 -16.008 -4.478 1.00 89.47 104 A 1 ATOM 792 C CZ . PHE A 1 104 ? -1.908 -16.526 -3.288 1.00 89.96 104 A 1 ATOM 793 N N . ARG A 1 105 ? 3.283 -12.313 -2.019 1.00 91.40 105 A 1 ATOM 794 C CA . ARG A 1 105 ? 3.312 -11.566 -0.751 1.00 91.66 105 A 1 ATOM 795 C C . ARG A 1 105 ? 1.927 -11.047 -0.362 1.00 93.21 105 A 1 ATOM 796 O O . ARG A 1 105 ? 1.500 -11.248 0.774 1.00 93.51 105 A 1 ATOM 797 C CB . ARG A 1 105 ? 4.327 -10.417 -0.877 1.00 89.75 105 A 1 ATOM 798 C CG . ARG A 1 105 ? 4.516 -9.647 0.440 1.00 84.41 105 A 1 ATOM 799 C CD . ARG A 1 105 ? 5.313 -8.357 0.228 1.00 83.21 105 A 1 ATOM 800 N NE . ARG A 1 105 ? 4.539 -7.376 -0.548 1.00 77.92 105 A 1 ATOM 801 C CZ . ARG A 1 105 ? 4.982 -6.236 -1.051 1.00 76.10 105 A 1 ATOM 802 N NH1 . ARG A 1 105 ? 6.210 -5.831 -0.874 1.00 69.86 105 A 1 ATOM 803 N NH2 . ARG A 1 105 ? 4.181 -5.481 -1.755 1.00 67.95 105 A 1 ATOM 804 N N . ASN A 1 106 ? 1.206 -10.429 -1.306 1.00 93.14 106 A 1 ATOM 805 C CA . ASN A 1 106 ? -0.126 -9.885 -1.047 1.00 93.68 106 A 1 ATOM 806 C C . ASN A 1 106 ? -1.131 -10.996 -0.721 1.00 95.07 106 A 1 ATOM 807 O O . ASN A 1 106 ? -1.959 -10.822 0.166 1.00 95.35 106 A 1 ATOM 808 C CB . ASN A 1 106 ? -0.574 -9.019 -2.234 1.00 92.60 106 A 1 ATOM 809 C CG . ASN A 1 106 ? 0.255 -7.756 -2.407 1.00 90.69 106 A 1 ATOM 810 O OD1 . ASN A 1 106 ? 0.957 -7.312 -1.507 1.00 85.71 106 A 1 ATOM 811 N ND2 . ASN A 1 106 ? 0.206 -7.154 -3.566 1.00 84.46 106 A 1 ATOM 812 N N . GLY A 1 107 ? -1.018 -12.178 -1.328 1.00 94.65 107 A 1 ATOM 813 C CA . GLY A 1 107 ? -1.845 -13.341 -0.984 1.00 94.96 107 A 1 ATOM 814 C C . GLY A 1 107 ? -1.683 -13.791 0.471 1.00 95.79 107 A 1 ATOM 815 O O . GLY A 1 107 ? -2.675 -14.040 1.162 1.00 95.48 107 A 1 ATOM 816 N N . LEU A 1 108 ? -0.448 -13.830 0.978 1.00 94.86 108 A 1 ATOM 817 C CA . LEU A 1 108 ? -0.163 -14.147 2.382 1.00 94.87 108 A 1 ATOM 818 C C . LEU A 1 108 ? -0.690 -13.060 3.325 1.00 95.67 108 A 1 ATOM 819 O O . LEU A 1 108 ? -1.363 -13.374 4.311 1.00 95.40 108 A 1 ATOM 820 C CB . LEU A 1 108 ? 1.348 -14.349 2.572 1.00 93.87 108 A 1 ATOM 821 C CG . LEU A 1 108 ? 1.916 -15.580 1.837 1.00 91.29 108 A 1 ATOM 822 C CD1 . LEU A 1 108 ? 3.432 -15.577 1.961 1.00 88.68 108 A 1 ATOM 823 C CD2 . LEU A 1 108 ? 1.398 -16.897 2.422 1.00 88.12 108 A 1 ATOM 824 N N . MET A 1 109 ? -0.443 -11.780 3.001 1.00 96.19 109 A 1 ATOM 825 C CA . MET A 1 109 ? -0.935 -10.642 3.781 1.00 96.54 109 A 1 ATOM 826 C C . MET A 1 109 ? -2.465 -10.630 3.859 1.00 97.30 109 A 1 ATOM 827 O O . MET A 1 109 ? -3.028 -10.523 4.948 1.00 97.37 109 A 1 ATOM 828 C CB . MET A 1 109 ? -0.432 -9.327 3.169 1.00 95.75 109 A 1 ATOM 829 C CG . MET A 1 109 ? 1.080 -9.129 3.334 1.00 94.10 109 A 1 ATOM 830 S SD . MET A 1 109 ? 1.667 -7.579 2.597 1.00 91.93 109 A 1 ATOM 831 C CE . MET A 1 109 ? 3.392 -7.610 3.139 1.00 84.97 109 A 1 ATOM 832 N N . LEU A 1 110 ? -3.161 -10.804 2.730 1.00 97.53 110 A 1 ATOM 833 C CA . LEU A 1 110 ? -4.623 -10.827 2.661 1.00 97.76 110 A 1 ATOM 834 C C . LEU A 1 110 ? -5.223 -12.022 3.410 1.00 98.02 110 A 1 ATOM 835 O O . LEU A 1 110 ? -6.247 -11.870 4.077 1.00 97.91 110 A 1 ATOM 836 C CB . LEU A 1 110 ? -5.061 -10.826 1.186 1.00 97.54 110 A 1 ATOM 837 C CG . LEU A 1 110 ? -4.825 -9.487 0.458 1.00 96.85 110 A 1 ATOM 838 C CD1 . LEU A 1 110 ? -5.132 -9.662 -1.030 1.00 95.98 110 A 1 ATOM 839 C CD2 . LEU A 1 110 ? -5.707 -8.367 1.008 1.00 95.67 110 A 1 ATOM 840 N N . SER A 1 111 ? -4.569 -13.188 3.379 1.00 98.05 111 A 1 ATOM 841 C CA . SER A 1 111 ? -5.007 -14.366 4.140 1.00 97.95 111 A 1 ATOM 842 C C . SER A 1 111 ? -4.964 -14.114 5.654 1.00 98.21 111 A 1 ATOM 843 O O . SER A 1 111 ? -5.930 -14.393 6.366 1.00 97.85 111 A 1 ATOM 844 C CB . SER A 1 111 ? -4.147 -15.587 3.792 1.00 97.14 111 A 1 ATOM 845 O OG . SER A 1 111 ? -4.259 -15.900 2.417 1.00 87.32 111 A 1 ATOM 846 N N . GLN A 1 112 ? -3.875 -13.526 6.158 1.00 98.06 112 A 1 ATOM 847 C CA . GLN A 1 112 ? -3.769 -13.151 7.574 1.00 98.07 112 A 1 ATOM 848 C C . GLN A 1 112 ? -4.729 -12.005 7.940 1.00 98.36 112 A 1 ATOM 849 O O . GLN A 1 112 ? -5.357 -12.033 9.000 1.00 98.19 112 A 1 ATOM 850 C CB . GLN A 1 112 ? -2.327 -12.764 7.922 1.00 97.48 112 A 1 ATOM 851 C CG . GLN A 1 112 ? -1.331 -13.934 7.838 1.00 95.61 112 A 1 ATOM 852 C CD . GLN A 1 112 ? 0.016 -13.586 8.466 1.00 94.08 112 A 1 ATOM 853 O OE1 . GLN A 1 112 ? 0.117 -12.743 9.338 1.00 88.39 112 A 1 ATOM 854 N NE2 . GLN A 1 112 ? 1.096 -14.224 8.086 1.00 86.38 112 A 1 ATOM 855 N N . ALA A 1 113 ? -4.891 -11.019 7.051 1.00 98.32 113 A 1 ATOM 856 C CA . ALA A 1 113 ? -5.808 -9.901 7.238 1.00 98.49 113 A 1 ATOM 857 C C . ALA A 1 113 ? -7.268 -10.359 7.345 1.00 98.61 113 A 1 ATOM 858 O O . ALA A 1 113 ? -8.003 -9.838 8.184 1.00 98.49 113 A 1 ATOM 859 C CB . ALA A 1 113 ? -5.619 -8.913 6.085 1.00 98.37 113 A 1 ATOM 860 N N . ALA A 1 114 ? -7.688 -11.363 6.567 1.00 98.55 114 A 1 ATOM 861 C CA . ALA A 1 114 ? -9.022 -11.955 6.657 1.00 98.49 114 A 1 ATOM 862 C C . ALA A 1 114 ? -9.275 -12.581 8.037 1.00 98.50 114 A 1 ATOM 863 O O . ALA A 1 114 ? -10.301 -12.310 8.669 1.00 98.12 114 A 1 ATOM 864 C CB . ALA A 1 114 ? -9.177 -12.998 5.541 1.00 98.24 114 A 1 ATOM 865 N N . ALA A 1 115 ? -8.310 -13.359 8.542 1.00 98.57 115 A 1 ATOM 866 C CA . ALA A 1 115 ? -8.392 -13.966 9.871 1.00 98.42 115 A 1 ATOM 867 C C . ALA A 1 115 ? -8.412 -12.907 10.990 1.00 98.47 115 A 1 ATOM 868 O O . ALA A 1 115 ? -9.206 -12.999 11.932 1.00 98.14 115 A 1 ATOM 869 C CB . ALA A 1 115 ? -7.211 -14.936 10.027 1.00 98.05 115 A 1 ATOM 870 N N . TYR A 1 116 ? -7.579 -11.864 10.868 1.00 98.42 116 A 1 ATOM 871 C CA . TYR A 1 116 ? -7.555 -10.738 11.799 1.00 98.49 116 A 1 ATOM 872 C C . TYR A 1 116 ? -8.887 -9.976 11.792 1.00 98.54 116 A 1 ATOM 873 O O . TYR A 1 116 ? -9.481 -9.776 12.853 1.00 98.29 116 A 1 ATOM 874 C CB . TYR A 1 116 ? -6.376 -9.816 11.466 1.00 98.44 116 A 1 ATOM 875 C CG . TYR A 1 116 ? -6.252 -8.646 12.428 1.00 98.48 116 A 1 ATOM 876 C CD1 . TYR A 1 116 ? -6.930 -7.438 12.172 1.00 97.89 116 A 1 ATOM 877 C CD2 . TYR A 1 116 ? -5.476 -8.777 13.596 1.00 97.96 116 A 1 ATOM 878 C CE1 . TYR A 1 116 ? -6.832 -6.365 13.078 1.00 97.55 116 A 1 ATOM 879 C CE2 . TYR A 1 116 ? -5.372 -7.704 14.505 1.00 97.54 116 A 1 ATOM 880 C CZ . TYR A 1 116 ? -6.051 -6.496 14.244 1.00 97.75 116 A 1 ATOM 881 O OH . TYR A 1 116 ? -5.950 -5.458 15.117 1.00 97.07 116 A 1 ATOM 882 N N . ALA A 1 117 ? -9.392 -9.610 10.612 1.00 98.44 117 A 1 ATOM 883 C CA . ALA A 1 117 ? -10.652 -8.888 10.449 1.00 98.47 117 A 1 ATOM 884 C C . ALA A 1 117 ? -11.823 -9.656 11.075 1.00 98.42 117 A 1 ATOM 885 O O . ALA A 1 117 ? -12.575 -9.091 11.872 1.00 98.17 117 A 1 ATOM 886 C CB . ALA A 1 117 ? -10.881 -8.623 8.958 1.00 98.45 117 A 1 ATOM 887 N N . TYR A 1 118 ? -11.920 -10.956 10.799 1.00 98.42 118 A 1 ATOM 888 C CA . TYR A 1 118 ? -12.917 -11.833 11.416 1.00 98.28 118 A 1 ATOM 889 C C . TYR A 1 118 ? -12.826 -11.797 12.946 1.00 98.13 118 A 1 ATOM 890 O O . TYR A 1 118 ? -13.828 -11.601 13.635 1.00 97.33 118 A 1 ATOM 891 C CB . TYR A 1 118 ? -12.726 -13.260 10.886 1.00 98.07 118 A 1 ATOM 892 C CG . TYR A 1 118 ? -13.852 -14.202 11.277 1.00 97.94 118 A 1 ATOM 893 C CD1 . TYR A 1 118 ? -13.889 -14.792 12.557 1.00 96.32 118 A 1 ATOM 894 C CD2 . TYR A 1 118 ? -14.883 -14.471 10.354 1.00 96.12 118 A 1 ATOM 895 C CE1 . TYR A 1 118 ? -14.954 -15.640 12.918 1.00 95.08 118 A 1 ATOM 896 C CE2 . TYR A 1 118 ? -15.949 -15.323 10.709 1.00 94.98 118 A 1 ATOM 897 C CZ . TYR A 1 118 ? -15.984 -15.904 11.994 1.00 95.54 118 A 1 ATOM 898 O OH . TYR A 1 118 ? -17.017 -16.722 12.336 1.00 94.46 118 A 1 ATOM 899 N N . SER A 1 119 ? -11.610 -11.914 13.490 1.00 98.21 119 A 1 ATOM 900 C CA . SER A 1 119 ? -11.359 -11.965 14.936 1.00 97.93 119 A 1 ATOM 901 C C . SER A 1 119 ? -11.725 -10.666 15.665 1.00 97.91 119 A 1 ATOM 902 O O . SER A 1 119 ? -12.173 -10.698 16.809 1.00 96.95 119 A 1 ATOM 903 C CB . SER A 1 119 ? -9.884 -12.291 15.198 1.00 97.30 119 A 1 ATOM 904 O OG . SER A 1 119 ? -9.537 -13.530 14.610 1.00 88.65 119 A 1 ATOM 905 N N . VAL A 1 120 ? -11.575 -9.504 15.015 1.00 97.87 120 A 1 ATOM 906 C CA . VAL A 1 120 ? -11.930 -8.191 15.593 1.00 97.65 120 A 1 ATOM 907 C C . VAL A 1 120 ? -13.349 -7.726 15.234 1.00 97.73 120 A 1 ATOM 908 O O . VAL A 1 120 ? -13.765 -6.626 15.624 1.00 97.05 120 A 1 ATOM 909 C CB . VAL A 1 120 ? -10.859 -7.126 15.289 1.00 97.42 120 A 1 ATOM 910 C CG1 . VAL A 1 120 ? -9.471 -7.574 15.757 1.00 96.42 120 A 1 ATOM 911 C CG2 . VAL A 1 120 ? -10.806 -6.719 13.814 1.00 96.01 120 A 1 ATOM 912 N N . GLY A 1 121 ? -14.111 -8.554 14.517 1.00 97.95 121 A 1 ATOM 913 C CA . GLY A 1 121 ? -15.463 -8.249 14.058 1.00 97.82 121 A 1 ATOM 914 C C . GLY A 1 121 ? -15.516 -7.127 13.014 1.00 98.03 121 A 1 ATOM 915 O O . GLY A 1 121 ? -16.439 -6.305 13.039 1.00 97.15 121 A 1 ATOM 916 N N . ALA A 1 122 ? -14.502 -7.038 12.151 1.00 98.04 122 A 1 ATOM 917 C CA . ALA A 1 122 ? -14.497 -6.160 10.988 1.00 98.24 122 A 1 ATOM 918 C C . ALA A 1 122 ? -15.119 -6.873 9.779 1.00 98.34 122 A 1 ATOM 919 O O . ALA A 1 122 ? -14.889 -8.060 9.567 1.00 98.04 122 A 1 ATOM 920 C CB . ALA A 1 122 ? -13.072 -5.678 10.705 1.00 98.14 122 A 1 ATOM 921 N N . SER A 1 123 ? -15.894 -6.125 8.989 1.00 98.42 123 A 1 ATOM 922 C CA . SER A 1 123 ? -16.562 -6.643 7.787 1.00 98.34 123 A 1 ATOM 923 C C . SER A 1 123 ? -15.742 -6.442 6.515 1.00 98.48 123 A 1 ATOM 924 O O . SER A 1 123 ? -16.045 -7.062 5.501 1.00 97.84 123 A 1 ATOM 925 C CB . SER A 1 123 ? -17.925 -5.969 7.612 1.00 97.56 123 A 1 ATOM 926 O OG . SER A 1 123 ? -18.742 -6.184 8.753 1.00 91.26 123 A 1 ATOM 927 N N . TYR A 1 124 ? -14.726 -5.582 6.560 1.00 98.54 124 A 1 ATOM 928 C CA . TYR A 1 124 ? -13.931 -5.221 5.392 1.00 98.59 124 A 1 ATOM 929 C C . TYR A 1 124 ? -12.438 -5.381 5.659 1.00 98.71 124 A 1 ATOM 930 O O . TYR A 1 124 ? -11.953 -5.031 6.736 1.00 98.55 124 A 1 ATOM 931 C CB . TYR A 1 124 ? -14.268 -3.789 4.949 1.00 98.37 124 A 1 ATOM 932 C CG . TYR A 1 124 ? -15.741 -3.575 4.654 1.00 98.02 124 A 1 ATOM 933 C CD1 . TYR A 1 124 ? -16.329 -4.197 3.538 1.00 96.33 124 A 1 ATOM 934 C CD2 . TYR A 1 124 ? -16.534 -2.788 5.516 1.00 96.35 124 A 1 ATOM 935 C CE1 . TYR A 1 124 ? -17.707 -4.041 3.280 1.00 94.96 124 A 1 ATOM 936 C CE2 . TYR A 1 124 ? -17.910 -2.625 5.259 1.00 95.32 124 A 1 ATOM 937 C CZ . TYR A 1 124 ? -18.496 -3.256 4.142 1.00 95.42 124 A 1 ATOM 938 O OH . TYR A 1 124 ? -19.826 -3.114 3.897 1.00 92.91 124 A 1 ATOM 939 N N . VAL A 1 125 ? -11.714 -5.867 4.654 1.00 98.35 125 A 1 ATOM 940 C CA . VAL A 1 125 ? -10.258 -5.769 4.535 1.00 98.46 125 A 1 ATOM 941 C C . VAL A 1 125 ? -9.960 -4.891 3.333 1.00 98.41 125 A 1 ATOM 942 O O . VAL A 1 125 ? -10.487 -5.146 2.255 1.00 98.12 125 A 1 ATOM 943 C CB . VAL A 1 125 ? -9.600 -7.147 4.394 1.00 98.40 125 A 1 ATOM 944 C CG1 . VAL A 1 125 ? -8.111 -7.046 4.038 1.00 98.04 125 A 1 ATOM 945 C CG2 . VAL A 1 125 ? -9.708 -7.922 5.713 1.00 97.99 125 A 1 ATOM 946 N N . VAL A 1 126 ? -9.135 -3.863 3.517 1.00 98.08 126 A 1 ATOM 947 C CA . VAL A 1 126 ? -8.829 -2.861 2.492 1.00 97.98 126 A 1 ATOM 948 C C . VAL A 1 126 ? -7.347 -2.914 2.161 1.00 97.71 126 A 1 ATOM 949 O O . VAL A 1 126 ? -6.511 -2.878 3.069 1.00 96.92 126 A 1 ATOM 950 C CB . VAL A 1 126 ? -9.251 -1.452 2.945 1.00 97.74 126 A 1 ATOM 951 C CG1 . VAL A 1 126 ? -9.114 -0.438 1.809 1.00 96.74 126 A 1 ATOM 952 C CG2 . VAL A 1 126 ? -10.707 -1.446 3.428 1.00 96.78 126 A 1 ATOM 953 N N . TYR A 1 127 ? -7.018 -2.996 0.871 1.00 94.09 127 A 1 ATOM 954 C CA . TYR A 1 127 ? -5.634 -2.942 0.404 1.00 92.31 127 A 1 ATOM 955 C C . TYR A 1 127 ? -5.483 -1.995 -0.794 1.00 92.51 127 A 1 ATOM 956 O O . TYR A 1 127 ? -6.432 -1.747 -1.538 1.00 90.14 127 A 1 ATOM 957 C CB . TYR A 1 127 ? -5.088 -4.354 0.129 1.00 87.08 127 A 1 ATOM 958 C CG . TYR A 1 127 ? -5.317 -4.903 -1.265 1.00 86.95 127 A 1 ATOM 959 C CD1 . TYR A 1 127 ? -6.621 -5.057 -1.768 1.00 82.51 127 A 1 ATOM 960 C CD2 . TYR A 1 127 ? -4.216 -5.271 -2.060 1.00 82.23 127 A 1 ATOM 961 C CE1 . TYR A 1 127 ? -6.821 -5.564 -3.063 1.00 77.53 127 A 1 ATOM 962 C CE2 . TYR A 1 127 ? -4.415 -5.781 -3.353 1.00 79.67 127 A 1 ATOM 963 C CZ . TYR A 1 127 ? -5.718 -5.924 -3.860 1.00 76.19 127 A 1 ATOM 964 O OH . TYR A 1 127 ? -5.910 -6.402 -5.109 1.00 74.28 127 A 1 ATOM 965 N N . GLY A 1 128 ? -4.271 -1.439 -0.940 1.00 93.34 128 A 1 ATOM 966 C CA . GLY A 1 128 ? -3.986 -0.306 -1.820 1.00 91.81 128 A 1 ATOM 967 C C . GLY A 1 128 ? -3.391 -0.650 -3.183 1.00 91.26 128 A 1 ATOM 968 O O . GLY A 1 128 ? -2.659 0.182 -3.707 1.00 87.47 128 A 1 ATOM 969 N N . ALA A 1 129 ? -3.655 -1.829 -3.751 1.00 89.48 129 A 1 ATOM 970 C CA . ALA A 1 129 ? -3.229 -2.116 -5.123 1.00 88.30 129 A 1 ATOM 971 C C . ALA A 1 129 ? -3.919 -1.154 -6.104 1.00 88.55 129 A 1 ATOM 972 O O . ALA A 1 129 ? -5.126 -0.923 -5.996 1.00 85.85 129 A 1 ATOM 973 C CB . ALA A 1 129 ? -3.529 -3.573 -5.479 1.00 85.86 129 A 1 ATOM 974 N N . HIS A 1 130 ? -3.162 -0.620 -7.063 1.00 88.41 130 A 1 ATOM 975 C CA . HIS A 1 130 ? -3.623 0.338 -8.066 1.00 85.95 130 A 1 ATOM 976 C C . HIS A 1 130 ? -3.274 -0.098 -9.499 1.00 84.19 130 A 1 ATOM 977 O O . HIS A 1 130 ? -2.546 -1.064 -9.714 1.00 78.72 130 A 1 ATOM 978 C CB . HIS A 1 130 ? -3.102 1.733 -7.695 1.00 83.52 130 A 1 ATOM 979 C CG . HIS A 1 130 ? -1.604 1.909 -7.742 1.00 81.53 130 A 1 ATOM 980 N ND1 . HIS A 1 130 ? -0.710 1.310 -8.590 1.00 70.62 130 A 1 ATOM 981 C CD2 . HIS A 1 130 ? -0.874 2.771 -6.967 1.00 71.92 130 A 1 ATOM 982 C CE1 . HIS A 1 130 ? 0.513 1.794 -8.333 1.00 71.18 130 A 1 ATOM 983 N NE2 . HIS A 1 130 ? 0.461 2.697 -7.356 1.00 74.44 130 A 1 ATOM 984 N N . ALA A 1 131 ? -3.811 0.598 -10.504 1.00 80.14 131 A 1 ATOM 985 C CA . ALA A 1 131 ? -3.687 0.196 -11.908 1.00 76.55 131 A 1 ATOM 986 C C . ALA A 1 131 ? -2.230 0.073 -12.389 1.00 77.32 131 A 1 ATOM 987 O O . ALA A 1 131 ? -1.912 -0.853 -13.133 1.00 71.99 131 A 1 ATOM 988 C CB . ALA A 1 131 ? -4.469 1.191 -12.767 1.00 73.21 131 A 1 ATOM 989 N N . ASP A 1 132 ? -1.345 0.964 -11.936 1.00 73.55 132 A 1 ATOM 990 C CA . ASP A 1 132 ? 0.064 0.958 -12.353 1.00 71.54 132 A 1 ATOM 991 C C . ASP A 1 132 ? 0.839 -0.252 -11.785 1.00 72.31 132 A 1 ATOM 992 O O . ASP A 1 132 ? 1.749 -0.748 -12.442 1.00 68.00 132 A 1 ATOM 993 C CB . ASP A 1 132 ? 0.734 2.290 -11.974 1.00 68.56 132 A 1 ATOM 994 C CG . ASP A 1 132 ? 0.002 3.548 -12.483 1.00 65.65 132 A 1 ATOM 995 O OD1 . ASP A 1 132 ? -0.582 3.520 -13.588 1.00 62.32 132 A 1 ATOM 996 O OD2 . ASP A 1 132 ? -0.034 4.548 -11.726 1.00 61.75 132 A 1 ATOM 997 N N . ASP A 1 133 ? 0.443 -0.812 -10.618 1.00 75.82 133 A 1 ATOM 998 C CA . ASP A 1 133 ? 1.036 -2.048 -10.070 1.00 72.84 133 A 1 ATOM 999 C C . ASP A 1 133 ? 0.719 -3.277 -10.941 1.00 71.45 133 A 1 ATOM 1000 O O . ASP A 1 133 ? 1.515 -4.212 -11.043 1.00 68.36 133 A 1 ATOM 1001 C CB . ASP A 1 133 ? 0.493 -2.342 -8.661 1.00 71.18 133 A 1 ATOM 1002 C CG . ASP A 1 133 ? 0.885 -1.345 -7.575 1.00 67.96 133 A 1 ATOM 1003 O OD1 . ASP A 1 133 ? 2.027 -0.844 -7.600 1.00 66.27 133 A 1 ATOM 1004 O OD2 . ASP A 1 133 ? 0.031 -1.138 -6.676 1.00 65.05 133 A 1 ATOM 1005 N N . ALA A 1 134 ? -0.474 -3.290 -11.548 1.00 75.11 134 A 1 ATOM 1006 C CA . ALA A 1 134 ? -0.923 -4.361 -12.434 1.00 71.69 134 A 1 ATOM 1007 C C . ALA A 1 134 ? -0.414 -4.203 -13.878 1.00 72.17 134 A 1 ATOM 1008 O O . ALA A 1 134 ? -0.420 -5.165 -14.649 1.00 68.34 134 A 1 ATOM 1009 C CB . ALA A 1 134 ? -2.454 -4.395 -12.386 1.00 68.42 134 A 1 ATOM 1010 N N . ALA A 1 135 ? 0.002 -2.998 -14.260 1.00 66.70 135 A 1 ATOM 1011 C CA . ALA A 1 135 ? 0.410 -2.685 -15.624 1.00 64.90 135 A 1 ATOM 1012 C C . ALA A 1 135 ? 1.599 -3.554 -16.061 1.00 65.42 135 A 1 ATOM 1013 O O . ALA A 1 135 ? 2.595 -3.692 -15.358 1.00 61.02 135 A 1 ATOM 1014 C CB . ALA A 1 135 ? 0.712 -1.187 -15.740 1.00 61.22 135 A 1 ATOM 1015 N N . GLY A 1 136 ? 1.475 -4.184 -17.235 1.00 59.04 136 A 1 ATOM 1016 C CA . GLY A 1 136 ? 2.517 -5.066 -17.773 1.00 57.05 136 A 1 ATOM 1017 C C . GLY A 1 136 ? 2.762 -6.351 -16.969 1.00 60.58 136 A 1 ATOM 1018 O O . GLY A 1 136 ? 3.732 -7.039 -17.248 1.00 56.58 136 A 1 ATOM 1019 N N . GLY A 1 137 ? 1.905 -6.681 -15.981 1.00 62.40 137 A 1 ATOM 1020 C CA . GLY A 1 137 ? 2.084 -7.873 -15.143 1.00 62.56 137 A 1 ATOM 1021 C C . GLY A 1 137 ? 3.226 -7.764 -14.121 1.00 66.23 137 A 1 ATOM 1022 O O . GLY A 1 137 ? 3.679 -8.784 -13.614 1.00 62.25 137 A 1 ATOM 1023 N N . ALA A 1 138 ? 3.669 -6.542 -13.795 1.00 71.91 138 A 1 ATOM 1024 C CA . ALA A 1 138 ? 4.762 -6.263 -12.855 1.00 72.04 138 A 1 ATOM 1025 C C . ALA A 1 138 ? 4.595 -6.980 -11.514 1.00 75.84 138 A 1 ATOM 1026 O O . ALA A 1 138 ? 5.528 -7.594 -10.990 1.00 73.27 138 A 1 ATOM 1027 C CB . ALA A 1 138 ? 4.794 -4.745 -12.613 1.00 67.62 138 A 1 ATOM 1028 N N . TYR A 1 139 ? 3.383 -6.912 -10.975 1.00 79.05 139 A 1 ATOM 1029 C CA . TYR A 1 139 ? 2.966 -7.523 -9.724 1.00 81.71 139 A 1 ATOM 1030 C C . TYR A 1 139 ? 1.704 -8.364 -9.974 1.00 84.66 139 A 1 ATOM 1031 O O . TYR A 1 139 ? 0.591 -7.840 -9.921 1.00 83.40 139 A 1 ATOM 1032 C CB . TYR A 1 139 ? 2.755 -6.434 -8.675 1.00 79.59 139 A 1 ATOM 1033 C CG . TYR A 1 139 ? 4.019 -5.678 -8.320 1.00 77.87 139 A 1 ATOM 1034 C CD1 . TYR A 1 139 ? 4.939 -6.239 -7.415 1.00 75.83 139 A 1 ATOM 1035 C CD2 . TYR A 1 139 ? 4.285 -4.423 -8.901 1.00 75.19 139 A 1 ATOM 1036 C CE1 . TYR A 1 139 ? 6.118 -5.549 -7.088 1.00 72.79 139 A 1 ATOM 1037 C CE2 . TYR A 1 139 ? 5.467 -3.734 -8.578 1.00 72.40 139 A 1 ATOM 1038 C CZ . TYR A 1 139 ? 6.385 -4.297 -7.667 1.00 72.80 139 A 1 ATOM 1039 O OH . TYR A 1 139 ? 7.521 -3.637 -7.343 1.00 69.23 139 A 1 ATOM 1040 N N . PRO A 1 140 ? 1.835 -9.683 -10.231 1.00 87.36 140 A 1 ATOM 1041 C CA . PRO A 1 140 ? 0.694 -10.569 -10.484 1.00 87.89 140 A 1 ATOM 1042 C C . PRO A 1 140 ? -0.342 -10.584 -9.354 1.00 89.34 140 A 1 ATOM 1043 O O . PRO A 1 140 ? -1.528 -10.787 -9.596 1.00 88.64 140 A 1 ATOM 1044 C CB . PRO A 1 140 ? 1.303 -11.961 -10.688 1.00 85.88 140 A 1 ATOM 1045 C CG . PRO A 1 140 ? 2.720 -11.666 -11.182 1.00 83.68 140 A 1 ATOM 1046 C CD . PRO A 1 140 ? 3.090 -10.395 -10.431 1.00 85.76 140 A 1 ATOM 1047 N N . ASP A 1 141 ? 0.090 -10.354 -8.115 1.00 89.93 141 A 1 ATOM 1048 C CA . ASP A 1 141 ? -0.756 -10.269 -6.923 1.00 90.01 141 A 1 ATOM 1049 C C . ASP A 1 141 ? -1.334 -8.859 -6.656 1.00 90.97 141 A 1 ATOM 1050 O O . ASP A 1 141 ? -1.794 -8.575 -5.550 1.00 89.95 141 A 1 ATOM 1051 C CB . ASP A 1 141 ? -0.021 -10.896 -5.719 1.00 88.08 141 A 1 ATOM 1052 C CG . ASP A 1 141 ? 1.262 -10.188 -5.273 1.00 86.84 141 A 1 ATOM 1053 O OD1 . ASP A 1 141 ? 1.787 -9.323 -6.006 1.00 84.93 141 A 1 ATOM 1054 O OD2 . ASP A 1 141 ? 1.759 -10.559 -4.180 1.00 84.07 141 A 1 ATOM 1055 N N . CYS A 1 142 ? -1.360 -7.996 -7.679 1.00 89.37 142 A 1 ATOM 1056 C CA . CYS A 1 142 ? -2.058 -6.707 -7.715 1.00 88.21 142 A 1 ATOM 1057 C C . CYS A 1 142 ? -3.097 -6.607 -8.850 1.00 88.81 142 A 1 ATOM 1058 O O . CYS A 1 142 ? -3.753 -5.576 -8.999 1.00 87.62 142 A 1 ATOM 1059 C CB . CYS A 1 142 ? -1.021 -5.576 -7.812 1.00 86.54 142 A 1 ATOM 1060 S SG . CYS A 1 142 ? 0.001 -5.507 -6.311 1.00 83.73 142 A 1 ATOM 1061 N N . THR A 1 143 ? -3.278 -7.658 -9.659 1.00 89.04 143 A 1 ATOM 1062 C CA . THR A 1 143 ? -4.182 -7.642 -10.820 1.00 88.86 143 A 1 ATOM 1063 C C . THR A 1 143 ? -5.664 -7.728 -10.415 1.00 90.48 143 A 1 ATOM 1064 O O . THR A 1 143 ? -5.996 -8.273 -9.352 1.00 91.06 143 A 1 ATOM 1065 C CB . THR A 1 143 ? -3.857 -8.758 -11.824 1.00 87.37 143 A 1 ATOM 1066 O OG1 . THR A 1 143 ? -4.079 -10.023 -11.242 1.00 84.86 143 A 1 ATOM 1067 C CG2 . THR A 1 143 ? -2.418 -8.703 -12.329 1.00 84.20 143 A 1 ATOM 1068 N N . PRO A 1 144 ? -6.599 -7.255 -11.261 1.00 88.91 144 A 1 ATOM 1069 C CA . PRO A 1 144 ? -8.033 -7.454 -11.042 1.00 88.95 144 A 1 ATOM 1070 C C . PRO A 1 144 ? -8.434 -8.931 -10.901 1.00 90.86 144 A 1 ATOM 1071 O O . PRO A 1 144 ? -9.300 -9.266 -10.093 1.00 91.16 144 A 1 ATOM 1072 C CB . PRO A 1 144 ? -8.719 -6.806 -12.251 1.00 87.38 144 A 1 ATOM 1073 C CG . PRO A 1 144 ? -7.722 -5.741 -12.703 1.00 84.56 144 A 1 ATOM 1074 C CD . PRO A 1 144 ? -6.377 -6.412 -12.434 1.00 86.11 144 A 1 ATOM 1075 N N . GLU A 1 145 ? -7.800 -9.836 -11.648 1.00 89.95 145 A 1 ATOM 1076 C CA . GLU A 1 145 ? -8.030 -11.283 -11.590 1.00 90.57 145 A 1 ATOM 1077 C C . GLU A 1 145 ? -7.636 -11.858 -10.227 1.00 92.48 145 A 1 ATOM 1078 O O . GLU A 1 145 ? -8.384 -12.640 -9.632 1.00 92.62 145 A 1 ATOM 1079 C CB . GLU A 1 145 ? -7.234 -12.009 -12.692 1.00 89.13 145 A 1 ATOM 1080 C CG . GLU A 1 145 ? -7.651 -11.669 -14.135 1.00 84.04 145 A 1 ATOM 1081 C CD . GLU A 1 145 ? -7.214 -10.275 -14.625 1.00 83.18 145 A 1 ATOM 1082 O OE1 . GLU A 1 145 ? -7.815 -9.817 -15.624 1.00 75.31 145 A 1 ATOM 1083 O OE2 . GLU A 1 145 ? -6.341 -9.651 -13.985 1.00 75.93 145 A 1 ATOM 1084 N N . PHE A 1 146 ? -6.478 -11.447 -9.705 1.00 91.93 146 A 1 ATOM 1085 C CA . PHE A 1 146 ? -6.026 -11.809 -8.368 1.00 92.69 146 A 1 ATOM 1086 C C . PHE A 1 146 ? -6.968 -11.258 -7.294 1.00 93.97 146 A 1 ATOM 1087 O O . PHE A 1 146 ? -7.410 -12.012 -6.423 1.00 94.53 146 A 1 ATOM 1088 C CB . PHE A 1 146 ? -4.596 -11.310 -8.155 1.00 92.46 146 A 1 ATOM 1089 C CG . PHE A 1 146 ? -4.124 -11.511 -6.730 1.00 91.98 146 A 1 ATOM 1090 C CD1 . PHE A 1 146 ? -4.227 -10.459 -5.801 1.00 91.37 146 A 1 ATOM 1091 C CD2 . PHE A 1 146 ? -3.638 -12.767 -6.322 1.00 91.77 146 A 1 ATOM 1092 C CE1 . PHE A 1 146 ? -3.833 -10.657 -4.470 1.00 91.29 146 A 1 ATOM 1093 C CE2 . PHE A 1 146 ? -3.242 -12.963 -4.991 1.00 91.11 146 A 1 ATOM 1094 C CZ . PHE A 1 146 ? -3.340 -11.906 -4.064 1.00 90.86 146 A 1 ATOM 1095 N N . TYR A 1 147 ? -7.336 -9.976 -7.383 1.00 93.28 147 A 1 ATOM 1096 C CA . TYR A 1 147 ? -8.292 -9.347 -6.471 1.00 94.05 147 A 1 ATOM 1097 C C . TYR A 1 147 ? -9.614 -10.119 -6.407 1.00 94.76 147 A 1 ATOM 1098 O O . TYR A 1 147 ? -10.056 -10.487 -5.318 1.00 95.23 147 A 1 ATOM 1099 C CB . TYR A 1 147 ? -8.539 -7.891 -6.891 1.00 94.21 147 A 1 ATOM 1100 C CG . TYR A 1 147 ? -9.776 -7.287 -6.250 1.00 94.12 147 A 1 ATOM 1101 C CD1 . TYR A 1 147 ? -10.970 -7.151 -6.993 1.00 92.81 147 A 1 ATOM 1102 C CD2 . TYR A 1 147 ? -9.755 -6.929 -4.892 1.00 93.25 147 A 1 ATOM 1103 C CE1 . TYR A 1 147 ? -12.132 -6.652 -6.375 1.00 92.83 147 A 1 ATOM 1104 C CE2 . TYR A 1 147 ? -10.915 -6.432 -4.270 1.00 93.09 147 A 1 ATOM 1105 C CZ . TYR A 1 147 ? -12.105 -6.293 -5.012 1.00 92.95 147 A 1 ATOM 1106 O OH . TYR A 1 147 ? -13.223 -5.813 -4.405 1.00 91.84 147 A 1 ATOM 1107 N N . ASN A 1 148 ? -10.227 -10.418 -7.563 1.00 95.38 148 A 1 ATOM 1108 C CA . ASN A 1 148 ? -11.498 -11.144 -7.627 1.00 95.54 148 A 1 ATOM 1109 C C . ASN A 1 148 ? -11.382 -12.547 -7.014 1.00 96.24 148 A 1 ATOM 1110 O O . ASN A 1 148 ? -12.259 -12.984 -6.265 1.00 96.37 148 A 1 ATOM 1111 C CB . ASN A 1 148 ? -11.944 -11.223 -9.098 1.00 95.09 148 A 1 ATOM 1112 C CG . ASN A 1 148 ? -12.447 -9.890 -9.631 1.00 91.02 148 A 1 ATOM 1113 O OD1 . ASN A 1 148 ? -13.102 -9.120 -8.951 1.00 83.11 148 A 1 ATOM 1114 N ND2 . ASN A 1 148 ? -12.185 -9.583 -10.877 1.00 82.21 148 A 1 ATOM 1115 N N . SER A 1 149 ? -10.279 -13.248 -7.291 1.00 96.63 149 A 1 ATOM 1116 C CA . SER A 1 149 ? -10.026 -14.588 -6.748 1.00 96.92 149 A 1 ATOM 1117 C C . SER A 1 149 ? -9.857 -14.569 -5.225 1.00 97.33 149 A 1 ATOM 1118 O O . SER A 1 149 ? -10.488 -15.358 -4.521 1.00 97.11 149 A 1 ATOM 1119 C CB . SER A 1 149 ? -8.785 -15.199 -7.410 1.00 96.69 149 A 1 ATOM 1120 O OG . SER A 1 149 ? -8.969 -15.269 -8.809 1.00 92.87 149 A 1 ATOM 1121 N N . MET A 1 150 ? -9.063 -13.637 -4.693 1.00 97.30 150 A 1 ATOM 1122 C CA . MET A 1 150 ? -8.866 -13.464 -3.252 1.00 97.41 150 A 1 ATOM 1123 C C . MET A 1 150 ? -10.133 -12.977 -2.548 1.00 97.64 150 A 1 ATOM 1124 O O . MET A 1 150 ? -10.430 -13.454 -1.454 1.00 97.40 150 A 1 ATOM 1125 C CB . MET A 1 150 ? -7.704 -12.501 -2.981 1.00 96.96 150 A 1 ATOM 1126 C CG . MET A 1 150 ? -6.334 -13.146 -3.230 1.00 91.61 150 A 1 ATOM 1127 S SD . MET A 1 150 ? -5.955 -14.637 -2.251 1.00 94.13 150 A 1 ATOM 1128 C CE . MET A 1 150 ? -6.048 -13.996 -0.557 1.00 86.90 150 A 1 ATOM 1129 N N . SER A 1 151 ? -10.907 -12.078 -3.169 1.00 97.88 151 A 1 ATOM 1130 C CA . SER A 1 151 ? -12.187 -11.611 -2.627 1.00 97.72 151 A 1 ATOM 1131 C C . SER A 1 151 ? -13.158 -12.775 -2.416 1.00 97.91 151 A 1 ATOM 1132 O O . SER A 1 151 ? -13.662 -12.961 -1.310 1.00 97.66 151 A 1 ATOM 1133 C CB . SER A 1 151 ? -12.799 -10.554 -3.554 1.00 97.03 151 A 1 ATOM 1134 O OG . SER A 1 151 ? -13.926 -9.964 -2.934 1.00 90.06 151 A 1 ATOM 1135 N N . ASN A 1 152 ? -13.326 -13.633 -3.437 1.00 98.15 152 A 1 ATOM 1136 C CA . ASN A 1 152 ? -14.159 -14.833 -3.335 1.00 98.19 152 A 1 ATOM 1137 C C . ASN A 1 152 ? -13.631 -15.809 -2.270 1.00 98.34 152 A 1 ATOM 1138 O O . ASN A 1 152 ? -14.397 -16.321 -1.453 1.00 97.94 152 A 1 ATOM 1139 C CB . ASN A 1 152 ? -14.216 -15.516 -4.713 1.00 97.96 152 A 1 ATOM 1140 C CG . ASN A 1 152 ? -15.026 -14.743 -5.740 1.00 96.49 152 A 1 ATOM 1141 O OD1 . ASN A 1 152 ? -15.930 -13.991 -5.438 1.00 88.79 152 A 1 ATOM 1142 N ND2 . ASN A 1 152 ? -14.754 -14.934 -7.008 1.00 88.94 152 A 1 ATOM 1143 N N . ALA A 1 153 ? -12.313 -16.050 -2.232 1.00 98.19 153 A 1 ATOM 1144 C CA . ALA A 1 153 ? -11.700 -16.938 -1.245 1.00 98.11 153 A 1 ATOM 1145 C C . ALA A 1 153 ? -11.931 -16.449 0.197 1.00 98.27 153 A 1 ATOM 1146 O O . ALA A 1 153 ? -12.280 -17.241 1.075 1.00 97.86 153 A 1 ATOM 1147 C CB . ALA A 1 153 ? -10.205 -17.075 -1.564 1.00 97.68 153 A 1 ATOM 1148 N N . MET A 1 154 ? -11.776 -15.141 0.443 1.00 98.14 154 A 1 ATOM 1149 C CA . MET A 1 154 ? -12.017 -14.521 1.747 1.00 98.19 154 A 1 ATOM 1150 C C . MET A 1 154 ? -13.495 -14.572 2.142 1.00 98.25 154 A 1 ATOM 1151 O O . MET A 1 154 ? -13.807 -14.933 3.276 1.00 97.75 154 A 1 ATOM 1152 C CB . MET A 1 154 ? -11.516 -13.074 1.738 1.00 97.83 154 A 1 ATOM 1153 C CG . MET A 1 154 ? -9.985 -12.997 1.734 1.00 96.44 154 A 1 ATOM 1154 S SD . MET A 1 154 ? -9.292 -11.337 1.524 1.00 96.13 154 A 1 ATOM 1155 C CE . MET A 1 154 ? -9.932 -10.509 2.998 1.00 90.87 154 A 1 ATOM 1156 N N . GLU A 1 155 ? -14.401 -14.259 1.214 1.00 98.03 155 A 1 ATOM 1157 C CA . GLU A 1 155 ? -15.843 -14.315 1.461 1.00 97.78 155 A 1 ATOM 1158 C C . GLU A 1 155 ? -16.294 -15.741 1.823 1.00 98.00 155 A 1 ATOM 1159 O O . GLU A 1 155 ? -16.903 -15.946 2.880 1.00 97.39 155 A 1 ATOM 1160 C CB . GLU A 1 155 ? -16.596 -13.761 0.239 1.00 96.78 155 A 1 ATOM 1161 C CG . GLU A 1 155 ? -18.107 -13.692 0.515 1.00 88.98 155 A 1 ATOM 1162 C CD . GLU A 1 155 ? -18.921 -13.007 -0.596 1.00 84.42 155 A 1 ATOM 1163 O OE1 . GLU A 1 155 ? -20.144 -12.838 -0.358 1.00 75.60 155 A 1 ATOM 1164 O OE2 . GLU A 1 155 ? -18.342 -12.648 -1.645 1.00 75.59 155 A 1 ATOM 1165 N N . TYR A 1 156 ? -15.923 -16.748 1.022 1.00 98.30 156 A 1 ATOM 1166 C CA . TYR A 1 156 ? -16.260 -18.144 1.307 1.00 98.24 156 A 1 ATOM 1167 C C . TYR A 1 156 ? -15.580 -18.658 2.578 1.00 98.28 156 A 1 ATOM 1168 O O . TYR A 1 156 ? -16.241 -19.260 3.429 1.00 97.67 156 A 1 ATOM 1169 C CB . TYR A 1 156 ? -15.908 -19.030 0.101 1.00 98.01 156 A 1 ATOM 1170 C CG . TYR A 1 156 ? -16.688 -18.742 -1.174 1.00 96.97 156 A 1 ATOM 1171 C CD1 . TYR A 1 156 ? -18.071 -18.475 -1.127 1.00 92.38 156 A 1 ATOM 1172 C CD2 . TYR A 1 156 ? -16.026 -18.756 -2.419 1.00 92.86 156 A 1 ATOM 1173 C CE1 . TYR A 1 156 ? -18.783 -18.203 -2.311 1.00 91.26 156 A 1 ATOM 1174 C CE2 . TYR A 1 156 ? -16.735 -18.489 -3.608 1.00 91.97 156 A 1 ATOM 1175 C CZ . TYR A 1 156 ? -18.113 -18.206 -3.552 1.00 92.20 156 A 1 ATOM 1176 O OH . TYR A 1 156 ? -18.797 -17.929 -4.696 1.00 90.25 156 A 1 ATOM 1177 N N . GLY A 1 157 ? -14.292 -18.372 2.763 1.00 97.97 157 A 1 ATOM 1178 C CA . GLY A 1 157 ? -13.514 -18.823 3.922 1.00 97.79 157 A 1 ATOM 1179 C C . GLY A 1 157 ? -13.975 -18.220 5.253 1.00 98.11 157 A 1 ATOM 1180 O O . GLY A 1 157 ? -13.772 -18.822 6.306 1.00 97.54 157 A 1 ATOM 1181 N N . THR A 1 158 ? -14.639 -17.061 5.220 1.00 98.09 158 A 1 ATOM 1182 C CA . THR A 1 158 ? -15.181 -16.386 6.414 1.00 98.19 158 A 1 ATOM 1183 C C . THR A 1 158 ? -16.697 -16.534 6.572 1.00 98.19 158 A 1 ATOM 1184 O O . THR A 1 158 ? -17.292 -15.929 7.471 1.00 97.57 158 A 1 ATOM 1185 C CB . THR A 1 158 ? -14.751 -14.918 6.476 1.00 98.06 158 A 1 ATOM 1186 O OG1 . THR A 1 158 ? -15.291 -14.190 5.406 1.00 97.24 158 A 1 ATOM 1187 C CG2 . THR A 1 158 ? -13.230 -14.753 6.477 1.00 96.74 158 A 1 ATOM 1188 N N . GLY A 1 159 ? -17.348 -17.341 5.724 1.00 98.04 159 A 1 ATOM 1189 C CA . GLY A 1 159 ? -18.800 -17.529 5.751 1.00 97.95 159 A 1 ATOM 1190 C C . GLY A 1 159 ? -19.576 -16.233 5.489 1.00 98.12 159 A 1 ATOM 1191 O O . GLY A 1 159 ? -20.573 -15.965 6.166 1.00 96.92 159 A 1 ATOM 1192 N N . GLY A 1 160 ? -19.080 -15.391 4.571 1.00 97.90 160 A 1 ATOM 1193 C CA . GLY A 1 160 ? -19.680 -14.104 4.202 1.00 97.82 160 A 1 ATOM 1194 C C . GLY A 1 160 ? -19.491 -12.985 5.232 1.00 98.11 160 A 1 ATOM 1195 O O . GLY A 1 160 ? -20.231 -12.006 5.228 1.00 97.15 160 A 1 ATOM 1196 N N . LYS A 1 161 ? -18.552 -13.137 6.179 1.00 98.03 161 A 1 ATOM 1197 C CA . LYS A 1 161 ? -18.323 -12.139 7.240 1.00 98.03 161 A 1 ATOM 1198 C C . LYS A 1 161 ? -17.293 -11.079 6.876 1.00 98.29 161 A 1 ATOM 1199 O O . LYS A 1 161 ? -17.357 -9.986 7.438 1.00 97.79 161 A 1 ATOM 1200 C CB . LYS A 1 161 ? -17.919 -12.827 8.550 1.00 97.70 161 A 1 ATOM 1201 C CG . LYS A 1 161 ? -18.986 -13.763 9.129 1.00 95.77 161 A 1 ATOM 1202 C CD . LYS A 1 161 ? -20.302 -13.039 9.431 1.00 90.46 161 A 1 ATOM 1203 C CE . LYS A 1 161 ? -21.295 -14.031 10.032 1.00 87.13 161 A 1 ATOM 1204 N NZ . LYS A 1 161 ? -22.634 -13.414 10.181 1.00 76.42 161 A 1 ATOM 1205 N N . VAL A 1 162 ? -16.354 -11.391 5.984 1.00 98.13 162 A 1 ATOM 1206 C CA . VAL A 1 162 ? -15.270 -10.485 5.587 1.00 98.30 162 A 1 ATOM 1207 C C . VAL A 1 162 ? -15.236 -10.359 4.071 1.00 98.26 162 A 1 ATOM 1208 O O . VAL A 1 162 ? -15.114 -11.359 3.372 1.00 97.80 162 A 1 ATOM 1209 C CB . VAL A 1 162 ? -13.908 -10.949 6.133 1.00 98.23 162 A 1 ATOM 1210 C CG1 . VAL A 1 162 ? -12.791 -9.967 5.759 1.00 97.78 162 A 1 ATOM 1211 C CG2 . VAL A 1 162 ? -13.920 -11.067 7.666 1.00 97.59 162 A 1 ATOM 1212 N N . THR A 1 163 ? -15.288 -9.120 3.579 1.00 98.10 163 A 1 ATOM 1213 C CA . THR A 1 163 ? -15.206 -8.769 2.158 1.00 97.95 163 A 1 ATOM 1214 C C . THR A 1 163 ? -13.908 -8.012 1.887 1.00 98.25 163 A 1 ATOM 1215 O O . THR A 1 163 ? -13.545 -7.107 2.643 1.00 97.94 163 A 1 ATOM 1216 C CB . THR A 1 163 ? -16.419 -7.919 1.748 1.00 97.00 163 A 1 ATOM 1217 O OG1 . THR A 1 163 ? -17.619 -8.598 2.030 1.00 92.94 163 A 1 ATOM 1218 C CG2 . THR A 1 163 ? -16.443 -7.568 0.264 1.00 93.18 163 A 1 ATOM 1219 N N . LEU A 1 164 ? -13.210 -8.354 0.810 1.00 97.83 164 A 1 ATOM 1220 C CA . LEU A 1 164 ? -12.038 -7.617 0.338 1.00 97.80 164 A 1 ATOM 1221 C C . LEU A 1 164 ? -12.468 -6.360 -0.432 1.00 97.68 164 A 1 ATOM 1222 O O . LEU A 1 164 ? -13.380 -6.410 -1.253 1.00 97.06 164 A 1 ATOM 1223 C CB . LEU A 1 164 ? -11.161 -8.553 -0.507 1.00 97.58 164 A 1 ATOM 1224 C CG . LEU A 1 164 ? -9.829 -7.938 -0.972 1.00 96.93 164 A 1 ATOM 1225 C CD1 . LEU A 1 164 ? -8.931 -7.534 0.200 1.00 96.04 164 A 1 ATOM 1226 C CD2 . LEU A 1 164 ? -9.070 -8.957 -1.822 1.00 96.03 164 A 1 ATOM 1227 N N . VAL A 1 165 ? -11.786 -5.238 -0.189 1.00 97.55 165 A 1 ATOM 1228 C CA . VAL A 1 165 ? -12.026 -3.950 -0.850 1.00 97.35 165 A 1 ATOM 1229 C C . VAL A 1 165 ? -10.701 -3.397 -1.380 1.00 97.49 165 A 1 ATOM 1230 O O . VAL A 1 165 ? -9.709 -3.341 -0.661 1.00 96.74 165 A 1 ATOM 1231 C CB . VAL A 1 165 ? -12.712 -2.959 0.116 1.00 96.23 165 A 1 ATOM 1232 C CG1 . VAL A 1 165 ? -13.044 -1.635 -0.577 1.00 92.35 165 A 1 ATOM 1233 C CG2 . VAL A 1 165 ? -14.027 -3.519 0.681 1.00 91.61 165 A 1 ATOM 1234 N N . ALA A 1 166 ? -10.688 -2.969 -2.645 1.00 96.23 166 A 1 ATOM 1235 C CA . ALA A 1 166 ? -9.543 -2.354 -3.315 1.00 95.82 166 A 1 ATOM 1236 C C . ALA A 1 166 ? -9.972 -1.029 -3.969 1.00 95.70 166 A 1 ATOM 1237 O O . ALA A 1 166 ? -10.275 -1.003 -5.162 1.00 94.94 166 A 1 ATOM 1238 C CB . ALA A 1 166 ? -8.970 -3.354 -4.319 1.00 95.07 166 A 1 ATOM 1239 N N . PRO A 1 167 ? -10.059 0.077 -3.202 1.00 96.65 167 A 1 ATOM 1240 C CA . PRO A 1 167 ? -10.616 1.337 -3.707 1.00 96.34 167 A 1 ATOM 1241 C C . PRO A 1 167 ? -9.764 1.979 -4.805 1.00 95.91 167 A 1 ATOM 1242 O O . PRO A 1 167 ? -10.282 2.773 -5.584 1.00 94.90 167 A 1 ATOM 1243 C CB . PRO A 1 167 ? -10.732 2.240 -2.473 1.00 96.47 167 A 1 ATOM 1244 C CG . PRO A 1 167 ? -9.641 1.719 -1.541 1.00 95.84 167 A 1 ATOM 1245 C CD . PRO A 1 167 ? -9.634 0.220 -1.821 1.00 97.00 167 A 1 ATOM 1246 N N . LEU A 1 168 ? -8.482 1.622 -4.889 1.00 95.15 168 A 1 ATOM 1247 C CA . LEU A 1 168 ? -7.521 2.218 -5.822 1.00 94.50 168 A 1 ATOM 1248 C C . LEU A 1 168 ? -7.310 1.384 -7.097 1.00 93.36 168 A 1 ATOM 1249 O O . LEU A 1 168 ? -6.616 1.832 -7.998 1.00 91.78 168 A 1 ATOM 1250 C CB . LEU A 1 168 ? -6.187 2.465 -5.091 1.00 94.91 168 A 1 ATOM 1251 C CG . LEU A 1 168 ? -6.291 3.144 -3.713 1.00 94.56 168 A 1 ATOM 1252 C CD1 . LEU A 1 168 ? -4.885 3.383 -3.165 1.00 94.21 168 A 1 ATOM 1253 C CD2 . LEU A 1 168 ? -7.037 4.480 -3.754 1.00 94.22 168 A 1 ATOM 1254 N N . LEU A 1 169 ? -7.912 0.187 -7.212 1.00 93.35 169 A 1 ATOM 1255 C CA . LEU A 1 169 ? -7.561 -0.843 -8.204 1.00 91.83 169 A 1 ATOM 1256 C C . LEU A 1 169 ? -7.587 -0.358 -9.668 1.00 90.98 169 A 1 ATOM 1257 O O . LEU A 1 169 ? -6.830 -0.855 -10.497 1.00 89.14 169 A 1 ATOM 1258 C CB . LEU A 1 169 ? -8.525 -2.029 -8.007 1.00 90.78 169 A 1 ATOM 1259 C CG . LEU A 1 169 ? -8.171 -3.298 -8.801 1.00 88.07 169 A 1 ATOM 1260 C CD1 . LEU A 1 169 ? -6.840 -3.905 -8.352 1.00 86.16 169 A 1 ATOM 1261 C CD2 . LEU A 1 169 ? -9.269 -4.347 -8.574 1.00 86.00 169 A 1 ATOM 1262 N N . THR A 1 170 ? -8.450 0.599 -9.995 1.00 90.56 170 A 1 ATOM 1263 C CA . THR A 1 170 ? -8.601 1.152 -11.353 1.00 89.80 170 A 1 ATOM 1264 C C . THR A 1 170 ? -8.000 2.552 -11.511 1.00 89.76 170 A 1 ATOM 1265 O O . THR A 1 170 ? -8.197 3.177 -12.549 1.00 88.42 170 A 1 ATOM 1266 C CB . THR A 1 170 ? -10.078 1.168 -11.771 1.00 89.51 170 A 1 ATOM 1267 O OG1 . THR A 1 170 ? -10.822 1.974 -10.883 1.00 87.03 170 A 1 ATOM 1268 C CG2 . THR A 1 170 ? -10.704 -0.228 -11.756 1.00 84.80 170 A 1 ATOM 1269 N N . LEU A 1 171 ? -7.321 3.069 -10.487 1.00 92.04 171 A 1 ATOM 1270 C CA . LEU A 1 171 ? -6.776 4.426 -10.471 1.00 91.90 171 A 1 ATOM 1271 C C . LEU A 1 171 ? -5.293 4.427 -10.845 1.00 91.21 171 A 1 ATOM 1272 O O . LEU A 1 171 ? -4.552 3.522 -10.468 1.00 90.06 171 A 1 ATOM 1273 C CB . LEU A 1 171 ? -6.992 5.079 -9.095 1.00 92.92 171 A 1 ATOM 1274 C CG . LEU A 1 171 ? -8.451 5.138 -8.608 1.00 92.70 171 A 1 ATOM 1275 C CD1 . LEU A 1 171 ? -8.509 5.941 -7.309 1.00 90.96 171 A 1 ATOM 1276 C CD2 . LEU A 1 171 ? -9.394 5.798 -9.615 1.00 91.28 171 A 1 ATOM 1277 N N . THR A 1 172 ? -4.854 5.473 -11.540 1.00 91.26 172 A 1 ATOM 1278 C CA . THR A 1 172 ? -3.426 5.766 -11.719 1.00 91.21 172 A 1 ATOM 1279 C C . THR A 1 172 ? -2.836 6.353 -10.436 1.00 92.23 172 A 1 ATOM 1280 O O . THR A 1 172 ? -3.563 6.891 -9.590 1.00 92.43 172 A 1 ATOM 1281 C CB . THR A 1 172 ? -3.170 6.737 -12.884 1.00 90.76 172 A 1 ATOM 1282 O OG1 . THR A 1 172 ? -3.698 8.015 -12.602 1.00 88.96 172 A 1 ATOM 1283 C CG2 . THR A 1 172 ? -3.791 6.263 -14.200 1.00 88.20 172 A 1 ATOM 1284 N N . LYS A 1 173 ? -1.508 6.338 -10.303 1.00 92.08 173 A 1 ATOM 1285 C CA . LYS A 1 173 ? -0.807 6.945 -9.160 1.00 92.41 173 A 1 ATOM 1286 C C . LYS A 1 173 ? -1.179 8.415 -8.945 1.00 93.84 173 A 1 ATOM 1287 O O . LYS A 1 173 ? -1.416 8.829 -7.813 1.00 94.05 173 A 1 ATOM 1288 C CB . LYS A 1 173 ? 0.708 6.797 -9.371 1.00 90.62 173 A 1 ATOM 1289 C CG . LYS A 1 173 ? 1.534 7.054 -8.103 1.00 85.93 173 A 1 ATOM 1290 C CD . LYS A 1 173 ? 1.315 5.916 -7.109 1.00 81.12 173 A 1 ATOM 1291 C CE . LYS A 1 173 ? 2.369 5.876 -6.021 1.00 75.99 173 A 1 ATOM 1292 N NZ . LYS A 1 173 ? 2.306 4.555 -5.348 1.00 70.92 173 A 1 ATOM 1293 N N . ALA A 1 174 ? -1.289 9.183 -10.019 1.00 93.86 174 A 1 ATOM 1294 C CA . ALA A 1 174 ? -1.700 10.588 -9.946 1.00 94.47 174 A 1 ATOM 1295 C C . ALA A 1 174 ? -3.131 10.749 -9.408 1.00 95.40 174 A 1 ATOM 1296 O O . ALA A 1 174 ? -3.395 11.636 -8.597 1.00 95.73 174 A 1 ATOM 1297 C CB . ALA A 1 174 ? -1.557 11.204 -11.338 1.00 94.17 174 A 1 ATOM 1298 N N . GLN A 1 175 ? -4.056 9.860 -9.793 1.00 94.23 175 A 1 ATOM 1299 C CA . GLN A 1 175 ? -5.427 9.862 -9.271 1.00 94.57 175 A 1 ATOM 1300 C C . GLN A 1 175 ? -5.483 9.448 -7.793 1.00 95.44 175 A 1 ATOM 1301 O O . GLN A 1 175 ? -6.280 10.006 -7.040 1.00 95.80 175 A 1 ATOM 1302 C CB . GLN A 1 175 ? -6.299 8.926 -10.117 1.00 94.51 175 A 1 ATOM 1303 C CG . GLN A 1 175 ? -6.546 9.461 -11.533 1.00 93.45 175 A 1 ATOM 1304 C CD . GLN A 1 175 ? -7.243 8.425 -12.411 1.00 92.19 175 A 1 ATOM 1305 O OE1 . GLN A 1 175 ? -6.936 7.246 -12.404 1.00 87.97 175 A 1 ATOM 1306 N NE2 . GLN A 1 175 ? -8.209 8.815 -13.208 1.00 86.08 175 A 1 ATOM 1307 N N . VAL A 1 176 ? -4.627 8.508 -7.362 1.00 95.43 176 A 1 ATOM 1308 C CA . VAL A 1 176 ? -4.478 8.140 -5.941 1.00 95.76 176 A 1 ATOM 1309 C C . VAL A 1 176 ? -3.996 9.336 -5.120 1.00 96.41 176 A 1 ATOM 1310 O O . VAL A 1 176 ? -4.601 9.654 -4.097 1.00 96.48 176 A 1 ATOM 1311 C CB . VAL A 1 176 ? -3.518 6.948 -5.770 1.00 95.25 176 A 1 ATOM 1312 C CG1 . VAL A 1 176 ? -3.234 6.642 -4.292 1.00 94.40 176 A 1 ATOM 1313 C CG2 . VAL A 1 176 ? -4.095 5.678 -6.410 1.00 94.57 176 A 1 ATOM 1314 N N . VAL A 1 177 ? -2.946 10.021 -5.579 1.00 97.01 177 A 1 ATOM 1315 C CA . VAL A 1 177 ? -2.427 11.239 -4.932 1.00 97.11 177 A 1 ATOM 1316 C C . VAL A 1 177 ? -3.498 12.324 -4.888 1.00 97.31 177 A 1 ATOM 1317 O O . VAL A 1 177 ? -3.711 12.898 -3.826 1.00 97.28 177 A 1 ATOM 1318 C CB . VAL A 1 177 ? -1.146 11.742 -5.625 1.00 96.90 177 A 1 ATOM 1319 C CG1 . VAL A 1 177 ? -0.723 13.143 -5.162 1.00 95.89 177 A 1 ATOM 1320 C CG2 . VAL A 1 177 ? 0.019 10.791 -5.315 1.00 95.87 177 A 1 ATOM 1321 N N . LYS A 1 178 ? -4.219 12.550 -5.986 1.00 97.69 178 A 1 ATOM 1322 C CA . LYS A 1 178 ? -5.328 13.509 -6.027 1.00 97.79 178 A 1 ATOM 1323 C C . LYS A 1 178 ? -6.372 13.227 -4.948 1.00 97.90 178 A 1 ATOM 1324 O O . LYS A 1 178 ? -6.742 14.131 -4.210 1.00 97.81 178 A 1 ATOM 1325 C CB . LYS A 1 178 ? -5.959 13.516 -7.428 1.00 97.63 178 A 1 ATOM 1326 C CG . LYS A 1 178 ? -7.175 14.459 -7.414 1.00 95.36 178 A 1 ATOM 1327 C CD . LYS A 1 178 ? -7.679 14.823 -8.813 1.00 89.21 178 A 1 ATOM 1328 C CE . LYS A 1 178 ? -8.946 15.689 -8.676 1.00 83.84 178 A 1 ATOM 1329 N NZ . LYS A 1 178 ? -8.791 16.785 -7.671 1.00 71.98 178 A 1 ATOM 1330 N N . TRP A 1 179 ? -6.822 11.972 -4.839 1.00 97.60 179 A 1 ATOM 1331 C CA . TRP A 1 179 ? -7.819 11.608 -3.833 1.00 97.81 179 A 1 ATOM 1332 C C . TRP A 1 179 ? -7.293 11.823 -2.415 1.00 98.01 179 A 1 ATOM 1333 O O . TRP A 1 179 ? -8.002 12.344 -1.560 1.00 97.64 179 A 1 ATOM 1334 C CB . TRP A 1 179 ? -8.262 10.162 -4.053 1.00 97.66 179 A 1 ATOM 1335 C CG . TRP A 1 179 ? -9.519 9.726 -3.359 1.00 97.08 179 A 1 ATOM 1336 C CD1 . TRP A 1 179 ? -10.251 10.435 -2.457 1.00 94.74 179 A 1 ATOM 1337 C CD2 . TRP A 1 179 ? -10.243 8.466 -3.526 1.00 96.75 179 A 1 ATOM 1338 N NE1 . TRP A 1 179 ? -11.352 9.711 -2.057 1.00 94.80 179 A 1 ATOM 1339 C CE2 . TRP A 1 179 ? -11.399 8.489 -2.692 1.00 96.48 179 A 1 ATOM 1340 C CE3 . TRP A 1 179 ? -10.034 7.309 -4.315 1.00 94.45 179 A 1 ATOM 1341 C CZ2 . TRP A 1 179 ? -12.311 7.419 -2.640 1.00 94.49 179 A 1 ATOM 1342 C CZ3 . TRP A 1 179 ? -10.942 6.235 -4.269 1.00 94.13 179 A 1 ATOM 1343 C CH2 . TRP A 1 179 ? -12.074 6.289 -3.438 1.00 93.66 179 A 1 ATOM 1344 N N . GLY A 1 180 ? -6.030 11.478 -2.161 1.00 98.07 180 A 1 ATOM 1345 C CA . GLY A 1 180 ? -5.432 11.717 -0.854 1.00 98.06 180 A 1 ATOM 1346 C C . GLY A 1 180 ? -5.235 13.196 -0.521 1.00 98.19 180 A 1 ATOM 1347 O O . GLY A 1 180 ? -5.395 13.561 0.638 1.00 97.90 180 A 1 ATOM 1348 N N . ILE A 1 181 ? -4.936 14.059 -1.512 1.00 98.18 181 A 1 ATOM 1349 C CA . ILE A 1 181 ? -4.924 15.525 -1.338 1.00 98.02 181 A 1 ATOM 1350 C C . ILE A 1 181 ? -6.317 16.017 -0.934 1.00 98.10 181 A 1 ATOM 1351 O O . ILE A 1 181 ? -6.435 16.768 0.024 1.00 97.70 181 A 1 ATOM 1352 C CB . ILE A 1 181 ? -4.440 16.227 -2.627 1.00 97.77 181 A 1 ATOM 1353 C CG1 . ILE A 1 181 ? -2.936 15.959 -2.869 1.00 96.46 181 A 1 ATOM 1354 C CG2 . ILE A 1 181 ? -4.690 17.749 -2.575 1.00 96.21 181 A 1 ATOM 1355 C CD1 . ILE A 1 181 ? -2.513 16.210 -4.326 1.00 93.81 181 A 1 ATOM 1356 N N . ASP A 1 182 ? -7.359 15.549 -1.626 1.00 98.12 182 A 1 ATOM 1357 C CA . ASP A 1 182 ? -8.752 15.927 -1.341 1.00 98.11 182 A 1 ATOM 1358 C C . ASP A 1 182 ? -9.208 15.468 0.074 1.00 98.27 182 A 1 ATOM 1359 O O . ASP A 1 182 ? -10.181 15.999 0.605 1.00 97.78 182 A 1 ATOM 1360 C CB . ASP A 1 182 ? -9.677 15.363 -2.450 1.00 97.84 182 A 1 ATOM 1361 C CG . ASP A 1 182 ? -9.478 15.937 -3.883 1.00 96.61 182 A 1 ATOM 1362 O OD1 . ASP A 1 182 ? -8.996 17.076 -4.059 1.00 93.54 182 A 1 ATOM 1363 O OD2 . ASP A 1 182 ? -9.873 15.272 -4.879 1.00 93.54 182 A 1 ATOM 1364 N N . LEU A 1 183 ? -8.506 14.502 0.692 1.00 98.25 183 A 1 ATOM 1365 C CA . LEU A 1 183 ? -8.743 13.983 2.051 1.00 98.31 183 A 1 ATOM 1366 C C . LEU A 1 183 ? -7.709 14.464 3.090 1.00 98.38 183 A 1 ATOM 1367 O O . LEU A 1 183 ? -7.658 13.906 4.190 1.00 97.81 183 A 1 ATOM 1368 C CB . LEU A 1 183 ? -8.788 12.442 2.007 1.00 98.19 183 A 1 ATOM 1369 C CG . LEU A 1 183 ? -10.001 11.839 1.283 1.00 97.53 183 A 1 ATOM 1370 C CD1 . LEU A 1 183 ? -9.832 10.315 1.250 1.00 96.49 183 A 1 ATOM 1371 C CD2 . LEU A 1 183 ? -11.317 12.146 1.994 1.00 96.51 183 A 1 ATOM 1372 N N . ASP A 1 184 ? -6.853 15.436 2.753 1.00 97.92 184 A 1 ATOM 1373 C CA . ASP A 1 184 ? -5.774 15.942 3.616 1.00 97.89 184 A 1 ATOM 1374 C C . ASP A 1 184 ? -4.844 14.841 4.176 1.00 98.22 184 A 1 ATOM 1375 O O . ASP A 1 184 ? -4.424 14.866 5.341 1.00 97.63 184 A 1 ATOM 1376 C CB . ASP A 1 184 ? -6.354 16.865 4.709 1.00 97.34 184 A 1 ATOM 1377 C CG . ASP A 1 184 ? -7.004 18.134 4.162 1.00 94.99 184 A 1 ATOM 1378 O OD1 . ASP A 1 184 ? -6.316 18.856 3.405 1.00 90.83 184 A 1 ATOM 1379 O OD2 . ASP A 1 184 ? -8.143 18.434 4.588 1.00 90.39 184 A 1 ATOM 1380 N N . VAL A 1 185 ? -4.486 13.842 3.351 1.00 98.25 185 A 1 ATOM 1381 C CA . VAL A 1 185 ? -3.570 12.757 3.753 1.00 98.48 185 A 1 ATOM 1382 C C . VAL A 1 185 ? -2.210 13.341 4.166 1.00 98.53 185 A 1 ATOM 1383 O O . VAL A 1 185 ? -1.620 14.117 3.412 1.00 98.28 185 A 1 ATOM 1384 C CB . VAL A 1 185 ? -3.389 11.707 2.639 1.00 98.38 185 A 1 ATOM 1385 C CG1 . VAL A 1 185 ? -2.322 10.649 2.971 1.00 97.68 185 A 1 ATOM 1386 C CG2 . VAL A 1 185 ? -4.694 10.941 2.417 1.00 97.40 185 A 1 ATOM 1387 N N . PRO A 1 186 ? -1.639 12.936 5.326 1.00 98.41 186 A 1 ATOM 1388 C CA . PRO A 1 186 ? -0.355 13.441 5.806 1.00 98.23 186 A 1 ATOM 1389 C C . PRO A 1 186 ? 0.816 12.835 5.016 1.00 98.04 186 A 1 ATOM 1390 O O . PRO A 1 186 ? 1.626 12.073 5.547 1.00 97.40 186 A 1 ATOM 1391 C CB . PRO A 1 186 ? -0.339 13.093 7.299 1.00 98.14 186 A 1 ATOM 1392 C CG . PRO A 1 186 ? -1.078 11.762 7.332 1.00 97.81 186 A 1 ATOM 1393 C CD . PRO A 1 186 ? -2.177 11.979 6.290 1.00 98.36 186 A 1 ATOM 1394 N N . TYR A 1 187 ? 0.928 13.139 3.723 1.00 98.01 187 A 1 ATOM 1395 C CA . TYR A 1 187 ? 1.939 12.565 2.830 1.00 97.72 187 A 1 ATOM 1396 C C . TYR A 1 187 ? 3.384 12.823 3.271 1.00 97.25 187 A 1 ATOM 1397 O O . TYR A 1 187 ? 4.257 12.019 2.951 1.00 96.36 187 A 1 ATOM 1398 C CB . TYR A 1 187 ? 1.703 13.060 1.404 1.00 97.62 187 A 1 ATOM 1399 C CG . TYR A 1 187 ? 0.520 12.424 0.697 1.00 97.86 187 A 1 ATOM 1400 C CD1 . TYR A 1 187 ? 0.345 11.026 0.732 1.00 97.20 187 A 1 ATOM 1401 C CD2 . TYR A 1 187 ? -0.370 13.217 -0.052 1.00 97.22 187 A 1 ATOM 1402 C CE1 . TYR A 1 187 ? -0.697 10.419 0.007 1.00 96.80 187 A 1 ATOM 1403 C CE2 . TYR A 1 187 ? -1.410 12.613 -0.783 1.00 96.72 187 A 1 ATOM 1404 C CZ . TYR A 1 187 ? -1.567 11.211 -0.763 1.00 97.26 187 A 1 ATOM 1405 O OH . TYR A 1 187 ? -2.537 10.615 -1.495 1.00 96.34 187 A 1 ATOM 1406 N N . PHE A 1 188 ? 3.626 13.857 4.077 1.00 96.63 188 A 1 ATOM 1407 C CA . PHE A 1 188 ? 4.920 14.131 4.712 1.00 96.11 188 A 1 ATOM 1408 C C . PHE A 1 188 ? 5.356 13.044 5.716 1.00 95.57 188 A 1 ATOM 1409 O O . PHE A 1 188 ? 6.534 12.956 6.034 1.00 94.82 188 A 1 ATOM 1410 C CB . PHE A 1 188 ? 4.869 15.509 5.382 1.00 96.38 188 A 1 ATOM 1411 C CG . PHE A 1 188 ? 3.919 15.600 6.563 1.00 96.45 188 A 1 ATOM 1412 C CD1 . PHE A 1 188 ? 2.567 15.949 6.375 1.00 95.62 188 A 1 ATOM 1413 C CD2 . PHE A 1 188 ? 4.390 15.332 7.865 1.00 95.78 188 A 1 ATOM 1414 C CE1 . PHE A 1 188 ? 1.694 16.023 7.472 1.00 95.12 188 A 1 ATOM 1415 C CE2 . PHE A 1 188 ? 3.514 15.402 8.963 1.00 95.42 188 A 1 ATOM 1416 C CZ . PHE A 1 188 ? 2.167 15.749 8.767 1.00 95.47 188 A 1 ATOM 1417 N N . LEU A 1 189 ? 4.437 12.198 6.197 1.00 96.69 189 A 1 ATOM 1418 C CA . LEU A 1 189 ? 4.729 11.033 7.047 1.00 96.24 189 A 1 ATOM 1419 C C . LEU A 1 189 ? 4.965 9.748 6.243 1.00 95.41 189 A 1 ATOM 1420 O O . LEU A 1 189 ? 5.321 8.723 6.820 1.00 94.42 189 A 1 ATOM 1421 C CB . LEU A 1 189 ? 3.576 10.811 8.046 1.00 96.69 189 A 1 ATOM 1422 C CG . LEU A 1 189 ? 3.305 11.975 9.012 1.00 96.56 189 A 1 ATOM 1423 C CD1 . LEU A 1 189 ? 2.101 11.637 9.892 1.00 96.01 189 A 1 ATOM 1424 C CD2 . LEU A 1 189 ? 4.505 12.249 9.920 1.00 95.93 189 A 1 ATOM 1425 N N . THR A 1 190 ? 4.728 9.765 4.928 1.00 96.33 190 A 1 ATOM 1426 C CA . THR A 1 190 ? 4.773 8.562 4.090 1.00 95.95 190 A 1 ATOM 1427 C C . THR A 1 190 ? 6.133 8.351 3.440 1.00 94.94 190 A 1 ATOM 1428 O O . THR A 1 190 ? 6.859 9.295 3.140 1.00 93.73 190 A 1 ATOM 1429 C CB . THR A 1 190 ? 3.678 8.543 3.018 1.00 96.19 190 A 1 ATOM 1430 O OG1 . THR A 1 190 ? 3.883 9.532 2.036 1.00 95.27 190 A 1 ATOM 1431 C CG2 . THR A 1 190 ? 2.277 8.720 3.582 1.00 95.04 190 A 1 ATOM 1432 N N . ARG A 1 191 ? 6.455 7.093 3.148 1.00 92.70 191 A 1 ATOM 1433 C CA . ARG A 1 191 ? 7.666 6.707 2.425 1.00 91.90 191 A 1 ATOM 1434 C C . ARG A 1 191 ? 7.316 5.795 1.253 1.00 92.00 191 A 1 ATOM 1435 O O . ARG A 1 191 ? 6.553 4.853 1.411 1.00 89.86 191 A 1 ATOM 1436 C CB . ARG A 1 191 ? 8.628 6.035 3.411 1.00 89.80 191 A 1 ATOM 1437 C CG . ARG A 1 191 ? 9.995 5.765 2.782 1.00 85.54 191 A 1 ATOM 1438 C CD . ARG A 1 191 ? 10.916 5.077 3.783 1.00 82.48 191 A 1 ATOM 1439 N NE . ARG A 1 191 ? 12.257 4.910 3.201 1.00 78.56 191 A 1 ATOM 1440 C CZ . ARG A 1 191 ? 13.272 5.747 3.315 1.00 75.20 191 A 1 ATOM 1441 N NH1 . ARG A 1 191 ? 13.237 6.815 4.053 1.00 69.74 191 A 1 ATOM 1442 N NH2 . ARG A 1 191 ? 14.360 5.511 2.672 1.00 67.63 191 A 1 ATOM 1443 N N . SER A 1 192 ? 7.926 6.059 0.087 1.00 90.90 192 A 1 ATOM 1444 C CA . SER A 1 192 ? 7.879 5.159 -1.075 1.00 89.74 192 A 1 ATOM 1445 C C . SER A 1 192 ? 9.271 4.681 -1.494 1.00 88.54 192 A 1 ATOM 1446 O O . SER A 1 192 ? 9.390 3.751 -2.266 1.00 84.44 192 A 1 ATOM 1447 C CB . SER A 1 192 ? 7.191 5.841 -2.262 1.00 89.44 192 A 1 ATOM 1448 O OG . SER A 1 192 ? 5.879 6.244 -1.907 1.00 85.99 192 A 1 ATOM 1449 N N . CYS A 1 193 ? 10.330 5.306 -1.000 1.00 88.26 193 A 1 ATOM 1450 C CA . CYS A 1 193 ? 11.715 4.988 -1.341 1.00 87.34 193 A 1 ATOM 1451 C C . CYS A 1 193 ? 12.129 3.603 -0.825 1.00 85.96 193 A 1 ATOM 1452 O O . CYS A 1 193 ? 11.899 3.289 0.340 1.00 83.84 193 A 1 ATOM 1453 C CB . CYS A 1 193 ? 12.618 6.073 -0.756 1.00 86.89 193 A 1 ATOM 1454 S SG . CYS A 1 193 ? 14.300 5.887 -1.389 1.00 85.24 193 A 1 ATOM 1455 N N . TYR A 1 194 ? 12.808 2.829 -1.677 1.00 84.10 194 A 1 ATOM 1456 C CA . TYR A 1 194 ? 13.352 1.518 -1.320 1.00 81.96 194 A 1 ATOM 1457 C C . TYR A 1 194 ? 14.707 1.563 -0.600 1.00 81.73 194 A 1 ATOM 1458 O O . TYR A 1 194 ? 15.143 0.551 -0.055 1.00 77.75 194 A 1 ATOM 1459 C CB . TYR A 1 194 ? 13.454 0.680 -2.591 1.00 79.41 194 A 1 ATOM 1460 C CG . TYR A 1 194 ? 12.133 0.312 -3.233 1.00 76.60 194 A 1 ATOM 1461 C CD1 . TYR A 1 194 ? 10.997 0.056 -2.439 1.00 73.47 194 A 1 ATOM 1462 C CD2 . TYR A 1 194 ? 12.059 0.161 -4.629 1.00 72.56 194 A 1 ATOM 1463 C CE1 . TYR A 1 194 ? 9.797 -0.373 -3.028 1.00 70.16 194 A 1 ATOM 1464 C CE2 . TYR A 1 194 ? 10.858 -0.278 -5.222 1.00 70.01 194 A 1 ATOM 1465 C CZ . TYR A 1 194 ? 9.729 -0.559 -4.419 1.00 69.15 194 A 1 ATOM 1466 O OH . TYR A 1 194 ? 8.588 -1.025 -4.964 1.00 65.00 194 A 1 ATOM 1467 N N . GLU A 1 195 ? 15.387 2.709 -0.584 1.00 82.41 195 A 1 ATOM 1468 C CA . GLU A 1 195 ? 16.654 2.878 0.124 1.00 81.45 195 A 1 ATOM 1469 C C . GLU A 1 195 ? 16.443 3.112 1.626 1.00 80.49 195 A 1 ATOM 1470 O O . GLU A 1 195 ? 15.464 3.734 2.027 1.00 75.64 195 A 1 ATOM 1471 C CB . GLU A 1 195 ? 17.458 4.030 -0.492 1.00 80.10 195 A 1 ATOM 1472 C CG . GLU A 1 195 ? 17.928 3.733 -1.922 1.00 76.41 195 A 1 ATOM 1473 C CD . GLU A 1 195 ? 18.798 2.470 -2.011 1.00 76.80 195 A 1 ATOM 1474 O OE1 . GLU A 1 195 ? 18.775 1.832 -3.081 1.00 70.03 195 A 1 ATOM 1475 O OE2 . GLU A 1 195 ? 19.453 2.117 -1.002 1.00 70.70 195 A 1 ATOM 1476 N N . SER A 1 196 ? 17.375 2.653 2.469 1.00 76.68 196 A 1 ATOM 1477 C CA . SER A 1 196 ? 17.281 2.722 3.940 1.00 74.57 196 A 1 ATOM 1478 C C . SER A 1 196 ? 17.594 4.082 4.556 1.00 75.87 196 A 1 ATOM 1479 O O . SER A 1 196 ? 17.423 4.257 5.760 1.00 69.97 196 A 1 ATOM 1480 C CB . SER A 1 196 ? 18.226 1.704 4.574 1.00 68.61 196 A 1 ATOM 1481 O OG . SER A 1 196 ? 19.544 1.851 4.089 1.00 61.34 196 A 1 ATOM 1482 N N . ASP A 1 197 ? 18.106 5.019 3.763 1.00 75.32 197 A 1 ATOM 1483 C CA . ASP A 1 197 ? 18.538 6.319 4.269 1.00 76.88 197 A 1 ATOM 1484 C C . ASP A 1 197 ? 17.374 7.140 4.843 1.00 79.81 197 A 1 ATOM 1485 O O . ASP A 1 197 ? 16.222 6.963 4.449 1.00 77.11 197 A 1 ATOM 1486 C CB . ASP A 1 197 ? 19.211 7.092 3.151 1.00 72.03 197 A 1 ATOM 1487 C CG . ASP A 1 197 ? 20.421 6.370 2.580 1.00 65.43 197 A 1 ATOM 1488 O OD1 . ASP A 1 197 ? 21.484 6.465 3.210 1.00 61.72 197 A 1 ATOM 1489 O OD2 . ASP A 1 197 ? 20.327 5.906 1.426 1.00 60.45 197 A 1 ATOM 1490 N N . ALA A 1 198 ? 17.675 8.082 5.740 1.00 82.06 198 A 1 ATOM 1491 C CA . ALA A 1 198 ? 16.665 8.963 6.335 1.00 82.48 198 A 1 ATOM 1492 C C . ALA A 1 198 ? 15.876 9.745 5.265 1.00 84.54 198 A 1 ATOM 1493 O O . ALA A 1 198 ? 14.654 9.842 5.334 1.00 81.50 198 A 1 ATOM 1494 C CB . ALA A 1 198 ? 17.373 9.903 7.315 1.00 79.25 198 A 1 ATOM 1495 N N . GLU A 1 199 ? 16.576 10.231 4.239 1.00 86.39 199 A 1 ATOM 1496 C CA . GLU A 1 199 ? 15.986 10.909 3.087 1.00 87.56 199 A 1 ATOM 1497 C C . GLU A 1 199 ? 15.713 9.933 1.935 1.00 88.54 199 A 1 ATOM 1498 O O . GLU A 1 199 ? 16.411 8.936 1.736 1.00 86.37 199 A 1 ATOM 1499 C CB . GLU A 1 199 ? 16.892 12.048 2.619 1.00 85.91 199 A 1 ATOM 1500 C CG . GLU A 1 199 ? 17.089 13.113 3.706 1.00 80.61 199 A 1 ATOM 1501 C CD . GLU A 1 199 ? 17.956 14.269 3.206 1.00 78.40 199 A 1 ATOM 1502 O OE1 . GLU A 1 199 ? 17.604 15.419 3.527 1.00 71.78 199 A 1 ATOM 1503 O OE2 . GLU A 1 199 ? 18.963 13.973 2.522 1.00 72.00 199 A 1 ATOM 1504 N N . SER A 1 200 ? 14.687 10.230 1.137 1.00 89.63 200 A 1 ATOM 1505 C CA . SER A 1 200 ? 14.382 9.451 -0.063 1.00 90.79 200 A 1 ATOM 1506 C C . SER A 1 200 ? 15.419 9.708 -1.163 1.00 91.39 200 A 1 ATOM 1507 O O . SER A 1 200 ? 15.800 10.844 -1.414 1.00 89.48 200 A 1 ATOM 1508 C CB . SER A 1 200 ? 12.972 9.764 -0.545 1.00 90.32 200 A 1 ATOM 1509 O OG . SER A 1 200 ? 12.035 9.229 0.377 1.00 87.14 200 A 1 ATOM 1510 N N . CYS A 1 201 ? 15.856 8.653 -1.866 1.00 89.55 201 A 1 ATOM 1511 C CA . CYS A 1 201 ? 16.934 8.772 -2.858 1.00 89.08 201 A 1 ATOM 1512 C C . CYS A 1 201 ? 16.568 9.616 -4.093 1.00 89.65 201 A 1 ATOM 1513 O O . CYS A 1 201 ? 17.443 10.087 -4.802 1.00 88.50 201 A 1 ATOM 1514 C CB . CYS A 1 201 ? 17.397 7.373 -3.280 1.00 87.52 201 A 1 ATOM 1515 S SG . CYS A 1 201 ? 16.150 6.545 -4.322 1.00 85.15 201 A 1 ATOM 1516 N N . GLY A 1 202 ? 15.282 9.761 -4.387 1.00 89.00 202 A 1 ATOM 1517 C CA . GLY A 1 202 ? 14.804 10.530 -5.533 1.00 89.33 202 A 1 ATOM 1518 C C . GLY A 1 202 ? 14.988 9.881 -6.908 1.00 90.28 202 A 1 ATOM 1519 O O . GLY A 1 202 ? 14.458 10.427 -7.878 1.00 88.22 202 A 1 ATOM 1520 N N . THR A 1 203 ? 15.688 8.751 -7.000 1.00 89.22 203 A 1 ATOM 1521 C CA . THR A 1 203 ? 16.148 8.127 -8.256 1.00 88.67 203 A 1 ATOM 1522 C C . THR A 1 203 ? 15.733 6.667 -8.445 1.00 88.23 203 A 1 ATOM 1523 O O . THR A 1 203 ? 15.925 6.138 -9.536 1.00 85.54 203 A 1 ATOM 1524 C CB . THR A 1 203 ? 17.674 8.222 -8.381 1.00 87.67 203 A 1 ATOM 1525 O OG1 . THR A 1 203 ? 18.291 7.617 -7.266 1.00 84.37 203 A 1 ATOM 1526 C CG2 . THR A 1 203 ? 18.179 9.665 -8.436 1.00 82.39 203 A 1 ATOM 1527 N N . CYS A 1 204 ? 15.169 5.985 -7.433 1.00 84.36 204 A 1 ATOM 1528 C CA . CYS A 1 204 ? 14.551 4.673 -7.643 1.00 83.41 204 A 1 ATOM 1529 C C . CYS A 1 204 ? 13.175 4.817 -8.315 1.00 84.30 204 A 1 ATOM 1530 O O . CYS A 1 204 ? 12.551 5.879 -8.228 1.00 84.11 204 A 1 ATOM 1531 C CB . CYS A 1 204 ? 14.495 3.880 -6.328 1.00 81.89 204 A 1 ATOM 1532 S SG . CYS A 1 204 ? 13.312 4.586 -5.139 1.00 80.10 204 A 1 ATOM 1533 N N . ALA A 1 205 ? 12.669 3.738 -8.936 1.00 83.58 205 A 1 ATOM 1534 C CA . ALA A 1 205 ? 11.404 3.749 -9.678 1.00 83.04 205 A 1 ATOM 1535 C C . ALA A 1 205 ? 10.238 4.339 -8.865 1.00 84.73 205 A 1 ATOM 1536 O O . ALA A 1 205 ? 9.551 5.247 -9.327 1.00 84.16 205 A 1 ATOM 1537 C CB . ALA A 1 205 ? 11.101 2.314 -10.129 1.00 80.85 205 A 1 ATOM 1538 N N . THR A 1 206 ? 10.073 3.917 -7.603 1.00 87.05 206 A 1 ATOM 1539 C CA . THR A 1 206 ? 9.035 4.431 -6.697 1.00 87.27 206 A 1 ATOM 1540 C C . THR A 1 206 ? 9.170 5.920 -6.388 1.00 88.82 206 A 1 ATOM 1541 O O . THR A 1 206 ? 8.157 6.608 -6.273 1.00 87.99 206 A 1 ATOM 1542 C CB . THR A 1 206 ? 9.052 3.687 -5.356 1.00 85.16 206 A 1 ATOM 1543 O OG1 . THR A 1 206 ? 10.374 3.548 -4.885 1.00 75.15 206 A 1 ATOM 1544 C CG2 . THR A 1 206 ? 8.461 2.300 -5.483 1.00 74.20 206 A 1 ATOM 1545 N N . CYS A 1 207 ? 10.396 6.451 -6.250 1.00 88.82 207 A 1 ATOM 1546 C CA . CYS A 1 207 ? 10.613 7.884 -6.063 1.00 89.49 207 A 1 ATOM 1547 C C . CYS A 1 207 ? 10.264 8.681 -7.322 1.00 90.53 207 A 1 ATOM 1548 O O . CYS A 1 207 ? 9.674 9.752 -7.206 1.00 90.47 207 A 1 ATOM 1549 C CB . CYS A 1 207 ? 12.073 8.154 -5.673 1.00 89.03 207 A 1 ATOM 1550 S SG . CYS A 1 207 ? 12.375 7.738 -3.938 1.00 87.51 207 A 1 ATOM 1551 N N . ILE A 1 208 ? 10.640 8.165 -8.502 1.00 89.36 208 A 1 ATOM 1552 C CA . ILE A 1 208 ? 10.347 8.800 -9.794 1.00 89.41 208 A 1 ATOM 1553 C C . ILE A 1 208 ? 8.831 8.891 -10.001 1.00 90.82 208 A 1 ATOM 1554 O O . ILE A 1 208 ? 8.306 9.982 -10.216 1.00 90.98 208 A 1 ATOM 1555 C CB . ILE A 1 208 ? 11.059 8.044 -10.943 1.00 88.25 208 A 1 ATOM 1556 C CG1 . ILE A 1 208 ? 12.593 8.202 -10.814 1.00 85.21 208 A 1 ATOM 1557 C CG2 . ILE A 1 208 ? 10.586 8.548 -12.317 1.00 85.06 208 A 1 ATOM 1558 C CD1 . ILE A 1 208 ? 13.397 7.238 -11.699 1.00 80.33 208 A 1 ATOM 1559 N N . ASP A 1 209 ? 8.119 7.774 -9.848 1.00 89.54 209 A 1 ATOM 1560 C CA . ASP A 1 209 ? 6.669 7.708 -10.062 1.00 89.65 209 A 1 ATOM 1561 C C . ASP A 1 209 ? 5.904 8.544 -9.025 1.00 91.69 209 A 1 ATOM 1562 O O . ASP A 1 209 ? 4.949 9.248 -9.364 1.00 91.82 209 A 1 ATOM 1563 C CB . ASP A 1 209 ? 6.209 6.243 -10.036 1.00 87.45 209 A 1 ATOM 1564 C CG . ASP A 1 209 ? 6.762 5.397 -11.195 1.00 81.87 209 A 1 ATOM 1565 O OD1 . ASP A 1 209 ? 7.213 5.977 -12.212 1.00 77.16 209 A 1 ATOM 1566 O OD2 . ASP A 1 209 ? 6.751 4.156 -11.047 1.00 75.04 209 A 1 ATOM 1567 N N . ARG A 1 210 ? 6.366 8.551 -7.764 1.00 92.39 210 A 1 ATOM 1568 C CA . ARG A 1 210 ? 5.800 9.401 -6.711 1.00 93.46 210 A 1 ATOM 1569 C C . ARG A 1 210 ? 5.941 10.890 -7.045 1.00 94.55 210 A 1 ATOM 1570 O O . ARG A 1 210 ? 4.941 11.605 -7.021 1.00 94.74 210 A 1 ATOM 1571 C CB . ARG A 1 210 ? 6.444 9.030 -5.371 1.00 93.35 210 A 1 ATOM 1572 C CG . ARG A 1 210 ? 5.987 9.960 -4.240 1.00 92.79 210 A 1 ATOM 1573 C CD . ARG A 1 210 ? 6.542 9.516 -2.889 1.00 92.43 210 A 1 ATOM 1574 N NE . ARG A 1 210 ? 6.205 10.508 -1.872 1.00 90.77 210 A 1 ATOM 1575 C CZ . ARG A 1 210 ? 5.781 10.330 -0.635 1.00 92.49 210 A 1 ATOM 1576 N NH1 . ARG A 1 210 ? 5.704 9.163 -0.070 1.00 88.06 210 A 1 ATOM 1577 N NH2 . ARG A 1 210 ? 5.414 11.366 0.054 1.00 87.13 210 A 1 ATOM 1578 N N . LYS A 1 211 ? 7.148 11.359 -7.376 1.00 94.04 211 A 1 ATOM 1579 C CA . LYS A 1 211 ? 7.385 12.769 -7.754 1.00 94.47 211 A 1 ATOM 1580 C C . LYS A 1 211 ? 6.483 13.192 -8.906 1.00 95.38 211 A 1 ATOM 1581 O O . LYS A 1 211 ? 5.808 14.213 -8.804 1.00 95.50 211 A 1 ATOM 1582 C CB . LYS A 1 211 ? 8.851 12.983 -8.154 1.00 93.79 211 A 1 ATOM 1583 C CG . LYS A 1 211 ? 9.794 13.060 -6.953 1.00 90.61 211 A 1 ATOM 1584 C CD . LYS A 1 211 ? 11.240 13.193 -7.456 1.00 89.17 211 A 1 ATOM 1585 C CE . LYS A 1 211 ? 12.205 13.336 -6.285 1.00 82.69 211 A 1 ATOM 1586 N NZ . LYS A 1 211 ? 13.608 13.478 -6.741 1.00 77.66 211 A 1 ATOM 1587 N N . LYS A 1 212 ? 6.426 12.361 -9.957 1.00 93.79 212 A 1 ATOM 1588 C CA . LYS A 1 212 ? 5.586 12.596 -11.129 1.00 93.65 212 A 1 ATOM 1589 C C . LYS A 1 212 ? 4.104 12.707 -10.759 1.00 94.81 212 A 1 ATOM 1590 O O . LYS A 1 212 ? 3.428 13.611 -11.225 1.00 94.91 212 A 1 ATOM 1591 C CB . LYS A 1 212 ? 5.846 11.470 -12.134 1.00 92.63 212 A 1 ATOM 1592 C CG . LYS A 1 212 ? 5.090 11.709 -13.437 1.00 86.48 212 A 1 ATOM 1593 C CD . LYS A 1 212 ? 5.340 10.560 -14.412 1.00 81.84 212 A 1 ATOM 1594 C CE . LYS A 1 212 ? 4.459 10.787 -15.632 1.00 73.43 212 A 1 ATOM 1595 N NZ . LYS A 1 212 ? 4.464 9.611 -16.525 1.00 65.28 212 A 1 ATOM 1596 N N . ALA A 1 213 ? 3.603 11.844 -9.877 1.00 94.49 213 A 1 ATOM 1597 C CA . ALA A 1 213 ? 2.204 11.878 -9.449 1.00 95.10 213 A 1 ATOM 1598 C C . ALA A 1 213 ? 1.839 13.167 -8.690 1.00 96.19 213 A 1 ATOM 1599 O O . ALA A 1 213 ? 0.735 13.683 -8.858 1.00 96.49 213 A 1 ATOM 1600 C CB . ALA A 1 213 ? 1.931 10.633 -8.606 1.00 94.87 213 A 1 ATOM 1601 N N . PHE A 1 214 ? 2.744 13.707 -7.869 1.00 96.64 214 A 1 ATOM 1602 C CA . PHE A 1 214 ? 2.545 15.015 -7.228 1.00 97.17 214 A 1 ATOM 1603 C C . PHE A 1 214 ? 2.611 16.169 -8.237 1.00 97.48 214 A 1 ATOM 1604 O O . PHE A 1 214 ? 1.755 17.052 -8.208 1.00 97.33 214 A 1 ATOM 1605 C CB . PHE A 1 214 ? 3.551 15.211 -6.085 1.00 97.31 214 A 1 ATOM 1606 C CG . PHE A 1 214 ? 3.127 14.554 -4.786 1.00 97.41 214 A 1 ATOM 1607 C CD1 . PHE A 1 214 ? 2.209 15.202 -3.943 1.00 96.56 214 A 1 ATOM 1608 C CD2 . PHE A 1 214 ? 3.630 13.295 -4.423 1.00 96.64 214 A 1 ATOM 1609 C CE1 . PHE A 1 214 ? 1.793 14.589 -2.749 1.00 96.35 214 A 1 ATOM 1610 C CE2 . PHE A 1 214 ? 3.214 12.678 -3.232 1.00 96.27 214 A 1 ATOM 1611 C CZ . PHE A 1 214 ? 2.292 13.325 -2.395 1.00 96.67 214 A 1 ATOM 1612 N N . GLU A 1 215 ? 3.573 16.122 -9.165 1.00 96.68 215 A 1 ATOM 1613 C CA . GLU A 1 215 ? 3.718 17.121 -10.232 1.00 96.73 215 A 1 ATOM 1614 C C . GLU A 1 215 ? 2.473 17.193 -11.128 1.00 97.21 215 A 1 ATOM 1615 O O . GLU A 1 215 ? 1.971 18.285 -11.399 1.00 96.78 215 A 1 ATOM 1616 C CB . GLU A 1 215 ? 4.981 16.794 -11.043 1.00 95.82 215 A 1 ATOM 1617 C CG . GLU A 1 215 ? 5.286 17.843 -12.122 1.00 85.64 215 A 1 ATOM 1618 C CD . GLU A 1 215 ? 6.569 17.543 -12.919 1.00 85.05 215 A 1 ATOM 1619 O OE1 . GLU A 1 215 ? 6.997 18.450 -13.667 1.00 76.81 215 A 1 ATOM 1620 O OE2 . GLU A 1 215 ? 7.120 16.424 -12.791 1.00 78.57 215 A 1 ATOM 1621 N N . GLU A 1 216 ? 1.900 16.044 -11.523 1.00 96.94 216 A 1 ATOM 1622 C CA . GLU A 1 216 ? 0.651 15.962 -12.294 1.00 96.92 216 A 1 ATOM 1623 C C . GLU A 1 216 ? -0.553 16.575 -11.558 1.00 97.32 216 A 1 ATOM 1624 O O . GLU A 1 216 ? -1.520 16.997 -12.192 1.00 96.73 216 A 1 ATOM 1625 C CB . GLU A 1 216 ? 0.353 14.494 -12.651 1.00 96.15 216 A 1 ATOM 1626 C CG . GLU A 1 216 ? 1.249 13.959 -13.783 1.00 92.55 216 A 1 ATOM 1627 C CD . GLU A 1 216 ? 0.959 12.493 -14.165 1.00 90.07 216 A 1 ATOM 1628 O OE1 . GLU A 1 216 ? 1.799 11.895 -14.881 1.00 82.09 216 A 1 ATOM 1629 O OE2 . GLU A 1 216 ? -0.111 11.966 -13.796 1.00 81.75 216 A 1 ATOM 1630 N N . ASN A 1 217 ? -0.484 16.676 -10.229 1.00 97.56 217 A 1 ATOM 1631 C CA . ASN A 1 217 ? -1.471 17.363 -9.396 1.00 97.58 217 A 1 ATOM 1632 C C . ASN A 1 217 ? -1.098 18.829 -9.089 1.00 97.71 217 A 1 ATOM 1633 O O . ASN A 1 217 ? -1.762 19.476 -8.279 1.00 96.37 217 A 1 ATOM 1634 C CB . ASN A 1 217 ? -1.735 16.517 -8.140 1.00 97.43 217 A 1 ATOM 1635 C CG . ASN A 1 217 ? -2.588 15.309 -8.464 1.00 97.36 217 A 1 ATOM 1636 O OD1 . ASN A 1 217 ? -3.790 15.416 -8.640 1.00 91.49 217 A 1 ATOM 1637 N ND2 . ASN A 1 217 ? -2.008 14.146 -8.572 1.00 91.92 217 A 1 ATOM 1638 N N . GLY A 1 218 ? -0.050 19.361 -9.714 1.00 96.93 218 A 1 ATOM 1639 C CA . GLY A 1 218 ? 0.410 20.738 -9.504 1.00 96.72 218 A 1 ATOM 1640 C C . GLY A 1 218 ? 1.023 20.983 -8.125 1.00 96.69 218 A 1 ATOM 1641 O O . GLY A 1 218 ? 1.050 22.126 -7.664 1.00 94.47 218 A 1 ATOM 1642 N N . MET A 1 219 ? 1.500 19.927 -7.447 1.00 96.92 219 A 1 ATOM 1643 C CA . MET A 1 219 ? 2.073 19.992 -6.103 1.00 96.21 219 A 1 ATOM 1644 C C . MET A 1 219 ? 3.523 19.511 -6.072 1.00 96.55 219 A 1 ATOM 1645 O O . MET A 1 219 ? 3.939 18.638 -6.826 1.00 94.92 219 A 1 ATOM 1646 C CB . MET A 1 219 ? 1.221 19.186 -5.113 1.00 94.28 219 A 1 ATOM 1647 C CG . MET A 1 219 ? -0.142 19.839 -4.880 1.00 85.68 219 A 1 ATOM 1648 S SD . MET A 1 219 ? -1.115 19.136 -3.527 1.00 81.96 219 A 1 ATOM 1649 C CE . MET A 1 219 ? -0.129 19.538 -2.073 1.00 70.90 219 A 1 ATOM 1650 N N . THR A 1 220 ? 4.291 20.049 -5.123 1.00 95.58 220 A 1 ATOM 1651 C CA . THR A 1 220 ? 5.590 19.482 -4.748 1.00 95.29 220 A 1 ATOM 1652 C C . THR A 1 220 ? 5.369 18.394 -3.702 1.00 96.01 220 A 1 ATOM 1653 O O . THR A 1 220 ? 4.613 18.598 -2.752 1.00 94.96 220 A 1 ATOM 1654 C CB . THR A 1 220 ? 6.531 20.569 -4.217 1.00 93.46 220 A 1 ATOM 1655 O OG1 . THR A 1 220 ? 6.660 21.591 -5.176 1.00 86.38 220 A 1 ATOM 1656 C CG2 . THR A 1 220 ? 7.939 20.048 -3.937 1.00 84.80 220 A 1 ATOM 1657 N N . ASP A 1 221 ? 6.024 17.242 -3.861 1.00 95.96 221 A 1 ATOM 1658 C CA . ASP A 1 221 ? 5.988 16.158 -2.872 1.00 96.13 221 A 1 ATOM 1659 C C . ASP A 1 221 ? 6.505 16.663 -1.507 1.00 96.30 221 A 1 ATOM 1660 O O . ASP A 1 221 ? 7.607 17.215 -1.451 1.00 95.13 221 A 1 ATOM 1661 C CB . ASP A 1 221 ? 6.814 14.979 -3.399 1.00 95.25 221 A 1 ATOM 1662 C CG . ASP A 1 221 ? 6.735 13.713 -2.536 1.00 94.87 221 A 1 ATOM 1663 O OD1 . ASP A 1 221 ? 6.254 13.740 -1.381 1.00 92.10 221 A 1 ATOM 1664 O OD2 . ASP A 1 221 ? 7.148 12.646 -3.027 1.00 91.61 221 A 1 ATOM 1665 N N . PRO A 1 222 ? 5.752 16.498 -0.406 1.00 96.60 222 A 1 ATOM 1666 C CA . PRO A 1 222 ? 6.087 17.080 0.894 1.00 96.21 222 A 1 ATOM 1667 C C . PRO A 1 222 ? 7.190 16.341 1.675 1.00 95.76 222 A 1 ATOM 1668 O O . PRO A 1 222 ? 7.446 16.686 2.827 1.00 93.46 222 A 1 ATOM 1669 C CB . PRO A 1 222 ? 4.755 17.105 1.654 1.00 95.91 222 A 1 ATOM 1670 C CG . PRO A 1 222 ? 4.031 15.874 1.121 1.00 95.42 222 A 1 ATOM 1671 C CD . PRO A 1 222 ? 4.422 15.883 -0.352 1.00 96.83 222 A 1 ATOM 1672 N N . ILE A 1 223 ? 7.842 15.309 1.110 1.00 95.24 223 A 1 ATOM 1673 C CA . ILE A 1 223 ? 8.969 14.613 1.753 1.00 94.30 223 A 1 ATOM 1674 C C . ILE A 1 223 ? 10.324 15.182 1.312 1.00 94.09 223 A 1 ATOM 1675 O O . ILE A 1 223 ? 10.459 15.773 0.244 1.00 92.56 223 A 1 ATOM 1676 C CB . ILE A 1 223 ? 8.914 13.079 1.570 1.00 93.35 223 A 1 ATOM 1677 C CG1 . ILE A 1 223 ? 9.253 12.646 0.130 1.00 89.76 223 A 1 ATOM 1678 C CG2 . ILE A 1 223 ? 7.572 12.523 2.065 1.00 87.93 223 A 1 ATOM 1679 C CD1 . ILE A 1 223 ? 9.355 11.141 -0.066 1.00 88.00 223 A 1 ATOM 1680 N N . HIS A 1 224 ? 11.359 14.919 2.121 1.00 93.17 224 A 1 ATOM 1681 C CA . HIS A 1 224 ? 12.737 15.265 1.779 1.00 92.24 224 A 1 ATOM 1682 C C . HIS A 1 224 ? 13.368 14.224 0.845 1.00 92.68 224 A 1 ATOM 1683 O O . HIS A 1 224 ? 13.245 13.011 1.040 1.00 90.81 224 A 1 ATOM 1684 C CB . HIS A 1 224 ? 13.554 15.477 3.057 1.00 90.09 224 A 1 ATOM 1685 C CG . HIS A 1 224 ? 13.058 16.658 3.855 1.00 83.40 224 A 1 ATOM 1686 N ND1 . HIS A 1 224 ? 13.215 17.982 3.527 1.00 71.19 224 A 1 ATOM 1687 C CD2 . HIS A 1 224 ? 12.322 16.619 5.015 1.00 70.38 224 A 1 ATOM 1688 C CE1 . HIS A 1 224 ? 12.595 18.721 4.464 1.00 68.08 224 A 1 ATOM 1689 N NE2 . HIS A 1 224 ? 12.032 17.933 5.392 1.00 70.69 224 A 1 ATOM 1690 N N . TYR A 1 225 ? 14.069 14.718 -0.174 1.00 91.66 225 A 1 ATOM 1691 C CA . TYR A 1 225 ? 14.899 13.936 -1.086 1.00 91.59 225 A 1 ATOM 1692 C C . TYR A 1 225 ? 16.367 14.314 -0.899 1.00 91.24 225 A 1 ATOM 1693 O O . TYR A 1 225 ? 16.664 15.474 -0.631 1.00 88.35 225 A 1 ATOM 1694 C CB . TYR A 1 225 ? 14.450 14.171 -2.531 1.00 91.28 225 A 1 ATOM 1695 C CG . TYR A 1 225 ? 13.091 13.576 -2.842 1.00 92.13 225 A 1 ATOM 1696 C CD1 . TYR A 1 225 ? 12.993 12.212 -3.174 1.00 90.67 225 A 1 ATOM 1697 C CD2 . TYR A 1 225 ? 11.925 14.366 -2.779 1.00 91.46 225 A 1 ATOM 1698 C CE1 . TYR A 1 225 ? 11.740 11.637 -3.457 1.00 90.72 225 A 1 ATOM 1699 C CE2 . TYR A 1 225 ? 10.668 13.791 -3.062 1.00 91.31 225 A 1 ATOM 1700 C CZ . TYR A 1 225 ? 10.577 12.425 -3.406 1.00 91.83 225 A 1 ATOM 1701 O OH . TYR A 1 225 ? 9.376 11.858 -3.698 1.00 90.66 225 A 1 ATOM 1702 N N . LYS A 1 226 ? 17.274 13.347 -1.074 1.00 89.91 226 A 1 ATOM 1703 C CA . LYS A 1 226 ? 18.716 13.617 -1.078 1.00 89.08 226 A 1 ATOM 1704 C C . LYS A 1 226 ? 19.049 14.676 -2.129 1.00 88.47 226 A 1 ATOM 1705 O O . LYS A 1 226 ? 18.561 14.600 -3.262 1.00 84.04 226 A 1 ATOM 1706 C CB . LYS A 1 226 ? 19.519 12.338 -1.352 1.00 87.04 226 A 1 ATOM 1707 C CG . LYS A 1 226 ? 19.497 11.369 -0.168 1.00 80.22 226 A 1 ATOM 1708 C CD . LYS A 1 226 ? 20.422 10.179 -0.443 1.00 78.78 226 A 1 ATOM 1709 C CE . LYS A 1 226 ? 20.466 9.256 0.771 1.00 72.51 226 A 1 ATOM 1710 N NZ . LYS A 1 226 ? 21.438 8.156 0.584 1.00 65.73 226 A 1 ATOM 1711 N N . GLU A 1 227 ? 19.887 15.629 -1.750 1.00 85.72 227 A 1 ATOM 1712 C CA . GLU A 1 227 ? 20.514 16.540 -2.710 1.00 83.09 227 A 1 ATOM 1713 C C . GLU A 1 227 ? 21.488 15.740 -3.596 1.00 80.06 227 A 1 ATOM 1714 O O . GLU A 1 227 ? 22.215 14.871 -3.105 1.00 71.93 227 A 1 ATOM 1715 C CB . GLU A 1 227 ? 21.187 17.724 -1.992 1.00 79.48 227 A 1 ATOM 1716 C CG . GLU A 1 227 ? 20.163 18.615 -1.249 1.00 71.42 227 A 1 ATOM 1717 C CD . GLU A 1 227 ? 20.752 19.914 -0.660 1.00 65.02 227 A 1 ATOM 1718 O OE1 . GLU A 1 227 ? 19.947 20.792 -0.273 1.00 60.57 227 A 1 ATOM 1719 O OE2 . GLU A 1 227 ? 21.996 20.057 -0.620 1.00 62.03 227 A 1 ATOM 1720 N N . ASN A 1 228 ? 21.411 15.960 -4.913 1.00 82.94 228 A 1 ATOM 1721 C CA . ASN A 1 228 ? 22.299 15.318 -5.896 1.00 76.99 228 A 1 ATOM 1722 C C . ASN A 1 228 ? 23.688 15.953 -5.910 1.00 70.96 228 A 1 ATOM 1723 O O . ASN A 1 228 ? 23.761 17.193 -5.807 1.00 63.32 228 A 1 ATOM 1724 C CB . ASN A 1 228 ? 21.684 15.397 -7.302 1.00 69.46 228 A 1 ATOM 1725 C CG . ASN A 1 228 ? 20.540 14.452 -7.586 1.00 61.75 228 A 1 ATOM 1726 O OD1 . ASN A 1 228 ? 20.419 13.333 -7.106 1.00 57.40 228 A 1 ATOM 1727 N ND2 . ASN A 1 228 ? 19.648 14.838 -8.474 1.00 55.60 228 A 1 ATOM 1728 O OXT . ASN A 1 228 ? 24.637 15.154 -6.080 1.00 52.52 228 A 1 #