# 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_orf72 # _entry.id orf72 # 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 SER 2 1 n LYS 3 1 n VAL 4 1 n THR 5 1 n HIS 6 1 n ARG 7 1 n GLU 8 1 n GLN 9 1 n ASP 10 1 n LYS 11 1 n MET 12 1 n ARG 13 1 n TYR 14 1 n THR 15 1 n MET 16 1 n LYS 17 1 n THR 18 1 n ASN 19 1 n ALA 20 1 n ARG 21 1 n ARG 22 1 n ALA 23 1 n LEU 24 1 n LYS 25 1 n THR 26 1 n ARG 27 1 n TRP 28 1 n GLY 29 1 n GLN 30 1 n VAL 31 1 n ALA 32 1 n ARG 33 1 n ASP 34 1 n ALA 35 1 n HIS 36 1 n GLU 37 1 n GLN 38 1 n LEU 39 1 n ILE 40 1 n HIS 41 1 n GLN 42 1 n ASP 43 1 n GLU 44 1 n ILE 45 1 n GLY 46 1 n PHE 47 1 n TYR 48 1 n ILE 49 1 n VAL 50 1 n GLU 51 1 n LYS 52 1 n GLU 53 1 n VAL 54 1 n LEU 55 1 n GLN 56 1 n VAL 57 1 n LEU 58 1 n ARG 59 1 n ASP 60 1 n HIS 61 1 n LYS 62 1 n LYS 63 1 n ALA 64 1 n GLN 65 1 n GLN 66 1 n PRO 67 1 n GLU 68 1 n GLN 69 1 n LYS 70 1 n VAL 71 1 n PRO 72 1 n ALA 73 1 n PRO 74 1 n THR 75 1 n ALA 76 1 n ALA 77 1 n PRO 78 1 n ALA 79 1 n SER 80 1 n SER 81 1 n VAL 82 1 n SER 83 1 n VAL 84 1 n LEU 85 1 n ARG 86 1 n PRO 87 1 n MET 88 1 n VAL 89 1 n ASN 90 1 n PRO 91 1 n GLU 92 1 n ILE 93 1 n VAL 94 1 n LYS 95 1 n SER 96 1 n CYS 97 1 n LEU 98 1 n GLU 99 1 n ALA 100 1 n LEU 101 1 n GLU 102 1 n GLN 103 1 n GLU 104 1 n GLU 105 1 n GLU 106 1 n LYS 107 1 n ASP 108 1 n MET 109 1 n LYS 110 1 n HIS 111 1 n ALA 112 1 n LYS 113 1 n ALA 114 1 n ALA 115 1 n THR 116 1 n GLN 117 1 n VAL 118 1 n SER 119 1 n GLU 120 1 n ILE 121 1 n LYS 122 1 n ILE 123 1 n GLU 124 1 n GLU 125 1 n PRO 126 1 n LYS 127 1 n ALA 128 1 n ALA 129 1 n ALA 130 1 n PRO 131 1 n LYS 132 1 n GLN 133 1 n ASP 134 1 n VAL 135 1 n LYS 136 1 n THR 137 1 n ALA 138 1 n ARG 139 1 n CYS 140 1 n ASP 141 1 n PHE 142 1 n LYS 143 1 n ASN 144 1 n GLY 145 1 n ALA 146 1 n ARG 147 1 n LYS 148 1 n PRO 149 1 n LEU 150 1 n LYS 151 1 n GLY 152 1 n LYS 153 1 n THR 154 1 n ALA 155 1 n GLU 156 1 n VAL 157 1 n TRP 158 1 n ALA 159 1 n MET 160 1 n GLY 161 1 n ASP 162 1 n LYS 163 1 n LEU 164 1 n LEU 165 1 n LYS 166 1 n GLU 167 1 n LEU 168 1 n GLY 169 1 n ARG 170 1 n THR 171 1 n PRO 172 1 n GLU 173 1 n LEU 174 1 n LYS 175 1 n GLU 176 1 n MET 177 1 n LYS 178 1 n ALA 179 1 n ALA 180 1 n MET 181 1 n PRO 182 1 n SER 183 1 n TYR 184 1 n ASN 185 1 n GLY 186 1 n THR 187 1 n THR 188 1 n VAL 189 1 n ALA 190 1 n ILE 191 1 n GLN 192 1 n PHE 193 1 n TYR 194 1 n ALA 195 1 n TRP 196 1 n ARG 197 1 n LYS 198 1 n TYR 199 1 n ASN 200 1 n GLY 201 1 n LEU 202 1 n ASP 203 1 n ALA 204 # _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 01:30:47)" _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 71.63 _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 39.23 1 1 A SER 2 2 48.95 1 2 A LYS 3 2 53.84 1 3 A VAL 4 2 57.92 1 4 A THR 5 2 63.63 1 5 A HIS 6 2 64.36 1 6 A ARG 7 2 67.23 1 7 A GLU 8 2 75.43 1 8 A GLN 9 2 74.21 1 9 A ASP 10 2 82.34 1 10 A LYS 11 2 87.00 1 11 A MET 12 2 85.82 1 12 A ARG 13 2 84.84 1 13 A TYR 14 2 89.34 1 14 A THR 15 2 87.11 1 15 A MET 16 2 85.15 1 16 A LYS 17 2 90.93 1 17 A THR 18 2 90.38 1 18 A ASN 19 2 86.87 1 19 A ALA 20 2 93.29 1 20 A ARG 21 2 82.78 1 21 A ARG 22 2 78.22 1 22 A ALA 23 2 92.92 1 23 A LEU 24 2 90.03 1 24 A LYS 25 2 87.26 1 25 A THR 26 2 88.58 1 26 A ARG 27 2 81.73 1 27 A TRP 28 2 90.28 1 28 A GLY 29 2 92.49 1 29 A GLN 30 2 88.60 1 30 A VAL 31 2 92.07 1 31 A ALA 32 2 91.66 1 32 A ARG 33 2 82.45 1 33 A ASP 34 2 87.98 1 34 A ALA 35 2 92.75 1 35 A HIS 36 2 90.23 1 36 A GLU 37 2 84.04 1 37 A GLN 38 2 85.15 1 38 A LEU 39 2 90.15 1 39 A ILE 40 2 91.70 1 40 A HIS 41 2 88.16 1 41 A GLN 42 2 85.43 1 42 A ASP 43 2 85.70 1 43 A GLU 44 2 81.13 1 44 A ILE 45 2 85.81 1 45 A GLY 46 2 90.67 1 46 A PHE 47 2 90.26 1 47 A TYR 48 2 89.40 1 48 A ILE 49 2 90.09 1 49 A VAL 50 2 90.49 1 50 A GLU 51 2 84.77 1 51 A LYS 52 2 83.41 1 52 A GLU 53 2 86.30 1 53 A VAL 54 2 90.33 1 54 A LEU 55 2 88.59 1 55 A GLN 56 2 87.19 1 56 A VAL 57 2 90.45 1 57 A LEU 58 2 89.03 1 58 A ARG 59 2 80.40 1 59 A ASP 60 2 88.57 1 60 A HIS 61 2 82.22 1 61 A LYS 62 2 79.66 1 62 A LYS 63 2 80.08 1 63 A ALA 64 2 89.06 1 64 A GLN 65 2 75.84 1 65 A GLN 66 2 67.40 1 66 A PRO 67 2 68.41 1 67 A GLU 68 2 52.70 1 68 A GLN 69 2 46.43 1 69 A LYS 70 2 44.63 1 70 A VAL 71 2 40.58 1 71 A PRO 72 2 44.98 1 72 A ALA 73 2 40.98 1 73 A PRO 74 2 39.57 1 74 A THR 75 2 39.24 1 75 A ALA 76 2 35.96 1 76 A ALA 77 2 35.66 1 77 A PRO 78 2 36.72 1 78 A ALA 79 2 33.38 1 79 A SER 80 2 33.91 1 80 A SER 81 2 34.50 1 81 A VAL 82 2 35.73 1 82 A SER 83 2 38.36 1 83 A VAL 84 2 38.60 1 84 A LEU 85 2 47.13 1 85 A ARG 86 2 43.40 1 86 A PRO 87 2 50.70 1 87 A MET 88 2 51.49 1 88 A VAL 89 2 53.16 1 89 A ASN 90 2 58.03 1 90 A PRO 91 2 64.19 1 91 A GLU 92 2 64.40 1 92 A ILE 93 2 64.00 1 93 A VAL 94 2 58.62 1 94 A LYS 95 2 61.36 1 95 A SER 96 2 71.69 1 96 A CYS 97 2 51.76 1 97 A LEU 98 2 53.09 1 98 A GLU 99 2 61.17 1 99 A ALA 100 2 62.68 1 100 A LEU 101 2 45.69 1 101 A GLU 102 2 55.11 1 102 A GLN 103 2 55.27 1 103 A GLU 104 2 46.50 1 104 A GLU 105 2 43.59 1 105 A GLU 106 2 50.94 1 106 A LYS 107 2 50.41 1 107 A ASP 108 2 44.38 1 108 A MET 109 2 46.04 1 109 A LYS 110 2 42.80 1 110 A HIS 111 2 37.88 1 111 A ALA 112 2 46.29 1 112 A LYS 113 2 36.10 1 113 A ALA 114 2 36.11 1 114 A ALA 115 2 36.32 1 115 A THR 116 2 30.85 1 116 A GLN 117 2 25.69 1 117 A VAL 118 2 23.14 1 118 A SER 119 2 28.06 1 119 A GLU 120 2 27.37 1 120 A ILE 121 2 24.89 1 121 A LYS 122 2 26.94 1 122 A ILE 123 2 26.34 1 123 A GLU 124 2 28.57 1 124 A GLU 125 2 29.23 1 125 A PRO 126 2 28.46 1 126 A LYS 127 2 29.34 1 127 A ALA 128 2 32.17 1 128 A ALA 129 2 31.81 1 129 A ALA 130 2 30.47 1 130 A PRO 131 2 33.92 1 131 A LYS 132 2 31.41 1 132 A GLN 133 2 30.86 1 133 A ASP 134 2 35.02 1 134 A VAL 135 2 34.84 1 135 A LYS 136 2 37.30 1 136 A THR 137 2 51.68 1 137 A ALA 138 2 59.39 1 138 A ARG 139 2 60.42 1 139 A CYS 140 2 77.92 1 140 A ASP 141 2 83.68 1 141 A PHE 142 2 84.93 1 142 A LYS 143 2 86.28 1 143 A ASN 144 2 87.53 1 144 A GLY 145 2 90.94 1 145 A ALA 146 2 92.62 1 146 A ARG 147 2 78.83 1 147 A LYS 148 2 88.40 1 148 A PRO 149 2 91.87 1 149 A LEU 150 2 84.99 1 150 A LYS 151 2 82.22 1 151 A GLY 152 2 91.99 1 152 A LYS 153 2 84.86 1 153 A THR 154 2 88.94 1 154 A ALA 155 2 94.82 1 155 A GLU 156 2 88.94 1 156 A VAL 157 2 93.54 1 157 A TRP 158 2 95.16 1 158 A ALA 159 2 95.18 1 159 A MET 160 2 91.12 1 160 A GLY 161 2 95.47 1 161 A ASP 162 2 93.32 1 162 A LYS 163 2 89.67 1 163 A LEU 164 2 93.54 1 164 A LEU 165 2 92.80 1 165 A LYS 166 2 88.97 1 166 A GLU 167 2 89.22 1 167 A LEU 168 2 91.41 1 168 A GLY 169 2 93.58 1 169 A ARG 170 2 89.28 1 170 A THR 171 2 92.22 1 171 A PRO 172 2 95.02 1 172 A GLU 173 2 88.07 1 173 A LEU 174 2 93.93 1 174 A LYS 175 2 87.66 1 175 A GLU 176 2 92.15 1 176 A MET 177 2 90.52 1 177 A LYS 178 2 91.95 1 178 A ALA 179 2 95.83 1 179 A ALA 180 2 95.44 1 180 A MET 181 2 89.89 1 181 A PRO 182 2 94.59 1 182 A SER 183 2 91.44 1 183 A TYR 184 2 88.18 1 184 A ASN 185 2 88.62 1 185 A GLY 186 2 95.30 1 186 A THR 187 2 90.85 1 187 A THR 188 2 90.76 1 188 A VAL 189 2 94.79 1 189 A ALA 190 2 96.41 1 190 A ILE 191 2 92.22 1 191 A GLN 192 2 91.75 1 192 A PHE 193 2 93.11 1 193 A TYR 194 2 89.81 1 194 A ALA 195 2 95.61 1 195 A TRP 196 2 95.13 1 196 A ARG 197 2 87.48 1 197 A LYS 198 2 88.08 1 198 A TYR 199 2 93.98 1 199 A ASN 200 2 90.88 1 200 A GLY 201 2 93.59 1 201 A LEU 202 2 89.56 1 202 A ASP 203 2 78.64 1 203 A ALA 204 2 65.53 1 204 # _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 SER . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n HIS . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n GLU . 8 A 8 A 9 1 n GLN . 9 A 9 A 10 1 n ASP . 10 A 10 A 11 1 n LYS . 11 A 11 A 12 1 n MET . 12 A 12 A 13 1 n ARG . 13 A 13 A 14 1 n TYR . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n LYS . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n ARG . 21 A 21 A 22 1 n ARG . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n THR . 26 A 26 A 27 1 n ARG . 27 A 27 A 28 1 n TRP . 28 A 28 A 29 1 n GLY . 29 A 29 A 30 1 n GLN . 30 A 30 A 31 1 n VAL . 31 A 31 A 32 1 n ALA . 32 A 32 A 33 1 n ARG . 33 A 33 A 34 1 n ASP . 34 A 34 A 35 1 n ALA . 35 A 35 A 36 1 n HIS . 36 A 36 A 37 1 n GLU . 37 A 37 A 38 1 n GLN . 38 A 38 A 39 1 n LEU . 39 A 39 A 40 1 n ILE . 40 A 40 A 41 1 n HIS . 41 A 41 A 42 1 n GLN . 42 A 42 A 43 1 n ASP . 43 A 43 A 44 1 n GLU . 44 A 44 A 45 1 n ILE . 45 A 45 A 46 1 n GLY . 46 A 46 A 47 1 n PHE . 47 A 47 A 48 1 n TYR . 48 A 48 A 49 1 n ILE . 49 A 49 A 50 1 n VAL . 50 A 50 A 51 1 n GLU . 51 A 51 A 52 1 n LYS . 52 A 52 A 53 1 n GLU . 53 A 53 A 54 1 n VAL . 54 A 54 A 55 1 n LEU . 55 A 55 A 56 1 n GLN . 56 A 56 A 57 1 n VAL . 57 A 57 A 58 1 n LEU . 58 A 58 A 59 1 n ARG . 59 A 59 A 60 1 n ASP . 60 A 60 A 61 1 n HIS . 61 A 61 A 62 1 n LYS . 62 A 62 A 63 1 n LYS . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n GLN . 65 A 65 A 66 1 n GLN . 66 A 66 A 67 1 n PRO . 67 A 67 A 68 1 n GLU . 68 A 68 A 69 1 n GLN . 69 A 69 A 70 1 n LYS . 70 A 70 A 71 1 n VAL . 71 A 71 A 72 1 n PRO . 72 A 72 A 73 1 n ALA . 73 A 73 A 74 1 n PRO . 74 A 74 A 75 1 n THR . 75 A 75 A 76 1 n ALA . 76 A 76 A 77 1 n ALA . 77 A 77 A 78 1 n PRO . 78 A 78 A 79 1 n ALA . 79 A 79 A 80 1 n SER . 80 A 80 A 81 1 n SER . 81 A 81 A 82 1 n VAL . 82 A 82 A 83 1 n SER . 83 A 83 A 84 1 n VAL . 84 A 84 A 85 1 n LEU . 85 A 85 A 86 1 n ARG . 86 A 86 A 87 1 n PRO . 87 A 87 A 88 1 n MET . 88 A 88 A 89 1 n VAL . 89 A 89 A 90 1 n ASN . 90 A 90 A 91 1 n PRO . 91 A 91 A 92 1 n GLU . 92 A 92 A 93 1 n ILE . 93 A 93 A 94 1 n VAL . 94 A 94 A 95 1 n LYS . 95 A 95 A 96 1 n SER . 96 A 96 A 97 1 n CYS . 97 A 97 A 98 1 n LEU . 98 A 98 A 99 1 n GLU . 99 A 99 A 100 1 n ALA . 100 A 100 A 101 1 n LEU . 101 A 101 A 102 1 n GLU . 102 A 102 A 103 1 n GLN . 103 A 103 A 104 1 n GLU . 104 A 104 A 105 1 n GLU . 105 A 105 A 106 1 n GLU . 106 A 106 A 107 1 n LYS . 107 A 107 A 108 1 n ASP . 108 A 108 A 109 1 n MET . 109 A 109 A 110 1 n LYS . 110 A 110 A 111 1 n HIS . 111 A 111 A 112 1 n ALA . 112 A 112 A 113 1 n LYS . 113 A 113 A 114 1 n ALA . 114 A 114 A 115 1 n ALA . 115 A 115 A 116 1 n THR . 116 A 116 A 117 1 n GLN . 117 A 117 A 118 1 n VAL . 118 A 118 A 119 1 n SER . 119 A 119 A 120 1 n GLU . 120 A 120 A 121 1 n ILE . 121 A 121 A 122 1 n LYS . 122 A 122 A 123 1 n ILE . 123 A 123 A 124 1 n GLU . 124 A 124 A 125 1 n GLU . 125 A 125 A 126 1 n PRO . 126 A 126 A 127 1 n LYS . 127 A 127 A 128 1 n ALA . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n ALA . 130 A 130 A 131 1 n PRO . 131 A 131 A 132 1 n LYS . 132 A 132 A 133 1 n GLN . 133 A 133 A 134 1 n ASP . 134 A 134 A 135 1 n VAL . 135 A 135 A 136 1 n LYS . 136 A 136 A 137 1 n THR . 137 A 137 A 138 1 n ALA . 138 A 138 A 139 1 n ARG . 139 A 139 A 140 1 n CYS . 140 A 140 A 141 1 n ASP . 141 A 141 A 142 1 n PHE . 142 A 142 A 143 1 n LYS . 143 A 143 A 144 1 n ASN . 144 A 144 A 145 1 n GLY . 145 A 145 A 146 1 n ALA . 146 A 146 A 147 1 n ARG . 147 A 147 A 148 1 n LYS . 148 A 148 A 149 1 n PRO . 149 A 149 A 150 1 n LEU . 150 A 150 A 151 1 n LYS . 151 A 151 A 152 1 n GLY . 152 A 152 A 153 1 n LYS . 153 A 153 A 154 1 n THR . 154 A 154 A 155 1 n ALA . 155 A 155 A 156 1 n GLU . 156 A 156 A 157 1 n VAL . 157 A 157 A 158 1 n TRP . 158 A 158 A 159 1 n ALA . 159 A 159 A 160 1 n MET . 160 A 160 A 161 1 n GLY . 161 A 161 A 162 1 n ASP . 162 A 162 A 163 1 n LYS . 163 A 163 A 164 1 n LEU . 164 A 164 A 165 1 n LEU . 165 A 165 A 166 1 n LYS . 166 A 166 A 167 1 n GLU . 167 A 167 A 168 1 n LEU . 168 A 168 A 169 1 n GLY . 169 A 169 A 170 1 n ARG . 170 A 170 A 171 1 n THR . 171 A 171 A 172 1 n PRO . 172 A 172 A 173 1 n GLU . 173 A 173 A 174 1 n LEU . 174 A 174 A 175 1 n LYS . 175 A 175 A 176 1 n GLU . 176 A 176 A 177 1 n MET . 177 A 177 A 178 1 n LYS . 178 A 178 A 179 1 n ALA . 179 A 179 A 180 1 n ALA . 180 A 180 A 181 1 n MET . 181 A 181 A 182 1 n PRO . 182 A 182 A 183 1 n SER . 183 A 183 A 184 1 n TYR . 184 A 184 A 185 1 n ASN . 185 A 185 A 186 1 n GLY . 186 A 186 A 187 1 n THR . 187 A 187 A 188 1 n THR . 188 A 188 A 189 1 n VAL . 189 A 189 A 190 1 n ALA . 190 A 190 A 191 1 n ILE . 191 A 191 A 192 1 n GLN . 192 A 192 A 193 1 n PHE . 193 A 193 A 194 1 n TYR . 194 A 194 A 195 1 n ALA . 195 A 195 A 196 1 n TRP . 196 A 196 A 197 1 n ARG . 197 A 197 A 198 1 n LYS . 198 A 198 A 199 1 n TYR . 199 A 199 A 200 1 n ASN . 200 A 200 A 201 1 n GLY . 201 A 201 A 202 1 n LEU . 202 A 202 A 203 1 n ASP . 203 A 203 A 204 1 n ALA . 204 A 204 # _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 ? -25.547 -17.047 -24.361 1.00 33.82 1 A 1 ATOM 2 C CA . MET A 1 1 ? -24.913 -16.631 -23.090 1.00 44.29 1 A 1 ATOM 3 C C . MET A 1 1 ? -25.364 -17.607 -22.012 1.00 46.36 1 A 1 ATOM 4 O O . MET A 1 1 ? -26.538 -17.583 -21.656 1.00 43.02 1 A 1 ATOM 5 C CB . MET A 1 1 ? -25.310 -15.196 -22.708 1.00 42.24 1 A 1 ATOM 6 C CG . MET A 1 1 ? -24.739 -14.144 -23.669 1.00 37.99 1 A 1 ATOM 7 S SD . MET A 1 1 ? -25.238 -12.461 -23.223 1.00 35.73 1 A 1 ATOM 8 C CE . MET A 1 1 ? -24.378 -11.502 -24.502 1.00 30.36 1 A 1 ATOM 9 N N . SER A 1 2 ? -24.494 -18.500 -21.575 1.00 45.18 2 A 1 ATOM 10 C CA . SER A 1 2 ? -24.841 -19.515 -20.573 1.00 52.04 2 A 1 ATOM 11 C C . SER A 1 2 ? -24.974 -18.836 -19.211 1.00 52.36 2 A 1 ATOM 12 O O . SER A 1 2 ? -23.997 -18.302 -18.690 1.00 50.03 2 A 1 ATOM 13 C CB . SER A 1 2 ? -23.777 -20.617 -20.539 1.00 49.99 2 A 1 ATOM 14 O OG . SER A 1 2 ? -23.594 -21.132 -21.849 1.00 44.07 2 A 1 ATOM 15 N N . LYS A 1 3 ? -26.175 -18.809 -18.644 1.00 57.39 3 A 1 ATOM 16 C CA . LYS A 1 3 ? -26.400 -18.333 -17.273 1.00 62.12 3 A 1 ATOM 17 C C . LYS A 1 3 ? -25.774 -19.345 -16.309 1.00 61.04 3 A 1 ATOM 18 O O . LYS A 1 3 ? -26.380 -20.374 -16.016 1.00 58.53 3 A 1 ATOM 19 C CB . LYS A 1 3 ? -27.906 -18.147 -16.992 1.00 59.06 3 A 1 ATOM 20 C CG . LYS A 1 3 ? -28.483 -16.839 -17.558 1.00 53.73 3 A 1 ATOM 21 C CD . LYS A 1 3 ? -29.981 -16.706 -17.226 1.00 50.30 3 A 1 ATOM 22 C CE . LYS A 1 3 ? -30.546 -15.362 -17.710 1.00 43.96 3 A 1 ATOM 23 N NZ . LYS A 1 3 ? -32.001 -15.223 -17.439 1.00 38.45 3 A 1 ATOM 24 N N . VAL A 1 4 ? -24.560 -19.062 -15.843 1.00 57.72 4 A 1 ATOM 25 C CA . VAL A 1 4 ? -23.931 -19.845 -14.773 1.00 61.68 4 A 1 ATOM 26 C C . VAL A 1 4 ? -24.693 -19.543 -13.481 1.00 64.14 4 A 1 ATOM 27 O O . VAL A 1 4 ? -24.601 -18.448 -12.928 1.00 60.36 4 A 1 ATOM 28 C CB . VAL A 1 4 ? -22.423 -19.548 -14.656 1.00 57.12 4 A 1 ATOM 29 C CG1 . VAL A 1 4 ? -21.776 -20.459 -13.603 1.00 51.11 4 A 1 ATOM 30 C CG2 . VAL A 1 4 ? -21.694 -19.795 -15.989 1.00 53.33 4 A 1 ATOM 31 N N . THR A 1 5 ? -25.506 -20.491 -13.030 1.00 65.07 5 A 1 ATOM 32 C CA . THR A 1 5 ? -26.284 -20.344 -11.796 1.00 67.73 5 A 1 ATOM 33 C C . THR A 1 5 ? -25.439 -20.778 -10.601 1.00 69.28 5 A 1 ATOM 34 O O . THR A 1 5 ? -25.333 -21.961 -10.280 1.00 65.68 5 A 1 ATOM 35 C CB . THR A 1 5 ? -27.610 -21.125 -11.860 1.00 63.25 5 A 1 ATOM 36 O OG1 . THR A 1 5 ? -27.390 -22.457 -12.265 1.00 56.82 5 A 1 ATOM 37 C CG2 . THR A 1 5 ? -28.587 -20.496 -12.858 1.00 57.60 5 A 1 ATOM 38 N N . HIS A 1 6 ? -24.837 -19.809 -9.914 1.00 68.49 6 A 1 ATOM 39 C CA . HIS A 1 6 ? -24.128 -20.059 -8.655 1.00 70.97 6 A 1 ATOM 40 C C . HIS A 1 6 ? -25.113 -20.152 -7.486 1.00 72.16 6 A 1 ATOM 41 O O . HIS A 1 6 ? -26.074 -19.384 -7.415 1.00 72.22 6 A 1 ATOM 42 C CB . HIS A 1 6 ? -23.088 -18.964 -8.407 1.00 67.49 6 A 1 ATOM 43 C CG . HIS A 1 6 ? -22.118 -18.831 -9.545 1.00 66.47 6 A 1 ATOM 44 N ND1 . HIS A 1 6 ? -21.115 -19.712 -9.884 1.00 59.18 6 A 1 ATOM 45 C CD2 . HIS A 1 6 ? -22.136 -17.834 -10.485 1.00 56.81 6 A 1 ATOM 46 C CE1 . HIS A 1 6 ? -20.541 -19.247 -11.010 1.00 54.69 6 A 1 ATOM 47 N NE2 . HIS A 1 6 ? -21.139 -18.115 -11.406 1.00 55.08 6 A 1 ATOM 48 N N . ARG A 1 7 ? -24.841 -21.058 -6.542 1.00 75.22 7 A 1 ATOM 49 C CA . ARG A 1 7 ? -25.632 -21.160 -5.306 1.00 78.40 7 A 1 ATOM 50 C C . ARG A 1 7 ? -25.469 -19.879 -4.490 1.00 80.06 7 A 1 ATOM 51 O O . ARG A 1 7 ? -24.351 -19.393 -4.331 1.00 78.68 7 A 1 ATOM 52 C CB . ARG A 1 7 ? -25.218 -22.383 -4.473 1.00 75.57 7 A 1 ATOM 53 C CG . ARG A 1 7 ? -25.570 -23.710 -5.161 1.00 70.94 7 A 1 ATOM 54 C CD . ARG A 1 7 ? -25.204 -24.888 -4.251 1.00 67.71 7 A 1 ATOM 55 N NE . ARG A 1 7 ? -25.577 -26.183 -4.856 1.00 59.75 7 A 1 ATOM 56 C CZ . ARG A 1 7 ? -25.440 -27.377 -4.305 1.00 53.77 7 A 1 ATOM 57 N NH1 . ARG A 1 7 ? -24.909 -27.534 -3.122 1.00 50.18 7 A 1 ATOM 58 N NH2 . ARG A 1 7 ? -25.837 -28.449 -4.936 1.00 49.28 7 A 1 ATOM 59 N N . GLU A 1 8 ? -26.548 -19.381 -3.932 1.00 81.38 8 A 1 ATOM 60 C CA . GLU A 1 8 ? -26.545 -18.116 -3.173 1.00 82.89 8 A 1 ATOM 61 C C . GLU A 1 8 ? -25.565 -18.137 -1.983 1.00 84.66 8 A 1 ATOM 62 O O . GLU A 1 8 ? -24.915 -17.137 -1.697 1.00 81.12 8 A 1 ATOM 63 C CB . GLU A 1 8 ? -27.987 -17.833 -2.716 1.00 79.63 8 A 1 ATOM 64 C CG . GLU A 1 8 ? -28.203 -16.416 -2.171 1.00 72.92 8 A 1 ATOM 65 C CD . GLU A 1 8 ? -27.860 -15.313 -3.186 1.00 68.18 8 A 1 ATOM 66 O OE1 . GLU A 1 8 ? -27.488 -14.205 -2.747 1.00 64.21 8 A 1 ATOM 67 O OE2 . GLU A 1 8 ? -27.914 -15.541 -4.416 1.00 63.84 8 A 1 ATOM 68 N N . GLN A 1 9 ? -25.379 -19.296 -1.357 1.00 84.25 9 A 1 ATOM 69 C CA . GLN A 1 9 ? -24.449 -19.507 -0.235 1.00 83.29 9 A 1 ATOM 70 C C . GLN A 1 9 ? -22.968 -19.321 -0.617 1.00 84.22 9 A 1 ATOM 71 O O . GLN A 1 9 ? -22.160 -18.966 0.238 1.00 80.67 9 A 1 ATOM 72 C CB . GLN A 1 9 ? -24.655 -20.929 0.311 1.00 80.73 9 A 1 ATOM 73 C CG . GLN A 1 9 ? -26.042 -21.131 0.942 1.00 72.46 9 A 1 ATOM 74 C CD . GLN A 1 9 ? -26.271 -22.568 1.408 1.00 65.92 9 A 1 ATOM 75 O OE1 . GLN A 1 9 ? -25.520 -23.486 1.121 1.00 59.96 9 A 1 ATOM 76 N NE2 . GLN A 1 9 ? -27.339 -22.828 2.133 1.00 56.41 9 A 1 ATOM 77 N N . ASP A 1 10 ? -22.607 -19.544 -1.874 1.00 87.96 10 A 1 ATOM 78 C CA . ASP A 1 10 ? -21.230 -19.403 -2.366 1.00 87.43 10 A 1 ATOM 79 C C . ASP A 1 10 ? -20.924 -17.960 -2.836 1.00 89.61 10 A 1 ATOM 80 O O . ASP A 1 10 ? -19.777 -17.642 -3.172 1.00 86.76 10 A 1 ATOM 81 C CB . ASP A 1 10 ? -20.987 -20.417 -3.507 1.00 83.47 10 A 1 ATOM 82 C CG . ASP A 1 10 ? -20.950 -21.902 -3.108 1.00 78.67 10 A 1 ATOM 83 O OD1 . ASP A 1 10 ? -20.336 -22.266 -2.085 1.00 73.13 10 A 1 ATOM 84 O OD2 . ASP A 1 10 ? -21.347 -22.763 -3.933 1.00 71.70 10 A 1 ATOM 85 N N . LYS A 1 11 ? -21.931 -17.079 -2.881 1.00 89.26 11 A 1 ATOM 86 C CA . LYS A 1 11 ? -21.805 -15.703 -3.373 1.00 90.59 11 A 1 ATOM 87 C C . LYS A 1 11 ? -21.409 -14.741 -2.253 1.00 91.56 11 A 1 ATOM 88 O O . LYS A 1 11 ? -22.170 -14.500 -1.319 1.00 89.18 11 A 1 ATOM 89 C CB . LYS A 1 11 ? -23.107 -15.230 -4.035 1.00 88.93 11 A 1 ATOM 90 C CG . LYS A 1 11 ? -23.484 -16.003 -5.309 1.00 88.61 11 A 1 ATOM 91 C CD . LYS A 1 11 ? -24.765 -15.404 -5.914 1.00 85.99 11 A 1 ATOM 92 C CE . LYS A 1 11 ? -25.222 -16.150 -7.170 1.00 82.78 11 A 1 ATOM 93 N NZ . LYS A 1 11 ? -26.385 -15.485 -7.803 1.00 76.12 11 A 1 ATOM 94 N N . MET A 1 12 ? -20.261 -14.092 -2.392 1.00 89.82 12 A 1 ATOM 95 C CA . MET A 1 12 ? -19.879 -12.940 -1.568 1.00 90.41 12 A 1 ATOM 96 C C . MET A 1 12 ? -20.430 -11.672 -2.215 1.00 92.20 12 A 1 ATOM 97 O O . MET A 1 12 ? -19.931 -11.247 -3.258 1.00 90.22 12 A 1 ATOM 98 C CB . MET A 1 12 ? -18.356 -12.859 -1.433 1.00 89.53 12 A 1 ATOM 99 C CG . MET A 1 12 ? -17.806 -14.068 -0.688 1.00 85.75 12 A 1 ATOM 100 S SD . MET A 1 12 ? -16.021 -13.971 -0.388 1.00 79.17 12 A 1 ATOM 101 C CE . MET A 1 12 ? -15.839 -15.622 0.330 1.00 69.43 12 A 1 ATOM 102 N N . ARG A 1 13 ? -21.444 -11.063 -1.618 1.00 91.83 13 A 1 ATOM 103 C CA . ARG A 1 13 ? -22.133 -9.888 -2.180 1.00 91.69 13 A 1 ATOM 104 C C . ARG A 1 13 ? -21.497 -8.564 -1.763 1.00 92.32 13 A 1 ATOM 105 O O . ARG A 1 13 ? -21.084 -8.381 -0.619 1.00 90.25 13 A 1 ATOM 106 C CB . ARG A 1 13 ? -23.632 -9.922 -1.845 1.00 89.32 13 A 1 ATOM 107 C CG . ARG A 1 13 ? -24.351 -11.044 -2.623 1.00 85.80 13 A 1 ATOM 108 C CD . ARG A 1 13 ? -25.867 -10.942 -2.443 1.00 83.63 13 A 1 ATOM 109 N NE . ARG A 1 13 ? -26.573 -11.887 -3.332 1.00 82.49 13 A 1 ATOM 110 C CZ . ARG A 1 13 ? -26.929 -11.698 -4.597 1.00 80.44 13 A 1 ATOM 111 N NH1 . ARG A 1 13 ? -26.671 -10.611 -5.253 1.00 70.85 13 A 1 ATOM 112 N NH2 . ARG A 1 13 ? -27.570 -12.632 -5.222 1.00 74.64 13 A 1 ATOM 113 N N . TYR A 1 14 ? -21.479 -7.621 -2.699 1.00 90.38 14 A 1 ATOM 114 C CA . TYR A 1 14 ? -20.967 -6.261 -2.527 1.00 90.73 14 A 1 ATOM 115 C C . TYR A 1 14 ? -21.936 -5.252 -3.151 1.00 91.64 14 A 1 ATOM 116 O O . TYR A 1 14 ? -22.481 -5.478 -4.229 1.00 87.95 14 A 1 ATOM 117 C CB . TYR A 1 14 ? -19.572 -6.136 -3.158 1.00 90.56 14 A 1 ATOM 118 C CG . TYR A 1 14 ? -18.533 -7.062 -2.549 1.00 92.54 14 A 1 ATOM 119 C CD1 . TYR A 1 14 ? -17.786 -6.648 -1.429 1.00 87.70 14 A 1 ATOM 120 C CD2 . TYR A 1 14 ? -18.354 -8.358 -3.071 1.00 88.52 14 A 1 ATOM 121 C CE1 . TYR A 1 14 ? -16.866 -7.529 -0.828 1.00 86.69 14 A 1 ATOM 122 C CE2 . TYR A 1 14 ? -17.441 -9.245 -2.469 1.00 87.04 14 A 1 ATOM 123 C CZ . TYR A 1 14 ? -16.699 -8.831 -1.344 1.00 89.70 14 A 1 ATOM 124 O OH . TYR A 1 14 ? -15.831 -9.693 -0.750 1.00 88.64 14 A 1 ATOM 125 N N . THR A 1 15 ? -22.104 -4.114 -2.496 1.00 90.22 15 A 1 ATOM 126 C CA . THR A 1 15 ? -22.963 -3.024 -2.997 1.00 89.95 15 A 1 ATOM 127 C C . THR A 1 15 ? -22.342 -2.287 -4.186 1.00 90.27 15 A 1 ATOM 128 O O . THR A 1 15 ? -23.052 -1.810 -5.062 1.00 87.47 15 A 1 ATOM 129 C CB . THR A 1 15 ? -23.255 -2.021 -1.878 1.00 88.29 15 A 1 ATOM 130 O OG1 . THR A 1 15 ? -22.044 -1.600 -1.280 1.00 83.32 15 A 1 ATOM 131 C CG2 . THR A 1 15 ? -24.106 -2.640 -0.765 1.00 80.25 15 A 1 ATOM 132 N N . MET A 1 16 ? -20.999 -2.215 -4.237 1.00 90.05 16 A 1 ATOM 133 C CA . MET A 1 16 ? -20.260 -1.522 -5.290 1.00 90.94 16 A 1 ATOM 134 C C . MET A 1 16 ? -19.185 -2.420 -5.908 1.00 91.80 16 A 1 ATOM 135 O O . MET A 1 16 ? -18.457 -3.112 -5.195 1.00 89.77 16 A 1 ATOM 136 C CB . MET A 1 16 ? -19.611 -0.243 -4.738 1.00 89.20 16 A 1 ATOM 137 C CG . MET A 1 16 ? -20.618 0.757 -4.160 1.00 84.58 16 A 1 ATOM 138 S SD . MET A 1 16 ? -19.844 2.298 -3.593 1.00 76.82 16 A 1 ATOM 139 C CE . MET A 1 16 ? -19.618 3.158 -5.175 1.00 68.06 16 A 1 ATOM 140 N N . LYS A 1 17 ? -18.996 -2.319 -7.232 1.00 93.35 17 A 1 ATOM 141 C CA . LYS A 1 17 ? -17.935 -3.027 -7.974 1.00 94.52 17 A 1 ATOM 142 C C . LYS A 1 17 ? -16.535 -2.708 -7.432 1.00 95.13 17 A 1 ATOM 143 O O . LYS A 1 17 ? -15.675 -3.585 -7.363 1.00 94.19 17 A 1 ATOM 144 C CB . LYS A 1 17 ? -18.051 -2.687 -9.475 1.00 93.88 17 A 1 ATOM 145 C CG . LYS A 1 17 ? -17.157 -3.579 -10.362 1.00 92.65 17 A 1 ATOM 146 C CD . LYS A 1 17 ? -17.362 -3.314 -11.865 1.00 90.02 17 A 1 ATOM 147 C CE . LYS A 1 17 ? -16.479 -4.259 -12.701 1.00 85.86 17 A 1 ATOM 148 N NZ . LYS A 1 17 ? -16.657 -4.101 -14.174 1.00 78.81 17 A 1 ATOM 149 N N . THR A 1 18 ? -16.299 -1.471 -6.997 1.00 93.30 18 A 1 ATOM 150 C CA . THR A 1 18 ? -15.028 -1.034 -6.394 1.00 92.95 18 A 1 ATOM 151 C C . THR A 1 18 ? -14.718 -1.763 -5.084 1.00 93.31 18 A 1 ATOM 152 O O . THR A 1 18 ? -13.571 -2.150 -4.857 1.00 91.57 18 A 1 ATOM 153 C CB . THR A 1 18 ? -15.053 0.477 -6.129 1.00 92.19 18 A 1 ATOM 154 O OG1 . THR A 1 18 ? -16.226 0.817 -5.423 1.00 86.64 18 A 1 ATOM 155 C CG2 . THR A 1 18 ? -15.054 1.278 -7.431 1.00 82.69 18 A 1 ATOM 156 N N . ASN A 1 19 ? -15.730 -2.020 -4.261 1.00 90.87 19 A 1 ATOM 157 C CA . ASN A 1 19 ? -15.584 -2.775 -3.015 1.00 91.18 19 A 1 ATOM 158 C C . ASN A 1 19 ? -15.261 -4.248 -3.298 1.00 92.38 19 A 1 ATOM 159 O O . ASN A 1 19 ? -14.344 -4.787 -2.685 1.00 91.04 19 A 1 ATOM 160 C CB . ASN A 1 19 ? -16.856 -2.622 -2.164 1.00 89.91 19 A 1 ATOM 161 C CG . ASN A 1 19 ? -17.033 -1.220 -1.607 1.00 86.75 19 A 1 ATOM 162 O OD1 . ASN A 1 19 ? -16.132 -0.395 -1.624 1.00 76.66 19 A 1 ATOM 163 N ND2 . ASN A 1 19 ? -18.193 -0.911 -1.076 1.00 76.15 19 A 1 ATOM 164 N N . ALA A 1 20 ? -15.925 -4.856 -4.278 1.00 92.61 20 A 1 ATOM 165 C CA . ALA A 1 20 ? -15.615 -6.212 -4.736 1.00 92.88 20 A 1 ATOM 166 C C . ALA A 1 20 ? -14.164 -6.318 -5.246 1.00 93.59 20 A 1 ATOM 167 O O . ALA A 1 20 ? -13.401 -7.183 -4.815 1.00 93.72 20 A 1 ATOM 168 C CB . ALA A 1 20 ? -16.642 -6.599 -5.811 1.00 93.67 20 A 1 ATOM 169 N N . ARG A 1 21 ? -13.722 -5.360 -6.069 1.00 91.55 21 A 1 ATOM 170 C CA . ARG A 1 21 ? -12.340 -5.291 -6.584 1.00 92.39 21 A 1 ATOM 171 C C . ARG A 1 21 ? -11.297 -5.131 -5.471 1.00 92.91 21 A 1 ATOM 172 O O . ARG A 1 21 ? -10.215 -5.713 -5.535 1.00 92.13 21 A 1 ATOM 173 C CB . ARG A 1 21 ? -12.264 -4.140 -7.596 1.00 91.90 21 A 1 ATOM 174 C CG . ARG A 1 21 ? -10.964 -4.170 -8.406 1.00 84.03 21 A 1 ATOM 175 C CD . ARG A 1 21 ? -10.925 -3.001 -9.393 1.00 84.00 21 A 1 ATOM 176 N NE . ARG A 1 21 ? -9.740 -3.082 -10.272 1.00 77.28 21 A 1 ATOM 177 C CZ . ARG A 1 21 ? -9.336 -2.171 -11.143 1.00 74.35 21 A 1 ATOM 178 N NH1 . ARG A 1 21 ? -9.920 -1.015 -11.264 1.00 65.67 21 A 1 ATOM 179 N NH2 . ARG A 1 21 ? -8.334 -2.425 -11.934 1.00 64.37 21 A 1 ATOM 180 N N . ARG A 1 22 ? -11.605 -4.330 -4.447 1.00 91.20 22 A 1 ATOM 181 C CA . ARG A 1 22 ? -10.754 -4.176 -3.257 1.00 90.98 22 A 1 ATOM 182 C C . ARG A 1 22 ? -10.694 -5.468 -2.439 1.00 92.58 22 A 1 ATOM 183 O O . ARG A 1 22 ? -9.605 -5.851 -2.020 1.00 91.51 22 A 1 ATOM 184 C CB . ARG A 1 22 ? -11.255 -2.984 -2.427 1.00 90.26 22 A 1 ATOM 185 C CG . ARG A 1 22 ? -10.311 -2.661 -1.260 1.00 81.49 22 A 1 ATOM 186 C CD . ARG A 1 22 ? -10.810 -1.425 -0.510 1.00 78.59 22 A 1 ATOM 187 N NE . ARG A 1 22 ? -9.914 -1.061 0.608 1.00 68.99 22 A 1 ATOM 188 C CZ . ARG A 1 22 ? -10.060 -0.029 1.417 1.00 63.67 22 A 1 ATOM 189 N NH1 . ARG A 1 22 ? -11.055 0.804 1.307 1.00 56.44 22 A 1 ATOM 190 N NH2 . ARG A 1 22 ? -9.200 0.189 2.367 1.00 54.70 22 A 1 ATOM 191 N N . ALA A 1 23 ? -11.821 -6.145 -2.265 1.00 93.40 23 A 1 ATOM 192 C CA . ALA A 1 23 ? -11.890 -7.418 -1.553 1.00 92.45 23 A 1 ATOM 193 C C . ALA A 1 23 ? -11.060 -8.513 -2.248 1.00 93.25 23 A 1 ATOM 194 O O . ALA A 1 23 ? -10.295 -9.199 -1.572 1.00 92.98 23 A 1 ATOM 195 C CB . ALA A 1 23 ? -13.357 -7.820 -1.403 1.00 92.52 23 A 1 ATOM 196 N N . LEU A 1 24 ? -11.105 -8.604 -3.586 1.00 93.09 24 A 1 ATOM 197 C CA . LEU A 1 24 ? -10.249 -9.507 -4.368 1.00 91.79 24 A 1 ATOM 198 C C . LEU A 1 24 ? -8.764 -9.290 -4.056 1.00 92.19 24 A 1 ATOM 199 O O . LEU A 1 24 ? -8.047 -10.245 -3.771 1.00 91.42 24 A 1 ATOM 200 C CB . LEU A 1 24 ? -10.497 -9.303 -5.876 1.00 92.20 24 A 1 ATOM 201 C CG . LEU A 1 24 ? -11.793 -9.936 -6.407 1.00 90.90 24 A 1 ATOM 202 C CD1 . LEU A 1 24 ? -12.008 -9.505 -7.858 1.00 84.09 24 A 1 ATOM 203 C CD2 . LEU A 1 24 ? -11.736 -11.465 -6.367 1.00 84.56 24 A 1 ATOM 204 N N . LYS A 1 25 ? -8.310 -8.028 -4.023 1.00 92.91 25 A 1 ATOM 205 C CA . LYS A 1 25 ? -6.920 -7.700 -3.679 1.00 92.72 25 A 1 ATOM 206 C C . LYS A 1 25 ? -6.560 -8.110 -2.252 1.00 93.17 25 A 1 ATOM 207 O O . LYS A 1 25 ? -5.495 -8.676 -2.035 1.00 91.51 25 A 1 ATOM 208 C CB . LYS A 1 25 ? -6.651 -6.206 -3.905 1.00 91.57 25 A 1 ATOM 209 C CG . LYS A 1 25 ? -5.156 -5.890 -3.722 1.00 88.76 25 A 1 ATOM 210 C CD . LYS A 1 25 ? -4.830 -4.421 -4.006 1.00 84.67 25 A 1 ATOM 211 C CE . LYS A 1 25 ? -3.322 -4.229 -3.826 1.00 79.07 25 A 1 ATOM 212 N NZ . LYS A 1 25 ? -2.870 -2.853 -4.131 1.00 70.98 25 A 1 ATOM 213 N N . THR A 1 26 ? -7.416 -7.787 -1.290 1.00 92.03 26 A 1 ATOM 214 C CA . THR A 1 26 ? -7.126 -8.009 0.137 1.00 91.30 26 A 1 ATOM 215 C C . THR A 1 26 ? -7.128 -9.491 0.502 1.00 91.81 26 A 1 ATOM 216 O O . THR A 1 26 ? -6.303 -9.916 1.303 1.00 88.96 26 A 1 ATOM 217 C CB . THR A 1 26 ? -8.134 -7.253 1.013 1.00 91.23 26 A 1 ATOM 218 O OG1 . THR A 1 26 ? -8.111 -5.880 0.688 1.00 84.45 26 A 1 ATOM 219 C CG2 . THR A 1 26 ? -7.819 -7.341 2.507 1.00 80.31 26 A 1 ATOM 220 N N . ARG A 1 27 ? -8.040 -10.276 -0.083 1.00 91.70 27 A 1 ATOM 221 C CA . ARG A 1 27 ? -8.246 -11.681 0.290 1.00 91.20 27 A 1 ATOM 222 C C . ARG A 1 27 ? -7.416 -12.655 -0.548 1.00 92.21 27 A 1 ATOM 223 O O . ARG A 1 27 ? -6.914 -13.628 0.001 1.00 89.70 27 A 1 ATOM 224 C CB . ARG A 1 27 ? -9.751 -11.977 0.226 1.00 90.87 27 A 1 ATOM 225 C CG . ARG A 1 27 ? -10.130 -13.318 0.861 1.00 85.34 27 A 1 ATOM 226 C CD . ARG A 1 27 ? -11.651 -13.426 0.991 1.00 83.09 27 A 1 ATOM 227 N NE . ARG A 1 27 ? -12.075 -14.747 1.492 1.00 76.77 27 A 1 ATOM 228 C CZ . ARG A 1 27 ? -13.104 -15.018 2.276 1.00 70.19 27 A 1 ATOM 229 N NH1 . ARG A 1 27 ? -13.867 -14.090 2.775 1.00 64.58 27 A 1 ATOM 230 N NH2 . ARG A 1 27 ? -13.401 -16.258 2.559 1.00 63.35 27 A 1 ATOM 231 N N . TRP A 1 28 ? -7.231 -12.377 -1.846 1.00 94.45 28 A 1 ATOM 232 C CA . TRP A 1 28 ? -6.575 -13.285 -2.796 1.00 93.59 28 A 1 ATOM 233 C C . TRP A 1 28 ? -5.381 -12.676 -3.545 1.00 94.08 28 A 1 ATOM 234 O O . TRP A 1 28 ? -4.731 -13.356 -4.339 1.00 90.00 28 A 1 ATOM 235 C CB . TRP A 1 28 ? -7.627 -13.840 -3.753 1.00 93.09 28 A 1 ATOM 236 C CG . TRP A 1 28 ? -8.744 -14.614 -3.106 1.00 92.74 28 A 1 ATOM 237 C CD1 . TRP A 1 28 ? -8.660 -15.893 -2.682 1.00 88.33 28 A 1 ATOM 238 C CD2 . TRP A 1 28 ? -10.114 -14.185 -2.842 1.00 91.38 28 A 1 ATOM 239 N NE1 . TRP A 1 28 ? -9.893 -16.297 -2.191 1.00 87.95 28 A 1 ATOM 240 C CE2 . TRP A 1 28 ? -10.824 -15.287 -2.283 1.00 90.48 28 A 1 ATOM 241 C CE3 . TRP A 1 28 ? -10.827 -12.988 -3.052 1.00 88.96 28 A 1 ATOM 242 C CZ2 . TRP A 1 28 ? -12.192 -15.211 -1.975 1.00 88.58 28 A 1 ATOM 243 C CZ3 . TRP A 1 28 ? -12.200 -12.900 -2.730 1.00 85.30 28 A 1 ATOM 244 C CH2 . TRP A 1 28 ? -12.880 -14.007 -2.206 1.00 84.98 28 A 1 ATOM 245 N N . GLY A 1 29 ? -5.042 -11.410 -3.265 1.00 92.30 29 A 1 ATOM 246 C CA . GLY A 1 29 ? -3.860 -10.752 -3.810 1.00 92.46 29 A 1 ATOM 247 C C . GLY A 1 29 ? -4.071 -10.053 -5.160 1.00 93.52 29 A 1 ATOM 248 O O . GLY A 1 29 ? -5.188 -9.850 -5.639 1.00 91.67 29 A 1 ATOM 249 N N . GLN A 1 30 ? -2.952 -9.623 -5.740 1.00 92.07 30 A 1 ATOM 250 C CA . GLN A 1 30 ? -2.953 -8.777 -6.937 1.00 92.73 30 A 1 ATOM 251 C C . GLN A 1 30 ? -3.463 -9.519 -8.182 1.00 93.48 30 A 1 ATOM 252 O O . GLN A 1 30 ? -4.266 -8.955 -8.919 1.00 91.41 30 A 1 ATOM 253 C CB . GLN A 1 30 ? -1.535 -8.203 -7.138 1.00 91.10 30 A 1 ATOM 254 C CG . GLN A 1 30 ? -1.465 -7.144 -8.247 1.00 87.08 30 A 1 ATOM 255 C CD . GLN A 1 30 ? -2.357 -5.931 -8.008 1.00 87.04 30 A 1 ATOM 256 O OE1 . GLN A 1 30 ? -2.537 -5.438 -6.898 1.00 83.34 30 A 1 ATOM 257 N NE2 . GLN A 1 30 ? -2.971 -5.411 -9.043 1.00 79.14 30 A 1 ATOM 258 N N . VAL A 1 31 ? -3.094 -10.785 -8.346 1.00 93.74 31 A 1 ATOM 259 C CA . VAL A 1 31 ? -3.516 -11.632 -9.479 1.00 93.89 31 A 1 ATOM 260 C C . VAL A 1 31 ? -5.045 -11.715 -9.577 1.00 95.03 31 A 1 ATOM 261 O O . VAL A 1 31 ? -5.624 -11.494 -10.637 1.00 93.11 31 A 1 ATOM 262 C CB . VAL A 1 31 ? -2.909 -13.042 -9.335 1.00 92.80 31 A 1 ATOM 263 C CG1 . VAL A 1 31 ? -3.346 -13.977 -10.470 1.00 88.43 31 A 1 ATOM 264 C CG2 . VAL A 1 31 ? -1.374 -12.986 -9.312 1.00 87.48 31 A 1 ATOM 265 N N . ALA A 1 32 ? -5.716 -11.944 -8.446 1.00 91.85 32 A 1 ATOM 266 C CA . ALA A 1 32 ? -7.177 -11.976 -8.406 1.00 91.58 32 A 1 ATOM 267 C C . ALA A 1 32 ? -7.797 -10.598 -8.699 1.00 91.88 32 A 1 ATOM 268 O O . ALA A 1 32 ? -8.855 -10.504 -9.311 1.00 91.05 32 A 1 ATOM 269 C CB . ALA A 1 32 ? -7.611 -12.493 -7.030 1.00 91.93 32 A 1 ATOM 270 N N . ARG A 1 33 ? -7.141 -9.513 -8.274 1.00 93.61 33 A 1 ATOM 271 C CA . ARG A 1 33 ? -7.596 -8.151 -8.600 1.00 93.32 33 A 1 ATOM 272 C C . ARG A 1 33 ? -7.479 -7.846 -10.089 1.00 93.90 33 A 1 ATOM 273 O O . ARG A 1 33 ? -8.334 -7.140 -10.607 1.00 92.70 33 A 1 ATOM 274 C CB . ARG A 1 33 ? -6.810 -7.132 -7.771 1.00 92.07 33 A 1 ATOM 275 C CG . ARG A 1 33 ? -7.268 -5.691 -8.049 1.00 86.36 33 A 1 ATOM 276 C CD . ARG A 1 33 ? -6.358 -4.718 -7.328 1.00 83.32 33 A 1 ATOM 277 N NE . ARG A 1 33 ? -6.696 -3.314 -7.617 1.00 75.53 33 A 1 ATOM 278 C CZ . ARG A 1 33 ? -6.239 -2.588 -8.626 1.00 70.86 33 A 1 ATOM 279 N NH1 . ARG A 1 33 ? -5.461 -3.082 -9.549 1.00 62.50 33 A 1 ATOM 280 N NH2 . ARG A 1 33 ? -6.565 -1.329 -8.712 1.00 62.83 33 A 1 ATOM 281 N N . ASP A 1 34 ? -6.430 -8.318 -10.741 1.00 91.89 34 A 1 ATOM 282 C CA . ASP A 1 34 ? -6.204 -8.065 -12.167 1.00 91.77 34 A 1 ATOM 283 C C . ASP A 1 34 ? -7.213 -8.851 -13.027 1.00 92.41 34 A 1 ATOM 284 O O . ASP A 1 34 ? -7.761 -8.304 -13.978 1.00 90.06 34 A 1 ATOM 285 C CB . ASP A 1 34 ? -4.725 -8.335 -12.505 1.00 90.73 34 A 1 ATOM 286 C CG . ASP A 1 34 ? -3.771 -7.380 -11.745 1.00 87.46 34 A 1 ATOM 287 O OD1 . ASP A 1 34 ? -4.194 -6.259 -11.354 1.00 80.09 34 A 1 ATOM 288 O OD2 . ASP A 1 34 ? -2.621 -7.769 -11.457 1.00 79.44 34 A 1 ATOM 289 N N . ALA A 1 35 ? -7.604 -10.048 -12.565 1.00 93.13 35 A 1 ATOM 290 C CA . ALA A 1 35 ? -8.681 -10.841 -13.170 1.00 92.70 35 A 1 ATOM 291 C C . ALA A 1 35 ? -10.109 -10.401 -12.757 1.00 93.58 35 A 1 ATOM 292 O O . ALA A 1 35 ? -11.076 -11.143 -12.928 1.00 91.56 35 A 1 ATOM 293 C CB . ALA A 1 35 ? -8.403 -12.316 -12.853 1.00 92.76 35 A 1 ATOM 294 N N . HIS A 1 36 ? -10.278 -9.208 -12.178 1.00 93.83 36 A 1 ATOM 295 C CA . HIS A 1 36 ? -11.558 -8.773 -11.596 1.00 93.24 36 A 1 ATOM 296 C C . HIS A 1 36 ? -12.731 -8.734 -12.582 1.00 93.49 36 A 1 ATOM 297 O O . HIS A 1 36 ? -13.876 -8.860 -12.152 1.00 92.45 36 A 1 ATOM 298 C CB . HIS A 1 36 ? -11.404 -7.392 -10.946 1.00 92.95 36 A 1 ATOM 299 C CG . HIS A 1 36 ? -11.221 -6.251 -11.925 1.00 93.70 36 A 1 ATOM 300 N ND1 . HIS A 1 36 ? -10.097 -5.995 -12.672 1.00 84.14 36 A 1 ATOM 301 C CD2 . HIS A 1 36 ? -12.133 -5.273 -12.228 1.00 84.27 36 A 1 ATOM 302 C CE1 . HIS A 1 36 ? -10.325 -4.903 -13.424 1.00 86.02 36 A 1 ATOM 303 N NE2 . HIS A 1 36 ? -11.542 -4.411 -13.175 1.00 88.23 36 A 1 ATOM 304 N N . GLU A 1 37 ? -12.466 -8.530 -13.867 1.00 90.66 37 A 1 ATOM 305 C CA . GLU A 1 37 ? -13.506 -8.480 -14.901 1.00 91.47 37 A 1 ATOM 306 C C . GLU A 1 37 ? -14.178 -9.838 -15.116 1.00 91.12 37 A 1 ATOM 307 O O . GLU A 1 37 ? -15.373 -9.886 -15.391 1.00 88.73 37 A 1 ATOM 308 C CB . GLU A 1 37 ? -12.915 -7.967 -16.221 1.00 91.56 37 A 1 ATOM 309 C CG . GLU A 1 37 ? -12.421 -6.523 -16.061 1.00 84.60 37 A 1 ATOM 310 C CD . GLU A 1 37 ? -12.025 -5.850 -17.378 1.00 78.07 37 A 1 ATOM 311 O OE1 . GLU A 1 37 ? -11.971 -4.594 -17.345 1.00 70.04 37 A 1 ATOM 312 O OE2 . GLU A 1 37 ? -11.794 -6.568 -18.369 1.00 70.15 37 A 1 ATOM 313 N N . GLN A 1 38 ? -13.421 -10.915 -14.919 1.00 93.65 38 A 1 ATOM 314 C CA . GLN A 1 38 ? -13.923 -12.289 -15.023 1.00 92.58 38 A 1 ATOM 315 C C . GLN A 1 38 ? -14.559 -12.771 -13.711 1.00 93.19 38 A 1 ATOM 316 O O . GLN A 1 38 ? -15.449 -13.611 -13.727 1.00 91.13 38 A 1 ATOM 317 C CB . GLN A 1 38 ? -12.760 -13.215 -15.410 1.00 91.55 38 A 1 ATOM 318 C CG . GLN A 1 38 ? -12.149 -12.849 -16.778 1.00 82.59 38 A 1 ATOM 319 C CD . GLN A 1 38 ? -10.933 -13.704 -17.140 1.00 79.96 38 A 1 ATOM 320 O OE1 . GLN A 1 38 ? -10.505 -14.592 -16.422 1.00 72.75 38 A 1 ATOM 321 N NE2 . GLN A 1 38 ? -10.309 -13.454 -18.266 1.00 68.92 38 A 1 ATOM 322 N N . LEU A 1 39 ? -14.090 -12.235 -12.573 1.00 91.41 39 A 1 ATOM 323 C CA . LEU A 1 39 ? -14.451 -12.721 -11.237 1.00 90.98 39 A 1 ATOM 324 C C . LEU A 1 39 ? -15.602 -11.956 -10.574 1.00 92.27 39 A 1 ATOM 325 O O . LEU A 1 39 ? -16.204 -12.458 -9.627 1.00 91.18 39 A 1 ATOM 326 C CB . LEU A 1 39 ? -13.195 -12.658 -10.358 1.00 90.76 39 A 1 ATOM 327 C CG . LEU A 1 39 ? -12.075 -13.629 -10.773 1.00 91.03 39 A 1 ATOM 328 C CD1 . LEU A 1 39 ? -10.843 -13.348 -9.910 1.00 86.34 39 A 1 ATOM 329 C CD2 . LEU A 1 39 ? -12.490 -15.088 -10.587 1.00 87.21 39 A 1 ATOM 330 N N . ILE A 1 40 ? -15.879 -10.724 -11.001 1.00 92.41 40 A 1 ATOM 331 C CA . ILE A 1 40 ? -16.962 -9.912 -10.449 1.00 92.38 40 A 1 ATOM 332 C C . ILE A 1 40 ? -18.175 -10.030 -11.364 1.00 92.35 40 A 1 ATOM 333 O O . ILE A 1 40 ? -18.205 -9.449 -12.449 1.00 91.14 40 A 1 ATOM 334 C CB . ILE A 1 40 ? -16.546 -8.442 -10.223 1.00 92.92 40 A 1 ATOM 335 C CG1 . ILE A 1 40 ? -15.349 -8.351 -9.250 1.00 91.63 40 A 1 ATOM 336 C CG2 . ILE A 1 40 ? -17.744 -7.640 -9.674 1.00 90.98 40 A 1 ATOM 337 C CD1 . ILE A 1 40 ? -14.776 -6.936 -9.099 1.00 89.76 40 A 1 ATOM 338 N N . HIS A 1 41 ? -19.199 -10.704 -10.869 1.00 93.02 41 A 1 ATOM 339 C CA . HIS A 1 41 ? -20.491 -10.831 -11.536 1.00 92.36 41 A 1 ATOM 340 C C . HIS A 1 41 ? -21.463 -9.766 -11.035 1.00 93.01 41 A 1 ATOM 341 O O . HIS A 1 41 ? -21.319 -9.231 -9.933 1.00 90.98 41 A 1 ATOM 342 C CB . HIS A 1 41 ? -21.021 -12.253 -11.326 1.00 91.49 41 A 1 ATOM 343 C CG . HIS A 1 41 ? -20.062 -13.299 -11.819 1.00 91.89 41 A 1 ATOM 344 N ND1 . HIS A 1 41 ? -19.827 -13.626 -13.144 1.00 80.32 41 A 1 ATOM 345 C CD2 . HIS A 1 41 ? -19.223 -14.041 -11.035 1.00 80.64 41 A 1 ATOM 346 C CE1 . HIS A 1 41 ? -18.863 -14.557 -13.147 1.00 82.81 41 A 1 ATOM 347 N NE2 . HIS A 1 41 ? -18.471 -14.829 -11.891 1.00 85.08 41 A 1 ATOM 348 N N . GLN A 1 42 ? -22.465 -9.458 -11.848 1.00 91.11 42 A 1 ATOM 349 C CA . GLN A 1 42 ? -23.528 -8.524 -11.500 1.00 90.94 42 A 1 ATOM 350 C C . GLN A 1 42 ? -24.890 -9.190 -11.691 1.00 90.53 42 A 1 ATOM 351 O O . GLN A 1 42 ? -25.206 -9.645 -12.784 1.00 87.61 42 A 1 ATOM 352 C CB . GLN A 1 42 ? -23.379 -7.239 -12.329 1.00 89.31 42 A 1 ATOM 353 C CG . GLN A 1 42 ? -24.409 -6.173 -11.915 1.00 84.91 42 A 1 ATOM 354 C CD . GLN A 1 42 ? -24.238 -4.841 -12.645 1.00 82.78 42 A 1 ATOM 355 O OE1 . GLN A 1 42 ? -23.346 -4.621 -13.455 1.00 77.37 42 A 1 ATOM 356 N NE2 . GLN A 1 42 ? -25.088 -3.879 -12.368 1.00 74.30 42 A 1 ATOM 357 N N . ASP A 1 43 ? -25.691 -9.188 -10.634 1.00 91.42 43 A 1 ATOM 358 C CA . ASP A 1 43 ? -27.095 -9.597 -10.630 1.00 90.73 43 A 1 ATOM 359 C C . ASP A 1 43 ? -27.989 -8.376 -10.349 1.00 91.71 43 A 1 ATOM 360 O O . ASP A 1 43 ? -27.511 -7.291 -10.015 1.00 87.57 43 A 1 ATOM 361 C CB . ASP A 1 43 ? -27.324 -10.694 -9.566 1.00 86.58 43 A 1 ATOM 362 C CG . ASP A 1 43 ? -26.774 -12.082 -9.909 1.00 83.84 43 A 1 ATOM 363 O OD1 . ASP A 1 43 ? -26.437 -12.347 -11.075 1.00 75.18 43 A 1 ATOM 364 O OD2 . ASP A 1 43 ? -26.710 -12.925 -8.975 1.00 78.61 43 A 1 ATOM 365 N N . GLU A 1 44 ? -29.309 -8.570 -10.385 1.00 87.77 44 A 1 ATOM 366 C CA . GLU A 1 44 ? -30.314 -7.540 -10.051 1.00 89.66 44 A 1 ATOM 367 C C . GLU A 1 44 ? -30.137 -6.955 -8.636 1.00 89.92 44 A 1 ATOM 368 O O . GLU A 1 44 ? -30.466 -5.799 -8.383 1.00 85.73 44 A 1 ATOM 369 C CB . GLU A 1 44 ? -31.715 -8.162 -10.165 1.00 87.96 44 A 1 ATOM 370 C CG . GLU A 1 44 ? -32.040 -8.618 -11.599 1.00 80.07 44 A 1 ATOM 371 C CD . GLU A 1 44 ? -33.421 -9.281 -11.732 1.00 74.29 44 A 1 ATOM 372 O OE1 . GLU A 1 44 ? -33.775 -9.615 -12.889 1.00 66.80 44 A 1 ATOM 373 O OE2 . GLU A 1 44 ? -34.084 -9.485 -10.693 1.00 67.97 44 A 1 ATOM 374 N N . ILE A 1 45 ? -29.565 -7.747 -7.718 1.00 89.45 45 A 1 ATOM 375 C CA . ILE A 1 45 ? -29.351 -7.376 -6.311 1.00 89.61 45 A 1 ATOM 376 C C . ILE A 1 45 ? -28.018 -6.619 -6.102 1.00 90.24 45 A 1 ATOM 377 O O . ILE A 1 45 ? -27.834 -5.943 -5.094 1.00 84.51 45 A 1 ATOM 378 C CB . ILE A 1 45 ? -29.469 -8.651 -5.435 1.00 87.90 45 A 1 ATOM 379 C CG1 . ILE A 1 45 ? -30.835 -9.356 -5.647 1.00 85.13 45 A 1 ATOM 380 C CG2 . ILE A 1 45 ? -29.278 -8.338 -3.939 1.00 82.76 45 A 1 ATOM 381 C CD1 . ILE A 1 45 ? -30.924 -10.766 -5.040 1.00 76.90 45 A 1 ATOM 382 N N . GLY A 1 46 ? -27.059 -6.719 -7.036 1.00 90.44 46 A 1 ATOM 383 C CA . GLY A 1 46 ? -25.761 -6.053 -6.951 1.00 90.81 46 A 1 ATOM 384 C C . GLY A 1 46 ? -24.595 -6.891 -7.471 1.00 92.07 46 A 1 ATOM 385 O O . GLY A 1 46 ? -24.763 -7.781 -8.299 1.00 89.37 46 A 1 ATOM 386 N N . PHE A 1 47 ? -23.385 -6.594 -6.999 1.00 91.86 47 A 1 ATOM 387 C CA . PHE A 1 47 ? -22.159 -7.280 -7.406 1.00 92.15 47 A 1 ATOM 388 C C . PHE A 1 47 ? -21.857 -8.460 -6.484 1.00 93.03 47 A 1 ATOM 389 O O . PHE A 1 47 ? -22.045 -8.370 -5.275 1.00 91.07 47 A 1 ATOM 390 C CB . PHE A 1 47 ? -20.985 -6.297 -7.442 1.00 91.44 47 A 1 ATOM 391 C CG . PHE A 1 47 ? -21.194 -5.154 -8.411 1.00 92.77 47 A 1 ATOM 392 C CD1 . PHE A 1 47 ? -20.928 -5.338 -9.782 1.00 87.86 47 A 1 ATOM 393 C CD2 . PHE A 1 47 ? -21.712 -3.927 -7.955 1.00 88.78 47 A 1 ATOM 394 C CE1 . PHE A 1 47 ? -21.187 -4.302 -10.695 1.00 86.75 47 A 1 ATOM 395 C CE2 . PHE A 1 47 ? -21.975 -2.891 -8.869 1.00 87.32 47 A 1 ATOM 396 C CZ . PHE A 1 47 ? -21.716 -3.081 -10.240 1.00 89.88 47 A 1 ATOM 397 N N . TYR A 1 48 ? -21.326 -9.551 -7.041 1.00 92.73 48 A 1 ATOM 398 C CA . TYR A 1 48 ? -20.896 -10.693 -6.245 1.00 92.59 48 A 1 ATOM 399 C C . TYR A 1 48 ? -19.635 -11.350 -6.804 1.00 93.06 48 A 1 ATOM 400 O O . TYR A 1 48 ? -19.293 -11.200 -7.977 1.00 92.54 48 A 1 ATOM 401 C CB . TYR A 1 48 ? -22.046 -11.695 -6.075 1.00 91.59 48 A 1 ATOM 402 C CG . TYR A 1 48 ? -22.442 -12.421 -7.344 1.00 91.15 48 A 1 ATOM 403 C CD1 . TYR A 1 48 ? -23.371 -11.838 -8.225 1.00 88.23 48 A 1 ATOM 404 C CD2 . TYR A 1 48 ? -21.885 -13.677 -7.643 1.00 87.78 48 A 1 ATOM 405 C CE1 . TYR A 1 48 ? -23.746 -12.510 -9.401 1.00 85.05 48 A 1 ATOM 406 C CE2 . TYR A 1 48 ? -22.258 -14.355 -8.820 1.00 85.74 48 A 1 ATOM 407 C CZ . TYR A 1 48 ? -23.191 -13.774 -9.700 1.00 87.21 48 A 1 ATOM 408 O OH . TYR A 1 48 ? -23.563 -14.428 -10.832 1.00 85.08 48 A 1 ATOM 409 N N . ILE A 1 49 ? -18.936 -12.073 -5.929 1.00 92.11 49 A 1 ATOM 410 C CA . ILE A 1 49 ? -17.746 -12.866 -6.241 1.00 91.44 49 A 1 ATOM 411 C C . ILE A 1 49 ? -18.004 -14.287 -5.755 1.00 91.64 49 A 1 ATOM 412 O O . ILE A 1 49 ? -18.514 -14.475 -4.652 1.00 89.98 49 A 1 ATOM 413 C CB . ILE A 1 49 ? -16.496 -12.273 -5.556 1.00 91.09 49 A 1 ATOM 414 C CG1 . ILE A 1 49 ? -16.206 -10.832 -6.028 1.00 88.71 49 A 1 ATOM 415 C CG2 . ILE A 1 49 ? -15.264 -13.166 -5.797 1.00 88.58 49 A 1 ATOM 416 C CD1 . ILE A 1 49 ? -15.195 -10.104 -5.136 1.00 87.15 49 A 1 ATOM 417 N N . VAL A 1 50 ? -17.600 -15.286 -6.541 1.00 91.98 50 A 1 ATOM 418 C CA . VAL A 1 50 ? -17.672 -16.701 -6.159 1.00 92.21 50 A 1 ATOM 419 C C . VAL A 1 50 ? -16.267 -17.190 -5.813 1.00 93.21 50 A 1 ATOM 420 O O . VAL A 1 50 ? -15.375 -17.207 -6.660 1.00 92.45 50 A 1 ATOM 421 C CB . VAL A 1 50 ? -18.318 -17.535 -7.276 1.00 91.08 50 A 1 ATOM 422 C CG1 . VAL A 1 50 ? -18.438 -19.002 -6.861 1.00 85.99 50 A 1 ATOM 423 C CG2 . VAL A 1 50 ? -19.727 -17.019 -7.591 1.00 86.52 50 A 1 ATOM 424 N N . GLU A 1 51 ? -16.056 -17.600 -4.562 1.00 91.32 51 A 1 ATOM 425 C CA . GLU A 1 51 ? -14.729 -18.007 -4.064 1.00 90.44 51 A 1 ATOM 426 C C . GLU A 1 51 ? -14.117 -19.159 -4.880 1.00 91.15 51 A 1 ATOM 427 O O . GLU A 1 51 ? -12.920 -19.149 -5.173 1.00 90.21 51 A 1 ATOM 428 C CB . GLU A 1 51 ? -14.851 -18.351 -2.570 1.00 88.63 51 A 1 ATOM 429 C CG . GLU A 1 51 ? -13.538 -18.843 -1.930 1.00 82.21 51 A 1 ATOM 430 C CD . GLU A 1 51 ? -13.486 -18.647 -0.407 1.00 80.45 51 A 1 ATOM 431 O OE1 . GLU A 1 51 ? -12.356 -18.494 0.125 1.00 73.43 51 A 1 ATOM 432 O OE2 . GLU A 1 51 ? -14.534 -18.481 0.244 1.00 75.12 51 A 1 ATOM 433 N N . LYS A 1 52 ? -14.929 -20.117 -5.312 1.00 92.32 52 A 1 ATOM 434 C CA . LYS A 1 52 ? -14.495 -21.257 -6.134 1.00 92.04 52 A 1 ATOM 435 C C . LYS A 1 52 ? -13.891 -20.817 -7.468 1.00 93.11 52 A 1 ATOM 436 O O . LYS A 1 52 ? -12.876 -21.374 -7.880 1.00 91.84 52 A 1 ATOM 437 C CB . LYS A 1 52 ? -15.675 -22.215 -6.361 1.00 90.37 52 A 1 ATOM 438 C CG . LYS A 1 52 ? -16.120 -22.909 -5.062 1.00 82.32 52 A 1 ATOM 439 C CD . LYS A 1 52 ? -17.403 -23.725 -5.266 1.00 77.17 52 A 1 ATOM 440 C CE . LYS A 1 52 ? -17.869 -24.301 -3.923 1.00 69.42 52 A 1 ATOM 441 N NZ . LYS A 1 52 ? -19.328 -24.574 -3.891 1.00 62.13 52 A 1 ATOM 442 N N . GLU A 1 53 ? -14.459 -19.806 -8.100 1.00 91.40 53 A 1 ATOM 443 C CA . GLU A 1 53 ? -13.945 -19.259 -9.363 1.00 91.37 53 A 1 ATOM 444 C C . GLU A 1 53 ? -12.633 -18.510 -9.158 1.00 92.63 53 A 1 ATOM 445 O O . GLU A 1 53 ? -11.693 -18.698 -9.925 1.00 91.20 53 A 1 ATOM 446 C CB . GLU A 1 53 ? -14.961 -18.315 -9.996 1.00 90.59 53 A 1 ATOM 447 C CG . GLU A 1 53 ? -16.233 -19.062 -10.399 1.00 84.89 53 A 1 ATOM 448 C CD . GLU A 1 53 ? -17.180 -18.172 -11.199 1.00 82.98 53 A 1 ATOM 449 O OE1 . GLU A 1 53 ? -17.942 -18.760 -11.992 1.00 74.80 53 A 1 ATOM 450 O OE2 . GLU A 1 53 ? -17.182 -16.946 -10.975 1.00 76.81 53 A 1 ATOM 451 N N . VAL A 1 54 ? -12.522 -17.733 -8.082 1.00 91.73 54 A 1 ATOM 452 C CA . VAL A 1 54 ? -11.268 -17.046 -7.736 1.00 91.20 54 A 1 ATOM 453 C C . VAL A 1 54 ? -10.141 -18.056 -7.532 1.00 92.00 54 A 1 ATOM 454 O O . VAL A 1 54 ? -9.045 -17.889 -8.071 1.00 91.52 54 A 1 ATOM 455 C CB . VAL A 1 54 ? -11.425 -16.171 -6.479 1.00 91.36 54 A 1 ATOM 456 C CG1 . VAL A 1 54 ? -10.118 -15.416 -6.193 1.00 87.25 54 A 1 ATOM 457 C CG2 . VAL A 1 54 ? -12.533 -15.127 -6.618 1.00 87.27 54 A 1 ATOM 458 N N . LEU A 1 55 ? -10.397 -19.131 -6.785 1.00 92.72 55 A 1 ATOM 459 C CA . LEU A 1 55 ? -9.413 -20.188 -6.557 1.00 92.19 55 A 1 ATOM 460 C C . LEU A 1 55 ? -9.039 -20.919 -7.850 1.00 92.47 55 A 1 ATOM 461 O O . LEU A 1 55 ? -7.881 -21.306 -8.004 1.00 91.68 55 A 1 ATOM 462 C CB . LEU A 1 55 ? -9.956 -21.179 -5.517 1.00 91.89 55 A 1 ATOM 463 C CG . LEU A 1 55 ? -10.054 -20.618 -4.083 1.00 87.31 55 A 1 ATOM 464 C CD1 . LEU A 1 55 ? -10.714 -21.664 -3.186 1.00 80.73 55 A 1 ATOM 465 C CD2 . LEU A 1 55 ? -8.683 -20.270 -3.497 1.00 79.71 55 A 1 ATOM 466 N N . GLN A 1 56 ? -9.978 -21.095 -8.770 1.00 94.51 56 A 1 ATOM 467 C CA . GLN A 1 56 ? -9.707 -21.699 -10.074 1.00 94.19 56 A 1 ATOM 468 C C . GLN A 1 56 ? -8.774 -20.818 -10.912 1.00 94.22 56 A 1 ATOM 469 O O . GLN A 1 56 ? -7.720 -21.289 -11.327 1.00 93.80 56 A 1 ATOM 470 C CB . GLN A 1 56 ? -11.034 -22.009 -10.784 1.00 94.11 56 A 1 ATOM 471 C CG . GLN A 1 56 ? -10.823 -22.820 -12.066 1.00 85.53 56 A 1 ATOM 472 C CD . GLN A 1 56 ? -10.077 -24.131 -11.821 1.00 81.88 56 A 1 ATOM 473 O OE1 . GLN A 1 56 ? -10.286 -24.834 -10.837 1.00 76.14 56 A 1 ATOM 474 N NE2 . GLN A 1 56 ? -9.161 -24.483 -12.682 1.00 70.29 56 A 1 ATOM 475 N N . VAL A 1 57 ? -9.073 -19.530 -11.043 1.00 93.17 57 A 1 ATOM 476 C CA . VAL A 1 57 ? -8.219 -18.569 -11.770 1.00 91.53 57 A 1 ATOM 477 C C . VAL A 1 57 ? -6.812 -18.501 -11.170 1.00 91.99 57 A 1 ATOM 478 O O . VAL A 1 57 ? -5.821 -18.472 -11.901 1.00 90.62 57 A 1 ATOM 479 C CB . VAL A 1 57 ? -8.882 -17.177 -11.791 1.00 91.64 57 A 1 ATOM 480 C CG1 . VAL A 1 57 ? -7.961 -16.086 -12.354 1.00 87.03 57 A 1 ATOM 481 C CG2 . VAL A 1 57 ? -10.147 -17.208 -12.660 1.00 87.19 57 A 1 ATOM 482 N N . LEU A 1 58 ? -6.682 -18.545 -9.843 1.00 94.10 58 A 1 ATOM 483 C CA . LEU A 1 58 ? -5.375 -18.574 -9.180 1.00 92.42 58 A 1 ATOM 484 C C . LEU A 1 58 ? -4.592 -19.863 -9.467 1.00 92.94 58 A 1 ATOM 485 O O . LEU A 1 58 ? -3.371 -19.808 -9.635 1.00 91.86 58 A 1 ATOM 486 C CB . LEU A 1 58 ? -5.562 -18.395 -7.666 1.00 92.24 58 A 1 ATOM 487 C CG . LEU A 1 58 ? -5.987 -16.978 -7.244 1.00 87.96 58 A 1 ATOM 488 C CD1 . LEU A 1 58 ? -6.298 -16.987 -5.747 1.00 80.55 58 A 1 ATOM 489 C CD2 . LEU A 1 58 ? -4.890 -15.939 -7.490 1.00 80.21 58 A 1 ATOM 490 N N . ARG A 1 59 ? -5.256 -21.018 -9.528 1.00 94.03 59 A 1 ATOM 491 C CA . ARG A 1 59 ? -4.614 -22.286 -9.916 1.00 93.33 59 A 1 ATOM 492 C C . ARG A 1 59 ? -4.153 -22.252 -11.365 1.00 93.52 59 A 1 ATOM 493 O O . ARG A 1 59 ? -3.020 -22.634 -11.635 1.00 93.41 59 A 1 ATOM 494 C CB . ARG A 1 59 ? -5.572 -23.466 -9.730 1.00 93.48 59 A 1 ATOM 495 C CG . ARG A 1 59 ? -5.776 -23.852 -8.260 1.00 84.49 59 A 1 ATOM 496 C CD . ARG A 1 59 ? -6.845 -24.946 -8.214 1.00 80.79 59 A 1 ATOM 497 N NE . ARG A 1 59 ? -7.387 -25.154 -6.861 1.00 70.37 59 A 1 ATOM 498 C CZ . ARG A 1 59 ? -8.593 -25.612 -6.586 1.00 65.30 59 A 1 ATOM 499 N NH1 . ARG A 1 59 ? -9.428 -25.984 -7.529 1.00 58.07 59 A 1 ATOM 500 N NH2 . ARG A 1 59 ? -8.994 -25.707 -5.353 1.00 57.66 59 A 1 ATOM 501 N N . ASP A 1 60 ? -4.989 -21.771 -12.262 1.00 93.06 60 A 1 ATOM 502 C CA . ASP A 1 60 ? -4.679 -21.702 -13.689 1.00 91.91 60 A 1 ATOM 503 C C . ASP A 1 60 ? -3.524 -20.728 -13.952 1.00 91.69 60 A 1 ATOM 504 O O . ASP A 1 60 ? -2.578 -21.061 -14.666 1.00 89.81 60 A 1 ATOM 505 C CB . ASP A 1 60 ? -5.951 -21.340 -14.476 1.00 90.64 60 A 1 ATOM 506 C CG . ASP A 1 60 ? -7.036 -22.422 -14.352 1.00 88.36 60 A 1 ATOM 507 O OD1 . ASP A 1 60 ? -6.692 -23.607 -14.129 1.00 80.64 60 A 1 ATOM 508 O OD2 . ASP A 1 60 ? -8.234 -22.078 -14.427 1.00 82.45 60 A 1 ATOM 509 N N . HIS A 1 61 ? -3.509 -19.595 -13.272 1.00 93.24 61 A 1 ATOM 510 C CA . HIS A 1 61 ? -2.396 -18.649 -13.330 1.00 91.11 61 A 1 ATOM 511 C C . HIS A 1 61 ? -1.097 -19.240 -12.759 1.00 91.45 61 A 1 ATOM 512 O O . HIS A 1 61 ? -0.026 -19.070 -13.340 1.00 90.03 61 A 1 ATOM 513 C CB . HIS A 1 61 ? -2.795 -17.367 -12.596 1.00 90.32 61 A 1 ATOM 514 C CG . HIS A 1 61 ? -1.811 -16.248 -12.797 1.00 82.84 61 A 1 ATOM 515 N ND1 . HIS A 1 61 ? -0.672 -16.018 -12.068 1.00 70.23 61 A 1 ATOM 516 C CD2 . HIS A 1 61 ? -1.875 -15.270 -13.756 1.00 70.24 61 A 1 ATOM 517 C CE1 . HIS A 1 61 ? -0.068 -14.922 -12.579 1.00 70.08 61 A 1 ATOM 518 N NE2 . HIS A 1 61 ? -0.772 -14.435 -13.606 1.00 72.63 61 A 1 ATOM 519 N N . LYS A 1 62 ? -1.160 -19.980 -11.647 1.00 89.98 62 A 1 ATOM 520 C CA . LYS A 1 62 ? 0.008 -20.678 -11.085 1.00 89.33 62 A 1 ATOM 521 C C . LYS A 1 62 ? 0.523 -21.780 -12.017 1.00 89.07 62 A 1 ATOM 522 O O . LYS A 1 62 ? 1.733 -21.960 -12.126 1.00 89.33 62 A 1 ATOM 523 C CB . LYS A 1 62 ? -0.344 -21.216 -9.692 1.00 88.27 62 A 1 ATOM 524 C CG . LYS A 1 62 ? 0.890 -21.777 -8.974 1.00 77.04 62 A 1 ATOM 525 C CD . LYS A 1 62 ? 0.553 -22.237 -7.553 1.00 72.36 62 A 1 ATOM 526 C CE . LYS A 1 62 ? 1.828 -22.772 -6.890 1.00 65.19 62 A 1 ATOM 527 N NZ . LYS A 1 62 ? 1.585 -23.239 -5.503 1.00 56.35 62 A 1 ATOM 528 N N . LYS A 1 63 ? -0.370 -22.494 -12.692 1.00 90.64 63 A 1 ATOM 529 C CA . LYS A 1 63 ? -0.022 -23.520 -13.685 1.00 90.69 63 A 1 ATOM 530 C C . LYS A 1 63 ? 0.613 -22.906 -14.936 1.00 89.93 63 A 1 ATOM 531 O O . LYS A 1 63 ? 1.573 -23.464 -15.451 1.00 87.62 63 A 1 ATOM 532 C CB . LYS A 1 63 ? -1.280 -24.336 -14.007 1.00 88.81 63 A 1 ATOM 533 C CG . LYS A 1 63 ? -0.970 -25.581 -14.847 1.00 78.00 63 A 1 ATOM 534 C CD . LYS A 1 63 ? -2.250 -26.382 -15.117 1.00 72.52 63 A 1 ATOM 535 C CE . LYS A 1 63 ? -1.926 -27.617 -15.965 1.00 65.88 63 A 1 ATOM 536 N NZ . LYS A 1 63 ? -3.155 -28.365 -16.329 1.00 56.62 63 A 1 ATOM 537 N N . ALA A 1 64 ? 0.143 -21.752 -15.380 1.00 92.09 64 A 1 ATOM 538 C CA . ALA A 1 64 ? 0.716 -21.010 -16.504 1.00 90.58 64 A 1 ATOM 539 C C . ALA A 1 64 ? 2.098 -20.398 -16.194 1.00 89.56 64 A 1 ATOM 540 O O . ALA A 1 64 ? 2.904 -20.211 -17.099 1.00 84.52 64 A 1 ATOM 541 C CB . ALA A 1 64 ? -0.288 -19.932 -16.920 1.00 88.54 64 A 1 ATOM 542 N N . GLN A 1 65 ? 2.387 -20.099 -14.923 1.00 88.85 65 A 1 ATOM 543 C CA . GLN A 1 65 ? 3.697 -19.600 -14.476 1.00 86.15 65 A 1 ATOM 544 C C . GLN A 1 65 ? 4.716 -20.700 -14.141 1.00 84.04 65 A 1 ATOM 545 O O . GLN A 1 65 ? 5.877 -20.382 -13.894 1.00 82.41 65 A 1 ATOM 546 C CB . GLN A 1 65 ? 3.524 -18.673 -13.272 1.00 84.17 65 A 1 ATOM 547 C CG . GLN A 1 65 ? 2.966 -17.303 -13.677 1.00 72.20 65 A 1 ATOM 548 C CD . GLN A 1 65 ? 3.042 -16.283 -12.544 1.00 66.34 65 A 1 ATOM 549 O OE1 . GLN A 1 65 ? 3.290 -16.588 -11.389 1.00 62.40 65 A 1 ATOM 550 N NE2 . GLN A 1 65 ? 2.848 -15.018 -12.834 1.00 56.03 65 A 1 ATOM 551 N N . GLN A 1 66 ? 4.324 -21.968 -14.110 1.00 80.83 66 A 1 ATOM 552 C CA . GLN A 1 66 ? 5.282 -23.074 -14.060 1.00 77.55 66 A 1 ATOM 553 C C . GLN A 1 66 ? 5.700 -23.399 -15.502 1.00 71.81 66 A 1 ATOM 554 O O . GLN A 1 66 ? 4.920 -24.036 -16.212 1.00 71.74 66 A 1 ATOM 555 C CB . GLN A 1 66 ? 4.677 -24.300 -13.344 1.00 74.08 66 A 1 ATOM 556 C CG . GLN A 1 66 ? 4.786 -24.155 -11.822 1.00 63.72 66 A 1 ATOM 557 C CD . GLN A 1 66 ? 4.274 -25.370 -11.049 1.00 59.20 66 A 1 ATOM 558 O OE1 . GLN A 1 66 ? 3.423 -26.130 -11.473 1.00 57.10 66 A 1 ATOM 559 N NE2 . GLN A 1 66 ? 4.766 -25.600 -9.855 1.00 50.60 66 A 1 ATOM 560 N N . PRO A 1 67 ? 6.899 -22.995 -15.972 1.00 71.31 67 A 1 ATOM 561 C CA . PRO A 1 67 ? 7.474 -23.657 -17.127 1.00 71.30 67 A 1 ATOM 562 C C . PRO A 1 67 ? 7.604 -25.136 -16.758 1.00 70.36 67 A 1 ATOM 563 O O . PRO A 1 67 ? 8.027 -25.463 -15.646 1.00 65.62 67 A 1 ATOM 564 C CB . PRO A 1 67 ? 8.822 -22.971 -17.377 1.00 67.08 67 A 1 ATOM 565 C CG . PRO A 1 67 ? 9.222 -22.454 -15.995 1.00 64.16 67 A 1 ATOM 566 C CD . PRO A 1 67 ? 7.881 -22.169 -15.308 1.00 69.01 67 A 1 ATOM 567 N N . GLU A 1 68 ? 7.188 -26.032 -17.655 1.00 59.50 68 A 1 ATOM 568 C CA . GLU A 1 68 ? 7.414 -27.467 -17.524 1.00 59.42 68 A 1 ATOM 569 C C . GLU A 1 68 ? 8.874 -27.703 -17.119 1.00 54.48 68 A 1 ATOM 570 O O . GLU A 1 68 ? 9.788 -27.566 -17.936 1.00 53.57 68 A 1 ATOM 571 C CB . GLU A 1 68 ? 7.127 -28.183 -18.856 1.00 57.72 68 A 1 ATOM 572 C CG . GLU A 1 68 ? 5.634 -28.320 -19.189 1.00 51.29 68 A 1 ATOM 573 C CD . GLU A 1 68 ? 5.429 -29.066 -20.522 1.00 47.48 68 A 1 ATOM 574 O OE1 . GLU A 1 68 ? 4.586 -29.989 -20.550 1.00 45.97 68 A 1 ATOM 575 O OE2 . GLU A 1 68 ? 6.123 -28.711 -21.500 1.00 44.86 68 A 1 ATOM 576 N N . GLN A 1 69 ? 9.111 -28.053 -15.852 1.00 49.24 69 A 1 ATOM 577 C CA . GLN A 1 69 ? 10.337 -28.731 -15.458 1.00 51.32 69 A 1 ATOM 578 C C . GLN A 1 69 ? 10.295 -30.105 -16.124 1.00 49.48 69 A 1 ATOM 579 O O . GLN A 1 69 ? 9.811 -31.089 -15.570 1.00 49.42 69 A 1 ATOM 580 C CB . GLN A 1 69 ? 10.491 -28.809 -13.930 1.00 49.85 69 A 1 ATOM 581 C CG . GLN A 1 69 ? 11.352 -27.659 -13.385 1.00 45.91 69 A 1 ATOM 582 C CD . GLN A 1 69 ? 11.604 -27.766 -11.883 1.00 42.82 69 A 1 ATOM 583 O OE1 . GLN A 1 69 ? 10.925 -28.460 -11.144 1.00 41.45 69 A 1 ATOM 584 N NE2 . GLN A 1 69 ? 12.587 -27.077 -11.357 1.00 38.37 69 A 1 ATOM 585 N N . LYS A 1 70 ? 10.775 -30.137 -17.353 1.00 45.64 70 A 1 ATOM 586 C CA . LYS A 1 70 ? 11.171 -31.344 -18.051 1.00 52.56 70 A 1 ATOM 587 C C . LYS A 1 70 ? 12.258 -31.979 -17.188 1.00 49.93 70 A 1 ATOM 588 O O . LYS A 1 70 ? 13.362 -31.451 -17.092 1.00 47.94 70 A 1 ATOM 589 C CB . LYS A 1 70 ? 11.640 -30.956 -19.463 1.00 49.63 70 A 1 ATOM 590 C CG . LYS A 1 70 ? 11.359 -32.036 -20.505 1.00 45.16 70 A 1 ATOM 591 C CD . LYS A 1 70 ? 11.759 -31.527 -21.898 1.00 41.68 70 A 1 ATOM 592 C CE . LYS A 1 70 ? 11.298 -32.497 -22.989 1.00 37.00 70 A 1 ATOM 593 N NZ . LYS A 1 70 ? 11.642 -32.003 -24.344 1.00 32.15 70 A 1 ATOM 594 N N . VAL A 1 71 ? 11.901 -33.045 -16.500 1.00 36.48 71 A 1 ATOM 595 C CA . VAL A 1 71 ? 12.804 -33.892 -15.719 1.00 45.36 71 A 1 ATOM 596 C C . VAL A 1 71 ? 13.923 -34.370 -16.654 1.00 43.03 71 A 1 ATOM 597 O O . VAL A 1 71 ? 13.606 -35.053 -17.634 1.00 40.33 71 A 1 ATOM 598 C CB . VAL A 1 71 ? 12.016 -35.103 -15.163 1.00 41.83 71 A 1 ATOM 599 C CG1 . VAL A 1 71 ? 12.901 -36.034 -14.325 1.00 37.75 71 A 1 ATOM 600 C CG2 . VAL A 1 71 ? 10.840 -34.657 -14.279 1.00 39.25 71 A 1 ATOM 601 N N . PRO A 1 72 ? 15.206 -34.075 -16.396 1.00 36.67 72 A 1 ATOM 602 C CA . PRO A 1 72 ? 16.281 -34.855 -16.976 1.00 47.53 72 A 1 ATOM 603 C C . PRO A 1 72 ? 16.600 -36.009 -16.010 1.00 48.45 72 A 1 ATOM 604 O O . PRO A 1 72 ? 16.892 -35.802 -14.834 1.00 46.44 72 A 1 ATOM 605 C CB . PRO A 1 72 ? 17.447 -33.890 -17.201 1.00 43.71 72 A 1 ATOM 606 C CG . PRO A 1 72 ? 17.115 -32.664 -16.349 1.00 43.74 72 A 1 ATOM 607 C CD . PRO A 1 72 ? 15.797 -32.977 -15.641 1.00 48.32 72 A 1 ATOM 608 N N . ALA A 1 73 ? 16.531 -37.228 -16.538 1.00 31.91 73 A 1 ATOM 609 C CA . ALA A 1 73 ? 17.081 -38.430 -15.919 1.00 44.52 73 A 1 ATOM 610 C C . ALA A 1 73 ? 18.603 -38.281 -15.657 1.00 43.82 73 A 1 ATOM 611 O O . ALA A 1 73 ? 19.266 -37.484 -16.329 1.00 41.92 73 A 1 ATOM 612 C CB . ALA A 1 73 ? 16.771 -39.607 -16.852 1.00 42.74 73 A 1 ATOM 613 N N . PRO A 1 74 ? 19.175 -39.024 -14.686 1.00 30.19 74 A 1 ATOM 614 C CA . PRO A 1 74 ? 20.524 -38.781 -14.192 1.00 41.55 74 A 1 ATOM 615 C C . PRO A 1 74 ? 21.576 -39.445 -15.085 1.00 41.71 74 A 1 ATOM 616 O O . PRO A 1 74 ? 21.502 -40.648 -15.331 1.00 39.80 74 A 1 ATOM 617 C CB . PRO A 1 74 ? 20.522 -39.373 -12.778 1.00 39.05 74 A 1 ATOM 618 C CG . PRO A 1 74 ? 19.566 -40.563 -12.889 1.00 39.84 74 A 1 ATOM 619 C CD . PRO A 1 74 ? 18.564 -40.122 -13.956 1.00 44.87 74 A 1 ATOM 620 N N . THR A 1 75 ? 22.604 -38.701 -15.488 1.00 31.05 75 A 1 ATOM 621 C CA . THR A 1 75 ? 23.857 -39.301 -15.981 1.00 44.45 75 A 1 ATOM 622 C C . THR A 1 75 ? 25.060 -38.410 -15.635 1.00 43.75 75 A 1 ATOM 623 O O . THR A 1 75 ? 25.119 -37.250 -16.022 1.00 40.50 75 A 1 ATOM 624 C CB . THR A 1 75 ? 23.822 -39.638 -17.483 1.00 41.19 75 A 1 ATOM 625 O OG1 . THR A 1 75 ? 22.833 -40.612 -17.727 1.00 36.55 75 A 1 ATOM 626 C CG2 . THR A 1 75 ? 25.123 -40.262 -17.995 1.00 37.17 75 A 1 ATOM 627 N N . ALA A 1 76 ? 25.947 -38.997 -14.853 1.00 23.84 76 A 1 ATOM 628 C CA . ALA A 1 76 ? 27.382 -38.785 -14.602 1.00 40.15 76 A 1 ATOM 629 C C . ALA A 1 76 ? 28.073 -37.424 -14.892 1.00 40.07 76 A 1 ATOM 630 O O . ALA A 1 76 ? 28.045 -36.883 -15.989 1.00 37.31 76 A 1 ATOM 631 C CB . ALA A 1 76 ? 28.113 -39.934 -15.302 1.00 38.41 76 A 1 ATOM 632 N N . ALA A 1 77 ? 28.817 -36.972 -13.881 1.00 25.00 77 A 1 ATOM 633 C CA . ALA A 1 77 ? 29.874 -35.943 -13.888 1.00 40.14 77 A 1 ATOM 634 C C . ALA A 1 77 ? 31.168 -36.423 -14.613 1.00 38.57 77 A 1 ATOM 635 O O . ALA A 1 77 ? 31.187 -37.572 -15.056 1.00 36.43 77 A 1 ATOM 636 C CB . ALA A 1 77 ? 30.134 -35.688 -12.393 1.00 38.16 77 A 1 ATOM 637 N N . PRO A 1 78 ? 32.322 -35.686 -14.602 1.00 26.95 78 A 1 ATOM 638 C CA . PRO A 1 78 ? 32.615 -34.256 -14.341 1.00 38.81 78 A 1 ATOM 639 C C . PRO A 1 78 ? 33.544 -33.621 -15.415 1.00 38.72 78 A 1 ATOM 640 O O . PRO A 1 78 ? 34.183 -34.331 -16.178 1.00 37.08 78 A 1 ATOM 641 C CB . PRO A 1 78 ? 33.389 -34.299 -13.013 1.00 36.38 78 A 1 ATOM 642 C CG . PRO A 1 78 ? 34.169 -35.624 -13.084 1.00 36.88 78 A 1 ATOM 643 C CD . PRO A 1 78 ? 33.533 -36.416 -14.229 1.00 42.22 78 A 1 ATOM 644 N N . ALA A 1 79 ? 33.728 -32.274 -15.410 1.00 24.64 79 A 1 ATOM 645 C CA . ALA A 1 79 ? 35.042 -31.587 -15.439 1.00 37.16 79 A 1 ATOM 646 C C . ALA A 1 79 ? 34.960 -30.121 -15.931 1.00 35.93 79 A 1 ATOM 647 O O . ALA A 1 79 ? 34.427 -29.834 -16.995 1.00 33.91 79 A 1 ATOM 648 C CB . ALA A 1 79 ? 36.115 -32.323 -16.262 1.00 35.25 79 A 1 ATOM 649 N N . SER A 1 80 ? 35.587 -29.235 -15.132 1.00 25.44 80 A 1 ATOM 650 C CA . SER A 1 80 ? 36.395 -28.053 -15.492 1.00 37.63 80 A 1 ATOM 651 C C . SER A 1 80 ? 35.859 -27.019 -16.503 1.00 37.41 80 A 1 ATOM 652 O O . SER A 1 80 ? 35.874 -27.225 -17.707 1.00 34.99 80 A 1 ATOM 653 C CB . SER A 1 80 ? 37.776 -28.546 -15.949 1.00 35.73 80 A 1 ATOM 654 O OG . SER A 1 80 ? 38.351 -29.367 -14.946 1.00 32.27 80 A 1 ATOM 655 N N . SER A 1 81 ? 35.606 -25.795 -16.055 1.00 29.08 81 A 1 ATOM 656 C CA . SER A 1 81 ? 36.630 -24.732 -15.995 1.00 37.52 81 A 1 ATOM 657 C C . SER A 1 81 ? 36.013 -23.367 -15.648 1.00 35.97 81 A 1 ATOM 658 O O . SER A 1 81 ? 34.967 -22.961 -16.139 1.00 34.26 81 A 1 ATOM 659 C CB . SER A 1 81 ? 37.484 -24.606 -17.267 1.00 36.62 81 A 1 ATOM 660 O OG . SER A 1 81 ? 36.718 -24.712 -18.436 1.00 33.55 81 A 1 ATOM 661 N N . VAL A 1 82 ? 36.707 -22.673 -14.745 1.00 29.40 82 A 1 ATOM 662 C CA . VAL A 1 82 ? 36.464 -21.299 -14.307 1.00 38.84 82 A 1 ATOM 663 C C . VAL A 1 82 ? 36.763 -20.340 -15.461 1.00 37.39 82 A 1 ATOM 664 O O . VAL A 1 82 ? 37.865 -20.365 -16.005 1.00 36.12 82 A 1 ATOM 665 C CB . VAL A 1 82 ? 37.394 -21.016 -13.105 1.00 37.42 82 A 1 ATOM 666 C CG1 . VAL A 1 82 ? 37.392 -19.552 -12.653 1.00 33.68 82 A 1 ATOM 667 C CG2 . VAL A 1 82 ? 37.000 -21.884 -11.898 1.00 37.24 82 A 1 ATOM 668 N N . SER A 1 83 ? 35.834 -19.440 -15.780 1.00 33.46 83 A 1 ATOM 669 C CA . SER A 1 83 ? 36.149 -18.188 -16.475 1.00 41.11 83 A 1 ATOM 670 C C . SER A 1 83 ? 35.354 -17.042 -15.860 1.00 39.25 83 A 1 ATOM 671 O O . SER A 1 83 ? 34.147 -16.896 -16.029 1.00 37.98 83 A 1 ATOM 672 C CB . SER A 1 83 ? 35.949 -18.294 -17.986 1.00 40.53 83 A 1 ATOM 673 O OG . SER A 1 83 ? 37.085 -18.923 -18.542 1.00 37.81 83 A 1 ATOM 674 N N . VAL A 1 84 ? 36.094 -16.246 -15.089 1.00 33.03 84 A 1 ATOM 675 C CA . VAL A 1 84 ? 35.697 -14.960 -14.522 1.00 41.44 84 A 1 ATOM 676 C C . VAL A 1 84 ? 35.566 -13.960 -15.673 1.00 40.67 84 A 1 ATOM 677 O O . VAL A 1 84 ? 36.568 -13.527 -16.229 1.00 40.00 84 A 1 ATOM 678 C CB . VAL A 1 84 ? 36.779 -14.514 -13.511 1.00 40.08 84 A 1 ATOM 679 C CG1 . VAL A 1 84 ? 36.571 -13.088 -12.996 1.00 35.24 84 A 1 ATOM 680 C CG2 . VAL A 1 84 ? 36.818 -15.453 -12.298 1.00 39.72 84 A 1 ATOM 681 N N . LEU A 1 85 ? 34.340 -13.561 -16.003 1.00 43.44 85 A 1 ATOM 682 C CA . LEU A 1 85 ? 34.071 -12.374 -16.812 1.00 50.97 85 A 1 ATOM 683 C C . LEU A 1 85 ? 33.401 -11.331 -15.912 1.00 49.76 85 A 1 ATOM 684 O O . LEU A 1 85 ? 32.218 -11.413 -15.594 1.00 47.16 85 A 1 ATOM 685 C CB . LEU A 1 85 ? 33.258 -12.748 -18.067 1.00 48.47 85 A 1 ATOM 686 C CG . LEU A 1 85 ? 34.144 -13.295 -19.207 1.00 46.20 85 A 1 ATOM 687 C CD1 . LEU A 1 85 ? 33.291 -14.052 -20.224 1.00 43.04 85 A 1 ATOM 688 C CD2 . LEU A 1 85 ? 34.876 -12.173 -19.950 1.00 48.01 85 A 1 ATOM 689 N N . ARG A 1 86 ? 34.204 -10.355 -15.460 1.00 46.90 86 A 1 ATOM 690 C CA . ARG A 1 86 ? 33.718 -9.106 -14.862 1.00 50.04 86 A 1 ATOM 691 C C . ARG A 1 86 ? 32.970 -8.321 -15.945 1.00 47.75 86 A 1 ATOM 692 O O . ARG A 1 86 ? 33.601 -8.009 -16.957 1.00 46.56 86 A 1 ATOM 693 C CB . ARG A 1 86 ? 34.900 -8.255 -14.356 1.00 49.60 86 A 1 ATOM 694 C CG . ARG A 1 86 ? 35.614 -8.827 -13.123 1.00 46.83 86 A 1 ATOM 695 C CD . ARG A 1 86 ? 36.789 -7.918 -12.745 1.00 45.02 86 A 1 ATOM 696 N NE . ARG A 1 86 ? 37.475 -8.366 -11.516 1.00 40.55 86 A 1 ATOM 697 C CZ . ARG A 1 86 ? 38.479 -7.749 -10.910 1.00 36.21 86 A 1 ATOM 698 N NH1 . ARG A 1 86 ? 38.997 -6.643 -11.373 1.00 34.17 86 A 1 ATOM 699 N NH2 . ARG A 1 86 ? 38.989 -8.237 -9.814 1.00 33.80 86 A 1 ATOM 700 N N . PRO A 1 87 ? 31.705 -7.947 -15.771 1.00 45.72 87 A 1 ATOM 701 C CA . PRO A 1 87 ? 31.108 -6.949 -16.641 1.00 53.25 87 A 1 ATOM 702 C C . PRO A 1 87 ? 31.714 -5.583 -16.289 1.00 54.36 87 A 1 ATOM 703 O O . PRO A 1 87 ? 31.544 -5.073 -15.183 1.00 51.72 87 A 1 ATOM 704 C CB . PRO A 1 87 ? 29.600 -7.049 -16.413 1.00 49.44 87 A 1 ATOM 705 C CG . PRO A 1 87 ? 29.487 -7.561 -14.980 1.00 47.83 87 A 1 ATOM 706 C CD . PRO A 1 87 ? 30.766 -8.373 -14.755 1.00 52.57 87 A 1 ATOM 707 N N . MET A 1 88 ? 32.455 -4.992 -17.224 1.00 52.21 88 A 1 ATOM 708 C CA . MET A 1 88 ? 32.796 -3.569 -17.179 1.00 57.53 88 A 1 ATOM 709 C C . MET A 1 88 ? 31.493 -2.775 -17.283 1.00 56.68 88 A 1 ATOM 710 O O . MET A 1 88 ? 30.854 -2.738 -18.333 1.00 55.21 88 A 1 ATOM 711 C CB . MET A 1 88 ? 33.756 -3.190 -18.326 1.00 53.80 88 A 1 ATOM 712 C CG . MET A 1 88 ? 35.213 -3.521 -18.004 1.00 49.80 88 A 1 ATOM 713 S SD . MET A 1 88 ? 36.394 -3.184 -19.342 1.00 45.78 88 A 1 ATOM 714 C CE . MET A 1 88 ? 36.446 -1.371 -19.366 1.00 40.88 88 A 1 ATOM 715 N N . VAL A 1 89 ? 31.094 -2.163 -16.172 1.00 43.37 89 A 1 ATOM 716 C CA . VAL A 1 89 ? 29.993 -1.204 -16.138 1.00 58.65 89 A 1 ATOM 717 C C . VAL A 1 89 ? 30.458 0.050 -16.875 1.00 60.05 89 A 1 ATOM 718 O O . VAL A 1 89 ? 31.399 0.712 -16.446 1.00 54.00 89 A 1 ATOM 719 C CB . VAL A 1 89 ? 29.577 -0.902 -14.692 1.00 54.52 89 A 1 ATOM 720 C CG1 . VAL A 1 89 ? 28.457 0.143 -14.636 1.00 49.42 89 A 1 ATOM 721 C CG2 . VAL A 1 89 ? 29.061 -2.169 -13.999 1.00 52.09 89 A 1 ATOM 722 N N . ASN A 1 90 ? 29.823 0.346 -17.999 1.00 61.33 90 A 1 ATOM 723 C CA . ASN A 1 90 ? 30.122 1.507 -18.825 1.00 64.72 90 A 1 ATOM 724 C C . ASN A 1 90 ? 29.634 2.782 -18.098 1.00 62.42 90 A 1 ATOM 725 O O . ASN A 1 90 ? 28.431 2.899 -17.840 1.00 60.32 90 A 1 ATOM 726 C CB . ASN A 1 90 ? 29.470 1.282 -20.208 1.00 59.98 90 A 1 ATOM 727 C CG . ASN A 1 90 ? 30.295 1.815 -21.362 1.00 53.72 90 A 1 ATOM 728 O OD1 . ASN A 1 90 ? 31.284 2.498 -21.187 1.00 51.34 90 A 1 ATOM 729 N ND2 . ASN A 1 90 ? 29.928 1.504 -22.581 1.00 50.42 90 A 1 ATOM 730 N N . PRO A 1 91 ? 30.518 3.732 -17.721 1.00 58.76 91 A 1 ATOM 731 C CA . PRO A 1 91 ? 30.152 4.860 -16.854 1.00 63.94 91 A 1 ATOM 732 C C . PRO A 1 91 ? 29.184 5.860 -17.503 1.00 66.82 91 A 1 ATOM 733 O O . PRO A 1 91 ? 28.515 6.606 -16.793 1.00 63.38 91 A 1 ATOM 734 C CB . PRO A 1 91 ? 31.486 5.512 -16.459 1.00 62.42 91 A 1 ATOM 735 C CG . PRO A 1 91 ? 32.444 5.112 -17.580 1.00 63.05 91 A 1 ATOM 736 C CD . PRO A 1 91 ? 31.944 3.736 -17.993 1.00 70.97 91 A 1 ATOM 737 N N . GLU A 1 92 ? 29.038 5.852 -18.824 1.00 58.52 92 A 1 ATOM 738 C CA . GLU A 1 92 ? 28.073 6.705 -19.535 1.00 69.88 92 A 1 ATOM 739 C C . GLU A 1 92 ? 26.615 6.265 -19.341 1.00 69.39 92 A 1 ATOM 740 O O . GLU A 1 92 ? 25.725 7.107 -19.219 1.00 69.00 92 A 1 ATOM 741 C CB . GLU A 1 92 ? 28.414 6.751 -21.028 1.00 72.46 92 A 1 ATOM 742 C CG . GLU A 1 92 ? 29.740 7.487 -21.279 1.00 67.14 92 A 1 ATOM 743 C CD . GLU A 1 92 ? 29.960 7.802 -22.763 1.00 62.26 92 A 1 ATOM 744 O OE1 . GLU A 1 92 ? 30.633 8.819 -23.032 1.00 55.68 92 A 1 ATOM 745 O OE2 . GLU A 1 92 ? 29.472 7.011 -23.600 1.00 55.24 92 A 1 ATOM 746 N N . ILE A 1 93 ? 26.362 4.964 -19.222 1.00 62.01 93 A 1 ATOM 747 C CA . ILE A 1 93 ? 25.007 4.433 -18.993 1.00 65.72 93 A 1 ATOM 748 C C . ILE A 1 93 ? 24.534 4.784 -17.573 1.00 65.15 93 A 1 ATOM 749 O O . ILE A 1 93 ? 23.367 5.113 -17.366 1.00 63.58 93 A 1 ATOM 750 C CB . ILE A 1 93 ? 24.969 2.911 -19.273 1.00 66.89 93 A 1 ATOM 751 C CG1 . ILE A 1 93 ? 25.374 2.626 -20.740 1.00 64.75 93 A 1 ATOM 752 C CG2 . ILE A 1 93 ? 23.572 2.333 -18.979 1.00 64.50 93 A 1 ATOM 753 C CD1 . ILE A 1 93 ? 25.471 1.138 -21.103 1.00 59.42 93 A 1 ATOM 754 N N . VAL A 1 94 ? 25.456 4.798 -16.602 1.00 57.14 94 A 1 ATOM 755 C CA . VAL A 1 94 ? 25.148 5.163 -15.209 1.00 59.58 94 A 1 ATOM 756 C C . VAL A 1 94 ? 24.813 6.654 -15.085 1.00 56.07 94 A 1 ATOM 757 O O . VAL A 1 94 ? 23.891 7.003 -14.350 1.00 56.93 94 A 1 ATOM 758 C CB . VAL A 1 94 ? 26.299 4.757 -14.272 1.00 59.92 94 A 1 ATOM 759 C CG1 . VAL A 1 94 ? 25.969 5.050 -12.800 1.00 57.23 94 A 1 ATOM 760 C CG2 . VAL A 1 94 ? 26.605 3.255 -14.376 1.00 63.48 94 A 1 ATOM 761 N N . LYS A 1 95 ? 25.489 7.535 -15.833 1.00 62.02 95 A 1 ATOM 762 C CA . LYS A 1 95 ? 25.156 8.969 -15.879 1.00 65.38 95 A 1 ATOM 763 C C . LYS A 1 95 ? 23.783 9.226 -16.497 1.00 62.37 95 A 1 ATOM 764 O O . LYS A 1 95 ? 22.985 9.941 -15.902 1.00 63.88 95 A 1 ATOM 765 C CB . LYS A 1 95 ? 26.249 9.756 -16.621 1.00 67.88 95 A 1 ATOM 766 C CG . LYS A 1 95 ? 27.190 10.457 -15.640 1.00 63.77 95 A 1 ATOM 767 C CD . LYS A 1 95 ? 28.231 11.283 -16.402 1.00 63.00 95 A 1 ATOM 768 C CE . LYS A 1 95 ? 29.080 12.108 -15.434 1.00 56.01 95 A 1 ATOM 769 N NZ . LYS A 1 95 ? 30.069 12.934 -16.166 1.00 47.92 95 A 1 ATOM 770 N N . SER A 1 96 ? 23.487 8.597 -17.621 1.00 72.48 96 A 1 ATOM 771 C CA . SER A 1 96 ? 22.184 8.718 -18.296 1.00 73.98 96 A 1 ATOM 772 C C . SER A 1 96 ? 21.020 8.228 -17.422 1.00 71.81 96 A 1 ATOM 773 O O . SER A 1 96 ? 19.968 8.863 -17.381 1.00 70.01 96 A 1 ATOM 774 C CB . SER A 1 96 ? 22.250 7.943 -19.613 1.00 75.74 96 A 1 ATOM 775 O OG . SER A 1 96 ? 21.003 7.895 -20.260 1.00 66.10 96 A 1 ATOM 776 N N . CYS A 1 97 ? 21.206 7.145 -16.667 1.00 51.94 97 A 1 ATOM 777 C CA . CYS A 1 97 ? 20.195 6.653 -15.729 1.00 53.67 97 A 1 ATOM 778 C C . CYS A 1 97 ? 20.007 7.572 -14.511 1.00 50.01 97 A 1 ATOM 779 O O . CYS A 1 97 ? 18.895 7.671 -14.005 1.00 51.51 97 A 1 ATOM 780 C CB . CYS A 1 97 ? 20.560 5.235 -15.273 1.00 53.88 97 A 1 ATOM 781 S SG . CYS A 1 97 ? 20.092 4.027 -16.550 1.00 49.56 97 A 1 ATOM 782 N N . LEU A 1 98 ? 21.067 8.251 -14.037 1.00 46.64 98 A 1 ATOM 783 C CA . LEU A 1 98 ? 20.965 9.188 -12.912 1.00 54.02 98 A 1 ATOM 784 C C . LEU A 1 98 ? 20.200 10.463 -13.304 1.00 51.06 98 A 1 ATOM 785 O O . LEU A 1 98 ? 19.357 10.934 -12.548 1.00 53.58 98 A 1 ATOM 786 C CB . LEU A 1 98 ? 22.372 9.523 -12.374 1.00 55.84 98 A 1 ATOM 787 C CG . LEU A 1 98 ? 22.453 9.447 -10.840 1.00 55.06 98 A 1 ATOM 788 C CD1 . LEU A 1 98 ? 23.009 8.091 -10.398 1.00 52.04 98 A 1 ATOM 789 C CD2 . LEU A 1 98 ? 23.357 10.536 -10.272 1.00 56.51 98 A 1 ATOM 790 N N . GLU A 1 99 ? 20.448 10.973 -14.504 1.00 61.60 99 A 1 ATOM 791 C CA . GLU A 1 99 ? 19.818 12.190 -15.037 1.00 63.40 99 A 1 ATOM 792 C C . GLU A 1 99 ? 18.335 11.962 -15.390 1.00 60.68 99 A 1 ATOM 793 O O . GLU A 1 99 ? 17.490 12.835 -15.184 1.00 62.02 99 A 1 ATOM 794 C CB . GLU A 1 99 ? 20.666 12.634 -16.243 1.00 69.61 99 A 1 ATOM 795 C CG . GLU A 1 99 ? 20.684 14.148 -16.474 1.00 65.27 99 A 1 ATOM 796 C CD . GLU A 1 99 ? 21.766 14.575 -17.492 1.00 60.15 99 A 1 ATOM 797 O OE1 . GLU A 1 99 ? 22.032 15.797 -17.569 1.00 53.66 99 A 1 ATOM 798 O OE2 . GLU A 1 99 ? 22.348 13.696 -18.174 1.00 54.11 99 A 1 ATOM 799 N N . ALA A 1 100 ? 17.983 10.751 -15.827 1.00 61.18 100 A 1 ATOM 800 C CA . ALA A 1 100 ? 16.588 10.350 -16.036 1.00 63.07 100 A 1 ATOM 801 C C . ALA A 1 100 ? 15.796 10.233 -14.714 1.00 61.78 100 A 1 ATOM 802 O O . ALA A 1 100 ? 14.618 10.592 -14.673 1.00 61.86 100 A 1 ATOM 803 C CB . ALA A 1 100 ? 16.580 9.037 -16.824 1.00 65.53 100 A 1 ATOM 804 N N . LEU A 1 101 ? 16.438 9.793 -13.636 1.00 41.76 101 A 1 ATOM 805 C CA . LEU A 1 101 ? 15.817 9.699 -12.307 1.00 46.85 101 A 1 ATOM 806 C C . LEU A 1 101 ? 15.576 11.077 -11.668 1.00 44.55 101 A 1 ATOM 807 O O . LEU A 1 101 ? 14.530 11.277 -11.047 1.00 46.32 101 A 1 ATOM 808 C CB . LEU A 1 101 ? 16.681 8.798 -11.403 1.00 47.24 101 A 1 ATOM 809 C CG . LEU A 1 101 ? 16.432 7.291 -11.607 1.00 46.30 101 A 1 ATOM 810 C CD1 . LEU A 1 101 ? 17.579 6.469 -11.013 1.00 43.78 101 A 1 ATOM 811 C CD2 . LEU A 1 101 ? 15.141 6.840 -10.923 1.00 48.70 101 A 1 ATOM 812 N N . GLU A 1 102 ? 16.480 12.044 -11.861 1.00 53.04 102 A 1 ATOM 813 C CA . GLU A 1 102 ? 16.271 13.428 -11.395 1.00 57.48 102 A 1 ATOM 814 C C . GLU A 1 102 ? 15.098 14.114 -12.113 1.00 55.36 102 A 1 ATOM 815 O O . GLU A 1 102 ? 14.322 14.839 -11.482 1.00 56.76 102 A 1 ATOM 816 C CB . GLU A 1 102 ? 17.566 14.253 -11.546 1.00 61.00 102 A 1 ATOM 817 C CG . GLU A 1 102 ? 18.414 14.209 -10.265 1.00 57.09 102 A 1 ATOM 818 C CD . GLU A 1 102 ? 19.701 15.049 -10.336 1.00 53.73 102 A 1 ATOM 819 O OE1 . GLU A 1 102 ? 20.125 15.536 -9.260 1.00 50.41 102 A 1 ATOM 820 O OE2 . GLU A 1 102 ? 20.290 15.162 -11.433 1.00 51.13 102 A 1 ATOM 821 N N . GLN A 1 103 ? 14.902 13.853 -13.404 1.00 54.32 103 A 1 ATOM 822 C CA . GLN A 1 103 ? 13.776 14.413 -14.160 1.00 58.33 103 A 1 ATOM 823 C C . GLN A 1 103 ? 12.418 13.818 -13.757 1.00 57.68 103 A 1 ATOM 824 O O . GLN A 1 103 ? 11.409 14.530 -13.802 1.00 58.46 103 A 1 ATOM 825 C CB . GLN A 1 103 ? 14.012 14.241 -15.665 1.00 59.16 103 A 1 ATOM 826 C CG . GLN A 1 103 ? 15.090 15.209 -16.184 1.00 57.12 103 A 1 ATOM 827 C CD . GLN A 1 103 ? 15.276 15.146 -17.697 1.00 53.37 103 A 1 ATOM 828 O OE1 . GLN A 1 103 ? 14.457 14.645 -18.454 1.00 51.98 103 A 1 ATOM 829 N NE2 . GLN A 1 103 ? 16.354 15.687 -18.211 1.00 46.99 103 A 1 ATOM 830 N N . GLU A 1 104 ? 12.360 12.551 -13.346 1.00 45.52 104 A 1 ATOM 831 C CA . GLU A 1 104 ? 11.116 11.956 -12.826 1.00 49.53 104 A 1 ATOM 832 C C . GLU A 1 104 ? 10.738 12.514 -11.444 1.00 47.14 104 A 1 ATOM 833 O O . GLU A 1 104 ? 9.564 12.816 -11.216 1.00 47.66 104 A 1 ATOM 834 C CB . GLU A 1 104 ? 11.176 10.419 -12.813 1.00 49.34 104 A 1 ATOM 835 C CG . GLU A 1 104 ? 10.981 9.821 -14.221 1.00 47.73 104 A 1 ATOM 836 C CD . GLU A 1 104 ? 10.505 8.353 -14.203 1.00 45.07 104 A 1 ATOM 837 O OE1 . GLU A 1 104 ? 9.711 7.997 -15.106 1.00 43.25 104 A 1 ATOM 838 O OE2 . GLU A 1 104 ? 10.915 7.591 -13.294 1.00 43.29 104 A 1 ATOM 839 N N . GLU A 1 105 ? 11.709 12.769 -10.555 1.00 42.58 105 A 1 ATOM 840 C CA . GLU A 1 105 ? 11.437 13.370 -9.238 1.00 46.88 105 A 1 ATOM 841 C C . GLU A 1 105 ? 10.903 14.812 -9.346 1.00 44.85 105 A 1 ATOM 842 O O . GLU A 1 105 ? 10.025 15.212 -8.574 1.00 45.38 105 A 1 ATOM 843 C CB . GLU A 1 105 ? 12.684 13.320 -8.332 1.00 46.88 105 A 1 ATOM 844 C CG . GLU A 1 105 ? 12.984 11.912 -7.772 1.00 43.01 105 A 1 ATOM 845 C CD . GLU A 1 105 ? 13.918 11.911 -6.545 1.00 41.15 105 A 1 ATOM 846 O OE1 . GLU A 1 105 ? 13.787 10.977 -5.708 1.00 40.50 105 A 1 ATOM 847 O OE2 . GLU A 1 105 ? 14.705 12.866 -6.363 1.00 41.10 105 A 1 ATOM 848 N N . GLU A 1 106 ? 11.360 15.602 -10.333 1.00 51.22 106 A 1 ATOM 849 C CA . GLU A 1 106 ? 10.854 16.968 -10.551 1.00 53.83 106 A 1 ATOM 850 C C . GLU A 1 106 ? 9.423 16.982 -11.126 1.00 50.18 106 A 1 ATOM 851 O O . GLU A 1 106 ? 8.611 17.860 -10.811 1.00 50.96 106 A 1 ATOM 852 C CB . GLU A 1 106 ? 11.828 17.754 -11.450 1.00 56.34 106 A 1 ATOM 853 C CG . GLU A 1 106 ? 11.760 19.257 -11.122 1.00 52.83 106 A 1 ATOM 854 C CD . GLU A 1 106 ? 12.404 20.161 -12.180 1.00 49.22 106 A 1 ATOM 855 O OE1 . GLU A 1 106 ? 11.800 21.257 -12.396 1.00 47.39 106 A 1 ATOM 856 O OE2 . GLU A 1 106 ? 13.399 19.765 -12.795 1.00 46.51 106 A 1 ATOM 857 N N . LYS A 1 107 ? 9.080 15.970 -11.925 1.00 53.90 107 A 1 ATOM 858 C CA . LYS A 1 107 ? 7.747 15.824 -12.532 1.00 56.08 107 A 1 ATOM 859 C C . LYS A 1 107 ? 6.687 15.408 -11.510 1.00 52.98 107 A 1 ATOM 860 O O . LYS A 1 107 ? 5.582 15.962 -11.517 1.00 49.86 107 A 1 ATOM 861 C CB . LYS A 1 107 ? 7.861 14.847 -13.711 1.00 54.89 107 A 1 ATOM 862 C CG . LYS A 1 107 ? 6.880 15.174 -14.839 1.00 51.55 107 A 1 ATOM 863 C CD . LYS A 1 107 ? 7.155 14.221 -16.011 1.00 50.18 107 A 1 ATOM 864 C CE . LYS A 1 107 ? 6.310 14.566 -17.234 1.00 44.95 107 A 1 ATOM 865 N NZ . LYS A 1 107 ? 6.614 13.632 -18.348 1.00 39.26 107 A 1 ATOM 866 N N . ASP A 1 108 ? 7.039 14.527 -10.580 1.00 44.80 108 A 1 ATOM 867 C CA . ASP A 1 108 ? 6.161 14.125 -9.470 1.00 48.11 108 A 1 ATOM 868 C C . ASP A 1 108 ? 5.909 15.272 -8.474 1.00 43.63 108 A 1 ATOM 869 O O . ASP A 1 108 ? 4.791 15.439 -7.972 1.00 43.90 108 A 1 ATOM 870 C CB . ASP A 1 108 ? 6.746 12.883 -8.766 1.00 47.96 108 A 1 ATOM 871 C CG . ASP A 1 108 ? 6.259 11.549 -9.350 1.00 43.10 108 A 1 ATOM 872 O OD1 . ASP A 1 108 ? 5.149 11.531 -9.936 1.00 41.66 108 A 1 ATOM 873 O OD2 . ASP A 1 108 ? 6.928 10.527 -9.085 1.00 41.87 108 A 1 ATOM 874 N N . MET A 1 109 ? 6.898 16.155 -8.249 1.00 48.21 109 A 1 ATOM 875 C CA . MET A 1 109 ? 6.727 17.334 -7.389 1.00 49.07 109 A 1 ATOM 876 C C . MET A 1 109 ? 5.765 18.380 -7.983 1.00 47.24 109 A 1 ATOM 877 O O . MET A 1 109 ? 5.015 19.030 -7.250 1.00 46.74 109 A 1 ATOM 878 C CB . MET A 1 109 ? 8.098 17.942 -7.064 1.00 48.31 109 A 1 ATOM 879 C CG . MET A 1 109 ? 8.277 18.134 -5.561 1.00 45.53 109 A 1 ATOM 880 S SD . MET A 1 109 ? 9.710 19.114 -5.043 1.00 43.42 109 A 1 ATOM 881 C CE . MET A 1 109 ? 11.087 18.156 -5.722 1.00 39.79 109 A 1 ATOM 882 N N . LYS A 1 110 ? 5.743 18.533 -9.319 1.00 41.93 110 A 1 ATOM 883 C CA . LYS A 1 110 ? 4.774 19.403 -10.020 1.00 47.55 110 A 1 ATOM 884 C C . LYS A 1 110 ? 3.356 18.833 -9.991 1.00 43.70 110 A 1 ATOM 885 O O . LYS A 1 110 ? 2.403 19.594 -9.800 1.00 42.41 110 A 1 ATOM 886 C CB . LYS A 1 110 ? 5.259 19.698 -11.455 1.00 47.11 110 A 1 ATOM 887 C CG . LYS A 1 110 ? 6.246 20.879 -11.477 1.00 44.88 110 A 1 ATOM 888 C CD . LYS A 1 110 ? 6.878 21.097 -12.860 1.00 44.11 110 A 1 ATOM 889 C CE . LYS A 1 110 ? 7.848 22.290 -12.824 1.00 39.20 110 A 1 ATOM 890 N NZ . LYS A 1 110 ? 8.941 22.188 -13.838 1.00 34.29 110 A 1 ATOM 891 N N . HIS A 1 111 ? 3.193 17.512 -10.088 1.00 38.85 111 A 1 ATOM 892 C CA . HIS A 1 111 ? 1.875 16.869 -10.013 1.00 42.14 111 A 1 ATOM 893 C C . HIS A 1 111 ? 1.260 16.930 -8.603 1.00 37.40 111 A 1 ATOM 894 O O . HIS A 1 111 ? 0.054 17.130 -8.462 1.00 36.65 111 A 1 ATOM 895 C CB . HIS A 1 111 ? 1.973 15.428 -10.548 1.00 41.44 111 A 1 ATOM 896 C CG . HIS A 1 111 ? 1.032 15.201 -11.700 1.00 39.65 111 A 1 ATOM 897 N ND1 . HIS A 1 111 ? -0.289 14.836 -11.609 1.00 37.23 111 A 1 ATOM 898 C CD2 . HIS A 1 111 ? 1.303 15.369 -13.034 1.00 37.13 111 A 1 ATOM 899 C CE1 . HIS A 1 111 ? -0.796 14.782 -12.855 1.00 33.88 111 A 1 ATOM 900 N NE2 . HIS A 1 111 ? 0.138 15.108 -13.756 1.00 34.38 111 A 1 ATOM 901 N N . ALA A 1 112 ? 2.084 16.857 -7.549 1.00 44.96 112 A 1 ATOM 902 C CA . ALA A 1 112 ? 1.625 16.997 -6.161 1.00 48.70 112 A 1 ATOM 903 C C . ALA A 1 112 ? 1.165 18.430 -5.811 1.00 45.89 112 A 1 ATOM 904 O O . ALA A 1 112 ? 0.236 18.604 -5.021 1.00 44.48 112 A 1 ATOM 905 C CB . ALA A 1 112 ? 2.745 16.510 -5.241 1.00 47.41 112 A 1 ATOM 906 N N . LYS A 1 113 ? 1.762 19.460 -6.419 1.00 34.89 113 A 1 ATOM 907 C CA . LYS A 1 113 ? 1.322 20.860 -6.238 1.00 40.05 113 A 1 ATOM 908 C C . LYS A 1 113 ? -0.006 21.171 -6.937 1.00 36.87 113 A 1 ATOM 909 O O . LYS A 1 113 ? -0.793 21.945 -6.402 1.00 36.40 113 A 1 ATOM 910 C CB . LYS A 1 113 ? 2.428 21.839 -6.672 1.00 39.99 113 A 1 ATOM 911 C CG . LYS A 1 113 ? 3.443 22.078 -5.544 1.00 37.54 113 A 1 ATOM 912 C CD . LYS A 1 113 ? 4.501 23.109 -5.962 1.00 36.50 113 A 1 ATOM 913 C CE . LYS A 1 113 ? 5.456 23.407 -4.802 1.00 32.74 113 A 1 ATOM 914 N NZ . LYS A 1 113 ? 6.519 24.370 -5.191 1.00 29.91 113 A 1 ATOM 915 N N . ALA A 1 114 ? -0.290 20.555 -8.076 1.00 31.85 114 A 1 ATOM 916 C CA . ALA A 1 114 ? -1.547 20.766 -8.802 1.00 38.34 114 A 1 ATOM 917 C C . ALA A 1 114 ? -2.772 20.123 -8.115 1.00 36.34 114 A 1 ATOM 918 O O . ALA A 1 114 ? -3.885 20.628 -8.238 1.00 35.60 114 A 1 ATOM 919 C CB . ALA A 1 114 ? -1.358 20.255 -10.233 1.00 38.40 114 A 1 ATOM 920 N N . ALA A 1 115 ? -2.576 19.054 -7.341 1.00 33.07 115 A 1 ATOM 921 C CA . ALA A 1 115 ? -3.662 18.375 -6.624 1.00 38.28 115 A 1 ATOM 922 C C . ALA A 1 115 ? -4.108 19.087 -5.327 1.00 36.34 115 A 1 ATOM 923 O O . ALA A 1 115 ? -5.133 18.729 -4.751 1.00 36.13 115 A 1 ATOM 924 C CB . ALA A 1 115 ? -3.233 16.928 -6.370 1.00 37.78 115 A 1 ATOM 925 N N . THR A 1 116 ? -3.358 20.098 -4.861 1.00 27.38 116 A 1 ATOM 926 C CA . THR A 1 116 ? -3.643 20.800 -3.587 1.00 33.11 116 A 1 ATOM 927 C C . THR A 1 116 ? -4.515 22.056 -3.770 1.00 32.50 116 A 1 ATOM 928 O O . THR A 1 116 ? -4.935 22.651 -2.786 1.00 30.80 116 A 1 ATOM 929 C CB . THR A 1 116 ? -2.334 21.090 -2.826 1.00 32.29 116 A 1 ATOM 930 O OG1 . THR A 1 116 ? -1.524 19.931 -2.786 1.00 29.70 116 A 1 ATOM 931 C CG2 . THR A 1 116 ? -2.533 21.489 -1.365 1.00 30.19 116 A 1 ATOM 932 N N . GLN A 1 117 ? -4.850 22.460 -5.003 1.00 24.46 117 A 1 ATOM 933 C CA . GLN A 1 117 ? -5.649 23.676 -5.254 1.00 28.69 117 A 1 ATOM 934 C C . GLN A 1 117 ? -7.169 23.453 -5.356 1.00 27.69 117 A 1 ATOM 935 O O . GLN A 1 117 ? -7.904 24.396 -5.634 1.00 26.09 117 A 1 ATOM 936 C CB . GLN A 1 117 ? -5.097 24.450 -6.462 1.00 27.66 117 A 1 ATOM 937 C CG . GLN A 1 117 ? -3.795 25.181 -6.107 1.00 26.19 117 A 1 ATOM 938 C CD . GLN A 1 117 ? -3.377 26.204 -7.163 1.00 23.37 117 A 1 ATOM 939 O OE1 . GLN A 1 117 ? -3.989 26.377 -8.202 1.00 23.05 117 A 1 ATOM 940 N NE2 . GLN A 1 117 ? -2.317 26.941 -6.932 1.00 24.03 117 A 1 ATOM 941 N N . VAL A 1 118 ? -7.682 22.258 -5.100 1.00 20.25 118 A 1 ATOM 942 C CA . VAL A 1 118 ? -9.133 21.993 -5.145 1.00 25.26 118 A 1 ATOM 943 C C . VAL A 1 118 ? -9.617 21.436 -3.806 1.00 24.40 118 A 1 ATOM 944 O O . VAL A 1 118 ? -9.938 20.262 -3.685 1.00 23.22 118 A 1 ATOM 945 C CB . VAL A 1 118 ? -9.541 21.128 -6.360 1.00 23.97 118 A 1 ATOM 946 C CG1 . VAL A 1 118 ? -11.073 21.102 -6.523 1.00 21.32 118 A 1 ATOM 947 C CG2 . VAL A 1 118 ? -8.965 21.670 -7.677 1.00 23.55 118 A 1 ATOM 948 N N . SER A 1 119 ? -9.654 22.298 -2.791 1.00 24.44 119 A 1 ATOM 949 C CA . SER A 1 119 ? -10.677 22.278 -1.727 1.00 30.26 119 A 1 ATOM 950 C C . SER A 1 119 ? -10.453 23.424 -0.743 1.00 29.50 119 A 1 ATOM 951 O O . SER A 1 119 ? -10.100 23.234 0.419 1.00 28.34 119 A 1 ATOM 952 C CB . SER A 1 119 ? -10.814 20.937 -0.990 1.00 29.02 119 A 1 ATOM 953 O OG . SER A 1 119 ? -9.585 20.430 -0.544 1.00 26.80 119 A 1 ATOM 954 N N . GLU A 1 120 ? -10.681 24.637 -1.214 1.00 22.64 120 A 1 ATOM 955 C CA . GLU A 1 120 ? -10.907 25.790 -0.351 1.00 28.33 120 A 1 ATOM 956 C C . GLU A 1 120 ? -12.338 25.683 0.204 1.00 26.73 120 A 1 ATOM 957 O O . GLU A 1 120 ? -13.293 26.238 -0.328 1.00 26.63 120 A 1 ATOM 958 C CB . GLU A 1 120 ? -10.613 27.066 -1.162 1.00 29.94 120 A 1 ATOM 959 C CG . GLU A 1 120 ? -10.325 28.287 -0.280 1.00 28.57 120 A 1 ATOM 960 C CD . GLU A 1 120 ? -9.832 29.500 -1.097 1.00 27.63 120 A 1 ATOM 961 O OE1 . GLU A 1 120 ? -9.354 30.459 -0.449 1.00 26.17 120 A 1 ATOM 962 O OE2 . GLU A 1 120 ? -9.934 29.470 -2.345 1.00 29.65 120 A 1 ATOM 963 N N . ILE A 1 121 ? -12.504 24.867 1.239 1.00 21.01 121 A 1 ATOM 964 C CA . ILE A 1 121 ? -13.714 24.871 2.065 1.00 26.34 121 A 1 ATOM 965 C C . ILE A 1 121 ? -13.378 25.660 3.323 1.00 25.41 121 A 1 ATOM 966 O O . ILE A 1 121 ? -12.698 25.193 4.235 1.00 24.31 121 A 1 ATOM 967 C CB . ILE A 1 121 ? -14.288 23.468 2.332 1.00 25.68 121 A 1 ATOM 968 C CG1 . ILE A 1 121 ? -14.658 22.796 0.989 1.00 24.64 121 A 1 ATOM 969 C CG2 . ILE A 1 121 ? -15.533 23.575 3.237 1.00 26.31 121 A 1 ATOM 970 C CD1 . ILE A 1 121 ? -15.180 21.359 1.120 1.00 25.42 121 A 1 ATOM 971 N N . LYS A 1 122 ? -13.868 26.893 3.319 1.00 24.26 122 A 1 ATOM 972 C CA . LYS A 1 122 ? -14.004 27.819 4.431 1.00 30.92 122 A 1 ATOM 973 C C . LYS A 1 122 ? -14.599 27.090 5.642 1.00 29.55 122 A 1 ATOM 974 O O . LYS A 1 122 ? -15.786 26.764 5.634 1.00 29.55 122 A 1 ATOM 975 C CB . LYS A 1 122 ? -14.914 28.939 3.887 1.00 30.72 122 A 1 ATOM 976 C CG . LYS A 1 122 ? -15.033 30.188 4.743 1.00 26.93 122 A 1 ATOM 977 C CD . LYS A 1 122 ? -15.878 31.231 3.979 1.00 25.68 122 A 1 ATOM 978 C CE . LYS A 1 122 ? -15.921 32.563 4.729 1.00 23.13 122 A 1 ATOM 979 N NZ . LYS A 1 122 ? -16.716 33.578 3.989 1.00 21.68 122 A 1 ATOM 980 N N . ILE A 1 123 ? -13.784 26.836 6.658 1.00 23.28 123 A 1 ATOM 981 C CA . ILE A 1 123 ? -14.250 26.367 7.967 1.00 28.66 123 A 1 ATOM 982 C C . ILE A 1 123 ? -14.132 27.549 8.926 1.00 28.03 123 A 1 ATOM 983 O O . ILE A 1 123 ? -13.035 27.944 9.317 1.00 26.74 123 A 1 ATOM 984 C CB . ILE A 1 123 ? -13.529 25.086 8.433 1.00 27.55 123 A 1 ATOM 985 C CG1 . ILE A 1 123 ? -13.761 23.943 7.412 1.00 25.52 123 A 1 ATOM 986 C CG2 . ILE A 1 123 ? -14.027 24.666 9.827 1.00 26.32 123 A 1 ATOM 987 C CD1 . ILE A 1 123 ? -13.018 22.636 7.723 1.00 24.61 123 A 1 ATOM 988 N N . GLU A 1 124 ? -15.287 28.147 9.232 1.00 25.39 124 A 1 ATOM 989 C CA . GLU A 1 124 ? -15.473 29.027 10.383 1.00 30.98 124 A 1 ATOM 990 C C . GLU A 1 124 ? -15.035 28.330 11.671 1.00 29.10 124 A 1 ATOM 991 O O . GLU A 1 124 ? -15.380 27.169 11.921 1.00 28.97 124 A 1 ATOM 992 C CB . GLU A 1 124 ? -16.960 29.413 10.508 1.00 31.74 124 A 1 ATOM 993 C CG . GLU A 1 124 ? -17.314 30.723 9.790 1.00 29.47 124 A 1 ATOM 994 C CD . GLU A 1 124 ? -18.815 31.048 9.880 1.00 26.48 124 A 1 ATOM 995 O OE1 . GLU A 1 124 ? -19.134 32.220 10.192 1.00 25.57 124 A 1 ATOM 996 O OE2 . GLU A 1 124 ? -19.620 30.137 9.602 1.00 29.42 124 A 1 ATOM 997 N N . GLU A 1 125 ? -14.295 29.051 12.506 1.00 27.57 125 A 1 ATOM 998 C CA . GLU A 1 125 ? -14.001 28.684 13.888 1.00 31.14 125 A 1 ATOM 999 C C . GLU A 1 125 ? -15.292 28.503 14.710 1.00 29.47 125 A 1 ATOM 1000 O O . GLU A 1 125 ? -16.131 29.410 14.734 1.00 29.28 125 A 1 ATOM 1001 C CB . GLU A 1 125 ? -13.207 29.816 14.566 1.00 32.19 125 A 1 ATOM 1002 C CG . GLU A 1 125 ? -11.757 29.994 14.117 1.00 29.32 125 A 1 ATOM 1003 C CD . GLU A 1 125 ? -11.097 31.160 14.877 1.00 27.47 125 A 1 ATOM 1004 O OE1 . GLU A 1 125 ? -10.025 30.931 15.486 1.00 26.62 125 A 1 ATOM 1005 O OE2 . GLU A 1 125 ? -11.680 32.264 14.869 1.00 30.04 125 A 1 ATOM 1006 N N . PRO A 1 126 ? -15.384 27.445 15.507 1.00 26.18 126 A 1 ATOM 1007 C CA . PRO A 1 126 ? -16.142 27.520 16.744 1.00 30.46 126 A 1 ATOM 1008 C C . PRO A 1 126 ? -15.213 27.487 17.964 1.00 30.01 126 A 1 ATOM 1009 O O . PRO A 1 126 ? -14.568 26.504 18.314 1.00 28.63 126 A 1 ATOM 1010 C CB . PRO A 1 126 ? -17.159 26.389 16.697 1.00 27.74 126 A 1 ATOM 1011 C CG . PRO A 1 126 ? -16.589 25.419 15.655 1.00 27.16 126 A 1 ATOM 1012 C CD . PRO A 1 126 ? -15.306 26.069 15.124 1.00 29.04 126 A 1 ATOM 1013 N N . LYS A 1 127 ? -15.235 28.638 18.625 1.00 29.52 127 A 1 ATOM 1014 C CA . LYS A 1 127 ? -14.939 28.958 20.022 1.00 34.75 127 A 1 ATOM 1015 C C . LYS A 1 127 ? -15.034 27.791 21.023 1.00 33.75 127 A 1 ATOM 1016 O O . LYS A 1 127 ? -15.970 27.003 21.020 1.00 32.80 127 A 1 ATOM 1017 C CB . LYS A 1 127 ? -15.967 30.061 20.351 1.00 33.44 127 A 1 ATOM 1018 C CG . LYS A 1 127 ? -15.674 30.956 21.536 1.00 28.93 127 A 1 ATOM 1019 C CD . LYS A 1 127 ? -16.694 32.109 21.535 1.00 25.91 127 A 1 ATOM 1020 C CE . LYS A 1 127 ? -16.399 33.133 22.627 1.00 22.79 127 A 1 ATOM 1021 N NZ . LYS A 1 127 ? -17.346 34.277 22.552 1.00 22.16 127 A 1 ATOM 1022 N N . ALA A 1 128 ? -14.081 27.810 21.934 1.00 26.60 128 A 1 ATOM 1023 C CA . ALA A 1 128 ? -13.897 26.924 23.080 1.00 34.45 128 A 1 ATOM 1024 C C . ALA A 1 128 ? -15.177 26.542 23.851 1.00 34.24 128 A 1 ATOM 1025 O O . ALA A 1 128 ? -15.932 27.404 24.304 1.00 33.22 128 A 1 ATOM 1026 C CB . ALA A 1 128 ? -12.928 27.654 24.022 1.00 32.36 128 A 1 ATOM 1027 N N . ALA A 1 129 ? -15.303 25.255 24.138 1.00 27.34 129 A 1 ATOM 1028 C CA . ALA A 1 129 ? -16.094 24.727 25.246 1.00 33.72 129 A 1 ATOM 1029 C C . ALA A 1 129 ? -15.323 23.580 25.925 1.00 33.26 129 A 1 ATOM 1030 O O . ALA A 1 129 ? -14.723 22.729 25.268 1.00 32.53 129 A 1 ATOM 1031 C CB . ALA A 1 129 ? -17.485 24.318 24.756 1.00 32.19 129 A 1 ATOM 1032 N N . ALA A 1 130 ? -15.297 23.621 27.256 1.00 25.91 130 A 1 ATOM 1033 C CA . ALA A 1 130 ? -14.512 22.795 28.174 1.00 32.31 130 A 1 ATOM 1034 C C . ALA A 1 130 ? -14.842 21.277 28.114 1.00 32.07 130 A 1 ATOM 1035 O O . ALA A 1 130 ? -15.923 20.894 27.659 1.00 31.10 130 A 1 ATOM 1036 C CB . ALA A 1 130 ? -14.756 23.380 29.572 1.00 30.96 130 A 1 ATOM 1037 N N . PRO A 1 131 ? -13.931 20.403 28.582 1.00 31.49 131 A 1 ATOM 1038 C CA . PRO A 1 131 ? -14.011 18.975 28.313 1.00 35.81 131 A 1 ATOM 1039 C C . PRO A 1 131 ? -14.921 18.249 29.312 1.00 36.18 131 A 1 ATOM 1040 O O . PRO A 1 131 ? -14.687 18.280 30.519 1.00 34.91 131 A 1 ATOM 1041 C CB . PRO A 1 131 ? -12.563 18.481 28.394 1.00 33.21 131 A 1 ATOM 1042 C CG . PRO A 1 131 ? -11.936 19.395 29.451 1.00 32.17 131 A 1 ATOM 1043 C CD . PRO A 1 131 ? -12.698 20.710 29.280 1.00 33.68 131 A 1 ATOM 1044 N N . LYS A 1 132 ? -15.898 17.494 28.796 1.00 31.50 132 A 1 ATOM 1045 C CA . LYS A 1 132 ? -16.488 16.364 29.523 1.00 36.24 132 A 1 ATOM 1046 C C . LYS A 1 132 ? -15.659 15.119 29.217 1.00 35.24 132 A 1 ATOM 1047 O O . LYS A 1 132 ? -15.454 14.767 28.055 1.00 33.53 132 A 1 ATOM 1048 C CB . LYS A 1 132 ? -17.982 16.196 29.197 1.00 35.19 132 A 1 ATOM 1049 C CG . LYS A 1 132 ? -18.818 17.314 29.839 1.00 31.62 132 A 1 ATOM 1050 C CD . LYS A 1 132 ? -20.323 17.087 29.622 1.00 28.95 132 A 1 ATOM 1051 C CE . LYS A 1 132 ? -21.132 18.200 30.310 1.00 25.82 132 A 1 ATOM 1052 N NZ . LYS A 1 132 ? -22.594 18.010 30.116 1.00 24.61 132 A 1 ATOM 1053 N N . GLN A 1 133 ? -15.120 14.515 30.262 1.00 32.39 133 A 1 ATOM 1054 C CA . GLN A 1 133 ? -14.393 13.256 30.227 1.00 34.76 133 A 1 ATOM 1055 C C . GLN A 1 133 ? -15.388 12.113 30.016 1.00 35.41 133 A 1 ATOM 1056 O O . GLN A 1 133 ? -16.161 11.816 30.920 1.00 33.67 133 A 1 ATOM 1057 C CB . GLN A 1 133 ? -13.653 13.059 31.563 1.00 32.54 133 A 1 ATOM 1058 C CG . GLN A 1 133 ? -12.439 13.980 31.750 1.00 29.90 133 A 1 ATOM 1059 C CD . GLN A 1 133 ? -11.748 13.771 33.100 1.00 26.88 133 A 1 ATOM 1060 O OE1 . GLN A 1 133 ? -12.306 13.261 34.055 1.00 25.92 133 A 1 ATOM 1061 N NE2 . GLN A 1 133 ? -10.506 14.164 33.248 1.00 26.26 133 A 1 ATOM 1062 N N . ASP A 1 134 ? -15.297 11.448 28.870 1.00 34.46 134 A 1 ATOM 1063 C CA . ASP A 1 134 ? -15.788 10.080 28.708 1.00 39.75 134 A 1 ATOM 1064 C C . ASP A 1 134 ? -14.644 9.159 28.271 1.00 38.53 134 A 1 ATOM 1065 O O . ASP A 1 134 ? -13.789 9.487 27.433 1.00 36.33 134 A 1 ATOM 1066 C CB . ASP A 1 134 ? -17.021 10.013 27.794 1.00 38.01 134 A 1 ATOM 1067 C CG . ASP A 1 134 ? -18.307 10.365 28.543 1.00 33.28 134 A 1 ATOM 1068 O OD1 . ASP A 1 134 ? -18.537 9.727 29.598 1.00 30.03 134 A 1 ATOM 1069 O OD2 . ASP A 1 134 ? -19.052 11.237 28.043 1.00 29.79 134 A 1 ATOM 1070 N N . VAL A 1 135 ? -14.590 8.025 28.954 1.00 32.70 135 A 1 ATOM 1071 C CA . VAL A 1 135 ? -13.476 7.086 29.029 1.00 38.27 135 A 1 ATOM 1072 C C . VAL A 1 135 ? -13.514 6.092 27.853 1.00 40.55 135 A 1 ATOM 1073 O O . VAL A 1 135 ? -14.567 5.578 27.496 1.00 38.58 135 A 1 ATOM 1074 C CB . VAL A 1 135 ? -13.566 6.407 30.426 1.00 34.20 135 A 1 ATOM 1075 C CG1 . VAL A 1 135 ? -12.623 5.225 30.633 1.00 29.42 135 A 1 ATOM 1076 C CG2 . VAL A 1 135 ? -13.238 7.415 31.540 1.00 30.18 135 A 1 ATOM 1077 N N . LYS A 1 136 ? -12.310 5.754 27.338 1.00 37.23 136 A 1 ATOM 1078 C CA . LYS A 1 136 ? -11.945 4.658 26.402 1.00 43.62 136 A 1 ATOM 1079 C C . LYS A 1 136 ? -12.162 4.879 24.901 1.00 45.45 136 A 1 ATOM 1080 O O . LYS A 1 136 ? -12.960 4.199 24.257 1.00 44.43 136 A 1 ATOM 1081 C CB . LYS A 1 136 ? -12.497 3.287 26.859 1.00 41.03 136 A 1 ATOM 1082 C CG . LYS A 1 136 ? -11.919 2.791 28.185 1.00 36.50 136 A 1 ATOM 1083 C CD . LYS A 1 136 ? -12.629 1.509 28.619 1.00 32.59 136 A 1 ATOM 1084 C CE . LYS A 1 136 ? -12.070 1.022 29.958 1.00 28.47 136 A 1 ATOM 1085 N NZ . LYS A 1 136 ? -12.802 -0.174 30.457 1.00 26.36 136 A 1 ATOM 1086 N N . THR A 1 137 ? -11.248 5.595 24.307 1.00 51.67 137 A 1 ATOM 1087 C CA . THR A 1 137 ? -10.399 5.140 23.186 1.00 55.25 137 A 1 ATOM 1088 C C . THR A 1 137 ? -9.110 5.951 23.268 1.00 57.38 137 A 1 ATOM 1089 O O . THR A 1 137 ? -9.162 7.127 23.628 1.00 54.70 137 A 1 ATOM 1090 C CB . THR A 1 137 ? -11.045 5.312 21.796 1.00 51.79 137 A 1 ATOM 1091 O OG1 . THR A 1 137 ? -11.961 6.377 21.765 1.00 45.70 137 A 1 ATOM 1092 C CG2 . THR A 1 137 ? -11.778 4.061 21.326 1.00 45.24 137 A 1 ATOM 1093 N N . ALA A 1 138 ? -7.947 5.332 23.043 1.00 58.86 138 A 1 ATOM 1094 C CA . ALA A 1 138 ? -6.657 6.017 23.139 1.00 60.58 138 A 1 ATOM 1095 C C . ALA A 1 138 ? -6.664 7.249 22.219 1.00 61.80 138 A 1 ATOM 1096 O O . ALA A 1 138 ? -6.568 7.136 20.991 1.00 58.83 138 A 1 ATOM 1097 C CB . ALA A 1 138 ? -5.544 5.024 22.795 1.00 56.89 138 A 1 ATOM 1098 N N . ARG A 1 139 ? -6.877 8.412 22.814 1.00 75.40 139 A 1 ATOM 1099 C CA . ARG A 1 139 ? -7.025 9.684 22.122 1.00 76.87 139 A 1 ATOM 1100 C C . ARG A 1 139 ? -5.654 10.017 21.556 1.00 79.90 139 A 1 ATOM 1101 O O . ARG A 1 139 ? -4.698 10.161 22.309 1.00 76.64 139 A 1 ATOM 1102 C CB . ARG A 1 139 ? -7.587 10.732 23.108 1.00 69.74 139 A 1 ATOM 1103 C CG . ARG A 1 139 ? -8.380 11.855 22.432 1.00 58.47 139 A 1 ATOM 1104 C CD . ARG A 1 139 ? -9.044 12.739 23.497 1.00 56.07 139 A 1 ATOM 1105 N NE . ARG A 1 139 ? -10.034 13.682 22.928 1.00 49.43 139 A 1 ATOM 1106 C CZ . ARG A 1 139 ? -10.977 14.323 23.603 1.00 43.03 139 A 1 ATOM 1107 N NH1 . ARG A 1 139 ? -11.112 14.208 24.895 1.00 40.59 139 A 1 ATOM 1108 N NH2 . ARG A 1 139 ? -11.822 15.100 22.989 1.00 38.53 139 A 1 ATOM 1109 N N . CYS A 1 140 ? -5.530 10.037 20.236 1.00 81.19 140 A 1 ATOM 1110 C CA . CYS A 1 140 ? -4.262 10.426 19.630 1.00 81.86 140 A 1 ATOM 1111 C C . CYS A 1 140 ? -3.999 11.893 19.959 1.00 83.73 140 A 1 ATOM 1112 O O . CYS A 1 140 ? -4.883 12.719 19.720 1.00 78.69 140 A 1 ATOM 1113 C CB . CYS A 1 140 ? -4.309 10.232 18.122 1.00 75.83 140 A 1 ATOM 1114 S SG . CYS A 1 140 ? -4.514 8.486 17.690 1.00 66.21 140 A 1 ATOM 1115 N N . ASP A 1 141 ? -2.807 12.201 20.444 1.00 88.98 141 A 1 ATOM 1116 C CA . ASP A 1 141 ? -2.412 13.572 20.744 1.00 90.41 141 A 1 ATOM 1117 C C . ASP A 1 141 ? -2.398 14.402 19.459 1.00 91.79 141 A 1 ATOM 1118 O O . ASP A 1 141 ? -1.881 13.976 18.420 1.00 89.43 141 A 1 ATOM 1119 C CB . ASP A 1 141 ? -1.050 13.599 21.445 1.00 87.11 141 A 1 ATOM 1120 C CG . ASP A 1 141 ? -1.058 12.812 22.755 1.00 79.47 141 A 1 ATOM 1121 O OD1 . ASP A 1 141 ? -2.051 12.952 23.501 1.00 71.52 141 A 1 ATOM 1122 O OD2 . ASP A 1 141 ? -0.099 12.033 22.948 1.00 70.74 141 A 1 ATOM 1123 N N . PHE A 1 142 ? -2.980 15.589 19.535 1.00 92.51 142 A 1 ATOM 1124 C CA . PHE A 1 142 ? -3.013 16.562 18.449 1.00 92.71 142 A 1 ATOM 1125 C C . PHE A 1 142 ? -2.334 17.847 18.913 1.00 93.21 142 A 1 ATOM 1126 O O . PHE A 1 142 ? -2.714 18.423 19.929 1.00 90.31 142 A 1 ATOM 1127 C CB . PHE A 1 142 ? -4.456 16.801 18.008 1.00 90.22 142 A 1 ATOM 1128 C CG . PHE A 1 142 ? -4.579 17.695 16.788 1.00 86.18 142 A 1 ATOM 1129 C CD1 . PHE A 1 142 ? -4.806 19.078 16.933 1.00 80.22 142 A 1 ATOM 1130 C CD2 . PHE A 1 142 ? -4.484 17.137 15.499 1.00 79.34 142 A 1 ATOM 1131 C CE1 . PHE A 1 142 ? -4.964 19.888 15.799 1.00 75.71 142 A 1 ATOM 1132 C CE2 . PHE A 1 142 ? -4.645 17.950 14.363 1.00 77.18 142 A 1 ATOM 1133 C CZ . PHE A 1 142 ? -4.895 19.324 14.510 1.00 76.62 142 A 1 ATOM 1134 N N . LYS A 1 143 ? -1.306 18.284 18.181 1.00 92.42 143 A 1 ATOM 1135 C CA . LYS A 1 143 ? -0.531 19.489 18.485 1.00 92.76 143 A 1 ATOM 1136 C C . LYS A 1 143 ? -0.084 20.149 17.183 1.00 92.71 143 A 1 ATOM 1137 O O . LYS A 1 143 ? 0.253 19.450 16.232 1.00 90.09 143 A 1 ATOM 1138 C CB . LYS A 1 143 ? 0.658 19.101 19.384 1.00 91.18 143 A 1 ATOM 1139 C CG . LYS A 1 143 ? 1.370 20.311 19.993 1.00 85.76 143 A 1 ATOM 1140 C CD . LYS A 1 143 ? 2.585 19.891 20.826 1.00 83.98 143 A 1 ATOM 1141 C CE . LYS A 1 143 ? 3.309 21.141 21.335 1.00 77.40 143 A 1 ATOM 1142 N NZ . LYS A 1 143 ? 4.614 20.816 21.959 1.00 70.22 143 A 1 ATOM 1143 N N . ASN A 1 144 ? -0.094 21.473 17.127 1.00 91.52 144 A 1 ATOM 1144 C CA . ASN A 1 144 ? 0.371 22.268 15.982 1.00 91.70 144 A 1 ATOM 1145 C C . ASN A 1 144 ? -0.226 21.830 14.620 1.00 91.91 144 A 1 ATOM 1146 O O . ASN A 1 144 ? 0.455 21.815 13.600 1.00 87.47 144 A 1 ATOM 1147 C CB . ASN A 1 144 ? 1.913 22.311 15.992 1.00 90.15 144 A 1 ATOM 1148 C CG . ASN A 1 144 ? 2.498 22.839 17.291 1.00 88.79 144 A 1 ATOM 1149 O OD1 . ASN A 1 144 ? 1.889 23.606 18.019 1.00 79.67 144 A 1 ATOM 1150 N ND2 . ASN A 1 144 ? 3.690 22.413 17.634 1.00 79.00 144 A 1 ATOM 1151 N N . GLY A 1 145 ? -1.481 21.401 14.595 1.00 92.02 145 A 1 ATOM 1152 C CA . GLY A 1 145 ? -2.132 20.929 13.366 1.00 91.34 145 A 1 ATOM 1153 C C . GLY A 1 145 ? -1.743 19.513 12.916 1.00 91.85 145 A 1 ATOM 1154 O O . GLY A 1 145 ? -2.206 19.062 11.871 1.00 88.56 145 A 1 ATOM 1155 N N . ALA A 1 146 ? -0.929 18.794 13.686 1.00 93.04 146 A 1 ATOM 1156 C CA . ALA A 1 146 ? -0.522 17.424 13.389 1.00 93.44 146 A 1 ATOM 1157 C C . ALA A 1 146 ? -1.004 16.437 14.463 1.00 93.39 146 A 1 ATOM 1158 O O . ALA A 1 146 ? -1.051 16.734 15.652 1.00 90.74 146 A 1 ATOM 1159 C CB . ALA A 1 146 ? 0.993 17.381 13.189 1.00 92.50 146 A 1 ATOM 1160 N N . ARG A 1 147 ? -1.358 15.229 14.022 1.00 94.19 147 A 1 ATOM 1161 C CA . ARG A 1 147 ? -1.830 14.134 14.883 1.00 93.83 147 A 1 ATOM 1162 C C . ARG A 1 147 ? -0.730 13.096 15.064 1.00 94.62 147 A 1 ATOM 1163 O O . ARG A 1 147 ? -0.297 12.500 14.078 1.00 93.06 147 A 1 ATOM 1164 C CB . ARG A 1 147 ? -3.102 13.537 14.270 1.00 91.20 147 A 1 ATOM 1165 C CG . ARG A 1 147 ? -3.727 12.443 15.149 1.00 80.39 147 A 1 ATOM 1166 C CD . ARG A 1 147 ? -5.014 11.948 14.498 1.00 77.51 147 A 1 ATOM 1167 N NE . ARG A 1 147 ? -5.666 10.874 15.274 1.00 69.13 147 A 1 ATOM 1168 C CZ . ARG A 1 147 ? -5.844 9.610 14.917 1.00 62.10 147 A 1 ATOM 1169 N NH1 . ARG A 1 147 ? -5.335 9.111 13.830 1.00 57.64 147 A 1 ATOM 1170 N NH2 . ARG A 1 147 ? -6.561 8.817 15.650 1.00 53.45 147 A 1 ATOM 1171 N N . LYS A 1 148 ? -0.335 12.828 16.305 1.00 93.19 148 A 1 ATOM 1172 C CA . LYS A 1 148 ? 0.658 11.787 16.613 1.00 93.50 148 A 1 ATOM 1173 C C . LYS A 1 148 ? 0.061 10.390 16.386 1.00 93.99 148 A 1 ATOM 1174 O O . LYS A 1 148 ? -0.974 10.066 16.968 1.00 91.56 148 A 1 ATOM 1175 C CB . LYS A 1 148 ? 1.194 11.973 18.043 1.00 91.64 148 A 1 ATOM 1176 C CG . LYS A 1 148 ? 2.402 11.062 18.321 1.00 89.32 148 A 1 ATOM 1177 C CD . LYS A 1 148 ? 3.088 11.419 19.646 1.00 86.39 148 A 1 ATOM 1178 C CE . LYS A 1 148 ? 4.340 10.552 19.844 1.00 81.52 148 A 1 ATOM 1179 N NZ . LYS A 1 148 ? 5.201 11.044 20.942 1.00 74.50 148 A 1 ATOM 1180 N N . PRO A 1 149 ? 0.684 9.543 15.549 1.00 93.80 149 A 1 ATOM 1181 C CA . PRO A 1 149 ? 0.228 8.172 15.353 1.00 93.31 149 A 1 ATOM 1182 C C . PRO A 1 149 ? 0.546 7.311 16.585 1.00 93.55 149 A 1 ATOM 1183 O O . PRO A 1 149 ? 1.620 7.411 17.168 1.00 90.95 149 A 1 ATOM 1184 C CB . PRO A 1 149 ? 0.945 7.687 14.089 1.00 90.92 149 A 1 ATOM 1185 C CG . PRO A 1 149 ? 2.252 8.476 14.098 1.00 88.62 149 A 1 ATOM 1186 C CD . PRO A 1 149 ? 1.859 9.812 14.722 1.00 91.91 149 A 1 ATOM 1187 N N . LEU A 1 150 ? -0.379 6.427 16.958 1.00 91.66 150 A 1 ATOM 1188 C CA . LEU A 1 150 ? -0.211 5.544 18.123 1.00 91.10 150 A 1 ATOM 1189 C C . LEU A 1 150 ? 0.527 4.241 17.796 1.00 91.57 150 A 1 ATOM 1190 O O . LEU A 1 150 ? 1.228 3.699 18.647 1.00 87.56 150 A 1 ATOM 1191 C CB . LEU A 1 150 ? -1.592 5.209 18.711 1.00 88.16 150 A 1 ATOM 1192 C CG . LEU A 1 150 ? -2.319 6.396 19.364 1.00 81.87 150 A 1 ATOM 1193 C CD1 . LEU A 1 150 ? -3.722 5.933 19.764 1.00 74.64 150 A 1 ATOM 1194 C CD2 . LEU A 1 150 ? -1.605 6.898 20.620 1.00 73.34 150 A 1 ATOM 1195 N N . LYS A 1 151 ? 0.326 3.686 16.595 1.00 92.25 151 A 1 ATOM 1196 C CA . LYS A 1 151 ? 0.853 2.378 16.179 1.00 92.32 151 A 1 ATOM 1197 C C . LYS A 1 151 ? 1.089 2.315 14.670 1.00 92.87 151 A 1 ATOM 1198 O O . LYS A 1 151 ? 0.486 3.070 13.906 1.00 88.91 151 A 1 ATOM 1199 C CB . LYS A 1 151 ? -0.106 1.237 16.605 1.00 88.91 151 A 1 ATOM 1200 C CG . LYS A 1 151 ? -0.233 1.079 18.128 1.00 80.94 151 A 1 ATOM 1201 C CD . LYS A 1 151 ? -1.032 -0.175 18.519 1.00 77.43 151 A 1 ATOM 1202 C CE . LYS A 1 151 ? -1.104 -0.267 20.048 1.00 68.22 151 A 1 ATOM 1203 N NZ . LYS A 1 151 ? -1.833 -1.477 20.509 1.00 58.13 151 A 1 ATOM 1204 N N . GLY A 1 152 ? 1.894 1.334 14.260 1.00 91.65 152 A 1 ATOM 1205 C CA . GLY A 1 152 ? 2.156 0.994 12.865 1.00 91.92 152 A 1 ATOM 1206 C C . GLY A 1 152 ? 3.345 1.748 12.268 1.00 93.33 152 A 1 ATOM 1207 O O . GLY A 1 152 ? 4.017 2.518 12.952 1.00 91.07 152 A 1 ATOM 1208 N N . LYS A 1 153 ? 3.567 1.554 10.970 1.00 92.47 153 A 1 ATOM 1209 C CA . LYS A 1 153 ? 4.719 2.115 10.244 1.00 92.77 153 A 1 ATOM 1210 C C . LYS A 1 153 ? 4.862 3.636 10.397 1.00 94.26 153 A 1 ATOM 1211 O O . LYS A 1 153 ? 5.966 4.157 10.452 1.00 92.72 153 A 1 ATOM 1212 C CB . LYS A 1 153 ? 4.623 1.758 8.750 1.00 90.52 153 A 1 ATOM 1213 C CG . LYS A 1 153 ? 4.729 0.245 8.504 1.00 85.31 153 A 1 ATOM 1214 C CD . LYS A 1 153 ? 4.840 -0.068 7.008 1.00 78.31 153 A 1 ATOM 1215 C CE . LYS A 1 153 ? 5.047 -1.571 6.819 1.00 72.51 153 A 1 ATOM 1216 N NZ . LYS A 1 153 ? 5.365 -1.919 5.413 1.00 64.83 153 A 1 ATOM 1217 N N . THR A 1 154 ? 3.753 4.354 10.492 1.00 93.06 154 A 1 ATOM 1218 C CA . THR A 1 154 ? 3.761 5.801 10.721 1.00 92.95 154 A 1 ATOM 1219 C C . THR A 1 154 ? 4.326 6.167 12.095 1.00 94.07 154 A 1 ATOM 1220 O O . THR A 1 154 ? 5.102 7.110 12.189 1.00 92.48 154 A 1 ATOM 1221 C CB . THR A 1 154 ? 2.352 6.381 10.565 1.00 90.27 154 A 1 ATOM 1222 O OG1 . THR A 1 154 ? 1.419 5.652 11.334 1.00 81.62 154 A 1 ATOM 1223 C CG2 . THR A 1 154 ? 1.854 6.298 9.122 1.00 78.13 154 A 1 ATOM 1224 N N . ALA A 1 155 ? 4.002 5.412 13.140 1.00 94.53 155 A 1 ATOM 1225 C CA . ALA A 1 155 ? 4.549 5.625 14.478 1.00 94.92 155 A 1 ATOM 1226 C C . ALA A 1 155 ? 6.056 5.321 14.540 1.00 95.59 155 A 1 ATOM 1227 O O . ALA A 1 155 ? 6.792 6.027 15.224 1.00 94.94 155 A 1 ATOM 1228 C CB . ALA A 1 155 ? 3.762 4.777 15.483 1.00 94.14 155 A 1 ATOM 1229 N N . GLU A 1 156 ? 6.520 4.330 13.778 1.00 94.98 156 A 1 ATOM 1230 C CA . GLU A 1 156 ? 7.946 3.996 13.663 1.00 94.62 156 A 1 ATOM 1231 C C . GLU A 1 156 ? 8.753 5.129 13.015 1.00 95.10 156 A 1 ATOM 1232 O O . GLU A 1 156 ? 9.835 5.461 13.493 1.00 94.03 156 A 1 ATOM 1233 C CB . GLU A 1 156 ? 8.102 2.703 12.854 1.00 93.61 156 A 1 ATOM 1234 C CG . GLU A 1 156 ? 7.523 1.468 13.574 1.00 89.55 156 A 1 ATOM 1235 C CD . GLU A 1 156 ? 7.317 0.265 12.639 1.00 85.36 156 A 1 ATOM 1236 O OE1 . GLU A 1 156 ? 6.687 -0.723 13.093 1.00 76.23 156 A 1 ATOM 1237 O OE2 . GLU A 1 156 ? 7.659 0.370 11.447 1.00 76.96 156 A 1 ATOM 1238 N N . VAL A 1 157 ? 8.203 5.775 11.985 1.00 94.39 157 A 1 ATOM 1239 C CA . VAL A 1 157 ? 8.827 6.969 11.380 1.00 94.53 157 A 1 ATOM 1240 C C . VAL A 1 157 ? 8.947 8.100 12.408 1.00 95.36 157 A 1 ATOM 1241 O O . VAL A 1 157 ? 9.997 8.728 12.511 1.00 94.83 157 A 1 ATOM 1242 C CB . VAL A 1 157 ? 8.063 7.437 10.122 1.00 94.01 157 A 1 ATOM 1243 C CG1 . VAL A 1 157 ? 8.675 8.704 9.510 1.00 91.33 157 A 1 ATOM 1244 C CG2 . VAL A 1 157 ? 8.070 6.377 9.012 1.00 90.31 157 A 1 ATOM 1245 N N . TRP A 1 158 ? 7.917 8.332 13.214 1.00 96.28 158 A 1 ATOM 1246 C CA . TRP A 1 158 ? 7.957 9.359 14.264 1.00 96.38 158 A 1 ATOM 1247 C C . TRP A 1 158 ? 8.972 9.025 15.363 1.00 96.71 158 A 1 ATOM 1248 O O . TRP A 1 158 ? 9.736 9.893 15.766 1.00 96.06 158 A 1 ATOM 1249 C CB . TRP A 1 158 ? 6.563 9.543 14.858 1.00 95.98 158 A 1 ATOM 1250 C CG . TRP A 1 158 ? 5.602 10.331 14.024 1.00 96.13 158 A 1 ATOM 1251 C CD1 . TRP A 1 158 ? 5.291 10.123 12.728 1.00 94.34 158 A 1 ATOM 1252 C CD2 . TRP A 1 158 ? 4.790 11.463 14.448 1.00 95.52 158 A 1 ATOM 1253 N NE1 . TRP A 1 158 ? 4.348 11.038 12.319 1.00 94.76 158 A 1 ATOM 1254 C CE2 . TRP A 1 158 ? 3.996 11.878 13.339 1.00 95.27 158 A 1 ATOM 1255 C CE3 . TRP A 1 158 ? 4.642 12.162 15.665 1.00 94.64 158 A 1 ATOM 1256 C CZ2 . TRP A 1 158 ? 3.087 12.942 13.435 1.00 94.34 158 A 1 ATOM 1257 C CZ3 . TRP A 1 158 ? 3.735 13.229 15.765 1.00 93.00 158 A 1 ATOM 1258 C CH2 . TRP A 1 158 ? 2.955 13.619 14.656 1.00 92.87 158 A 1 ATOM 1259 N N . ALA A 1 159 ? 9.028 7.770 15.792 1.00 95.65 159 A 1 ATOM 1260 C CA . ALA A 1 159 ? 10.018 7.313 16.765 1.00 95.28 159 A 1 ATOM 1261 C C . ALA A 1 159 ? 11.458 7.475 16.250 1.00 95.49 159 A 1 ATOM 1262 O O . ALA A 1 159 ? 12.345 7.867 17.009 1.00 94.70 159 A 1 ATOM 1263 C CB . ALA A 1 159 ? 9.709 5.853 17.112 1.00 94.77 159 A 1 ATOM 1264 N N . MET A 1 160 ? 11.685 7.225 14.955 1.00 95.90 160 A 1 ATOM 1265 C CA . MET A 1 160 ? 12.980 7.480 14.324 1.00 95.84 160 A 1 ATOM 1266 C C . MET A 1 160 ? 13.314 8.977 14.288 1.00 96.25 160 A 1 ATOM 1267 O O . MET A 1 160 ? 14.447 9.347 14.572 1.00 95.85 160 A 1 ATOM 1268 C CB . MET A 1 160 ? 13.005 6.872 12.913 1.00 95.51 160 A 1 ATOM 1269 C CG . MET A 1 160 ? 14.406 6.936 12.293 1.00 90.21 160 A 1 ATOM 1270 S SD . MET A 1 160 ? 15.690 6.030 13.210 1.00 84.82 160 A 1 ATOM 1271 C CE . MET A 1 160 ? 15.273 4.325 12.764 1.00 74.60 160 A 1 ATOM 1272 N N . GLY A 1 161 ? 12.338 9.844 14.006 1.00 95.61 161 A 1 ATOM 1273 C CA . GLY A 1 161 ? 12.510 11.295 14.085 1.00 95.08 161 A 1 ATOM 1274 C C . GLY A 1 161 ? 12.930 11.760 15.481 1.00 95.75 161 A 1 ATOM 1275 O O . GLY A 1 161 ? 13.919 12.477 15.618 1.00 95.44 161 A 1 ATOM 1276 N N . ASP A 1 162 ? 12.247 11.279 16.513 1.00 96.52 162 A 1 ATOM 1277 C CA . ASP A 1 162 ? 12.577 11.579 17.915 1.00 96.31 162 A 1 ATOM 1278 C C . ASP A 1 162 ? 13.981 11.072 18.299 1.00 96.76 162 A 1 ATOM 1279 O O . ASP A 1 162 ? 14.689 11.712 19.081 1.00 95.79 162 A 1 ATOM 1280 C CB . ASP A 1 162 ? 11.532 10.935 18.850 1.00 95.10 162 A 1 ATOM 1281 C CG . ASP A 1 162 ? 10.123 11.547 18.793 1.00 93.04 162 A 1 ATOM 1282 O OD1 . ASP A 1 162 ? 9.975 12.700 18.333 1.00 87.11 162 A 1 ATOM 1283 O OD2 . ASP A 1 162 ? 9.176 10.874 19.275 1.00 85.93 162 A 1 ATOM 1284 N N . LYS A 1 163 ? 14.389 9.924 17.755 1.00 96.78 163 A 1 ATOM 1285 C CA . LYS A 1 163 ? 15.730 9.359 17.953 1.00 96.56 163 A 1 ATOM 1286 C C . LYS A 1 163 ? 16.805 10.228 17.296 1.00 96.77 163 A 1 ATOM 1287 O O . LYS A 1 163 ? 17.733 10.646 17.982 1.00 96.10 163 A 1 ATOM 1288 C CB . LYS A 1 163 ? 15.749 7.907 17.446 1.00 96.12 163 A 1 ATOM 1289 C CG . LYS A 1 163 ? 17.102 7.244 17.710 1.00 88.77 163 A 1 ATOM 1290 C CD . LYS A 1 163 ? 17.152 5.805 17.185 1.00 86.08 163 A 1 ATOM 1291 C CE . LYS A 1 163 ? 18.607 5.349 17.328 1.00 78.34 163 A 1 ATOM 1292 N NZ . LYS A 1 163 ? 18.870 4.009 16.772 1.00 71.55 163 A 1 ATOM 1293 N N . LEU A 1 164 ? 16.645 10.561 16.018 1.00 96.30 164 A 1 ATOM 1294 C CA . LEU A 1 164 ? 17.592 11.402 15.280 1.00 95.90 164 A 1 ATOM 1295 C C . LEU A 1 164 ? 17.699 12.807 15.879 1.00 96.11 164 A 1 ATOM 1296 O O . LEU A 1 164 ? 18.796 13.344 15.968 1.00 95.39 164 A 1 ATOM 1297 C CB . LEU A 1 164 ? 17.172 11.480 13.806 1.00 95.76 164 A 1 ATOM 1298 C CG . LEU A 1 164 ? 17.379 10.182 13.001 1.00 94.09 164 A 1 ATOM 1299 C CD1 . LEU A 1 164 ? 16.780 10.361 11.607 1.00 87.44 164 A 1 ATOM 1300 C CD2 . LEU A 1 164 ? 18.857 9.821 12.839 1.00 87.31 164 A 1 ATOM 1301 N N . LEU A 1 165 ? 16.598 13.386 16.344 1.00 96.07 165 A 1 ATOM 1302 C CA . LEU A 1 165 ? 16.608 14.680 17.030 1.00 95.90 165 A 1 ATOM 1303 C C . LEU A 1 165 ? 17.485 14.644 18.291 1.00 96.01 165 A 1 ATOM 1304 O O . LEU A 1 165 ? 18.237 15.581 18.539 1.00 95.15 165 A 1 ATOM 1305 C CB . LEU A 1 165 ? 15.158 15.070 17.364 1.00 95.30 165 A 1 ATOM 1306 C CG . LEU A 1 165 ? 15.012 16.453 18.023 1.00 92.91 165 A 1 ATOM 1307 C CD1 . LEU A 1 165 ? 15.381 17.590 17.069 1.00 85.62 165 A 1 ATOM 1308 C CD2 . LEU A 1 165 ? 13.565 16.664 18.475 1.00 85.40 165 A 1 ATOM 1309 N N . LYS A 1 166 ? 17.412 13.561 19.067 1.00 96.55 166 A 1 ATOM 1310 C CA . LYS A 1 166 ? 18.240 13.377 20.271 1.00 96.40 166 A 1 ATOM 1311 C C . LYS A 1 166 ? 19.709 13.129 19.938 1.00 96.35 166 A 1 ATOM 1312 O O . LYS A 1 166 ? 20.573 13.653 20.629 1.00 95.21 166 A 1 ATOM 1313 C CB . LYS A 1 166 ? 17.698 12.213 21.103 1.00 95.89 166 A 1 ATOM 1314 C CG . LYS A 1 166 ? 16.378 12.559 21.795 1.00 88.74 166 A 1 ATOM 1315 C CD . LYS A 1 166 ? 15.812 11.304 22.464 1.00 85.00 166 A 1 ATOM 1316 C CE . LYS A 1 166 ? 14.455 11.620 23.086 1.00 77.20 166 A 1 ATOM 1317 N NZ . LYS A 1 166 ? 13.878 10.426 23.749 1.00 69.41 166 A 1 ATOM 1318 N N . GLU A 1 167 ? 19.984 12.335 18.907 1.00 95.95 167 A 1 ATOM 1319 C CA . GLU A 1 167 ? 21.352 11.982 18.504 1.00 95.61 167 A 1 ATOM 1320 C C . GLU A 1 167 ? 22.095 13.154 17.853 1.00 95.59 167 A 1 ATOM 1321 O O . GLU A 1 167 ? 23.270 13.366 18.132 1.00 93.97 167 A 1 ATOM 1322 C CB . GLU A 1 167 ? 21.314 10.780 17.546 1.00 95.11 167 A 1 ATOM 1323 C CG . GLU A 1 167 ? 20.973 9.475 18.282 1.00 88.52 167 A 1 ATOM 1324 C CD . GLU A 1 167 ? 20.847 8.249 17.362 1.00 84.20 167 A 1 ATOM 1325 O OE1 . GLU A 1 167 ? 20.738 7.127 17.918 1.00 76.78 167 A 1 ATOM 1326 O OE2 . GLU A 1 167 ? 20.779 8.391 16.127 1.00 77.24 167 A 1 ATOM 1327 N N . LEU A 1 168 ? 21.414 13.921 17.011 1.00 95.54 168 A 1 ATOM 1328 C CA . LEU A 1 168 ? 22.010 15.042 16.281 1.00 94.80 168 A 1 ATOM 1329 C C . LEU A 1 168 ? 21.992 16.353 17.077 1.00 94.90 168 A 1 ATOM 1330 O O . LEU A 1 168 ? 22.714 17.285 16.725 1.00 92.42 168 A 1 ATOM 1331 C CB . LEU A 1 168 ? 21.284 15.208 14.931 1.00 94.02 168 A 1 ATOM 1332 C CG . LEU A 1 168 ? 21.392 14.001 13.979 1.00 91.53 168 A 1 ATOM 1333 C CD1 . LEU A 1 168 ? 20.482 14.224 12.770 1.00 84.36 168 A 1 ATOM 1334 C CD2 . LEU A 1 168 ? 22.822 13.803 13.467 1.00 83.74 168 A 1 ATOM 1335 N N . GLY A 1 169 ? 21.144 16.479 18.099 1.00 94.85 169 A 1 ATOM 1336 C CA . GLY A 1 169 ? 20.938 17.730 18.840 1.00 94.22 169 A 1 ATOM 1337 C C . GLY A 1 169 ? 20.333 18.869 18.001 1.00 94.03 169 A 1 ATOM 1338 O O . GLY A 1 169 ? 20.249 20.006 18.464 1.00 91.22 169 A 1 ATOM 1339 N N . ARG A 1 170 ? 19.913 18.570 16.760 1.00 95.50 170 A 1 ATOM 1340 C CA . ARG A 1 170 ? 19.268 19.485 15.812 1.00 95.27 170 A 1 ATOM 1341 C C . ARG A 1 170 ? 18.129 18.783 15.080 1.00 95.70 170 A 1 ATOM 1342 O O . ARG A 1 170 ? 18.067 17.556 15.047 1.00 94.90 170 A 1 ATOM 1343 C CB . ARG A 1 170 ? 20.295 20.062 14.817 1.00 94.13 170 A 1 ATOM 1344 C CG . ARG A 1 170 ? 20.948 19.000 13.896 1.00 90.91 170 A 1 ATOM 1345 C CD . ARG A 1 170 ? 21.695 19.657 12.723 1.00 89.58 170 A 1 ATOM 1346 N NE . ARG A 1 170 ? 22.422 18.683 11.895 1.00 85.76 170 A 1 ATOM 1347 C CZ . ARG A 1 170 ? 21.954 17.900 10.920 1.00 84.49 170 A 1 ATOM 1348 N NH1 . ARG A 1 170 ? 20.719 17.882 10.533 1.00 76.40 170 A 1 ATOM 1349 N NH2 . ARG A 1 170 ? 22.762 17.091 10.307 1.00 79.42 170 A 1 ATOM 1350 N N . THR A 1 171 ? 17.282 19.567 14.428 1.00 95.33 171 A 1 ATOM 1351 C CA . THR A 1 171 ? 16.254 19.011 13.538 1.00 95.26 171 A 1 ATOM 1352 C C . THR A 1 171 ? 16.920 18.219 12.405 1.00 95.53 171 A 1 ATOM 1353 O O . THR A 1 171 ? 17.730 18.797 11.675 1.00 94.41 171 A 1 ATOM 1354 C CB . THR A 1 171 ? 15.379 20.124 12.949 1.00 93.79 171 A 1 ATOM 1355 O OG1 . THR A 1 171 ? 14.887 20.935 13.993 1.00 86.54 171 A 1 ATOM 1356 C CG2 . THR A 1 171 ? 14.169 19.573 12.205 1.00 84.68 171 A 1 ATOM 1357 N N . PRO A 1 172 ? 16.615 16.921 12.245 1.00 96.03 172 A 1 ATOM 1358 C CA . PRO A 1 172 ? 17.163 16.129 11.150 1.00 95.63 172 A 1 ATOM 1359 C C . PRO A 1 172 ? 16.631 16.616 9.800 1.00 96.03 172 A 1 ATOM 1360 O O . PRO A 1 172 ? 15.531 17.169 9.701 1.00 95.23 172 A 1 ATOM 1361 C CB . PRO A 1 172 ? 16.750 14.684 11.437 1.00 94.55 172 A 1 ATOM 1362 C CG . PRO A 1 172 ? 15.476 14.838 12.263 1.00 92.76 172 A 1 ATOM 1363 C CD . PRO A 1 172 ? 15.727 16.120 13.054 1.00 94.89 172 A 1 ATOM 1364 N N . GLU A 1 173 ? 17.389 16.368 8.739 1.00 95.12 173 A 1 ATOM 1365 C CA . GLU A 1 173 ? 16.927 16.601 7.373 1.00 95.30 173 A 1 ATOM 1366 C C . GLU A 1 173 ? 16.143 15.400 6.831 1.00 95.85 173 A 1 ATOM 1367 O O . GLU A 1 173 ? 16.337 14.249 7.228 1.00 94.99 173 A 1 ATOM 1368 C CB . GLU A 1 173 ? 18.105 16.938 6.453 1.00 94.32 173 A 1 ATOM 1369 C CG . GLU A 1 173 ? 18.735 18.294 6.804 1.00 87.31 173 A 1 ATOM 1370 C CD . GLU A 1 173 ? 19.874 18.674 5.842 1.00 81.87 173 A 1 ATOM 1371 O OE1 . GLU A 1 173 ? 20.567 19.662 6.166 1.00 74.03 173 A 1 ATOM 1372 O OE2 . GLU A 1 173 ? 20.031 17.982 4.801 1.00 73.88 173 A 1 ATOM 1373 N N . LEU A 1 174 ? 15.283 15.649 5.845 1.00 95.58 174 A 1 ATOM 1374 C CA . LEU A 1 174 ? 14.519 14.572 5.201 1.00 96.12 174 A 1 ATOM 1375 C C . LEU A 1 174 ? 15.432 13.495 4.592 1.00 96.50 174 A 1 ATOM 1376 O O . LEU A 1 174 ? 15.097 12.309 4.620 1.00 95.95 174 A 1 ATOM 1377 C CB . LEU A 1 174 ? 13.597 15.189 4.134 1.00 95.67 174 A 1 ATOM 1378 C CG . LEU A 1 174 ? 12.756 14.154 3.363 1.00 94.11 174 A 1 ATOM 1379 C CD1 . LEU A 1 174 ? 11.823 13.359 4.275 1.00 88.59 174 A 1 ATOM 1380 C CD2 . LEU A 1 174 ? 11.911 14.853 2.298 1.00 88.90 174 A 1 ATOM 1381 N N . LYS A 1 175 ? 16.590 13.898 4.061 1.00 96.74 175 A 1 ATOM 1382 C CA . LYS A 1 175 ? 17.584 12.981 3.490 1.00 96.42 175 A 1 ATOM 1383 C C . LYS A 1 175 ? 18.154 12.034 4.550 1.00 96.74 175 A 1 ATOM 1384 O O . LYS A 1 175 ? 18.243 10.835 4.298 1.00 96.00 175 A 1 ATOM 1385 C CB . LYS A 1 175 ? 18.680 13.807 2.801 1.00 95.49 175 A 1 ATOM 1386 C CG . LYS A 1 175 ? 19.648 12.937 1.986 1.00 86.60 175 A 1 ATOM 1387 C CD . LYS A 1 175 ? 20.673 13.816 1.257 1.00 82.22 175 A 1 ATOM 1388 C CE . LYS A 1 175 ? 21.637 12.963 0.427 1.00 73.51 175 A 1 ATOM 1389 N NZ . LYS A 1 175 ? 22.622 13.807 -0.303 1.00 65.23 175 A 1 ATOM 1390 N N . GLU A 1 176 ? 18.467 12.556 5.735 1.00 95.93 176 A 1 ATOM 1391 C CA . GLU A 1 176 ? 18.959 11.772 6.876 1.00 95.47 176 A 1 ATOM 1392 C C . GLU A 1 176 ? 17.885 10.795 7.367 1.00 95.63 176 A 1 ATOM 1393 O O . GLU A 1 176 ? 18.156 9.616 7.586 1.00 94.42 176 A 1 ATOM 1394 C CB . GLU A 1 176 ? 19.377 12.722 8.017 1.00 94.53 176 A 1 ATOM 1395 C CG . GLU A 1 176 ? 20.545 13.641 7.615 1.00 92.37 176 A 1 ATOM 1396 C CD . GLU A 1 176 ? 20.858 14.718 8.670 1.00 91.28 176 A 1 ATOM 1397 O OE1 . GLU A 1 176 ? 22.031 15.124 8.783 1.00 84.36 176 A 1 ATOM 1398 O OE2 . GLU A 1 176 ? 19.927 15.228 9.334 1.00 85.33 176 A 1 ATOM 1399 N N . MET A 1 177 ? 16.648 11.267 7.424 1.00 95.09 177 A 1 ATOM 1400 C CA . MET A 1 177 ? 15.501 10.437 7.796 1.00 94.91 177 A 1 ATOM 1401 C C . MET A 1 177 ? 15.263 9.279 6.812 1.00 95.76 177 A 1 ATOM 1402 O O . MET A 1 177 ? 15.049 8.142 7.225 1.00 94.69 177 A 1 ATOM 1403 C CB . MET A 1 177 ? 14.276 11.350 7.874 1.00 93.54 177 A 1 ATOM 1404 C CG . MET A 1 177 ? 13.099 10.673 8.557 1.00 87.27 177 A 1 ATOM 1405 S SD . MET A 1 177 ? 13.349 10.434 10.323 1.00 84.22 177 A 1 ATOM 1406 C CE . MET A 1 177 ? 11.624 10.200 10.802 1.00 78.69 177 A 1 ATOM 1407 N N . LYS A 1 178 ? 15.330 9.548 5.502 1.00 96.17 178 A 1 ATOM 1408 C CA . LYS A 1 178 ? 15.223 8.516 4.456 1.00 96.22 178 A 1 ATOM 1409 C C . LYS A 1 178 ? 16.394 7.526 4.510 1.00 96.47 178 A 1 ATOM 1410 O O . LYS A 1 178 ? 16.174 6.328 4.357 1.00 95.97 178 A 1 ATOM 1411 C CB . LYS A 1 178 ? 15.137 9.158 3.064 1.00 96.03 178 A 1 ATOM 1412 C CG . LYS A 1 178 ? 13.770 9.791 2.751 1.00 93.83 178 A 1 ATOM 1413 C CD . LYS A 1 178 ? 13.791 10.393 1.333 1.00 89.84 178 A 1 ATOM 1414 C CE . LYS A 1 178 ? 12.439 10.984 0.926 1.00 85.41 178 A 1 ATOM 1415 N NZ . LYS A 1 178 ? 12.452 11.466 -0.487 1.00 77.63 178 A 1 ATOM 1416 N N . ALA A 1 179 ? 17.609 8.012 4.768 1.00 96.79 179 A 1 ATOM 1417 C CA . ALA A 1 179 ? 18.791 7.161 4.909 1.00 96.35 179 A 1 ATOM 1418 C C . ALA A 1 179 ? 18.702 6.234 6.136 1.00 95.97 179 A 1 ATOM 1419 O O . ALA A 1 179 ? 19.099 5.072 6.058 1.00 94.14 179 A 1 ATOM 1420 C CB . ALA A 1 179 ? 20.034 8.055 4.968 1.00 95.92 179 A 1 ATOM 1421 N N . ALA A 1 180 ? 18.121 6.722 7.233 1.00 96.58 180 A 1 ATOM 1422 C CA . ALA A 1 180 ? 17.898 5.924 8.439 1.00 95.83 180 A 1 ATOM 1423 C C . ALA A 1 180 ? 16.795 4.860 8.277 1.00 95.76 180 A 1 ATOM 1424 O O . ALA A 1 180 ? 16.751 3.895 9.041 1.00 93.89 180 A 1 ATOM 1425 C CB . ALA A 1 180 ? 17.578 6.891 9.586 1.00 95.15 180 A 1 ATOM 1426 N N . MET A 1 181 ? 15.908 5.015 7.287 1.00 94.82 181 A 1 ATOM 1427 C CA . MET A 1 181 ? 14.770 4.118 7.060 1.00 94.24 181 A 1 ATOM 1428 C C . MET A 1 181 ? 14.675 3.616 5.604 1.00 94.81 181 A 1 ATOM 1429 O O . MET A 1 181 ? 13.638 3.802 4.952 1.00 92.65 181 A 1 ATOM 1430 C CB . MET A 1 181 ? 13.470 4.796 7.527 1.00 92.81 181 A 1 ATOM 1431 C CG . MET A 1 181 ? 13.496 5.199 8.998 1.00 89.51 181 A 1 ATOM 1432 S SD . MET A 1 181 ? 11.864 5.671 9.633 1.00 84.21 181 A 1 ATOM 1433 C CE . MET A 1 181 ? 11.217 4.026 10.040 1.00 76.04 181 A 1 ATOM 1434 N N . PRO A 1 182 ? 15.706 2.945 5.075 1.00 95.82 182 A 1 ATOM 1435 C CA . PRO A 1 182 ? 15.768 2.556 3.659 1.00 95.34 182 A 1 ATOM 1436 C C . PRO A 1 182 ? 14.716 1.507 3.262 1.00 95.26 182 A 1 ATOM 1437 O O . PRO A 1 182 ? 14.365 1.389 2.091 1.00 92.96 182 A 1 ATOM 1438 C CB . PRO A 1 182 ? 17.192 2.020 3.466 1.00 94.57 182 A 1 ATOM 1439 C CG . PRO A 1 182 ? 17.566 1.478 4.846 1.00 93.11 182 A 1 ATOM 1440 C CD . PRO A 1 182 ? 16.890 2.476 5.782 1.00 95.09 182 A 1 ATOM 1441 N N . SER A 1 183 ? 14.178 0.767 4.228 1.00 94.24 183 A 1 ATOM 1442 C CA . SER A 1 183 ? 13.124 -0.234 4.003 1.00 93.75 183 A 1 ATOM 1443 C C . SER A 1 183 ? 11.712 0.361 3.865 1.00 93.40 183 A 1 ATOM 1444 O O . SER A 1 183 ? 10.753 -0.360 3.567 1.00 90.83 183 A 1 ATOM 1445 C CB . SER A 1 183 ? 13.159 -1.261 5.139 1.00 93.04 183 A 1 ATOM 1446 O OG . SER A 1 183 ? 12.977 -0.625 6.392 1.00 83.37 183 A 1 ATOM 1447 N N . TYR A 1 184 ? 11.561 1.668 4.088 1.00 92.93 184 A 1 ATOM 1448 C CA . TYR A 1 184 ? 10.275 2.353 4.041 1.00 92.67 184 A 1 ATOM 1449 C C . TYR A 1 184 ? 10.096 3.100 2.725 1.00 92.90 184 A 1 ATOM 1450 O O . TYR A 1 184 ? 11.039 3.608 2.126 1.00 90.08 184 A 1 ATOM 1451 C CB . TYR A 1 184 ? 10.096 3.289 5.245 1.00 91.99 184 A 1 ATOM 1452 C CG . TYR A 1 184 ? 9.865 2.553 6.558 1.00 91.71 184 A 1 ATOM 1453 C CD1 . TYR A 1 184 ? 8.604 2.570 7.191 1.00 83.23 184 A 1 ATOM 1454 C CD2 . TYR A 1 184 ? 10.919 1.815 7.121 1.00 84.07 184 A 1 ATOM 1455 C CE1 . TYR A 1 184 ? 8.398 1.831 8.374 1.00 82.21 184 A 1 ATOM 1456 C CE2 . TYR A 1 184 ? 10.715 1.063 8.288 1.00 83.44 184 A 1 ATOM 1457 C CZ . TYR A 1 184 ? 9.458 1.063 8.909 1.00 87.33 184 A 1 ATOM 1458 O OH . TYR A 1 184 ? 9.285 0.289 10.006 1.00 85.56 184 A 1 ATOM 1459 N N . ASN A 1 185 ? 8.844 3.212 2.293 1.00 93.86 185 A 1 ATOM 1460 C CA . ASN A 1 185 ? 8.515 4.021 1.128 1.00 93.67 185 A 1 ATOM 1461 C C . ASN A 1 185 ? 8.884 5.497 1.390 1.00 94.46 185 A 1 ATOM 1462 O O . ASN A 1 185 ? 8.380 6.107 2.339 1.00 93.10 185 A 1 ATOM 1463 C CB . ASN A 1 185 ? 7.026 3.813 0.805 1.00 91.23 185 A 1 ATOM 1464 C CG . ASN A 1 185 ? 6.593 4.648 -0.378 1.00 86.42 185 A 1 ATOM 1465 O OD1 . ASN A 1 185 ? 6.539 5.856 -0.297 1.00 79.16 185 A 1 ATOM 1466 N ND2 . ASN A 1 185 ? 6.290 4.057 -1.507 1.00 77.07 185 A 1 ATOM 1467 N N . GLY A 1 186 ? 9.738 6.065 0.536 1.00 95.27 186 A 1 ATOM 1468 C CA . GLY A 1 186 ? 10.278 7.417 0.710 1.00 95.28 186 A 1 ATOM 1469 C C . GLY A 1 186 ? 9.215 8.517 0.777 1.00 96.01 186 A 1 ATOM 1470 O O . GLY A 1 186 ? 9.376 9.472 1.538 1.00 94.64 186 A 1 ATOM 1471 N N . THR A 1 187 ? 8.098 8.360 0.058 1.00 94.66 187 A 1 ATOM 1472 C CA . THR A 1 187 ? 6.950 9.281 0.121 1.00 94.50 187 A 1 ATOM 1473 C C . THR A 1 187 ? 6.253 9.206 1.477 1.00 94.58 187 A 1 ATOM 1474 O O . THR A 1 187 ? 5.935 10.233 2.077 1.00 92.30 187 A 1 ATOM 1475 C CB . THR A 1 187 ? 5.935 8.966 -0.989 1.00 93.22 187 A 1 ATOM 1476 O OG1 . THR A 1 187 ? 6.590 8.898 -2.232 1.00 85.15 187 A 1 ATOM 1477 C CG2 . THR A 1 187 ? 4.839 10.024 -1.110 1.00 81.55 187 A 1 ATOM 1478 N N . THR A 1 188 ? 6.061 8.002 2.008 1.00 94.37 188 A 1 ATOM 1479 C CA . THR A 1 188 ? 5.480 7.811 3.346 1.00 93.61 188 A 1 ATOM 1480 C C . THR A 1 188 ? 6.375 8.422 4.422 1.00 94.51 188 A 1 ATOM 1481 O O . THR A 1 188 ? 5.872 9.116 5.300 1.00 93.58 188 A 1 ATOM 1482 C CB . THR A 1 188 ? 5.246 6.322 3.649 1.00 91.67 188 A 1 ATOM 1483 O OG1 . THR A 1 188 ? 4.424 5.747 2.655 1.00 84.86 188 A 1 ATOM 1484 C CG2 . THR A 1 188 ? 4.542 6.090 4.989 1.00 82.74 188 A 1 ATOM 1485 N N . VAL A 1 189 ? 7.697 8.204 4.333 1.00 95.47 189 A 1 ATOM 1486 C CA . VAL A 1 189 ? 8.673 8.812 5.251 1.00 95.85 189 A 1 ATOM 1487 C C . VAL A 1 189 ? 8.597 10.337 5.181 1.00 96.11 189 A 1 ATOM 1488 O O . VAL A 1 189 ? 8.499 10.972 6.221 1.00 95.60 189 A 1 ATOM 1489 C CB . VAL A 1 189 ? 10.103 8.306 4.968 1.00 95.89 189 A 1 ATOM 1490 C CG1 . VAL A 1 189 ? 11.146 8.989 5.863 1.00 93.31 189 A 1 ATOM 1491 C CG2 . VAL A 1 189 ? 10.206 6.795 5.223 1.00 91.29 189 A 1 ATOM 1492 N N . ALA A 1 190 ? 8.548 10.924 3.987 1.00 96.75 190 A 1 ATOM 1493 C CA . ALA A 1 190 ? 8.451 12.372 3.811 1.00 96.65 190 A 1 ATOM 1494 C C . ALA A 1 190 ? 7.174 12.956 4.440 1.00 96.59 190 A 1 ATOM 1495 O O . ALA A 1 190 ? 7.251 13.894 5.232 1.00 95.73 190 A 1 ATOM 1496 C CB . ALA A 1 190 ? 8.542 12.696 2.315 1.00 96.33 190 A 1 ATOM 1497 N N . ILE A 1 191 ? 6.010 12.370 4.149 1.00 95.41 191 A 1 ATOM 1498 C CA . ILE A 1 191 ? 4.729 12.837 4.705 1.00 94.96 191 A 1 ATOM 1499 C C . ILE A 1 191 ? 4.757 12.800 6.241 1.00 95.39 191 A 1 ATOM 1500 O O . ILE A 1 191 ? 4.372 13.770 6.895 1.00 94.34 191 A 1 ATOM 1501 C CB . ILE A 1 191 ? 3.556 11.997 4.139 1.00 94.03 191 A 1 ATOM 1502 C CG1 . ILE A 1 191 ? 3.375 12.270 2.626 1.00 91.02 191 A 1 ATOM 1503 C CG2 . ILE A 1 191 ? 2.238 12.299 4.882 1.00 89.73 191 A 1 ATOM 1504 C CD1 . ILE A 1 191 ? 2.469 11.251 1.919 1.00 82.91 191 A 1 ATOM 1505 N N . GLN A 1 192 ? 5.227 11.693 6.813 1.00 95.63 192 A 1 ATOM 1506 C CA . GLN A 1 192 ? 5.270 11.546 8.268 1.00 95.35 192 A 1 ATOM 1507 C C . GLN A 1 192 ? 6.341 12.429 8.911 1.00 95.74 192 A 1 ATOM 1508 O O . GLN A 1 192 ? 6.115 12.934 10.005 1.00 95.17 192 A 1 ATOM 1509 C CB . GLN A 1 192 ? 5.474 10.075 8.645 1.00 94.69 192 A 1 ATOM 1510 C CG . GLN A 1 192 ? 4.307 9.179 8.205 1.00 91.57 192 A 1 ATOM 1511 C CD . GLN A 1 192 ? 2.946 9.648 8.714 1.00 90.63 192 A 1 ATOM 1512 O OE1 . GLN A 1 192 ? 2.751 9.995 9.865 1.00 84.63 192 A 1 ATOM 1513 N NE2 . GLN A 1 192 ? 1.939 9.669 7.868 1.00 82.38 192 A 1 ATOM 1514 N N . PHE A 1 193 ? 7.458 12.657 8.240 1.00 95.34 193 A 1 ATOM 1515 C CA . PHE A 1 193 ? 8.509 13.564 8.687 1.00 95.18 193 A 1 ATOM 1516 C C . PHE A 1 193 ? 7.997 15.006 8.828 1.00 95.85 193 A 1 ATOM 1517 O O . PHE A 1 193 ? 8.173 15.615 9.879 1.00 95.67 193 A 1 ATOM 1518 C CB . PHE A 1 193 ? 9.673 13.483 7.701 1.00 94.68 193 A 1 ATOM 1519 C CG . PHE A 1 193 ? 10.765 14.490 7.977 1.00 94.70 193 A 1 ATOM 1520 C CD1 . PHE A 1 193 ? 10.897 15.633 7.166 1.00 90.30 193 A 1 ATOM 1521 C CD2 . PHE A 1 193 ? 11.644 14.283 9.052 1.00 90.65 193 A 1 ATOM 1522 C CE1 . PHE A 1 193 ? 11.928 16.550 7.419 1.00 90.01 193 A 1 ATOM 1523 C CE2 . PHE A 1 193 ? 12.671 15.202 9.303 1.00 89.82 193 A 1 ATOM 1524 C CZ . PHE A 1 193 ? 12.819 16.333 8.482 1.00 92.02 193 A 1 ATOM 1525 N N . TYR A 1 194 ? 7.294 15.534 7.830 1.00 94.19 194 A 1 ATOM 1526 C CA . TYR A 1 194 ? 6.713 16.878 7.933 1.00 94.48 194 A 1 ATOM 1527 C C . TYR A 1 194 ? 5.599 16.962 8.985 1.00 95.06 194 A 1 ATOM 1528 O O . TYR A 1 194 ? 5.527 17.943 9.723 1.00 93.89 194 A 1 ATOM 1529 C CB . TYR A 1 194 ? 6.209 17.335 6.562 1.00 94.03 194 A 1 ATOM 1530 C CG . TYR A 1 194 ? 7.319 17.615 5.567 1.00 93.20 194 A 1 ATOM 1531 C CD1 . TYR A 1 194 ? 8.256 18.635 5.830 1.00 86.12 194 A 1 ATOM 1532 C CD2 . TYR A 1 194 ? 7.419 16.865 4.380 1.00 85.93 194 A 1 ATOM 1533 C CE1 . TYR A 1 194 ? 9.293 18.898 4.917 1.00 84.12 194 A 1 ATOM 1534 C CE2 . TYR A 1 194 ? 8.453 17.124 3.463 1.00 84.46 194 A 1 ATOM 1535 C CZ . TYR A 1 194 ? 9.394 18.139 3.731 1.00 87.08 194 A 1 ATOM 1536 O OH . TYR A 1 194 ? 10.398 18.388 2.852 1.00 85.13 194 A 1 ATOM 1537 N N . ALA A 1 195 ? 4.776 15.927 9.121 1.00 95.72 195 A 1 ATOM 1538 C CA . ALA A 1 195 ? 3.785 15.867 10.195 1.00 95.55 195 A 1 ATOM 1539 C C . ALA A 1 195 ? 4.452 15.867 11.586 1.00 95.95 195 A 1 ATOM 1540 O O . ALA A 1 195 ? 4.015 16.584 12.484 1.00 95.50 195 A 1 ATOM 1541 C CB . ALA A 1 195 ? 2.903 14.631 9.976 1.00 95.31 195 A 1 ATOM 1542 N N . TRP A 1 196 ? 5.534 15.111 11.749 1.00 95.88 196 A 1 ATOM 1543 C CA . TRP A 1 196 ? 6.327 15.068 12.979 1.00 96.12 196 A 1 ATOM 1544 C C . TRP A 1 196 ? 6.985 16.420 13.296 1.00 96.48 196 A 1 ATOM 1545 O O . TRP A 1 196 ? 6.909 16.882 14.434 1.00 96.04 196 A 1 ATOM 1546 C CB . TRP A 1 196 ? 7.363 13.945 12.846 1.00 96.11 196 A 1 ATOM 1547 C CG . TRP A 1 196 ? 8.410 13.926 13.910 1.00 96.14 196 A 1 ATOM 1548 C CD1 . TRP A 1 196 ? 8.291 13.374 15.136 1.00 94.36 196 A 1 ATOM 1549 C CD2 . TRP A 1 196 ? 9.741 14.524 13.864 1.00 95.62 196 A 1 ATOM 1550 N NE1 . TRP A 1 196 ? 9.447 13.585 15.851 1.00 94.65 196 A 1 ATOM 1551 C CE2 . TRP A 1 196 ? 10.374 14.297 15.119 1.00 95.32 196 A 1 ATOM 1552 C CE3 . TRP A 1 196 ? 10.466 15.246 12.890 1.00 94.82 196 A 1 ATOM 1553 C CZ2 . TRP A 1 196 ? 11.665 14.774 15.404 1.00 94.19 196 A 1 ATOM 1554 C CZ3 . TRP A 1 196 ? 11.764 15.725 13.167 1.00 93.23 196 A 1 ATOM 1555 C CH2 . TRP A 1 196 ? 12.360 15.494 14.420 1.00 92.85 196 A 1 ATOM 1556 N N . ARG A 1 197 ? 7.558 17.100 12.299 1.00 95.91 197 A 1 ATOM 1557 C CA . ARG A 1 197 ? 8.114 18.457 12.454 1.00 95.73 197 A 1 ATOM 1558 C C . ARG A 1 197 ? 7.056 19.452 12.929 1.00 96.01 197 A 1 ATOM 1559 O O . ARG A 1 197 ? 7.278 20.129 13.928 1.00 95.38 197 A 1 ATOM 1560 C CB . ARG A 1 197 ? 8.727 18.941 11.136 1.00 94.87 197 A 1 ATOM 1561 C CG . ARG A 1 197 ? 10.114 18.347 10.890 1.00 88.81 197 A 1 ATOM 1562 C CD . ARG A 1 197 ? 10.757 18.962 9.649 1.00 88.39 197 A 1 ATOM 1563 N NE . ARG A 1 197 ? 10.964 20.411 9.815 1.00 82.38 197 A 1 ATOM 1564 C CZ . ARG A 1 197 ? 11.640 21.217 9.022 1.00 80.15 197 A 1 ATOM 1565 N NH1 . ARG A 1 197 ? 12.220 20.797 7.936 1.00 72.52 197 A 1 ATOM 1566 N NH2 . ARG A 1 197 ? 11.727 22.478 9.321 1.00 72.14 197 A 1 ATOM 1567 N N . LYS A 1 198 ? 5.892 19.482 12.278 1.00 95.65 198 A 1 ATOM 1568 C CA . LYS A 1 198 ? 4.754 20.327 12.683 1.00 95.51 198 A 1 ATOM 1569 C C . LYS A 1 198 ? 4.323 20.055 14.120 1.00 95.87 198 A 1 ATOM 1570 O O . LYS A 1 198 ? 4.155 20.986 14.899 1.00 95.25 198 A 1 ATOM 1571 C CB . LYS A 1 198 ? 3.562 20.121 11.738 1.00 94.58 198 A 1 ATOM 1572 C CG . LYS A 1 198 ? 3.786 20.838 10.410 1.00 87.41 198 A 1 ATOM 1573 C CD . LYS A 1 198 ? 2.542 20.802 9.531 1.00 83.09 198 A 1 ATOM 1574 C CE . LYS A 1 198 ? 2.848 21.595 8.261 1.00 76.32 198 A 1 ATOM 1575 N NZ . LYS A 1 198 ? 1.644 21.791 7.423 1.00 69.06 198 A 1 ATOM 1576 N N . TYR A 1 199 ? 4.182 18.789 14.471 1.00 95.59 199 A 1 ATOM 1577 C CA . TYR A 1 199 ? 3.781 18.398 15.823 1.00 95.44 199 A 1 ATOM 1578 C C . TYR A 1 199 ? 4.752 18.925 16.886 1.00 95.25 199 A 1 ATOM 1579 O O . TYR A 1 199 ? 4.320 19.457 17.912 1.00 93.73 199 A 1 ATOM 1580 C CB . TYR A 1 199 ? 3.654 16.872 15.879 1.00 95.24 199 A 1 ATOM 1581 C CG . TYR A 1 199 ? 3.214 16.356 17.231 1.00 95.67 199 A 1 ATOM 1582 C CD1 . TYR A 1 199 ? 4.170 16.052 18.218 1.00 92.49 199 A 1 ATOM 1583 C CD2 . TYR A 1 199 ? 1.841 16.202 17.515 1.00 93.23 199 A 1 ATOM 1584 C CE1 . TYR A 1 199 ? 3.762 15.599 19.485 1.00 92.73 199 A 1 ATOM 1585 C CE2 . TYR A 1 199 ? 1.428 15.744 18.781 1.00 92.84 199 A 1 ATOM 1586 C CZ . TYR A 1 199 ? 2.390 15.445 19.768 1.00 93.60 199 A 1 ATOM 1587 O OH . TYR A 1 199 ? 2.001 15.004 20.996 1.00 91.89 199 A 1 ATOM 1588 N N . ASN A 1 200 ? 6.062 18.829 16.616 1.00 95.08 200 A 1 ATOM 1589 C CA . ASN A 1 200 ? 7.118 19.270 17.525 1.00 94.21 200 A 1 ATOM 1590 C C . ASN A 1 200 ? 7.436 20.775 17.429 1.00 94.21 200 A 1 ATOM 1591 O O . ASN A 1 200 ? 8.224 21.267 18.226 1.00 91.67 200 A 1 ATOM 1592 C CB . ASN A 1 200 ? 8.349 18.373 17.298 1.00 93.65 200 A 1 ATOM 1593 C CG . ASN A 1 200 ? 8.120 16.953 17.800 1.00 92.56 200 A 1 ATOM 1594 O OD1 . ASN A 1 200 ? 7.535 16.720 18.849 1.00 83.46 200 A 1 ATOM 1595 N ND2 . ASN A 1 200 ? 8.577 15.960 17.082 1.00 82.24 200 A 1 ATOM 1596 N N . GLY A 1 201 ? 6.814 21.507 16.502 1.00 94.78 201 A 1 ATOM 1597 C CA . GLY A 1 201 ? 7.080 22.936 16.297 1.00 94.17 201 A 1 ATOM 1598 C C . GLY A 1 201 ? 8.462 23.220 15.689 1.00 94.08 201 A 1 ATOM 1599 O O . GLY A 1 201 ? 9.046 24.259 15.973 1.00 91.34 201 A 1 ATOM 1600 N N . LEU A 1 202 ? 8.995 22.294 14.882 1.00 93.47 202 A 1 ATOM 1601 C CA . LEU A 1 202 ? 10.330 22.361 14.257 1.00 92.51 202 A 1 ATOM 1602 C C . LEU A 1 202 ? 10.287 22.939 12.829 1.00 91.60 202 A 1 ATOM 1603 O O . LEU A 1 202 ? 11.250 22.795 12.072 1.00 86.44 202 A 1 ATOM 1604 C CB . LEU A 1 202 ? 10.965 20.957 14.269 1.00 91.50 202 A 1 ATOM 1605 C CG . LEU A 1 202 ? 11.118 20.305 15.655 1.00 91.13 202 A 1 ATOM 1606 C CD1 . LEU A 1 202 ? 11.582 18.857 15.483 1.00 84.53 202 A 1 ATOM 1607 C CD2 . LEU A 1 202 ? 12.126 21.042 16.535 1.00 85.30 202 A 1 ATOM 1608 N N . ASP A 1 203 ? 9.165 23.534 12.437 1.00 89.18 203 A 1 ATOM 1609 C CA . ASP A 1 203 ? 8.966 24.127 11.103 1.00 86.09 203 A 1 ATOM 1610 C C . ASP A 1 203 ? 9.355 25.619 11.035 1.00 82.96 203 A 1 ATOM 1611 O O . ASP A 1 203 ? 9.177 26.234 9.986 1.00 72.49 203 A 1 ATOM 1612 C CB . ASP A 1 203 ? 7.515 23.899 10.636 1.00 81.78 203 A 1 ATOM 1613 C CG . ASP A 1 203 ? 7.226 22.473 10.142 1.00 77.34 203 A 1 ATOM 1614 O OD1 . ASP A 1 203 ? 8.156 21.762 9.683 1.00 69.51 203 A 1 ATOM 1615 O OD2 . ASP A 1 203 ? 6.028 22.100 10.143 1.00 69.75 203 A 1 ATOM 1616 N N . ALA A 1 204 ? 9.842 26.184 12.142 1.00 76.75 204 A 1 ATOM 1617 C CA . ALA A 1 204 ? 10.342 27.558 12.241 1.00 72.45 204 A 1 ATOM 1618 C C . ALA A 1 204 ? 11.799 27.667 11.787 1.00 65.49 204 A 1 ATOM 1619 O O . ALA A 1 204 ? 12.592 26.743 12.094 1.00 57.30 204 A 1 ATOM 1620 C CB . ALA A 1 204 ? 10.129 28.065 13.668 1.00 64.79 204 A 1 ATOM 1621 O OXT . ALA A 1 204 ? 12.105 28.710 11.164 1.00 56.39 204 A 1 #