# 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_adfa # _entry.id adfa # 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 HIS 2 1 n LYS 3 1 n ASN 4 1 n ALA 5 1 n PRO 6 1 n PHE 7 1 n LYS 8 1 n TYR 9 1 n GLY 10 1 n LYS 11 1 n PHE 12 1 n PRO 13 1 n ASN 14 1 n ALA 15 1 n GLN 16 1 n CYS 17 1 n TYR 18 1 n ASN 19 1 n ILE 20 1 n THR 21 1 n PRO 22 1 n ASN 23 1 n GLU 24 1 n ASN 25 1 n ASN 26 1 n ASN 27 1 n GLY 28 1 n TYR 29 1 n HIS 30 1 n ILE 31 1 n GLY 32 1 n VAL 33 1 n ILE 34 1 n PHE 35 1 n VAL 36 1 n ILE 37 1 n VAL 38 1 n LYS 39 1 n ASP 40 1 n ASN 41 1 n GLU 42 1 n ILE 43 1 n VAL 44 1 n ALA 45 1 n TRP 46 1 n ALA 47 1 n ASP 48 1 n PHE 49 1 n LYS 50 1 n GLY 51 1 n THR 52 1 n THR 53 1 n TYR 54 1 n ASP 55 1 n VAL 56 1 n ASN 57 1 n PRO 58 1 n VAL 59 1 n PRO 60 1 n PHE 61 1 n THR 62 1 n TYR 63 1 n TYR 64 1 n ASN 65 1 n ILE 66 1 n MET 67 1 n ASP 68 1 n LEU 69 1 n ALA 70 1 n TYR 71 1 n ASP 72 1 n TYR 73 1 n ASN 74 1 n TRP 75 1 n PHE 76 1 n ASN 77 1 n HIS 78 1 n ASP 79 1 n THR 80 1 n LEU 81 1 n ALA 82 1 n HIS 83 1 n ILE 84 1 n GLU 85 1 n GLY 86 1 n VAL 87 1 n GLY 88 1 n PHE 89 1 n ASP 90 1 n ILE 91 1 n SER 92 1 n TYR 93 1 n SER 94 1 n SER 95 1 n TYR 96 1 n SER 97 1 n LEU 98 1 n CYS 99 1 n PRO 100 1 n MET 101 1 n SER 102 1 n ARG 103 1 n ALA 104 1 n HIS 105 1 n GLY 106 1 n LYS 107 1 n ASP 108 1 n ALA 109 1 n SER 110 1 n TYR 111 1 n LEU 112 1 n SER 113 1 n ILE 114 1 n ARG 115 1 n LYS 116 1 n ARG 117 1 n VAL 118 1 n ASN 119 1 n PHE 120 1 n LYS 121 1 n ARG 122 1 n SER 123 1 n THR 124 1 n GLU 125 1 n TYR 126 1 n VAL 127 1 n GLY 128 1 n GLY 129 1 n LEU 130 1 n PHE 131 1 n VAL 132 1 n LYS 133 1 n ASP 134 1 n ASN 135 1 n LYS 136 1 n ILE 137 1 n THR 138 1 n ARG 139 1 n ILE 140 1 n SER 141 1 n TYR 142 1 n PRO 143 1 n LEU 144 1 n SER 145 1 n VAL 146 1 n SER 147 1 n GLN 148 1 n LYS 149 1 n ASP 150 1 n VAL 151 1 n ASP 152 1 n VAL 153 1 n ASP 154 1 n LEU 155 1 n ASP 156 1 n LEU 157 1 n THR 158 1 n GLU 159 1 n ASN 160 1 n ASN 161 1 n ILE 162 1 n ASN 163 1 n ARG 164 1 n ILE 165 1 n ALA 166 1 n SER 167 1 n VAL 168 1 n TYR 169 1 n PHE 170 1 n ASP 171 1 n ILE 172 1 n ASP 173 1 n GLU 174 1 n LYS 175 1 n ILE 176 1 n VAL 177 1 n VAL 178 1 n CYS 179 1 n GLY 180 1 n TYR 181 1 n GLU 182 1 n LEU 183 1 n PRO 184 1 n PRO 185 1 n GLU 186 1 n GLU 187 1 n LYS 188 1 n ALA 189 1 n GLU 190 1 n ALA 191 1 n ILE 192 1 n GLU 193 1 n VAL 194 1 n GLU 195 1 n LEU 196 1 n GLU 197 1 n ILE 198 1 n SER 199 1 n VAL 200 1 n ASP 201 1 n ASP 202 1 n GLN 203 1 n ILE 204 1 n PHE 205 1 n ASN 206 1 n ALA 207 1 n PHE 208 1 n MET 209 1 n ASN 210 1 n ARG 211 1 n GLY 212 # _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 01:01:17)" _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 65.68 _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 23.01 1 1 A HIS 2 2 27.63 1 2 A LYS 3 2 31.10 1 3 A ASN 4 2 38.26 1 4 A ALA 5 2 37.55 1 5 A PRO 6 2 38.82 1 6 A PHE 7 2 43.10 1 7 A LYS 8 2 40.33 1 8 A TYR 9 2 43.94 1 9 A GLY 10 2 63.04 1 10 A LYS 11 2 69.38 1 11 A PHE 12 2 77.81 1 12 A PRO 13 2 75.01 1 13 A ASN 14 2 74.17 1 14 A ALA 15 2 81.26 1 15 A GLN 16 2 74.59 1 16 A CYS 17 2 79.13 1 17 A TYR 18 2 77.10 1 18 A ASN 19 2 74.00 1 19 A ILE 20 2 77.63 1 20 A THR 21 2 71.41 1 21 A PRO 22 2 67.08 1 22 A ASN 23 2 55.12 1 23 A GLU 24 2 47.03 1 24 A ASN 25 2 41.55 1 25 A ASN 26 2 44.06 1 26 A ASN 27 2 46.43 1 27 A GLY 28 2 49.05 1 28 A TYR 29 2 43.62 1 29 A HIS 30 2 48.22 1 30 A ILE 31 2 58.03 1 31 A GLY 32 2 73.47 1 32 A VAL 33 2 75.11 1 33 A ILE 34 2 80.63 1 34 A PHE 35 2 77.94 1 35 A VAL 36 2 84.41 1 36 A ILE 37 2 85.47 1 37 A VAL 38 2 83.69 1 38 A LYS 39 2 82.30 1 39 A ASP 40 2 85.09 1 40 A ASN 41 2 78.84 1 41 A GLU 42 2 83.55 1 42 A ILE 43 2 86.14 1 43 A VAL 44 2 87.16 1 44 A ALA 45 2 89.08 1 45 A TRP 46 2 85.43 1 46 A ALA 47 2 85.14 1 47 A ASP 48 2 78.39 1 48 A PHE 49 2 68.45 1 49 A LYS 50 2 72.22 1 50 A GLY 51 2 76.22 1 51 A THR 52 2 79.55 1 52 A THR 53 2 81.34 1 53 A TYR 54 2 82.15 1 54 A ASP 55 2 82.37 1 55 A VAL 56 2 83.51 1 56 A ASN 57 2 78.98 1 57 A PRO 58 2 85.04 1 58 A VAL 59 2 82.36 1 59 A PRO 60 2 82.05 1 60 A PHE 61 2 75.01 1 61 A THR 62 2 72.52 1 62 A TYR 63 2 59.30 1 63 A TYR 64 2 58.16 1 64 A ASN 65 2 75.75 1 65 A ILE 66 2 75.85 1 66 A MET 67 2 65.30 1 67 A ASP 68 2 65.40 1 68 A LEU 69 2 76.47 1 69 A ALA 70 2 73.93 1 70 A TYR 71 2 55.08 1 71 A ASP 72 2 65.32 1 72 A TYR 73 2 73.26 1 73 A ASN 74 2 63.02 1 74 A TRP 75 2 77.11 1 75 A PHE 76 2 57.81 1 76 A ASN 77 2 50.04 1 77 A HIS 78 2 41.57 1 78 A ASP 79 2 46.02 1 79 A THR 80 2 54.24 1 80 A LEU 81 2 53.18 1 81 A ALA 82 2 64.28 1 82 A HIS 83 2 56.70 1 83 A ILE 84 2 62.85 1 84 A GLU 85 2 56.98 1 85 A GLY 86 2 55.02 1 86 A VAL 87 2 52.63 1 87 A GLY 88 2 47.23 1 88 A PHE 89 2 45.62 1 89 A ASP 90 2 50.94 1 90 A ILE 91 2 55.84 1 91 A SER 92 2 55.35 1 92 A TYR 93 2 48.75 1 93 A SER 94 2 60.95 1 94 A SER 95 2 68.17 1 95 A TYR 96 2 74.14 1 96 A SER 97 2 73.28 1 97 A LEU 98 2 78.50 1 98 A CYS 99 2 71.43 1 99 A PRO 100 2 69.51 1 100 A MET 101 2 54.06 1 101 A SER 102 2 42.13 1 102 A ARG 103 2 32.39 1 103 A ALA 104 2 40.28 1 104 A HIS 105 2 34.91 1 105 A GLY 106 2 44.40 1 106 A LYS 107 2 42.22 1 107 A ASP 108 2 49.54 1 108 A ALA 109 2 58.48 1 109 A SER 110 2 71.67 1 110 A TYR 111 2 72.20 1 111 A LEU 112 2 80.27 1 112 A SER 113 2 77.06 1 113 A ILE 114 2 80.50 1 114 A ARG 115 2 66.49 1 115 A LYS 116 2 72.99 1 116 A ARG 117 2 57.46 1 117 A VAL 118 2 57.52 1 118 A ASN 119 2 50.71 1 119 A PHE 120 2 43.83 1 120 A LYS 121 2 46.05 1 121 A ARG 122 2 43.95 1 122 A SER 123 2 54.31 1 123 A THR 124 2 60.48 1 124 A GLU 125 2 65.65 1 125 A TYR 126 2 69.48 1 126 A VAL 127 2 75.37 1 127 A GLY 128 2 82.85 1 128 A GLY 129 2 86.02 1 129 A LEU 130 2 87.21 1 130 A PHE 131 2 79.97 1 131 A VAL 132 2 84.60 1 132 A LYS 133 2 79.60 1 133 A ASP 134 2 84.00 1 134 A ASN 135 2 81.53 1 135 A LYS 136 2 84.17 1 136 A ILE 137 2 88.60 1 137 A THR 138 2 86.63 1 138 A ARG 139 2 75.52 1 139 A ILE 140 2 84.92 1 140 A SER 141 2 79.91 1 141 A TYR 142 2 65.87 1 142 A PRO 143 2 66.62 1 143 A LEU 144 2 53.21 1 144 A SER 145 2 51.52 1 145 A VAL 146 2 51.21 1 146 A SER 147 2 61.56 1 147 A GLN 148 2 59.52 1 148 A LYS 149 2 64.21 1 149 A ASP 150 2 74.49 1 150 A VAL 151 2 80.42 1 151 A ASP 152 2 80.37 1 152 A VAL 153 2 86.12 1 153 A ASP 154 2 83.19 1 154 A LEU 155 2 86.34 1 155 A ASP 156 2 85.26 1 156 A LEU 157 2 86.95 1 157 A THR 158 2 88.76 1 158 A GLU 159 2 79.98 1 159 A ASN 160 2 81.34 1 160 A ASN 161 2 87.59 1 161 A ILE 162 2 89.03 1 162 A ASN 163 2 85.69 1 163 A ARG 164 2 73.49 1 164 A ILE 165 2 87.09 1 165 A ALA 166 2 87.71 1 166 A SER 167 2 84.03 1 167 A VAL 168 2 82.90 1 168 A TYR 169 2 79.00 1 169 A PHE 170 2 82.62 1 170 A ASP 171 2 79.36 1 171 A ILE 172 2 84.27 1 172 A ASP 173 2 80.15 1 173 A GLU 174 2 76.76 1 174 A LYS 175 2 75.62 1 175 A ILE 176 2 82.44 1 176 A VAL 177 2 76.74 1 177 A VAL 178 2 77.45 1 178 A CYS 179 2 69.33 1 179 A GLY 180 2 65.71 1 180 A TYR 181 2 68.12 1 181 A GLU 182 2 64.12 1 182 A LEU 183 2 78.38 1 183 A PRO 184 2 79.89 1 184 A PRO 185 2 74.94 1 185 A GLU 186 2 65.65 1 186 A GLU 187 2 59.93 1 187 A LYS 188 2 49.55 1 188 A ALA 189 2 48.64 1 189 A GLU 190 2 43.56 1 190 A ALA 191 2 45.63 1 191 A ILE 192 2 43.70 1 192 A GLU 193 2 36.33 1 193 A VAL 194 2 44.41 1 194 A GLU 195 2 37.48 1 195 A LEU 196 2 40.38 1 196 A GLU 197 2 43.66 1 197 A ILE 198 2 49.80 1 198 A SER 199 2 53.39 1 199 A VAL 200 2 54.85 1 200 A ASP 201 2 53.29 1 201 A ASP 202 2 57.64 1 202 A GLN 203 2 59.70 1 203 A ILE 204 2 56.51 1 204 A PHE 205 2 56.70 1 205 A ASN 206 2 57.32 1 206 A ALA 207 2 62.88 1 207 A PHE 208 2 53.91 1 208 A MET 209 2 55.45 1 209 A ASN 210 2 56.37 1 210 A ARG 211 2 45.66 1 211 A GLY 212 2 43.33 1 212 # _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 HIS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n TYR . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n LYS . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n ASN . 23 A 23 A 24 1 n GLU . 24 A 24 A 25 1 n ASN . 25 A 25 A 26 1 n ASN . 26 A 26 A 27 1 n ASN . 27 A 27 A 28 1 n GLY . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n HIS . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n GLY . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n ILE . 34 A 34 A 35 1 n PHE . 35 A 35 A 36 1 n VAL . 36 A 36 A 37 1 n ILE . 37 A 37 A 38 1 n VAL . 38 A 38 A 39 1 n LYS . 39 A 39 A 40 1 n ASP . 40 A 40 A 41 1 n ASN . 41 A 41 A 42 1 n GLU . 42 A 42 A 43 1 n ILE . 43 A 43 A 44 1 n VAL . 44 A 44 A 45 1 n ALA . 45 A 45 A 46 1 n TRP . 46 A 46 A 47 1 n ALA . 47 A 47 A 48 1 n ASP . 48 A 48 A 49 1 n PHE . 49 A 49 A 50 1 n LYS . 50 A 50 A 51 1 n GLY . 51 A 51 A 52 1 n THR . 52 A 52 A 53 1 n THR . 53 A 53 A 54 1 n TYR . 54 A 54 A 55 1 n ASP . 55 A 55 A 56 1 n VAL . 56 A 56 A 57 1 n ASN . 57 A 57 A 58 1 n PRO . 58 A 58 A 59 1 n VAL . 59 A 59 A 60 1 n PRO . 60 A 60 A 61 1 n PHE . 61 A 61 A 62 1 n THR . 62 A 62 A 63 1 n TYR . 63 A 63 A 64 1 n TYR . 64 A 64 A 65 1 n ASN . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n MET . 67 A 67 A 68 1 n ASP . 68 A 68 A 69 1 n LEU . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n TYR . 71 A 71 A 72 1 n ASP . 72 A 72 A 73 1 n TYR . 73 A 73 A 74 1 n ASN . 74 A 74 A 75 1 n TRP . 75 A 75 A 76 1 n PHE . 76 A 76 A 77 1 n ASN . 77 A 77 A 78 1 n HIS . 78 A 78 A 79 1 n ASP . 79 A 79 A 80 1 n THR . 80 A 80 A 81 1 n LEU . 81 A 81 A 82 1 n ALA . 82 A 82 A 83 1 n HIS . 83 A 83 A 84 1 n ILE . 84 A 84 A 85 1 n GLU . 85 A 85 A 86 1 n GLY . 86 A 86 A 87 1 n VAL . 87 A 87 A 88 1 n GLY . 88 A 88 A 89 1 n PHE . 89 A 89 A 90 1 n ASP . 90 A 90 A 91 1 n ILE . 91 A 91 A 92 1 n SER . 92 A 92 A 93 1 n TYR . 93 A 93 A 94 1 n SER . 94 A 94 A 95 1 n SER . 95 A 95 A 96 1 n TYR . 96 A 96 A 97 1 n SER . 97 A 97 A 98 1 n LEU . 98 A 98 A 99 1 n CYS . 99 A 99 A 100 1 n PRO . 100 A 100 A 101 1 n MET . 101 A 101 A 102 1 n SER . 102 A 102 A 103 1 n ARG . 103 A 103 A 104 1 n ALA . 104 A 104 A 105 1 n HIS . 105 A 105 A 106 1 n GLY . 106 A 106 A 107 1 n LYS . 107 A 107 A 108 1 n ASP . 108 A 108 A 109 1 n ALA . 109 A 109 A 110 1 n SER . 110 A 110 A 111 1 n TYR . 111 A 111 A 112 1 n LEU . 112 A 112 A 113 1 n SER . 113 A 113 A 114 1 n ILE . 114 A 114 A 115 1 n ARG . 115 A 115 A 116 1 n LYS . 116 A 116 A 117 1 n ARG . 117 A 117 A 118 1 n VAL . 118 A 118 A 119 1 n ASN . 119 A 119 A 120 1 n PHE . 120 A 120 A 121 1 n LYS . 121 A 121 A 122 1 n ARG . 122 A 122 A 123 1 n SER . 123 A 123 A 124 1 n THR . 124 A 124 A 125 1 n GLU . 125 A 125 A 126 1 n TYR . 126 A 126 A 127 1 n VAL . 127 A 127 A 128 1 n GLY . 128 A 128 A 129 1 n GLY . 129 A 129 A 130 1 n LEU . 130 A 130 A 131 1 n PHE . 131 A 131 A 132 1 n VAL . 132 A 132 A 133 1 n LYS . 133 A 133 A 134 1 n ASP . 134 A 134 A 135 1 n ASN . 135 A 135 A 136 1 n LYS . 136 A 136 A 137 1 n ILE . 137 A 137 A 138 1 n THR . 138 A 138 A 139 1 n ARG . 139 A 139 A 140 1 n ILE . 140 A 140 A 141 1 n SER . 141 A 141 A 142 1 n TYR . 142 A 142 A 143 1 n PRO . 143 A 143 A 144 1 n LEU . 144 A 144 A 145 1 n SER . 145 A 145 A 146 1 n VAL . 146 A 146 A 147 1 n SER . 147 A 147 A 148 1 n GLN . 148 A 148 A 149 1 n LYS . 149 A 149 A 150 1 n ASP . 150 A 150 A 151 1 n VAL . 151 A 151 A 152 1 n ASP . 152 A 152 A 153 1 n VAL . 153 A 153 A 154 1 n ASP . 154 A 154 A 155 1 n LEU . 155 A 155 A 156 1 n ASP . 156 A 156 A 157 1 n LEU . 157 A 157 A 158 1 n THR . 158 A 158 A 159 1 n GLU . 159 A 159 A 160 1 n ASN . 160 A 160 A 161 1 n ASN . 161 A 161 A 162 1 n ILE . 162 A 162 A 163 1 n ASN . 163 A 163 A 164 1 n ARG . 164 A 164 A 165 1 n ILE . 165 A 165 A 166 1 n ALA . 166 A 166 A 167 1 n SER . 167 A 167 A 168 1 n VAL . 168 A 168 A 169 1 n TYR . 169 A 169 A 170 1 n PHE . 170 A 170 A 171 1 n ASP . 171 A 171 A 172 1 n ILE . 172 A 172 A 173 1 n ASP . 173 A 173 A 174 1 n GLU . 174 A 174 A 175 1 n LYS . 175 A 175 A 176 1 n ILE . 176 A 176 A 177 1 n VAL . 177 A 177 A 178 1 n VAL . 178 A 178 A 179 1 n CYS . 179 A 179 A 180 1 n GLY . 180 A 180 A 181 1 n TYR . 181 A 181 A 182 1 n GLU . 182 A 182 A 183 1 n LEU . 183 A 183 A 184 1 n PRO . 184 A 184 A 185 1 n PRO . 185 A 185 A 186 1 n GLU . 186 A 186 A 187 1 n GLU . 187 A 187 A 188 1 n LYS . 188 A 188 A 189 1 n ALA . 189 A 189 A 190 1 n GLU . 190 A 190 A 191 1 n ALA . 191 A 191 A 192 1 n ILE . 192 A 192 A 193 1 n GLU . 193 A 193 A 194 1 n VAL . 194 A 194 A 195 1 n GLU . 195 A 195 A 196 1 n LEU . 196 A 196 A 197 1 n GLU . 197 A 197 A 198 1 n ILE . 198 A 198 A 199 1 n SER . 199 A 199 A 200 1 n VAL . 200 A 200 A 201 1 n ASP . 201 A 201 A 202 1 n ASP . 202 A 202 A 203 1 n GLN . 203 A 203 A 204 1 n ILE . 204 A 204 A 205 1 n PHE . 205 A 205 A 206 1 n ASN . 206 A 206 A 207 1 n ALA . 207 A 207 A 208 1 n PHE . 208 A 208 A 209 1 n MET . 209 A 209 A 210 1 n ASN . 210 A 210 A 211 1 n ARG . 211 A 211 A 212 1 n GLY . 212 A 212 # _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 ? -16.146 14.857 -7.116 1.00 22.89 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.742 14.365 -8.454 1.00 25.99 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.071 15.505 -9.217 1.00 28.29 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.763 16.256 -9.893 1.00 27.36 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.945 13.838 -9.263 1.00 24.20 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.351 12.410 -8.904 1.00 20.68 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.774 11.843 -9.890 1.00 18.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.858 10.103 -9.373 1.00 16.02 1 A 1 ATOM 9 N N . HIS A 1 2 ? -13.765 15.677 -9.079 1.00 30.90 2 A 1 ATOM 10 C CA . HIS A 1 2 ? -13.023 16.586 -9.948 1.00 31.67 2 A 1 ATOM 11 C C . HIS A 1 2 ? -12.597 15.809 -11.196 1.00 32.22 2 A 1 ATOM 12 O O . HIS A 1 2 ? -11.688 14.994 -11.157 1.00 30.67 2 A 1 ATOM 13 C CB . HIS A 1 2 ? -11.847 17.229 -9.194 1.00 29.59 2 A 1 ATOM 14 C CG . HIS A 1 2 ? -12.310 18.357 -8.296 1.00 26.98 2 A 1 ATOM 15 N ND1 . HIS A 1 2 ? -12.819 19.565 -8.714 1.00 24.67 2 A 1 ATOM 16 C CD2 . HIS A 1 2 ? -12.348 18.355 -6.929 1.00 23.83 2 A 1 ATOM 17 C CE1 . HIS A 1 2 ? -13.156 20.275 -7.628 1.00 22.54 2 A 1 ATOM 18 N NE2 . HIS A 1 2 ? -12.897 19.573 -6.515 1.00 23.25 2 A 1 ATOM 19 N N . LYS A 1 3 ? -13.308 16.026 -12.307 1.00 34.23 3 A 1 ATOM 20 C CA . LYS A 1 3 ? -12.806 15.643 -13.628 1.00 35.13 3 A 1 ATOM 21 C C . LYS A 1 3 ? -11.673 16.615 -13.954 1.00 35.81 3 A 1 ATOM 22 O O . LYS A 1 3 ? -11.946 17.719 -14.421 1.00 34.32 3 A 1 ATOM 23 C CB . LYS A 1 3 ? -13.921 15.716 -14.688 1.00 32.94 3 A 1 ATOM 24 C CG . LYS A 1 3 ? -14.889 14.526 -14.656 1.00 30.09 3 A 1 ATOM 25 C CD . LYS A 1 3 ? -15.929 14.652 -15.786 1.00 27.98 3 A 1 ATOM 26 C CE . LYS A 1 3 ? -16.842 13.424 -15.829 1.00 25.76 3 A 1 ATOM 27 N NZ . LYS A 1 3 ? -17.839 13.509 -16.927 1.00 23.67 3 A 1 ATOM 28 N N . ASN A 1 4 ? -10.435 16.227 -13.665 1.00 40.11 4 A 1 ATOM 29 C CA . ASN A 1 4 ? -9.294 16.960 -14.197 1.00 41.52 4 A 1 ATOM 30 C C . ASN A 1 4 ? -9.386 16.926 -15.726 1.00 41.23 4 A 1 ATOM 31 O O . ASN A 1 4 ? -9.700 15.885 -16.319 1.00 39.73 4 A 1 ATOM 32 C CB . ASN A 1 4 ? -7.976 16.410 -13.615 1.00 39.73 4 A 1 ATOM 33 C CG . ASN A 1 4 ? -7.746 16.877 -12.182 1.00 36.51 4 A 1 ATOM 34 O OD1 . ASN A 1 4 ? -8.331 17.851 -11.739 1.00 34.00 4 A 1 ATOM 35 N ND2 . ASN A 1 4 ? -6.903 16.217 -11.426 1.00 33.25 4 A 1 ATOM 36 N N . ALA A 1 5 ? -9.231 18.082 -16.348 1.00 37.56 5 A 1 ATOM 37 C CA . ALA A 1 5 ? -9.361 18.237 -17.790 1.00 38.31 5 A 1 ATOM 38 C C . ALA A 1 5 ? -8.416 17.252 -18.508 1.00 39.14 5 A 1 ATOM 39 O O . ALA A 1 5 ? -7.259 17.128 -18.107 1.00 37.81 5 A 1 ATOM 40 C CB . ALA A 1 5 ? -9.051 19.694 -18.161 1.00 34.93 5 A 1 ATOM 41 N N . PRO A 1 6 ? -8.873 16.544 -19.557 1.00 39.70 6 A 1 ATOM 42 C CA . PRO A 1 6 ? -7.999 15.652 -20.298 1.00 40.31 6 A 1 ATOM 43 C C . PRO A 1 6 ? -6.864 16.484 -20.896 1.00 41.20 6 A 1 ATOM 44 O O . PRO A 1 6 ? -7.103 17.368 -21.722 1.00 39.92 6 A 1 ATOM 45 C CB . PRO A 1 6 ? -8.882 14.975 -21.351 1.00 37.42 6 A 1 ATOM 46 C CG . PRO A 1 6 ? -10.036 15.960 -21.550 1.00 36.28 6 A 1 ATOM 47 C CD . PRO A 1 6 ? -10.184 16.623 -20.186 1.00 36.89 6 A 1 ATOM 48 N N . PHE A 1 7 ? -5.634 16.199 -20.468 1.00 47.21 7 A 1 ATOM 49 C CA . PHE A 1 7 ? -4.479 16.637 -21.243 1.00 47.79 7 A 1 ATOM 50 C C . PHE A 1 7 ? -4.688 16.127 -22.670 1.00 47.25 7 A 1 ATOM 51 O O . PHE A 1 7 ? -4.881 14.931 -22.895 1.00 45.50 7 A 1 ATOM 52 C CB . PHE A 1 7 ? -3.175 16.107 -20.623 1.00 45.54 7 A 1 ATOM 53 C CG . PHE A 1 7 ? -2.608 16.972 -19.512 1.00 43.34 7 A 1 ATOM 54 C CD1 . PHE A 1 7 ? -1.677 17.984 -19.823 1.00 41.22 7 A 1 ATOM 55 C CD2 . PHE A 1 7 ? -2.989 16.765 -18.175 1.00 40.99 7 A 1 ATOM 56 C CE1 . PHE A 1 7 ? -1.123 18.777 -18.803 1.00 38.16 7 A 1 ATOM 57 C CE2 . PHE A 1 7 ? -2.438 17.563 -17.154 1.00 38.73 7 A 1 ATOM 58 C CZ . PHE A 1 7 ? -1.499 18.567 -17.465 1.00 38.32 7 A 1 ATOM 59 N N . LYS A 1 8 ? -4.730 17.035 -23.646 1.00 46.17 8 A 1 ATOM 60 C CA . LYS A 1 8 ? -4.829 16.681 -25.065 1.00 46.92 8 A 1 ATOM 61 C C . LYS A 1 8 ? -3.504 16.058 -25.509 1.00 47.86 8 A 1 ATOM 62 O O . LYS A 1 8 ? -2.706 16.689 -26.196 1.00 44.94 8 A 1 ATOM 63 C CB . LYS A 1 8 ? -5.193 17.907 -25.926 1.00 42.57 8 A 1 ATOM 64 C CG . LYS A 1 8 ? -6.692 18.227 -25.958 1.00 38.26 8 A 1 ATOM 65 C CD . LYS A 1 8 ? -6.932 19.396 -26.929 1.00 35.23 8 A 1 ATOM 66 C CE . LYS A 1 8 ? -8.423 19.703 -27.073 1.00 32.15 8 A 1 ATOM 67 N NZ . LYS A 1 8 ? -8.656 20.847 -27.990 1.00 28.88 8 A 1 ATOM 68 N N . TYR A 1 9 ? -3.288 14.804 -25.138 1.00 51.27 9 A 1 ATOM 69 C CA . TYR A 1 9 ? -2.279 13.985 -25.790 1.00 52.02 9 A 1 ATOM 70 C C . TYR A 1 9 ? -2.798 13.682 -27.194 1.00 53.81 9 A 1 ATOM 71 O O . TYR A 1 9 ? -3.658 12.823 -27.374 1.00 50.78 9 A 1 ATOM 72 C CB . TYR A 1 9 ? -2.007 12.717 -24.965 1.00 47.97 9 A 1 ATOM 73 C CG . TYR A 1 9 ? -1.447 13.003 -23.586 1.00 44.41 9 A 1 ATOM 74 C CD1 . TYR A 1 9 ? -0.100 13.387 -23.439 1.00 41.12 9 A 1 ATOM 75 C CD2 . TYR A 1 9 ? -2.276 12.906 -22.451 1.00 40.47 9 A 1 ATOM 76 C CE1 . TYR A 1 9 ? 0.417 13.674 -22.161 1.00 36.71 9 A 1 ATOM 77 C CE2 . TYR A 1 9 ? -1.762 13.195 -21.171 1.00 37.17 9 A 1 ATOM 78 C CZ . TYR A 1 9 ? -0.413 13.577 -21.026 1.00 36.66 9 A 1 ATOM 79 O OH . TYR A 1 9 ? 0.083 13.853 -19.793 1.00 34.92 9 A 1 ATOM 80 N N . GLY A 1 10 ? -2.308 14.385 -28.198 1.00 59.95 10 A 1 ATOM 81 C CA . GLY A 1 10 ? -2.756 14.213 -29.589 1.00 62.23 10 A 1 ATOM 82 C C . GLY A 1 10 ? -2.675 12.769 -30.102 1.00 66.65 10 A 1 ATOM 83 O O . GLY A 1 10 ? -3.374 12.412 -31.045 1.00 63.33 10 A 1 ATOM 84 N N . LYS A 1 11 ? -1.881 11.913 -29.431 1.00 71.08 11 A 1 ATOM 85 C CA . LYS A 1 11 ? -1.717 10.480 -29.704 1.00 73.98 11 A 1 ATOM 86 C C . LYS A 1 11 ? -2.778 9.583 -29.032 1.00 75.68 11 A 1 ATOM 87 O O . LYS A 1 11 ? -3.062 8.503 -29.538 1.00 73.89 11 A 1 ATOM 88 C CB . LYS A 1 11 ? -0.286 10.112 -29.280 1.00 72.21 11 A 1 ATOM 89 C CG . LYS A 1 11 ? 0.163 8.760 -29.824 1.00 68.68 11 A 1 ATOM 90 C CD . LYS A 1 11 ? 1.639 8.530 -29.485 1.00 67.61 11 A 1 ATOM 91 C CE . LYS A 1 11 ? 2.106 7.188 -30.032 1.00 63.38 11 A 1 ATOM 92 N NZ . LYS A 1 11 ? 3.535 6.994 -29.729 1.00 57.94 11 A 1 ATOM 93 N N . PHE A 1 12 ? -3.391 10.029 -27.917 1.00 76.67 12 A 1 ATOM 94 C CA . PHE A 1 12 ? -4.347 9.245 -27.117 1.00 77.66 12 A 1 ATOM 95 C C . PHE A 1 12 ? -5.605 10.067 -26.762 1.00 77.54 12 A 1 ATOM 96 O O . PHE A 1 12 ? -5.839 10.378 -25.600 1.00 75.87 12 A 1 ATOM 97 C CB . PHE A 1 12 ? -3.632 8.703 -25.869 1.00 78.76 12 A 1 ATOM 98 C CG . PHE A 1 12 ? -2.401 7.860 -26.148 1.00 80.53 12 A 1 ATOM 99 C CD1 . PHE A 1 12 ? -2.528 6.584 -26.729 1.00 77.84 12 A 1 ATOM 100 C CD2 . PHE A 1 12 ? -1.125 8.351 -25.817 1.00 78.50 12 A 1 ATOM 101 C CE1 . PHE A 1 12 ? -1.386 5.802 -26.971 1.00 76.68 12 A 1 ATOM 102 C CE2 . PHE A 1 12 ? 0.016 7.568 -26.059 1.00 76.85 12 A 1 ATOM 103 C CZ . PHE A 1 12 ? -0.113 6.293 -26.633 1.00 79.03 12 A 1 ATOM 104 N N . PRO A 1 13 ? -6.438 10.438 -27.739 1.00 77.43 13 A 1 ATOM 105 C CA . PRO A 1 13 ? -7.490 11.449 -27.563 1.00 76.37 13 A 1 ATOM 106 C C . PRO A 1 13 ? -8.607 11.069 -26.575 1.00 76.76 13 A 1 ATOM 107 O O . PRO A 1 13 ? -9.313 11.950 -26.104 1.00 72.44 13 A 1 ATOM 108 C CB . PRO A 1 13 ? -8.039 11.693 -28.975 1.00 73.78 13 A 1 ATOM 109 C CG . PRO A 1 13 ? -7.713 10.406 -29.729 1.00 72.76 13 A 1 ATOM 110 C CD . PRO A 1 13 ? -6.384 9.989 -29.123 1.00 75.52 13 A 1 ATOM 111 N N . ASN A 1 14 ? -8.766 9.783 -26.255 1.00 78.83 14 A 1 ATOM 112 C CA . ASN A 1 14 ? -9.788 9.258 -25.338 1.00 79.20 14 A 1 ATOM 113 C C . ASN A 1 14 ? -9.185 8.560 -24.104 1.00 81.37 14 A 1 ATOM 114 O O . ASN A 1 14 ? -9.884 7.802 -23.437 1.00 79.15 14 A 1 ATOM 115 C CB . ASN A 1 14 ? -10.721 8.311 -26.116 1.00 76.01 14 A 1 ATOM 116 C CG . ASN A 1 14 ? -11.477 8.979 -27.249 1.00 70.48 14 A 1 ATOM 117 O OD1 . ASN A 1 14 ? -11.733 10.169 -27.280 1.00 65.02 14 A 1 ATOM 118 N ND2 . ASN A 1 14 ? -11.868 8.221 -28.246 1.00 63.29 14 A 1 ATOM 119 N N . ALA A 1 15 ? -7.897 8.748 -23.833 1.00 80.70 15 A 1 ATOM 120 C CA . ALA A 1 15 ? -7.249 8.140 -22.681 1.00 81.74 15 A 1 ATOM 121 C C . ALA A 1 15 ? -7.595 8.893 -21.384 1.00 81.93 15 A 1 ATOM 122 O O . ALA A 1 15 ? -7.793 10.110 -21.380 1.00 80.48 15 A 1 ATOM 123 C CB . ALA A 1 15 ? -5.745 8.057 -22.930 1.00 81.43 15 A 1 ATOM 124 N N . GLN A 1 16 ? -7.649 8.155 -20.284 1.00 82.54 16 A 1 ATOM 125 C CA . GLN A 1 16 ? -7.696 8.689 -18.928 1.00 82.30 16 A 1 ATOM 126 C C . GLN A 1 16 ? -6.271 8.927 -18.434 1.00 83.83 16 A 1 ATOM 127 O O . GLN A 1 16 ? -5.355 8.201 -18.806 1.00 83.11 16 A 1 ATOM 128 C CB . GLN A 1 16 ? -8.462 7.726 -18.015 1.00 80.16 16 A 1 ATOM 129 C CG . GLN A 1 16 ? -9.940 7.625 -18.422 1.00 72.40 16 A 1 ATOM 130 C CD . GLN A 1 16 ? -10.731 6.642 -17.559 1.00 68.04 16 A 1 ATOM 131 O OE1 . GLN A 1 16 ? -10.225 5.716 -16.967 1.00 61.29 16 A 1 ATOM 132 N NE2 . GLN A 1 16 ? -12.034 6.797 -17.472 1.00 57.63 16 A 1 ATOM 133 N N . CYS A 1 17 ? -6.096 9.947 -17.599 1.00 81.56 17 A 1 ATOM 134 C CA . CYS A 1 17 ? -4.809 10.272 -17.000 1.00 81.26 17 A 1 ATOM 135 C C . CYS A 1 17 ? -4.929 10.174 -15.481 1.00 81.38 17 A 1 ATOM 136 O O . CYS A 1 17 ? -5.845 10.760 -14.903 1.00 80.15 17 A 1 ATOM 137 C CB . CYS A 1 17 ? -4.380 11.664 -17.468 1.00 78.86 17 A 1 ATOM 138 S SG . CYS A 1 17 ? -2.686 11.986 -16.930 1.00 71.55 17 A 1 ATOM 139 N N . TYR A 1 18 ? -4.022 9.436 -14.862 1.00 81.15 18 A 1 ATOM 140 C CA . TYR A 1 18 ? -3.924 9.268 -13.418 1.00 81.26 18 A 1 ATOM 141 C C . TYR A 1 18 ? -2.631 9.897 -12.923 1.00 81.62 18 A 1 ATOM 142 O O . TYR A 1 18 ? -1.563 9.621 -13.469 1.00 80.87 18 A 1 ATOM 143 C CB . TYR A 1 18 ? -3.982 7.782 -13.065 1.00 81.40 18 A 1 ATOM 144 C CG . TYR A 1 18 ? -5.301 7.132 -13.422 1.00 80.02 18 A 1 ATOM 145 C CD1 . TYR A 1 18 ? -6.355 7.137 -12.491 1.00 74.18 18 A 1 ATOM 146 C CD2 . TYR A 1 18 ? -5.487 6.547 -14.691 1.00 73.53 18 A 1 ATOM 147 C CE1 . TYR A 1 18 ? -7.586 6.541 -12.815 1.00 70.63 18 A 1 ATOM 148 C CE2 . TYR A 1 18 ? -6.720 5.954 -15.021 1.00 70.89 18 A 1 ATOM 149 C CZ . TYR A 1 18 ? -7.770 5.945 -14.077 1.00 75.43 18 A 1 ATOM 150 O OH . TYR A 1 18 ? -8.959 5.363 -14.384 1.00 74.23 18 A 1 ATOM 151 N N . ASN A 1 19 ? -2.738 10.725 -11.887 1.00 80.82 19 A 1 ATOM 152 C CA . ASN A 1 19 ? -1.581 11.360 -11.269 1.00 79.56 19 A 1 ATOM 153 C C . ASN A 1 19 ? -1.038 10.443 -10.176 1.00 79.15 19 A 1 ATOM 154 O O . ASN A 1 19 ? -1.793 9.997 -9.312 1.00 77.39 19 A 1 ATOM 155 C CB . ASN A 1 19 ? -1.976 12.722 -10.692 1.00 76.59 19 A 1 ATOM 156 C CG . ASN A 1 19 ? -2.550 13.698 -11.701 1.00 70.69 19 A 1 ATOM 157 O OD1 . ASN A 1 19 ? -2.413 13.574 -12.910 1.00 64.23 19 A 1 ATOM 158 N ND2 . ASN A 1 19 ? -3.234 14.711 -11.227 1.00 63.61 19 A 1 ATOM 159 N N . ILE A 1 20 ? 0.255 10.186 -10.208 1.00 80.93 20 A 1 ATOM 160 C CA . ILE A 1 20 ? 0.989 9.536 -9.125 1.00 79.79 20 A 1 ATOM 161 C C . ILE A 1 20 ? 1.817 10.610 -8.437 1.00 78.60 20 A 1 ATOM 162 O O . ILE A 1 20 ? 2.736 11.170 -9.039 1.00 76.87 20 A 1 ATOM 163 C CB . ILE A 1 20 ? 1.852 8.366 -9.634 1.00 79.21 20 A 1 ATOM 164 C CG1 . ILE A 1 20 ? 0.997 7.379 -10.460 1.00 77.24 20 A 1 ATOM 165 C CG2 . ILE A 1 20 ? 2.532 7.683 -8.437 1.00 76.35 20 A 1 ATOM 166 C CD1 . ILE A 1 20 ? 1.728 6.104 -10.883 1.00 72.05 20 A 1 ATOM 167 N N . THR A 1 21 ? 1.469 10.911 -7.191 1.00 78.42 21 A 1 ATOM 168 C CA . THR A 1 21 ? 2.127 11.946 -6.392 1.00 75.24 21 A 1 ATOM 169 C C . THR A 1 21 ? 2.906 11.301 -5.251 1.00 73.12 21 A 1 ATOM 170 O O . THR A 1 21 ? 2.304 10.597 -4.441 1.00 70.36 21 A 1 ATOM 171 C CB . THR A 1 21 ? 1.113 12.962 -5.844 1.00 72.89 21 A 1 ATOM 172 O OG1 . THR A 1 21 ? 0.019 12.319 -5.241 1.00 65.53 21 A 1 ATOM 173 C CG2 . THR A 1 21 ? 0.549 13.838 -6.963 1.00 64.32 21 A 1 ATOM 174 N N . PRO A 1 22 ? 4.226 11.502 -5.158 1.00 71.98 22 A 1 ATOM 175 C CA . PRO A 1 22 ? 4.980 11.062 -3.993 1.00 68.79 22 A 1 ATOM 176 C C . PRO A 1 22 ? 4.489 11.805 -2.741 1.00 67.01 22 A 1 ATOM 177 O O . PRO A 1 22 ? 4.240 13.010 -2.778 1.00 62.81 22 A 1 ATOM 178 C CB . PRO A 1 22 ? 6.449 11.340 -4.323 1.00 66.90 22 A 1 ATOM 179 C CG . PRO A 1 22 ? 6.385 12.507 -5.307 1.00 64.47 22 A 1 ATOM 180 C CD . PRO A 1 22 ? 5.080 12.266 -6.062 1.00 67.60 22 A 1 ATOM 181 N N . ASN A 1 23 ? 4.351 11.076 -1.635 1.00 63.75 23 A 1 ATOM 182 C CA . ASN A 1 23 ? 3.952 11.615 -0.332 1.00 60.85 23 A 1 ATOM 183 C C . ASN A 1 23 ? 5.146 12.296 0.364 1.00 58.88 23 A 1 ATOM 184 O O . ASN A 1 23 ? 5.533 11.954 1.476 1.00 54.65 23 A 1 ATOM 185 C CB . ASN A 1 23 ? 3.292 10.501 0.501 1.00 56.84 23 A 1 ATOM 186 C CG . ASN A 1 23 ? 2.573 11.024 1.734 1.00 51.74 23 A 1 ATOM 187 O OD1 . ASN A 1 23 ? 2.343 12.208 1.915 1.00 47.56 23 A 1 ATOM 188 N ND2 . ASN A 1 23 ? 2.162 10.146 2.618 1.00 46.67 23 A 1 ATOM 189 N N . GLU A 1 24 ? 5.763 13.217 -0.331 1.00 54.92 24 A 1 ATOM 190 C CA . GLU A 1 24 ? 6.737 14.135 0.246 1.00 53.12 24 A 1 ATOM 191 C C . GLU A 1 24 ? 6.015 15.460 0.510 1.00 51.60 24 A 1 ATOM 192 O O . GLU A 1 24 ? 5.271 15.946 -0.343 1.00 47.28 24 A 1 ATOM 193 C CB . GLU A 1 24 ? 7.955 14.285 -0.677 1.00 49.61 24 A 1 ATOM 194 C CG . GLU A 1 24 ? 8.783 12.981 -0.747 1.00 45.02 24 A 1 ATOM 195 C CD . GLU A 1 24 ? 10.041 13.078 -1.630 1.00 42.27 24 A 1 ATOM 196 O OE1 . GLU A 1 24 ? 10.689 12.021 -1.822 1.00 40.06 24 A 1 ATOM 197 O OE2 . GLU A 1 24 ? 10.356 14.192 -2.121 1.00 39.41 24 A 1 ATOM 198 N N . ASN A 1 25 ? 6.232 16.049 1.691 1.00 47.70 25 A 1 ATOM 199 C CA . ASN A 1 25 ? 5.776 17.403 2.033 1.00 46.80 25 A 1 ATOM 200 C C . ASN A 1 25 ? 6.412 18.440 1.087 1.00 46.45 25 A 1 ATOM 201 O O . ASN A 1 25 ? 7.274 19.230 1.481 1.00 42.80 25 A 1 ATOM 202 C CB . ASN A 1 25 ? 6.111 17.698 3.512 1.00 41.65 25 A 1 ATOM 203 C CG . ASN A 1 25 ? 5.099 17.142 4.499 1.00 37.74 25 A 1 ATOM 204 O OD1 . ASN A 1 25 ? 3.914 17.078 4.248 1.00 35.06 25 A 1 ATOM 205 N ND2 . ASN A 1 25 ? 5.530 16.784 5.685 1.00 34.24 25 A 1 ATOM 206 N N . ASN A 1 26 ? 6.030 18.397 -0.179 1.00 47.86 26 A 1 ATOM 207 C CA . ASN A 1 26 ? 6.493 19.334 -1.178 1.00 47.94 26 A 1 ATOM 208 C C . ASN A 1 26 ? 5.708 20.630 -0.994 1.00 47.32 26 A 1 ATOM 209 O O . ASN A 1 26 ? 4.522 20.705 -1.306 1.00 44.59 26 A 1 ATOM 210 C CB . ASN A 1 26 ? 6.403 18.695 -2.581 1.00 44.84 26 A 1 ATOM 211 C CG . ASN A 1 26 ? 7.724 18.073 -3.008 1.00 41.81 26 A 1 ATOM 212 O OD1 . ASN A 1 26 ? 8.792 18.532 -2.644 1.00 39.50 26 A 1 ATOM 213 N ND2 . ASN A 1 26 ? 7.705 17.051 -3.825 1.00 38.60 26 A 1 ATOM 214 N N . ASN A 1 27 ? 6.395 21.656 -0.500 1.00 48.95 27 A 1 ATOM 215 C CA . ASN A 1 27 ? 5.917 23.033 -0.345 1.00 50.74 27 A 1 ATOM 216 C C . ASN A 1 27 ? 5.523 23.669 -1.706 1.00 50.59 27 A 1 ATOM 217 O O . ASN A 1 27 ? 6.122 24.650 -2.138 1.00 47.07 27 A 1 ATOM 218 C CB . ASN A 1 27 ? 7.028 23.845 0.358 1.00 47.59 27 A 1 ATOM 219 C CG . ASN A 1 27 ? 7.201 23.523 1.835 1.00 44.00 27 A 1 ATOM 220 O OD1 . ASN A 1 27 ? 6.260 23.252 2.557 1.00 41.91 27 A 1 ATOM 221 N ND2 . ASN A 1 27 ? 8.408 23.598 2.349 1.00 40.60 27 A 1 ATOM 222 N N . GLY A 1 28 ? 4.552 23.065 -2.410 1.00 49.38 28 A 1 ATOM 223 C CA . GLY A 1 28 ? 3.994 23.572 -3.665 1.00 49.44 28 A 1 ATOM 224 C C . GLY A 1 28 ? 4.809 23.295 -4.939 1.00 49.97 28 A 1 ATOM 225 O O . GLY A 1 28 ? 4.464 23.830 -5.990 1.00 47.42 28 A 1 ATOM 226 N N . TYR A 1 29 ? 5.847 22.460 -4.890 1.00 49.16 29 A 1 ATOM 227 C CA . TYR A 1 29 ? 6.606 22.076 -6.084 1.00 50.30 29 A 1 ATOM 228 C C . TYR A 1 29 ? 6.122 20.723 -6.630 1.00 50.88 29 A 1 ATOM 229 O O . TYR A 1 29 ? 6.202 19.705 -5.951 1.00 48.54 29 A 1 ATOM 230 C CB . TYR A 1 29 ? 8.112 22.075 -5.782 1.00 47.09 29 A 1 ATOM 231 C CG . TYR A 1 29 ? 8.669 23.448 -5.443 1.00 43.81 29 A 1 ATOM 232 C CD1 . TYR A 1 29 ? 8.965 24.363 -6.472 1.00 41.42 29 A 1 ATOM 233 C CD2 . TYR A 1 29 ? 8.875 23.819 -4.099 1.00 40.62 29 A 1 ATOM 234 C CE1 . TYR A 1 29 ? 9.458 25.645 -6.158 1.00 36.86 29 A 1 ATOM 235 C CE2 . TYR A 1 29 ? 9.365 25.102 -3.783 1.00 39.57 29 A 1 ATOM 236 C CZ . TYR A 1 29 ? 9.656 26.015 -4.813 1.00 38.13 29 A 1 ATOM 237 O OH . TYR A 1 29 ? 10.120 27.256 -4.508 1.00 37.01 29 A 1 ATOM 238 N N . HIS A 1 30 ? 5.678 20.695 -7.879 1.00 52.78 30 A 1 ATOM 239 C CA . HIS A 1 30 ? 5.264 19.487 -8.615 1.00 54.86 30 A 1 ATOM 240 C C . HIS A 1 30 ? 6.441 18.561 -9.011 1.00 56.42 30 A 1 ATOM 241 O O . HIS A 1 30 ? 6.398 17.893 -10.045 1.00 54.33 30 A 1 ATOM 242 C CB . HIS A 1 30 ? 4.452 19.908 -9.853 1.00 50.92 30 A 1 ATOM 243 C CG . HIS A 1 30 ? 3.153 20.600 -9.529 1.00 46.99 30 A 1 ATOM 244 N ND1 . HIS A 1 30 ? 2.011 19.988 -9.063 1.00 43.92 30 A 1 ATOM 245 C CD2 . HIS A 1 30 ? 2.867 21.932 -9.669 1.00 41.82 30 A 1 ATOM 246 C CE1 . HIS A 1 30 ? 1.061 20.930 -8.925 1.00 39.98 30 A 1 ATOM 247 N NE2 . HIS A 1 30 ? 1.540 22.132 -9.284 1.00 40.20 30 A 1 ATOM 248 N N . ILE A 1 31 ? 7.512 18.543 -8.236 1.00 60.95 31 A 1 ATOM 249 C CA . ILE A 1 31 ? 8.678 17.696 -8.506 1.00 62.28 31 A 1 ATOM 250 C C . ILE A 1 31 ? 8.318 16.259 -8.118 1.00 63.46 31 A 1 ATOM 251 O O . ILE A 1 31 ? 7.886 16.012 -6.998 1.00 58.77 31 A 1 ATOM 252 C CB . ILE A 1 31 ? 9.933 18.233 -7.777 1.00 59.39 31 A 1 ATOM 253 C CG1 . ILE A 1 31 ? 10.250 19.672 -8.254 1.00 54.56 31 A 1 ATOM 254 C CG2 . ILE A 1 31 ? 11.136 17.308 -8.034 1.00 54.02 31 A 1 ATOM 255 C CD1 . ILE A 1 31 ? 11.386 20.364 -7.484 1.00 50.77 31 A 1 ATOM 256 N N . GLY A 1 32 ? 8.471 15.315 -9.044 1.00 71.62 32 A 1 ATOM 257 C CA . GLY A 1 32 ? 8.209 13.891 -8.807 1.00 72.68 32 A 1 ATOM 258 C C . GLY A 1 32 ? 6.810 13.401 -9.193 1.00 75.90 32 A 1 ATOM 259 O O . GLY A 1 32 ? 6.556 12.210 -9.087 1.00 73.69 32 A 1 ATOM 260 N N . VAL A 1 33 ? 5.911 14.265 -9.687 1.00 75.61 33 A 1 ATOM 261 C CA . VAL A 1 33 ? 4.607 13.817 -10.205 1.00 77.66 33 A 1 ATOM 262 C C . VAL A 1 33 ? 4.802 13.025 -11.501 1.00 79.42 33 A 1 ATOM 263 O O . VAL A 1 33 ? 5.452 13.497 -12.435 1.00 79.08 33 A 1 ATOM 264 C CB . VAL A 1 33 ? 3.623 14.981 -10.425 1.00 75.36 33 A 1 ATOM 265 C CG1 . VAL A 1 33 ? 2.256 14.486 -10.927 1.00 68.79 33 A 1 ATOM 266 C CG2 . VAL A 1 33 ? 3.381 15.750 -9.118 1.00 69.84 33 A 1 ATOM 267 N N . ILE A 1 34 ? 4.202 11.834 -11.551 1.00 81.07 34 A 1 ATOM 268 C CA . ILE A 1 34 ? 4.137 10.980 -12.735 1.00 82.64 34 A 1 ATOM 269 C C . ILE A 1 34 ? 2.688 10.914 -13.213 1.00 83.03 34 A 1 ATOM 270 O O . ILE A 1 34 ? 1.760 10.757 -12.421 1.00 82.08 34 A 1 ATOM 271 C CB . ILE A 1 34 ? 4.704 9.579 -12.425 1.00 82.39 34 A 1 ATOM 272 C CG1 . ILE A 1 34 ? 6.181 9.624 -11.970 1.00 79.59 34 A 1 ATOM 273 C CG2 . ILE A 1 34 ? 4.542 8.621 -13.616 1.00 80.01 34 A 1 ATOM 274 C CD1 . ILE A 1 34 ? 7.173 10.206 -12.987 1.00 74.25 34 A 1 ATOM 275 N N . PHE A 1 35 ? 2.487 10.980 -14.518 1.00 84.17 35 A 1 ATOM 276 C CA . PHE A 1 35 ? 1.186 10.825 -15.158 1.00 83.85 35 A 1 ATOM 277 C C . PHE A 1 35 ? 1.119 9.463 -15.840 1.00 85.36 35 A 1 ATOM 278 O O . PHE A 1 35 ? 1.918 9.180 -16.721 1.00 84.50 35 A 1 ATOM 279 C CB . PHE A 1 35 ? 0.969 11.966 -16.154 1.00 81.69 35 A 1 ATOM 280 C CG . PHE A 1 35 ? 1.066 13.347 -15.535 1.00 78.37 35 A 1 ATOM 281 C CD1 . PHE A 1 35 ? -0.042 13.898 -14.866 1.00 73.97 35 A 1 ATOM 282 C CD2 . PHE A 1 35 ? 2.274 14.067 -15.597 1.00 72.74 35 A 1 ATOM 283 C CE1 . PHE A 1 35 ? 0.056 15.167 -14.269 1.00 70.81 35 A 1 ATOM 284 C CE2 . PHE A 1 35 ? 2.373 15.335 -14.997 1.00 70.15 35 A 1 ATOM 285 C CZ . PHE A 1 35 ? 1.261 15.886 -14.334 1.00 71.77 35 A 1 ATOM 286 N N . VAL A 1 36 ? 0.145 8.623 -15.469 1.00 85.43 36 A 1 ATOM 287 C CA . VAL A 1 36 ? -0.101 7.337 -16.135 1.00 86.25 36 A 1 ATOM 288 C C . VAL A 1 36 ? -1.275 7.488 -17.091 1.00 86.15 36 A 1 ATOM 289 O O . VAL A 1 36 ? -2.358 7.920 -16.704 1.00 85.79 36 A 1 ATOM 290 C CB . VAL A 1 36 ? -0.320 6.208 -15.113 1.00 86.28 36 A 1 ATOM 291 C CG1 . VAL A 1 36 ? -0.630 4.876 -15.803 1.00 80.38 36 A 1 ATOM 292 C CG2 . VAL A 1 36 ? 0.942 6.000 -14.278 1.00 80.60 36 A 1 ATOM 293 N N . ILE A 1 37 ? -1.067 7.119 -18.353 1.00 87.20 37 A 1 ATOM 294 C CA . ILE A 1 37 ? -2.040 7.264 -19.434 1.00 87.52 37 A 1 ATOM 295 C C . ILE A 1 37 ? -2.687 5.907 -19.692 1.00 88.21 37 A 1 ATOM 296 O O . ILE A 1 37 ? -2.026 4.954 -20.114 1.00 88.07 37 A 1 ATOM 297 C CB . ILE A 1 37 ? -1.375 7.863 -20.693 1.00 86.82 37 A 1 ATOM 298 C CG1 . ILE A 1 37 ? -0.687 9.211 -20.364 1.00 85.07 37 A 1 ATOM 299 C CG2 . ILE A 1 37 ? -2.427 8.051 -21.799 1.00 83.93 37 A 1 ATOM 300 C CD1 . ILE A 1 37 ? 0.177 9.763 -21.504 1.00 76.93 37 A 1 ATOM 301 N N . VAL A 1 38 ? -4.002 5.821 -19.449 1.00 86.09 38 A 1 ATOM 302 C CA . VAL A 1 38 ? -4.788 4.588 -19.526 1.00 85.79 38 A 1 ATOM 303 C C . VAL A 1 38 ? -5.827 4.703 -20.629 1.00 85.44 38 A 1 ATOM 304 O O . VAL A 1 38 ? -6.599 5.660 -20.683 1.00 84.34 38 A 1 ATOM 305 C CB . VAL A 1 38 ? -5.444 4.261 -18.174 1.00 85.09 38 A 1 ATOM 306 C CG1 . VAL A 1 38 ? -6.232 2.943 -18.225 1.00 79.83 38 A 1 ATOM 307 C CG2 . VAL A 1 38 ? -4.383 4.135 -17.073 1.00 79.28 38 A 1 ATOM 308 N N . LYS A 1 39 ? -5.879 3.699 -21.509 1.00 87.79 39 A 1 ATOM 309 C CA . LYS A 1 39 ? -6.879 3.574 -22.563 1.00 87.55 39 A 1 ATOM 310 C C . LYS A 1 39 ? -7.426 2.153 -22.571 1.00 87.94 39 A 1 ATOM 311 O O . LYS A 1 39 ? -6.652 1.212 -22.519 1.00 87.02 39 A 1 ATOM 312 C CB . LYS A 1 39 ? -6.241 3.959 -23.899 1.00 85.99 39 A 1 ATOM 313 C CG . LYS A 1 39 ? -7.293 3.960 -25.008 1.00 83.11 39 A 1 ATOM 314 C CD . LYS A 1 39 ? -6.662 4.303 -26.350 1.00 79.68 39 A 1 ATOM 315 C CE . LYS A 1 39 ? -7.763 4.180 -27.400 1.00 74.13 39 A 1 ATOM 316 N NZ . LYS A 1 39 ? -7.218 4.359 -28.762 1.00 67.51 39 A 1 ATOM 317 N N . ASP A 1 40 ? -8.753 2.006 -22.631 1.00 87.27 40 A 1 ATOM 318 C CA . ASP A 1 40 ? -9.426 0.696 -22.683 1.00 87.82 40 A 1 ATOM 319 C C . ASP A 1 40 ? -8.986 -0.255 -21.538 1.00 89.05 40 A 1 ATOM 320 O O . ASP A 1 40 ? -8.860 -1.458 -21.710 1.00 87.11 40 A 1 ATOM 321 C CB . ASP A 1 40 ? -9.329 0.111 -24.113 1.00 86.83 40 A 1 ATOM 322 C CG . ASP A 1 40 ? -9.841 1.099 -25.178 1.00 84.67 40 A 1 ATOM 323 O OD1 . ASP A 1 40 ? -10.883 1.749 -24.918 1.00 79.14 40 A 1 ATOM 324 O OD2 . ASP A 1 40 ? -9.173 1.278 -26.226 1.00 78.86 40 A 1 ATOM 325 N N . ASN A 1 41 ? -8.766 0.312 -20.344 1.00 86.84 41 A 1 ATOM 326 C CA . ASN A 1 41 ? -8.265 -0.374 -19.143 1.00 85.92 41 A 1 ATOM 327 C C . ASN A 1 41 ? -6.824 -0.934 -19.261 1.00 86.50 41 A 1 ATOM 328 O O . ASN A 1 41 ? -6.428 -1.820 -18.499 1.00 84.22 41 A 1 ATOM 329 C CB . ASN A 1 41 ? -9.310 -1.394 -18.656 1.00 83.50 41 A 1 ATOM 330 C CG . ASN A 1 41 ? -9.106 -1.778 -17.206 1.00 74.26 41 A 1 ATOM 331 O OD1 . ASN A 1 41 ? -9.125 -0.951 -16.314 1.00 65.63 41 A 1 ATOM 332 N ND2 . ASN A 1 41 ? -8.940 -3.048 -16.912 1.00 63.88 41 A 1 ATOM 333 N N . GLU A 1 42 ? -6.035 -0.396 -20.183 1.00 85.92 42 A 1 ATOM 334 C CA . GLU A 1 42 ? -4.612 -0.694 -20.347 1.00 87.43 42 A 1 ATOM 335 C C . GLU A 1 42 ? -3.769 0.573 -20.181 1.00 88.10 42 A 1 ATOM 336 O O . GLU A 1 42 ? -4.138 1.652 -20.648 1.00 87.11 42 A 1 ATOM 337 C CB . GLU A 1 42 ? -4.337 -1.346 -21.708 1.00 87.43 42 A 1 ATOM 338 C CG . GLU A 1 42 ? -5.053 -2.698 -21.878 1.00 85.07 42 A 1 ATOM 339 C CD . GLU A 1 42 ? -4.647 -3.419 -23.167 1.00 83.17 42 A 1 ATOM 340 O OE1 . GLU A 1 42 ? -4.543 -4.669 -23.116 1.00 73.03 42 A 1 ATOM 341 O OE2 . GLU A 1 42 ? -4.441 -2.736 -24.196 1.00 74.66 42 A 1 ATOM 342 N N . ILE A 1 43 ? -2.626 0.436 -19.523 1.00 87.40 43 A 1 ATOM 343 C CA . ILE A 1 43 ? -1.599 1.472 -19.475 1.00 87.25 43 A 1 ATOM 344 C C . ILE A 1 43 ? -0.905 1.480 -20.833 1.00 87.26 43 A 1 ATOM 345 O O . ILE A 1 43 ? -0.349 0.464 -21.242 1.00 86.09 43 A 1 ATOM 346 C CB . ILE A 1 43 ? -0.585 1.231 -18.339 1.00 87.22 43 A 1 ATOM 347 C CG1 . ILE A 1 43 ? -1.279 1.019 -16.975 1.00 86.16 43 A 1 ATOM 348 C CG2 . ILE A 1 43 ? 0.384 2.428 -18.272 1.00 85.07 43 A 1 ATOM 349 C CD1 . ILE A 1 43 ? -0.338 0.490 -15.888 1.00 82.70 43 A 1 ATOM 350 N N . VAL A 1 44 ? -0.946 2.607 -21.518 1.00 89.77 44 A 1 ATOM 351 C CA . VAL A 1 44 ? -0.390 2.764 -22.875 1.00 88.82 44 A 1 ATOM 352 C C . VAL A 1 44 ? 0.816 3.703 -22.920 1.00 88.88 44 A 1 ATOM 353 O O . VAL A 1 44 ? 1.619 3.642 -23.845 1.00 87.93 44 A 1 ATOM 354 C CB . VAL A 1 44 ? -1.470 3.215 -23.876 1.00 88.61 44 A 1 ATOM 355 C CG1 . VAL A 1 44 ? -2.556 2.141 -24.037 1.00 83.33 44 A 1 ATOM 356 C CG2 . VAL A 1 44 ? -2.150 4.539 -23.487 1.00 82.79 44 A 1 ATOM 357 N N . ALA A 1 45 ? 0.938 4.574 -21.929 1.00 89.43 45 A 1 ATOM 358 C CA . ALA A 1 45 ? 2.065 5.486 -21.793 1.00 89.05 45 A 1 ATOM 359 C C . ALA A 1 45 ? 2.157 6.024 -20.361 1.00 89.57 45 A 1 ATOM 360 O O . ALA A 1 45 ? 1.214 5.917 -19.575 1.00 89.26 45 A 1 ATOM 361 C CB . ALA A 1 45 ? 1.904 6.637 -22.803 1.00 88.09 45 A 1 ATOM 362 N N . TRP A 1 46 ? 3.270 6.666 -20.054 1.00 88.70 46 A 1 ATOM 363 C CA . TRP A 1 46 ? 3.410 7.517 -18.879 1.00 88.18 46 A 1 ATOM 364 C C . TRP A 1 46 ? 4.116 8.823 -19.253 1.00 87.34 46 A 1 ATOM 365 O O . TRP A 1 46 ? 4.731 8.925 -20.315 1.00 86.18 46 A 1 ATOM 366 C CB . TRP A 1 46 ? 4.132 6.745 -17.769 1.00 87.51 46 A 1 ATOM 367 C CG . TRP A 1 46 ? 5.572 6.443 -18.053 1.00 87.51 46 A 1 ATOM 368 C CD1 . TRP A 1 46 ? 6.046 5.401 -18.764 1.00 85.12 46 A 1 ATOM 369 C CD2 . TRP A 1 46 ? 6.743 7.215 -17.644 1.00 86.42 46 A 1 ATOM 370 N NE1 . TRP A 1 46 ? 7.422 5.461 -18.824 1.00 83.53 46 A 1 ATOM 371 C CE2 . TRP A 1 46 ? 7.908 6.561 -18.144 1.00 85.04 46 A 1 ATOM 372 C CE3 . TRP A 1 46 ? 6.934 8.395 -16.896 1.00 83.45 46 A 1 ATOM 373 C CZ2 . TRP A 1 46 ? 9.200 7.052 -17.912 1.00 83.69 46 A 1 ATOM 374 C CZ3 . TRP A 1 46 ? 8.224 8.897 -16.657 1.00 81.85 46 A 1 ATOM 375 C CH2 . TRP A 1 46 ? 9.359 8.230 -17.163 1.00 81.44 46 A 1 ATOM 376 N N . ALA A 1 47 ? 4.011 9.834 -18.397 1.00 86.55 47 A 1 ATOM 377 C CA . ALA A 1 47 ? 4.712 11.096 -18.587 1.00 85.42 47 A 1 ATOM 378 C C . ALA A 1 47 ? 5.300 11.611 -17.272 1.00 85.44 47 A 1 ATOM 379 O O . ALA A 1 47 ? 4.737 11.396 -16.199 1.00 84.48 47 A 1 ATOM 380 C CB . ALA A 1 47 ? 3.779 12.116 -19.249 1.00 83.83 47 A 1 ATOM 381 N N . ASP A 1 48 ? 6.423 12.300 -17.364 1.00 82.98 48 A 1 ATOM 382 C CA . ASP A 1 48 ? 7.021 12.993 -16.225 1.00 81.10 48 A 1 ATOM 383 C C . ASP A 1 48 ? 6.329 14.344 -15.960 1.00 79.91 48 A 1 ATOM 384 O O . ASP A 1 48 ? 5.517 14.834 -16.750 1.00 78.37 48 A 1 ATOM 385 C CB . ASP A 1 48 ? 8.551 13.105 -16.416 1.00 79.33 48 A 1 ATOM 386 C CG . ASP A 1 48 ? 9.028 14.042 -17.541 1.00 77.30 48 A 1 ATOM 387 O OD1 . ASP A 1 48 ? 8.261 14.920 -17.982 1.00 74.46 48 A 1 ATOM 388 O OD2 . ASP A 1 48 ? 10.208 13.925 -17.952 1.00 73.67 48 A 1 ATOM 389 N N . PHE A 1 49 ? 6.691 14.982 -14.842 1.00 78.14 49 A 1 ATOM 390 C CA . PHE A 1 49 ? 6.172 16.305 -14.466 1.00 75.43 49 A 1 ATOM 391 C C . PHE A 1 49 ? 6.537 17.425 -15.461 1.00 74.23 49 A 1 ATOM 392 O O . PHE A 1 49 ? 5.942 18.499 -15.416 1.00 71.80 49 A 1 ATOM 393 C CB . PHE A 1 49 ? 6.674 16.659 -13.061 1.00 73.26 49 A 1 ATOM 394 C CG . PHE A 1 49 ? 8.136 17.061 -12.992 1.00 69.42 49 A 1 ATOM 395 C CD1 . PHE A 1 49 ? 9.144 16.093 -12.843 1.00 65.79 49 A 1 ATOM 396 C CD2 . PHE A 1 49 ? 8.490 18.423 -13.075 1.00 64.34 49 A 1 ATOM 397 C CE1 . PHE A 1 49 ? 10.493 16.477 -12.771 1.00 60.04 49 A 1 ATOM 398 C CE2 . PHE A 1 49 ? 9.843 18.808 -13.008 1.00 60.19 49 A 1 ATOM 399 C CZ . PHE A 1 49 ? 10.842 17.835 -12.853 1.00 60.26 49 A 1 ATOM 400 N N . LYS A 1 50 ? 7.497 17.195 -16.350 1.00 77.65 50 A 1 ATOM 401 C CA . LYS A 1 50 ? 7.873 18.131 -17.424 1.00 77.26 50 A 1 ATOM 402 C C . LYS A 1 50 ? 7.007 17.947 -18.670 1.00 77.72 50 A 1 ATOM 403 O O . LYS A 1 50 ? 7.112 18.733 -19.608 1.00 75.04 50 A 1 ATOM 404 C CB . LYS A 1 50 ? 9.362 17.982 -17.770 1.00 76.18 50 A 1 ATOM 405 C CG . LYS A 1 50 ? 10.281 18.236 -16.571 1.00 72.69 50 A 1 ATOM 406 C CD . LYS A 1 50 ? 11.741 18.012 -16.966 1.00 70.16 50 A 1 ATOM 407 C CE . LYS A 1 50 ? 12.634 18.252 -15.749 1.00 64.36 50 A 1 ATOM 408 N NZ . LYS A 1 50 ? 14.045 17.889 -16.035 1.00 58.91 50 A 1 ATOM 409 N N . GLY A 1 51 ? 6.146 16.923 -18.681 1.00 76.36 51 A 1 ATOM 410 C CA . GLY A 1 51 ? 5.279 16.574 -19.803 1.00 75.48 51 A 1 ATOM 411 C C . GLY A 1 51 ? 5.964 15.725 -20.876 1.00 77.68 51 A 1 ATOM 412 O O . GLY A 1 51 ? 5.381 15.527 -21.942 1.00 75.37 51 A 1 ATOM 413 N N . THR A 1 52 ? 7.168 15.200 -20.610 1.00 78.73 52 A 1 ATOM 414 C CA . THR A 1 52 ? 7.827 14.245 -21.506 1.00 80.90 52 A 1 ATOM 415 C C . THR A 1 52 ? 7.076 12.922 -21.452 1.00 82.56 52 A 1 ATOM 416 O O . THR A 1 52 ? 6.971 12.316 -20.391 1.00 81.93 52 A 1 ATOM 417 C CB . THR A 1 52 ? 9.292 13.998 -21.129 1.00 79.88 52 A 1 ATOM 418 O OG1 . THR A 1 52 ? 9.970 15.201 -20.899 1.00 76.65 52 A 1 ATOM 419 C CG2 . THR A 1 52 ? 10.034 13.258 -22.248 1.00 76.20 52 A 1 ATOM 420 N N . THR A 1 53 ? 6.538 12.473 -22.586 1.00 82.34 53 A 1 ATOM 421 C CA . THR A 1 53 ? 5.720 11.254 -22.669 1.00 83.36 53 A 1 ATOM 422 C C . THR A 1 53 ? 6.536 10.077 -23.200 1.00 84.04 53 A 1 ATOM 423 O O . THR A 1 53 ? 7.235 10.204 -24.205 1.00 83.17 53 A 1 ATOM 424 C CB . THR A 1 53 ? 4.477 11.472 -23.543 1.00 81.99 53 A 1 ATOM 425 O OG1 . THR A 1 53 ? 3.734 12.573 -23.080 1.00 77.40 53 A 1 ATOM 426 C CG2 . THR A 1 53 ? 3.525 10.271 -23.540 1.00 77.11 53 A 1 ATOM 427 N N . TYR A 1 54 ? 6.378 8.928 -22.556 1.00 86.26 54 A 1 ATOM 428 C CA . TYR A 1 54 ? 7.028 7.662 -22.870 1.00 86.14 54 A 1 ATOM 429 C C . TYR A 1 54 ? 5.955 6.612 -23.159 1.00 87.39 54 A 1 ATOM 430 O O . TYR A 1 54 ? 5.138 6.298 -22.295 1.00 86.02 54 A 1 ATOM 431 C CB . TYR A 1 54 ? 7.911 7.244 -21.695 1.00 85.65 54 A 1 ATOM 432 C CG . TYR A 1 54 ? 8.947 8.277 -21.288 1.00 84.33 54 A 1 ATOM 433 C CD1 . TYR A 1 54 ? 10.237 8.256 -21.856 1.00 79.57 54 A 1 ATOM 434 C CD2 . TYR A 1 54 ? 8.615 9.273 -20.346 1.00 79.10 54 A 1 ATOM 435 C CE1 . TYR A 1 54 ? 11.195 9.217 -21.473 1.00 77.23 54 A 1 ATOM 436 C CE2 . TYR A 1 54 ? 9.568 10.237 -19.968 1.00 76.75 54 A 1 ATOM 437 C CZ . TYR A 1 54 ? 10.861 10.208 -20.527 1.00 79.67 54 A 1 ATOM 438 O OH . TYR A 1 54 ? 11.784 11.137 -20.154 1.00 77.64 54 A 1 ATOM 439 N N . ASP A 1 55 ? 5.944 6.069 -24.374 1.00 86.93 55 A 1 ATOM 440 C CA . ASP A 1 55 ? 5.045 4.964 -24.698 1.00 86.32 55 A 1 ATOM 441 C C . ASP A 1 55 ? 5.518 3.677 -24.011 1.00 86.15 55 A 1 ATOM 442 O O . ASP A 1 55 ? 6.718 3.417 -23.907 1.00 83.89 55 A 1 ATOM 443 C CB . ASP A 1 55 ? 4.988 4.714 -26.205 1.00 84.28 55 A 1 ATOM 444 C CG . ASP A 1 55 ? 4.552 5.912 -27.034 1.00 80.66 55 A 1 ATOM 445 O OD1 . ASP A 1 55 ? 3.505 6.545 -26.791 1.00 75.46 55 A 1 ATOM 446 O OD2 . ASP A 1 55 ? 5.189 6.152 -28.083 1.00 75.24 55 A 1 ATOM 447 N N . VAL A 1 56 ? 4.560 2.840 -23.614 1.00 86.72 56 A 1 ATOM 448 C CA . VAL A 1 56 ? 4.821 1.486 -23.118 1.00 86.41 56 A 1 ATOM 449 C C . VAL A 1 56 ? 4.068 0.470 -23.971 1.00 86.24 56 A 1 ATOM 450 O O . VAL A 1 56 ? 3.072 0.798 -24.623 1.00 83.74 56 A 1 ATOM 451 C CB . VAL A 1 56 ? 4.502 1.341 -21.615 1.00 85.42 56 A 1 ATOM 452 C CG1 . VAL A 1 56 ? 5.336 2.330 -20.786 1.00 78.15 56 A 1 ATOM 453 C CG2 . VAL A 1 56 ? 3.024 1.543 -21.275 1.00 77.89 56 A 1 ATOM 454 N N . ASN A 1 57 ? 4.539 -0.776 -23.975 1.00 85.34 57 A 1 ATOM 455 C CA . ASN A 1 57 ? 3.706 -1.855 -24.496 1.00 84.07 57 A 1 ATOM 456 C C . ASN A 1 57 ? 2.434 -1.927 -23.642 1.00 84.91 57 A 1 ATOM 457 O O . ASN A 1 57 ? 2.566 -1.945 -22.416 1.00 83.11 57 A 1 ATOM 458 C CB . ASN A 1 57 ? 4.476 -3.182 -24.455 1.00 83.16 57 A 1 ATOM 459 C CG . ASN A 1 57 ? 5.585 -3.241 -25.487 1.00 76.42 57 A 1 ATOM 460 O OD1 . ASN A 1 57 ? 5.492 -2.731 -26.591 1.00 67.54 57 A 1 ATOM 461 N ND2 . ASN A 1 57 ? 6.682 -3.888 -25.170 1.00 67.32 57 A 1 ATOM 462 N N . PRO A 1 58 ? 1.226 -1.961 -24.239 1.00 85.88 58 A 1 ATOM 463 C CA . PRO A 1 58 ? -0.016 -1.959 -23.473 1.00 86.31 58 A 1 ATOM 464 C C . PRO A 1 58 ? -0.062 -3.102 -22.458 1.00 86.11 58 A 1 ATOM 465 O O . PRO A 1 58 ? 0.149 -4.266 -22.802 1.00 82.41 58 A 1 ATOM 466 C CB . PRO A 1 58 ? -1.148 -2.044 -24.500 1.00 85.19 58 A 1 ATOM 467 C CG . PRO A 1 58 ? -0.527 -1.419 -25.746 1.00 83.92 58 A 1 ATOM 468 C CD . PRO A 1 58 ? 0.932 -1.860 -25.659 1.00 85.46 58 A 1 ATOM 469 N N . VAL A 1 59 ? -0.330 -2.764 -21.194 1.00 85.77 59 A 1 ATOM 470 C CA . VAL A 1 59 ? -0.485 -3.720 -20.090 1.00 84.85 59 A 1 ATOM 471 C C . VAL A 1 59 ? -1.747 -3.384 -19.291 1.00 86.00 59 A 1 ATOM 472 O O . VAL A 1 59 ? -2.056 -2.201 -19.128 1.00 85.85 59 A 1 ATOM 473 C CB . VAL A 1 59 ? 0.743 -3.767 -19.156 1.00 83.27 59 A 1 ATOM 474 C CG1 . VAL A 1 59 ? 1.961 -4.363 -19.864 1.00 75.97 59 A 1 ATOM 475 C CG2 . VAL A 1 59 ? 1.133 -2.405 -18.564 1.00 74.84 59 A 1 ATOM 476 N N . PRO A 1 60 ? -2.474 -4.382 -18.753 1.00 84.71 60 A 1 ATOM 477 C CA . PRO A 1 60 ? -3.676 -4.126 -17.959 1.00 82.88 60 A 1 ATOM 478 C C . PRO A 1 60 ? -3.428 -3.116 -16.830 1.00 82.00 60 A 1 ATOM 479 O O . PRO A 1 60 ? -2.414 -3.184 -16.135 1.00 79.65 60 A 1 ATOM 480 C CB . PRO A 1 60 ? -4.107 -5.489 -17.409 1.00 82.11 60 A 1 ATOM 481 C CG . PRO A 1 60 ? -3.583 -6.466 -18.464 1.00 80.91 60 A 1 ATOM 482 C CD . PRO A 1 60 ? -2.275 -5.817 -18.917 1.00 82.10 60 A 1 ATOM 483 N N . PHE A 1 61 ? -4.378 -2.202 -16.618 1.00 81.81 61 A 1 ATOM 484 C CA . PHE A 1 61 ? -4.303 -1.213 -15.546 1.00 79.11 61 A 1 ATOM 485 C C . PHE A 1 61 ? -4.543 -1.872 -14.182 1.00 76.09 61 A 1 ATOM 486 O O . PHE A 1 61 ? -5.666 -1.965 -13.688 1.00 73.47 61 A 1 ATOM 487 C CB . PHE A 1 61 ? -5.275 -0.065 -15.833 1.00 79.38 61 A 1 ATOM 488 C CG . PHE A 1 61 ? -5.199 1.072 -14.829 1.00 78.33 61 A 1 ATOM 489 C CD1 . PHE A 1 61 ? -6.345 1.451 -14.098 1.00 70.92 61 A 1 ATOM 490 C CD2 . PHE A 1 61 ? -3.993 1.766 -14.635 1.00 70.81 61 A 1 ATOM 491 C CE1 . PHE A 1 61 ? -6.278 2.524 -13.192 1.00 70.00 61 A 1 ATOM 492 C CE2 . PHE A 1 61 ? -3.924 2.833 -13.721 1.00 69.47 61 A 1 ATOM 493 C CZ . PHE A 1 61 ? -5.070 3.216 -13.003 1.00 75.73 61 A 1 ATOM 494 N N . THR A 1 62 ? -3.472 -2.381 -13.588 1.00 76.63 62 A 1 ATOM 495 C CA . THR A 1 62 ? -3.476 -3.069 -12.289 1.00 74.37 62 A 1 ATOM 496 C C . THR A 1 62 ? -2.370 -2.521 -11.397 1.00 74.22 62 A 1 ATOM 497 O O . THR A 1 62 ? -1.354 -2.026 -11.893 1.00 73.09 62 A 1 ATOM 498 C CB . THR A 1 62 ? -3.296 -4.591 -12.430 1.00 72.66 62 A 1 ATOM 499 O OG1 . THR A 1 62 ? -2.015 -4.910 -12.926 1.00 68.72 62 A 1 ATOM 500 C CG2 . THR A 1 62 ? -4.327 -5.257 -13.343 1.00 67.96 62 A 1 ATOM 501 N N . TYR A 1 63 ? -2.530 -2.691 -10.080 1.00 69.98 63 A 1 ATOM 502 C CA . TYR A 1 63 ? -1.497 -2.353 -9.094 1.00 68.27 63 A 1 ATOM 503 C C . TYR A 1 63 ? -0.124 -2.935 -9.471 1.00 70.22 63 A 1 ATOM 504 O O . TYR A 1 63 ? 0.877 -2.225 -9.463 1.00 68.95 63 A 1 ATOM 505 C CB . TYR A 1 63 ? -1.943 -2.877 -7.720 1.00 64.93 63 A 1 ATOM 506 C CG . TYR A 1 63 ? -0.887 -2.732 -6.640 1.00 60.19 63 A 1 ATOM 507 C CD1 . TYR A 1 63 ? -0.002 -3.793 -6.362 1.00 55.26 63 A 1 ATOM 508 C CD2 . TYR A 1 63 ? -0.763 -1.516 -5.944 1.00 54.06 63 A 1 ATOM 509 C CE1 . TYR A 1 63 ? 1.009 -3.635 -5.395 1.00 50.11 63 A 1 ATOM 510 C CE2 . TYR A 1 63 ? 0.247 -1.356 -4.975 1.00 49.72 63 A 1 ATOM 511 C CZ . TYR A 1 63 ? 1.137 -2.413 -4.702 1.00 50.07 63 A 1 ATOM 512 O OH . TYR A 1 63 ? 2.119 -2.257 -3.775 1.00 49.79 63 A 1 ATOM 513 N N . TYR A 1 64 ? -0.081 -4.212 -9.861 1.00 66.68 64 A 1 ATOM 514 C CA . TYR A 1 64 ? 1.173 -4.898 -10.187 1.00 67.01 64 A 1 ATOM 515 C C . TYR A 1 64 ? 1.868 -4.299 -11.411 1.00 69.85 64 A 1 ATOM 516 O O . TYR A 1 64 ? 3.066 -4.044 -11.361 1.00 68.76 64 A 1 ATOM 517 C CB . TYR A 1 64 ? 0.905 -6.390 -10.395 1.00 63.33 64 A 1 ATOM 518 C CG . TYR A 1 64 ? 0.400 -7.096 -9.150 1.00 59.59 64 A 1 ATOM 519 C CD1 . TYR A 1 64 ? 1.269 -7.296 -8.057 1.00 54.86 64 A 1 ATOM 520 C CD2 . TYR A 1 64 ? -0.938 -7.536 -9.071 1.00 52.20 64 A 1 ATOM 521 C CE1 . TYR A 1 64 ? 0.806 -7.935 -6.890 1.00 48.84 64 A 1 ATOM 522 C CE2 . TYR A 1 64 ? -1.405 -8.177 -7.905 1.00 48.99 64 A 1 ATOM 523 C CZ . TYR A 1 64 ? -0.530 -8.377 -6.814 1.00 49.07 64 A 1 ATOM 524 O OH . TYR A 1 64 ? -0.976 -9.002 -5.689 1.00 48.74 64 A 1 ATOM 525 N N . ASN A 1 65 ? 1.120 -4.007 -12.481 1.00 74.03 65 A 1 ATOM 526 C CA . ASN A 1 65 ? 1.704 -3.418 -13.687 1.00 75.87 65 A 1 ATOM 527 C C . ASN A 1 65 ? 2.146 -1.968 -13.458 1.00 76.73 65 A 1 ATOM 528 O O . ASN A 1 65 ? 3.169 -1.555 -13.996 1.00 77.21 65 A 1 ATOM 529 C CB . ASN A 1 65 ? 0.698 -3.529 -14.840 1.00 77.19 65 A 1 ATOM 530 C CG . ASN A 1 65 ? 0.491 -4.960 -15.306 1.00 77.93 65 A 1 ATOM 531 O OD1 . ASN A 1 65 ? 1.324 -5.835 -15.172 1.00 74.12 65 A 1 ATOM 532 N ND2 . ASN A 1 65 ? -0.651 -5.254 -15.876 1.00 72.88 65 A 1 ATOM 533 N N . ILE A 1 66 ? 1.435 -1.204 -12.625 1.00 76.52 66 A 1 ATOM 534 C CA . ILE A 1 66 ? 1.892 0.131 -12.214 1.00 77.06 66 A 1 ATOM 535 C C . ILE A 1 66 ? 3.196 0.023 -11.423 1.00 76.05 66 A 1 ATOM 536 O O . ILE A 1 66 ? 4.142 0.746 -11.721 1.00 75.45 66 A 1 ATOM 537 C CB . ILE A 1 66 ? 0.808 0.873 -11.410 1.00 78.23 66 A 1 ATOM 538 C CG1 . ILE A 1 66 ? -0.410 1.173 -12.307 1.00 75.92 66 A 1 ATOM 539 C CG2 . ILE A 1 66 ? 1.362 2.198 -10.852 1.00 76.12 66 A 1 ATOM 540 C CD1 . ILE A 1 66 ? -1.634 1.632 -11.516 1.00 71.47 66 A 1 ATOM 541 N N . MET A 1 67 ? 3.278 -0.899 -10.451 1.00 72.61 67 A 1 ATOM 542 C CA . MET A 1 67 ? 4.505 -1.126 -9.677 1.00 70.68 67 A 1 ATOM 543 C C . MET A 1 67 ? 5.678 -1.561 -10.554 1.00 70.88 67 A 1 ATOM 544 O O . MET A 1 67 ? 6.805 -1.133 -10.328 1.00 68.69 67 A 1 ATOM 545 C CB . MET A 1 67 ? 4.260 -2.210 -8.613 1.00 67.88 67 A 1 ATOM 546 C CG . MET A 1 67 ? 3.485 -1.691 -7.406 1.00 61.67 67 A 1 ATOM 547 S SD . MET A 1 67 ? 4.207 -0.263 -6.547 1.00 57.11 67 A 1 ATOM 548 C CE . MET A 1 67 ? 5.909 -0.776 -6.229 1.00 52.87 67 A 1 ATOM 549 N N . ASP A 1 68 ? 5.418 -2.409 -11.542 1.00 70.14 68 A 1 ATOM 550 C CA . ASP A 1 68 ? 6.419 -2.860 -12.503 1.00 69.41 68 A 1 ATOM 551 C C . ASP A 1 68 ? 6.972 -1.691 -13.328 1.00 71.06 68 A 1 ATOM 552 O O . ASP A 1 68 ? 8.188 -1.525 -13.416 1.00 70.26 68 A 1 ATOM 553 C CB . ASP A 1 68 ? 5.794 -3.926 -13.414 1.00 65.96 68 A 1 ATOM 554 C CG . ASP A 1 68 ? 5.767 -5.336 -12.819 1.00 61.65 68 A 1 ATOM 555 O OD1 . ASP A 1 68 ? 6.190 -5.539 -11.657 1.00 58.29 68 A 1 ATOM 556 O OD2 . ASP A 1 68 ? 5.455 -6.263 -13.602 1.00 56.44 68 A 1 ATOM 557 N N . LEU A 1 69 ? 6.092 -0.838 -13.862 1.00 75.60 69 A 1 ATOM 558 C CA . LEU A 1 69 ? 6.501 0.357 -14.602 1.00 76.41 69 A 1 ATOM 559 C C . LEU A 1 69 ? 7.222 1.359 -13.701 1.00 75.48 69 A 1 ATOM 560 O O . LEU A 1 69 ? 8.255 1.899 -14.089 1.00 75.01 69 A 1 ATOM 561 C CB . LEU A 1 69 ? 5.265 1.010 -15.238 1.00 78.88 69 A 1 ATOM 562 C CG . LEU A 1 69 ? 4.650 0.204 -16.395 1.00 79.11 69 A 1 ATOM 563 C CD1 . LEU A 1 69 ? 3.322 0.849 -16.787 1.00 75.66 69 A 1 ATOM 564 C CD2 . LEU A 1 69 ? 5.553 0.183 -17.632 1.00 75.57 69 A 1 ATOM 565 N N . ALA A 1 70 ? 6.722 1.573 -12.484 1.00 76.82 70 A 1 ATOM 566 C CA . ALA A 1 70 ? 7.359 2.462 -11.520 1.00 74.71 70 A 1 ATOM 567 C C . ALA A 1 70 ? 8.804 2.026 -11.246 1.00 73.15 70 A 1 ATOM 568 O O . ALA A 1 70 ? 9.709 2.862 -11.229 1.00 71.26 70 A 1 ATOM 569 C CB . ALA A 1 70 ? 6.506 2.485 -10.249 1.00 73.72 70 A 1 ATOM 570 N N . TYR A 1 71 ? 9.030 0.716 -11.111 1.00 67.69 71 A 1 ATOM 571 C CA . TYR A 1 71 ? 10.361 0.141 -10.926 1.00 65.27 71 A 1 ATOM 572 C C . TYR A 1 71 ? 11.234 0.266 -12.182 1.00 66.47 71 A 1 ATOM 573 O O . TYR A 1 71 ? 12.340 0.799 -12.105 1.00 63.51 71 A 1 ATOM 574 C CB . TYR A 1 71 ? 10.221 -1.320 -10.486 1.00 61.10 71 A 1 ATOM 575 C CG . TYR A 1 71 ? 11.562 -1.966 -10.223 1.00 55.62 71 A 1 ATOM 576 C CD1 . TYR A 1 71 ? 12.191 -2.731 -11.225 1.00 50.80 71 A 1 ATOM 577 C CD2 . TYR A 1 71 ? 12.209 -1.729 -8.996 1.00 49.57 71 A 1 ATOM 578 C CE1 . TYR A 1 71 ? 13.479 -3.252 -11.005 1.00 45.57 71 A 1 ATOM 579 C CE2 . TYR A 1 71 ? 13.499 -2.247 -8.776 1.00 44.85 71 A 1 ATOM 580 C CZ . TYR A 1 71 ? 14.139 -3.003 -9.783 1.00 45.09 71 A 1 ATOM 581 O OH . TYR A 1 71 ? 15.393 -3.476 -9.575 1.00 45.41 71 A 1 ATOM 582 N N . ASP A 1 72 ? 10.735 -0.178 -13.330 1.00 68.55 72 A 1 ATOM 583 C CA . ASP A 1 72 ? 11.497 -0.203 -14.589 1.00 68.24 72 A 1 ATOM 584 C C . ASP A 1 72 ? 11.976 1.198 -15.008 1.00 68.57 72 A 1 ATOM 585 O O . ASP A 1 72 ? 13.063 1.345 -15.571 1.00 66.75 72 A 1 ATOM 586 C CB . ASP A 1 72 ? 10.630 -0.806 -15.712 1.00 66.31 72 A 1 ATOM 587 C CG . ASP A 1 72 ? 10.406 -2.325 -15.635 1.00 63.34 72 A 1 ATOM 588 O OD1 . ASP A 1 72 ? 11.118 -3.050 -14.900 1.00 61.28 72 A 1 ATOM 589 O OD2 . ASP A 1 72 ? 9.533 -2.832 -16.380 1.00 59.50 72 A 1 ATOM 590 N N . TYR A 1 73 ? 11.183 2.219 -14.710 1.00 73.97 73 A 1 ATOM 591 C CA . TYR A 1 73 ? 11.477 3.611 -15.054 1.00 74.16 73 A 1 ATOM 592 C C . TYR A 1 73 ? 11.942 4.461 -13.862 1.00 73.63 73 A 1 ATOM 593 O O . TYR A 1 73 ? 12.167 5.658 -14.036 1.00 70.69 73 A 1 ATOM 594 C CB . TYR A 1 73 ? 10.270 4.205 -15.776 1.00 75.37 73 A 1 ATOM 595 C CG . TYR A 1 73 ? 9.965 3.552 -17.114 1.00 76.62 73 A 1 ATOM 596 C CD1 . TYR A 1 73 ? 10.762 3.853 -18.241 1.00 72.89 73 A 1 ATOM 597 C CD2 . TYR A 1 73 ? 8.899 2.644 -17.239 1.00 73.05 73 A 1 ATOM 598 C CE1 . TYR A 1 73 ? 10.482 3.255 -19.486 1.00 70.60 73 A 1 ATOM 599 C CE2 . TYR A 1 73 ? 8.619 2.041 -18.482 1.00 70.64 73 A 1 ATOM 600 C CZ . TYR A 1 73 ? 9.408 2.349 -19.607 1.00 74.49 73 A 1 ATOM 601 O OH . TYR A 1 73 ? 9.132 1.774 -20.810 1.00 72.99 73 A 1 ATOM 602 N N . ASN A 1 74 ? 12.110 3.865 -12.677 1.00 70.41 74 A 1 ATOM 603 C CA . ASN A 1 74 ? 12.595 4.527 -11.463 1.00 68.73 74 A 1 ATOM 604 C C . ASN A 1 74 ? 11.855 5.849 -11.154 1.00 69.98 74 A 1 ATOM 605 O O . ASN A 1 74 ? 12.467 6.913 -11.047 1.00 67.08 74 A 1 ATOM 606 C CB . ASN A 1 74 ? 14.125 4.667 -11.558 1.00 64.77 74 A 1 ATOM 607 C CG . ASN A 1 74 ? 14.739 5.050 -10.226 1.00 58.28 74 A 1 ATOM 608 O OD1 . ASN A 1 74 ? 14.431 4.493 -9.188 1.00 53.04 74 A 1 ATOM 609 N ND2 . ASN A 1 74 ? 15.654 5.986 -10.210 1.00 51.90 74 A 1 ATOM 610 N N . TRP A 1 75 ? 10.523 5.792 -11.064 1.00 72.97 75 A 1 ATOM 611 C CA . TRP A 1 75 ? 9.677 6.984 -10.930 1.00 72.98 75 A 1 ATOM 612 C C . TRP A 1 75 ? 9.881 7.763 -9.626 1.00 68.90 75 A 1 ATOM 613 O O . TRP A 1 75 ? 9.673 8.975 -9.608 1.00 66.19 75 A 1 ATOM 614 C CB . TRP A 1 75 ? 8.203 6.578 -11.060 1.00 76.23 75 A 1 ATOM 615 C CG . TRP A 1 75 ? 7.739 6.147 -12.412 1.00 79.11 75 A 1 ATOM 616 C CD1 . TRP A 1 75 ? 8.413 6.279 -13.582 1.00 78.98 75 A 1 ATOM 617 C CD2 . TRP A 1 75 ? 6.460 5.544 -12.766 1.00 81.49 75 A 1 ATOM 618 N NE1 . TRP A 1 75 ? 7.653 5.796 -14.621 1.00 79.40 75 A 1 ATOM 619 C CE2 . TRP A 1 75 ? 6.435 5.326 -14.174 1.00 80.99 75 A 1 ATOM 620 C CE3 . TRP A 1 75 ? 5.316 5.158 -12.036 1.00 80.70 75 A 1 ATOM 621 C CZ2 . TRP A 1 75 ? 5.337 4.750 -14.830 1.00 81.62 75 A 1 ATOM 622 C CZ3 . TRP A 1 75 ? 4.209 4.577 -12.680 1.00 80.22 75 A 1 ATOM 623 C CH2 . TRP A 1 75 ? 4.218 4.368 -14.074 1.00 79.72 75 A 1 ATOM 624 N N . PHE A 1 76 ? 10.259 7.088 -8.530 1.00 67.53 76 A 1 ATOM 625 C CA . PHE A 1 76 ? 10.456 7.706 -7.217 1.00 63.13 76 A 1 ATOM 626 C C . PHE A 1 76 ? 11.477 6.921 -6.378 1.00 60.24 76 A 1 ATOM 627 O O . PHE A 1 76 ? 11.869 5.806 -6.726 1.00 55.85 76 A 1 ATOM 628 C CB . PHE A 1 76 ? 9.093 7.857 -6.514 1.00 60.26 76 A 1 ATOM 629 C CG . PHE A 1 76 ? 8.190 6.638 -6.562 1.00 59.29 76 A 1 ATOM 630 C CD1 . PHE A 1 76 ? 7.210 6.530 -7.569 1.00 56.05 76 A 1 ATOM 631 C CD2 . PHE A 1 76 ? 8.322 5.618 -5.607 1.00 56.45 76 A 1 ATOM 632 C CE1 . PHE A 1 76 ? 6.376 5.399 -7.623 1.00 51.91 76 A 1 ATOM 633 C CE2 . PHE A 1 76 ? 7.488 4.486 -5.664 1.00 52.45 76 A 1 ATOM 634 C CZ . PHE A 1 76 ? 6.517 4.378 -6.673 1.00 52.73 76 A 1 ATOM 635 N N . ASN A 1 77 ? 11.931 7.527 -5.284 1.00 56.14 77 A 1 ATOM 636 C CA . ASN A 1 77 ? 12.909 6.915 -4.385 1.00 54.50 77 A 1 ATOM 637 C C . ASN A 1 77 ? 12.338 5.674 -3.674 1.00 53.47 77 A 1 ATOM 638 O O . ASN A 1 77 ? 11.137 5.564 -3.443 1.00 50.28 77 A 1 ATOM 639 C CB . ASN A 1 77 ? 13.395 7.961 -3.368 1.00 50.90 77 A 1 ATOM 640 C CG . ASN A 1 77 ? 14.198 9.080 -3.999 1.00 47.02 77 A 1 ATOM 641 O OD1 . ASN A 1 77 ? 14.985 8.873 -4.907 1.00 44.32 77 A 1 ATOM 642 N ND2 . ASN A 1 77 ? 14.029 10.297 -3.531 1.00 43.66 77 A 1 ATOM 643 N N . HIS A 1 78 ? 13.218 4.747 -3.277 1.00 48.08 78 A 1 ATOM 644 C CA . HIS A 1 78 ? 12.835 3.434 -2.735 1.00 47.93 78 A 1 ATOM 645 C C . HIS A 1 78 ? 11.982 3.489 -1.456 1.00 48.87 78 A 1 ATOM 646 O O . HIS A 1 78 ? 11.160 2.601 -1.250 1.00 45.82 78 A 1 ATOM 647 C CB . HIS A 1 78 ? 14.103 2.598 -2.527 1.00 43.18 78 A 1 ATOM 648 C CG . HIS A 1 78 ? 14.772 2.224 -3.834 1.00 40.02 78 A 1 ATOM 649 N ND1 . HIS A 1 78 ? 14.180 1.563 -4.884 1.00 37.02 78 A 1 ATOM 650 C CD2 . HIS A 1 78 ? 16.064 2.486 -4.205 1.00 36.41 78 A 1 ATOM 651 C CE1 . HIS A 1 78 ? 15.085 1.436 -5.869 1.00 34.21 78 A 1 ATOM 652 N NE2 . HIS A 1 78 ? 16.257 1.978 -5.499 1.00 34.12 78 A 1 ATOM 653 N N . ASP A 1 79 ? 12.116 4.546 -0.660 1.00 49.76 79 A 1 ATOM 654 C CA . ASP A 1 79 ? 11.382 4.712 0.602 1.00 50.32 79 A 1 ATOM 655 C C . ASP A 1 79 ? 10.124 5.589 0.462 1.00 51.52 79 A 1 ATOM 656 O O . ASP A 1 79 ? 9.427 5.854 1.439 1.00 48.84 79 A 1 ATOM 657 C CB . ASP A 1 79 ? 12.350 5.258 1.662 1.00 46.35 79 A 1 ATOM 658 C CG . ASP A 1 79 ? 13.604 4.388 1.797 1.00 42.62 79 A 1 ATOM 659 O OD1 . ASP A 1 79 ? 13.468 3.145 1.778 1.00 39.62 79 A 1 ATOM 660 O OD2 . ASP A 1 79 ? 14.705 4.981 1.834 1.00 39.13 79 A 1 ATOM 661 N N . THR A 1 80 ? 9.814 6.038 -0.755 1.00 55.43 80 A 1 ATOM 662 C CA . THR A 1 80 ? 8.704 6.962 -1.001 1.00 56.80 80 A 1 ATOM 663 C C . THR A 1 80 ? 7.398 6.203 -1.227 1.00 58.02 80 A 1 ATOM 664 O O . THR A 1 80 ? 7.285 5.363 -2.124 1.00 56.05 80 A 1 ATOM 665 C CB . THR A 1 80 ? 9.014 7.905 -2.177 1.00 54.04 80 A 1 ATOM 666 O OG1 . THR A 1 80 ? 10.237 8.580 -1.966 1.00 49.78 80 A 1 ATOM 667 C CG2 . THR A 1 80 ? 7.960 8.992 -2.348 1.00 49.56 80 A 1 ATOM 668 N N . LEU A 1 81 ? 6.382 6.538 -0.434 1.00 56.73 81 A 1 ATOM 669 C CA . LEU A 1 81 ? 4.990 6.209 -0.736 1.00 57.89 81 A 1 ATOM 670 C C . LEU A 1 81 ? 4.471 7.189 -1.794 1.00 60.25 81 A 1 ATOM 671 O O . LEU A 1 81 ? 4.630 8.400 -1.641 1.00 57.89 81 A 1 ATOM 672 C CB . LEU A 1 81 ? 4.164 6.277 0.562 1.00 53.79 81 A 1 ATOM 673 C CG . LEU A 1 81 ? 2.684 5.880 0.401 1.00 48.92 81 A 1 ATOM 674 C CD1 . LEU A 1 81 ? 2.532 4.391 0.102 1.00 44.76 81 A 1 ATOM 675 C CD2 . LEU A 1 81 ? 1.925 6.180 1.693 1.00 45.20 81 A 1 ATOM 676 N N . ALA A 1 82 ? 3.837 6.689 -2.840 1.00 64.16 82 A 1 ATOM 677 C CA . ALA A 1 82 ? 3.214 7.510 -3.866 1.00 65.15 82 A 1 ATOM 678 C C . ALA A 1 82 ? 1.723 7.192 -3.998 1.00 65.42 82 A 1 ATOM 679 O O . ALA A 1 82 ? 1.330 6.036 -4.162 1.00 63.17 82 A 1 ATOM 680 C CB . ALA A 1 82 ? 3.984 7.363 -5.182 1.00 63.51 82 A 1 ATOM 681 N N . HIS A 1 83 ? 0.897 8.238 -3.939 1.00 63.05 83 A 1 ATOM 682 C CA . HIS A 1 83 ? -0.551 8.144 -4.035 1.00 64.57 83 A 1 ATOM 683 C C . HIS A 1 83 ? -1.008 8.238 -5.491 1.00 65.36 83 A 1 ATOM 684 O O . HIS A 1 83 ? -0.540 9.098 -6.237 1.00 65.36 83 A 1 ATOM 685 C CB . HIS A 1 83 ? -1.178 9.253 -3.187 1.00 62.50 83 A 1 ATOM 686 C CG . HIS A 1 83 ? -2.678 9.148 -3.149 1.00 56.67 83 A 1 ATOM 687 N ND1 . HIS A 1 83 ? -3.379 8.137 -2.547 1.00 49.97 83 A 1 ATOM 688 C CD2 . HIS A 1 83 ? -3.593 9.982 -3.736 1.00 48.61 83 A 1 ATOM 689 C CE1 . HIS A 1 83 ? -4.684 8.352 -2.761 1.00 45.10 83 A 1 ATOM 690 N NE2 . HIS A 1 83 ? -4.870 9.471 -3.483 1.00 45.80 83 A 1 ATOM 691 N N . ILE A 1 84 ? -1.959 7.387 -5.891 1.00 66.08 84 A 1 ATOM 692 C CA . ILE A 1 84 ? -2.580 7.441 -7.220 1.00 65.34 84 A 1 ATOM 693 C C . ILE A 1 84 ? -3.946 8.116 -7.107 1.00 64.66 84 A 1 ATOM 694 O O . ILE A 1 84 ? -4.936 7.517 -6.672 1.00 62.67 84 A 1 ATOM 695 C CB . ILE A 1 84 ? -2.666 6.057 -7.894 1.00 63.97 84 A 1 ATOM 696 C CG1 . ILE A 1 84 ? -1.288 5.356 -7.875 1.00 60.42 84 A 1 ATOM 697 C CG2 . ILE A 1 84 ? -3.186 6.236 -9.337 1.00 61.48 84 A 1 ATOM 698 C CD1 . ILE A 1 84 ? -1.258 4.009 -8.592 1.00 58.18 84 A 1 ATOM 699 N N . GLU A 1 85 ? -4.016 9.366 -7.552 1.00 61.44 85 A 1 ATOM 700 C CA . GLU A 1 85 ? -5.245 10.152 -7.507 1.00 62.21 85 A 1 ATOM 701 C C . GLU A 1 85 ? -6.382 9.491 -8.296 1.00 59.76 85 A 1 ATOM 702 O O . GLU A 1 85 ? -6.240 9.105 -9.458 1.00 57.54 85 A 1 ATOM 703 C CB . GLU A 1 85 ? -5.019 11.577 -8.030 1.00 61.99 85 A 1 ATOM 704 C CG . GLU A 1 85 ? -4.094 12.427 -7.141 1.00 56.19 85 A 1 ATOM 705 C CD . GLU A 1 85 ? -4.001 13.889 -7.625 1.00 52.67 85 A 1 ATOM 706 O OE1 . GLU A 1 85 ? -3.462 14.721 -6.874 1.00 49.39 85 A 1 ATOM 707 O OE2 . GLU A 1 85 ? -4.467 14.185 -8.758 1.00 51.62 85 A 1 ATOM 708 N N . GLY A 1 86 ? -7.556 9.388 -7.666 1.00 57.33 86 A 1 ATOM 709 C CA . GLY A 1 86 ? -8.781 8.881 -8.292 1.00 55.60 86 A 1 ATOM 710 C C . GLY A 1 86 ? -8.897 7.357 -8.374 1.00 54.60 86 A 1 ATOM 711 O O . GLY A 1 86 ? -9.923 6.878 -8.856 1.00 52.57 86 A 1 ATOM 712 N N . VAL A 1 87 ? -7.912 6.609 -7.893 1.00 56.12 87 A 1 ATOM 713 C CA . VAL A 1 87 ? -7.936 5.133 -7.843 1.00 55.14 87 A 1 ATOM 714 C C . VAL A 1 87 ? -8.082 4.607 -6.409 1.00 52.95 87 A 1 ATOM 715 O O . VAL A 1 87 ? -8.661 3.543 -6.210 1.00 50.08 87 A 1 ATOM 716 C CB . VAL A 1 87 ? -6.707 4.537 -8.556 1.00 53.65 87 A 1 ATOM 717 C CG1 . VAL A 1 87 ? -6.834 3.017 -8.717 1.00 48.97 87 A 1 ATOM 718 C CG2 . VAL A 1 87 ? -6.535 5.107 -9.967 1.00 51.52 87 A 1 ATOM 719 N N . GLY A 1 88 ? -7.628 5.361 -5.410 1.00 47.55 88 A 1 ATOM 720 C CA . GLY A 1 88 ? -7.812 5.008 -3.996 1.00 47.02 88 A 1 ATOM 721 C C . GLY A 1 88 ? -6.848 3.938 -3.482 1.00 48.10 88 A 1 ATOM 722 O O . GLY A 1 88 ? -7.186 3.200 -2.560 1.00 46.27 88 A 1 ATOM 723 N N . PHE A 1 89 ? -5.667 3.821 -4.087 1.00 49.11 89 A 1 ATOM 724 C CA . PHE A 1 89 ? -4.575 3.011 -3.555 1.00 50.48 89 A 1 ATOM 725 C C . PHE A 1 89 ? -3.221 3.694 -3.751 1.00 51.55 89 A 1 ATOM 726 O O . PHE A 1 89 ? -3.022 4.468 -4.689 1.00 49.75 89 A 1 ATOM 727 C CB . PHE A 1 89 ? -4.590 1.595 -4.148 1.00 48.08 89 A 1 ATOM 728 C CG . PHE A 1 89 ? -4.309 1.493 -5.638 1.00 45.46 89 A 1 ATOM 729 C CD1 . PHE A 1 89 ? -5.377 1.409 -6.554 1.00 42.77 89 A 1 ATOM 730 C CD2 . PHE A 1 89 ? -2.989 1.431 -6.110 1.00 43.44 89 A 1 ATOM 731 C CE1 . PHE A 1 89 ? -5.122 1.258 -7.928 1.00 39.76 89 A 1 ATOM 732 C CE2 . PHE A 1 89 ? -2.732 1.280 -7.488 1.00 41.53 89 A 1 ATOM 733 C CZ . PHE A 1 89 ? -3.801 1.192 -8.396 1.00 39.91 89 A 1 ATOM 734 N N . ASP A 1 90 ? -2.291 3.343 -2.863 1.00 49.10 90 A 1 ATOM 735 C CA . ASP A 1 90 ? -0.923 3.839 -2.874 1.00 53.33 90 A 1 ATOM 736 C C . ASP A 1 90 ? 0.033 2.769 -3.400 1.00 53.31 90 A 1 ATOM 737 O O . ASP A 1 90 ? -0.224 1.563 -3.321 1.00 53.62 90 A 1 ATOM 738 C CB . ASP A 1 90 ? -0.527 4.303 -1.472 1.00 52.71 90 A 1 ATOM 739 C CG . ASP A 1 90 ? -1.402 5.442 -0.947 1.00 49.18 90 A 1 ATOM 740 O OD1 . ASP A 1 90 ? -1.915 6.224 -1.778 1.00 47.93 90 A 1 ATOM 741 O OD2 . ASP A 1 90 ? -1.562 5.503 0.285 1.00 48.33 90 A 1 ATOM 742 N N . ILE A 1 91 ? 1.166 3.214 -3.934 1.00 56.62 91 A 1 ATOM 743 C CA . ILE A 1 91 ? 2.278 2.368 -4.366 1.00 58.30 91 A 1 ATOM 744 C C . ILE A 1 91 ? 3.550 2.756 -3.615 1.00 59.25 91 A 1 ATOM 745 O O . ILE A 1 91 ? 3.759 3.919 -3.278 1.00 57.80 91 A 1 ATOM 746 C CB . ILE A 1 91 ? 2.460 2.387 -5.899 1.00 56.48 91 A 1 ATOM 747 C CG1 . ILE A 1 91 ? 2.779 3.789 -6.458 1.00 53.16 91 A 1 ATOM 748 C CG2 . ILE A 1 91 ? 1.220 1.793 -6.581 1.00 53.84 91 A 1 ATOM 749 C CD1 . ILE A 1 91 ? 3.149 3.786 -7.950 1.00 51.26 91 A 1 ATOM 750 N N . SER A 1 92 ? 4.403 1.779 -3.343 1.00 56.68 92 A 1 ATOM 751 C CA . SER A 1 92 ? 5.662 1.998 -2.635 1.00 57.53 92 A 1 ATOM 752 C C . SER A 1 92 ? 6.700 0.954 -3.025 1.00 57.03 92 A 1 ATOM 753 O O . SER A 1 92 ? 6.370 -0.204 -3.291 1.00 55.33 92 A 1 ATOM 754 C CB . SER A 1 92 ? 5.434 1.958 -1.126 1.00 55.69 92 A 1 ATOM 755 O OG . SER A 1 92 ? 6.640 2.229 -0.445 1.00 49.82 92 A 1 ATOM 756 N N . TYR A 1 93 ? 7.976 1.352 -2.995 1.00 54.71 93 A 1 ATOM 757 C CA . TYR A 1 93 ? 9.115 0.441 -3.090 1.00 55.31 93 A 1 ATOM 758 C C . TYR A 1 93 ? 9.551 -0.134 -1.738 1.00 56.16 93 A 1 ATOM 759 O O . TYR A 1 93 ? 10.573 -0.813 -1.691 1.00 53.42 93 A 1 ATOM 760 C CB . TYR A 1 93 ? 10.289 1.151 -3.766 1.00 51.77 93 A 1 ATOM 761 C CG . TYR A 1 93 ? 10.063 1.568 -5.202 1.00 49.01 93 A 1 ATOM 762 C CD1 . TYR A 1 93 ? 9.581 0.649 -6.154 1.00 46.76 93 A 1 ATOM 763 C CD2 . TYR A 1 93 ? 10.406 2.876 -5.588 1.00 45.77 93 A 1 ATOM 764 C CE1 . TYR A 1 93 ? 9.452 1.037 -7.498 1.00 43.60 93 A 1 ATOM 765 C CE2 . TYR A 1 93 ? 10.280 3.266 -6.926 1.00 43.90 93 A 1 ATOM 766 C CZ . TYR A 1 93 ? 9.810 2.349 -7.883 1.00 42.84 93 A 1 ATOM 767 O OH . TYR A 1 93 ? 9.717 2.735 -9.172 1.00 41.75 93 A 1 ATOM 768 N N . SER A 1 94 ? 8.803 0.113 -0.665 1.00 61.43 94 A 1 ATOM 769 C CA . SER A 1 94 ? 9.129 -0.400 0.668 1.00 63.20 94 A 1 ATOM 770 C C . SER A 1 94 ? 9.458 -1.896 0.638 1.00 65.38 94 A 1 ATOM 771 O O . SER A 1 94 ? 8.811 -2.684 -0.068 1.00 63.24 94 A 1 ATOM 772 C CB . SER A 1 94 ? 7.980 -0.155 1.642 1.00 59.46 94 A 1 ATOM 773 O OG . SER A 1 94 ? 8.277 -0.692 2.913 1.00 53.01 94 A 1 ATOM 774 N N . SER A 1 95 ? 10.434 -2.286 1.455 1.00 67.73 95 A 1 ATOM 775 C CA . SER A 1 95 ? 10.816 -3.685 1.661 1.00 70.24 95 A 1 ATOM 776 C C . SER A 1 95 ? 9.636 -4.535 2.125 1.00 73.56 95 A 1 ATOM 777 O O . SER A 1 95 ? 9.554 -5.707 1.762 1.00 71.65 95 A 1 ATOM 778 C CB . SER A 1 95 ? 11.909 -3.779 2.720 1.00 66.33 95 A 1 ATOM 779 O OG . SER A 1 95 ? 13.052 -3.040 2.386 1.00 59.49 95 A 1 ATOM 780 N N . TYR A 1 96 ? 8.716 -3.949 2.889 1.00 73.54 96 A 1 ATOM 781 C CA . TYR A 1 96 ? 7.550 -4.641 3.431 1.00 75.16 96 A 1 ATOM 782 C C . TYR A 1 96 ? 6.249 -3.898 3.132 1.00 74.72 96 A 1 ATOM 783 O O . TYR A 1 96 ? 6.138 -2.686 3.300 1.00 72.80 96 A 1 ATOM 784 C CB . TYR A 1 96 ? 7.726 -4.865 4.929 1.00 75.11 96 A 1 ATOM 785 C CG . TYR A 1 96 ? 8.915 -5.739 5.274 1.00 75.93 96 A 1 ATOM 786 C CD1 . TYR A 1 96 ? 8.781 -7.141 5.314 1.00 72.79 96 A 1 ATOM 787 C CD2 . TYR A 1 96 ? 10.167 -5.148 5.544 1.00 73.98 96 A 1 ATOM 788 C CE1 . TYR A 1 96 ? 9.885 -7.949 5.639 1.00 72.04 96 A 1 ATOM 789 C CE2 . TYR A 1 96 ? 11.275 -5.955 5.863 1.00 72.64 96 A 1 ATOM 790 C CZ . TYR A 1 96 ? 11.132 -7.356 5.917 1.00 76.51 96 A 1 ATOM 791 O OH . TYR A 1 96 ? 12.198 -8.131 6.238 1.00 74.43 96 A 1 ATOM 792 N N . SER A 1 97 ? 5.239 -4.649 2.714 1.00 74.05 97 A 1 ATOM 793 C CA . SER A 1 97 ? 3.903 -4.118 2.445 1.00 74.85 97 A 1 ATOM 794 C C . SER A 1 97 ? 2.815 -5.005 3.037 1.00 76.10 97 A 1 ATOM 795 O O . SER A 1 97 ? 2.937 -6.230 3.045 1.00 75.90 97 A 1 ATOM 796 C CB . SER A 1 97 ? 3.689 -3.921 0.942 1.00 72.77 97 A 1 ATOM 797 O OG . SER A 1 97 ? 3.846 -5.137 0.229 1.00 66.00 97 A 1 ATOM 798 N N . LEU A 1 98 ? 1.730 -4.389 3.485 1.00 78.91 98 A 1 ATOM 799 C CA . LEU A 1 98 ? 0.480 -5.043 3.851 1.00 79.28 98 A 1 ATOM 800 C C . LEU A 1 98 ? -0.539 -4.785 2.741 1.00 77.48 98 A 1 ATOM 801 O O . LEU A 1 98 ? -0.866 -3.635 2.466 1.00 76.31 98 A 1 ATOM 802 C CB . LEU A 1 98 ? 0.010 -4.489 5.205 1.00 80.66 98 A 1 ATOM 803 C CG . LEU A 1 98 ? -1.255 -5.172 5.743 1.00 80.61 98 A 1 ATOM 804 C CD1 . LEU A 1 98 ? -0.952 -6.566 6.278 1.00 76.17 98 A 1 ATOM 805 C CD2 . LEU A 1 98 ? -1.854 -4.354 6.882 1.00 78.55 98 A 1 ATOM 806 N N . CYS A 1 99 ? -1.044 -5.826 2.101 1.00 76.07 99 A 1 ATOM 807 C CA . CYS A 1 99 ? -2.011 -5.684 1.012 1.00 73.87 99 A 1 ATOM 808 C C . CYS A 1 99 ? -3.097 -6.771 1.052 1.00 73.52 99 A 1 ATOM 809 O O . CYS A 1 99 ? -2.838 -7.887 1.520 1.00 71.30 99 A 1 ATOM 810 C CB . CYS A 1 99 ? -1.269 -5.638 -0.333 1.00 71.08 99 A 1 ATOM 811 S SG . CYS A 1 99 ? -0.303 -7.150 -0.649 1.00 62.72 99 A 1 ATOM 812 N N . PRO A 1 100 ? -4.312 -6.492 0.535 1.00 72.79 100 A 1 ATOM 813 C CA . PRO A 1 100 ? -5.340 -7.508 0.366 1.00 70.82 100 A 1 ATOM 814 C C . PRO A 1 100 ? -4.841 -8.684 -0.482 1.00 68.88 100 A 1 ATOM 815 O O . PRO A 1 100 ? -4.113 -8.506 -1.459 1.00 65.18 100 A 1 ATOM 816 C CB . PRO A 1 100 ? -6.530 -6.803 -0.293 1.00 69.24 100 A 1 ATOM 817 C CG . PRO A 1 100 ? -6.327 -5.340 0.080 1.00 67.71 100 A 1 ATOM 818 C CD . PRO A 1 100 ? -4.809 -5.197 0.101 1.00 71.93 100 A 1 ATOM 819 N N . MET A 1 101 ? -5.250 -9.915 -0.150 1.00 62.66 101 A 1 ATOM 820 C CA . MET A 1 101 ? -4.998 -11.053 -1.040 1.00 60.14 101 A 1 ATOM 821 C C . MET A 1 101 ? -5.742 -10.870 -2.363 1.00 58.56 101 A 1 ATOM 822 O O . MET A 1 101 ? -6.905 -10.488 -2.376 1.00 53.90 101 A 1 ATOM 823 C CB . MET A 1 101 ? -5.337 -12.388 -0.361 1.00 56.43 101 A 1 ATOM 824 C CG . MET A 1 101 ? -4.067 -13.141 0.021 1.00 50.44 101 A 1 ATOM 825 S SD . MET A 1 101 ? -4.294 -14.760 0.803 1.00 47.11 101 A 1 ATOM 826 C CE . MET A 1 101 ? -5.083 -15.710 -0.513 1.00 43.26 101 A 1 ATOM 827 N N . SER A 1 102 ? -5.087 -11.177 -3.477 1.00 45.56 102 A 1 ATOM 828 C CA . SER A 1 102 ? -5.452 -10.810 -4.862 1.00 44.70 102 A 1 ATOM 829 C C . SER A 1 102 ? -6.823 -11.278 -5.379 1.00 44.91 102 A 1 ATOM 830 O O . SER A 1 102 ? -7.106 -11.135 -6.569 1.00 41.94 102 A 1 ATOM 831 C CB . SER A 1 102 ? -4.355 -11.312 -5.809 1.00 39.97 102 A 1 ATOM 832 O OG . SER A 1 102 ? -4.288 -12.728 -5.786 1.00 35.70 102 A 1 ATOM 833 N N . ARG A 1 103 ? -7.666 -11.864 -4.550 1.00 40.64 103 A 1 ATOM 834 C CA . ARG A 1 103 ? -9.040 -12.280 -4.881 1.00 40.07 103 A 1 ATOM 835 C C . ARG A 1 103 ? -10.118 -11.580 -4.049 1.00 39.98 103 A 1 ATOM 836 O O . ARG A 1 103 ? -11.285 -11.736 -4.374 1.00 37.95 103 A 1 ATOM 837 C CB . ARG A 1 103 ? -9.161 -13.806 -4.780 1.00 35.63 103 A 1 ATOM 838 C CG . ARG A 1 103 ? -8.312 -14.527 -5.833 1.00 31.71 103 A 1 ATOM 839 C CD . ARG A 1 103 ? -8.583 -16.030 -5.778 1.00 29.53 103 A 1 ATOM 840 N NE . ARG A 1 103 ? -7.773 -16.763 -6.769 1.00 27.04 103 A 1 ATOM 841 C CZ . ARG A 1 103 ? -7.755 -18.075 -6.940 1.00 25.09 103 A 1 ATOM 842 N NH1 . ARG A 1 103 ? -8.490 -18.873 -6.215 1.00 24.51 103 A 1 ATOM 843 N NH2 . ARG A 1 103 ? -6.989 -18.610 -7.845 1.00 24.10 103 A 1 ATOM 844 N N . ALA A 1 104 ? -9.752 -10.830 -3.024 1.00 41.70 104 A 1 ATOM 845 C CA . ALA A 1 104 ? -10.682 -10.001 -2.269 1.00 41.36 104 A 1 ATOM 846 C C . ALA A 1 104 ? -10.726 -8.605 -2.913 1.00 40.89 104 A 1 ATOM 847 O O . ALA A 1 104 ? -9.933 -7.728 -2.587 1.00 38.84 104 A 1 ATOM 848 C CB . ALA A 1 104 ? -10.261 -9.999 -0.797 1.00 38.63 104 A 1 ATOM 849 N N . HIS A 1 105 ? -11.608 -8.429 -3.895 1.00 39.56 105 A 1 ATOM 850 C CA . HIS A 1 105 ? -11.854 -7.121 -4.486 1.00 40.17 105 A 1 ATOM 851 C C . HIS A 1 105 ? -12.846 -6.345 -3.610 1.00 40.40 105 A 1 ATOM 852 O O . HIS A 1 105 ? -13.968 -6.799 -3.415 1.00 38.47 105 A 1 ATOM 853 C CB . HIS A 1 105 ? -12.368 -7.280 -5.927 1.00 36.90 105 A 1 ATOM 854 C CG . HIS A 1 105 ? -11.339 -7.835 -6.888 1.00 34.21 105 A 1 ATOM 855 N ND1 . HIS A 1 105 ? -10.169 -7.219 -7.271 1.00 31.35 105 A 1 ATOM 856 C CD2 . HIS A 1 105 ? -11.398 -9.031 -7.554 1.00 30.65 105 A 1 ATOM 857 C CE1 . HIS A 1 105 ? -9.539 -8.021 -8.145 1.00 28.63 105 A 1 ATOM 858 N NE2 . HIS A 1 105 ? -10.251 -9.139 -8.352 1.00 28.80 105 A 1 ATOM 859 N N . GLY A 1 106 ? -12.450 -5.168 -3.133 1.00 43.36 106 A 1 ATOM 860 C CA . GLY A 1 106 ? -13.366 -4.218 -2.495 1.00 44.29 106 A 1 ATOM 861 C C . GLY A 1 106 ? -13.173 -4.045 -0.983 1.00 45.79 106 A 1 ATOM 862 O O . GLY A 1 106 ? -12.255 -4.599 -0.384 1.00 44.16 106 A 1 ATOM 863 N N . LYS A 1 107 ? -14.059 -3.252 -0.377 1.00 47.23 107 A 1 ATOM 864 C CA . LYS A 1 107 ? -14.044 -2.849 1.044 1.00 48.14 107 A 1 ATOM 865 C C . LYS A 1 107 ? -14.226 -4.006 2.043 1.00 49.24 107 A 1 ATOM 866 O O . LYS A 1 107 ? -14.102 -3.792 3.239 1.00 46.45 107 A 1 ATOM 867 C CB . LYS A 1 107 ? -15.102 -1.754 1.283 1.00 44.54 107 A 1 ATOM 868 C CG . LYS A 1 107 ? -14.784 -0.437 0.553 1.00 40.19 107 A 1 ATOM 869 C CD . LYS A 1 107 ? -15.765 0.679 0.954 1.00 37.46 107 A 1 ATOM 870 C CE . LYS A 1 107 ? -15.321 2.007 0.333 1.00 35.11 107 A 1 ATOM 871 N NZ . LYS A 1 107 ? -16.054 3.170 0.897 1.00 31.58 107 A 1 ATOM 872 N N . ASP A 1 108 ? -14.473 -5.221 1.554 1.00 51.84 108 A 1 ATOM 873 C CA . ASP A 1 108 ? -14.745 -6.424 2.353 1.00 54.07 108 A 1 ATOM 874 C C . ASP A 1 108 ? -13.523 -7.358 2.474 1.00 55.69 108 A 1 ATOM 875 O O . ASP A 1 108 ? -13.664 -8.563 2.686 1.00 52.89 108 A 1 ATOM 876 C CB . ASP A 1 108 ? -15.967 -7.160 1.772 1.00 50.84 108 A 1 ATOM 877 C CG . ASP A 1 108 ? -17.238 -6.309 1.726 1.00 46.24 108 A 1 ATOM 878 O OD1 . ASP A 1 108 ? -17.434 -5.480 2.642 1.00 42.58 108 A 1 ATOM 879 O OD2 . ASP A 1 108 ? -17.999 -6.484 0.751 1.00 42.16 108 A 1 ATOM 880 N N . ALA A 1 109 ? -12.306 -6.837 2.295 1.00 58.53 109 A 1 ATOM 881 C CA . ALA A 1 109 ? -11.095 -7.634 2.454 1.00 58.84 109 A 1 ATOM 882 C C . ALA A 1 109 ? -10.950 -8.097 3.912 1.00 63.77 109 A 1 ATOM 883 O O . ALA A 1 109 ? -10.446 -7.370 4.762 1.00 58.56 109 A 1 ATOM 884 C CB . ALA A 1 109 ? -9.880 -6.836 1.963 1.00 52.71 109 A 1 ATOM 885 N N . SER A 1 110 ? -11.346 -9.337 4.188 1.00 72.27 110 A 1 ATOM 886 C CA . SER A 1 110 ? -11.227 -9.963 5.514 1.00 74.48 110 A 1 ATOM 887 C C . SER A 1 110 ? -9.827 -10.506 5.815 1.00 79.07 110 A 1 ATOM 888 O O . SER A 1 110 ? -9.587 -11.023 6.903 1.00 76.48 110 A 1 ATOM 889 C CB . SER A 1 110 ? -12.276 -11.072 5.644 1.00 68.39 110 A 1 ATOM 890 O OG . SER A 1 110 ? -12.113 -12.043 4.624 1.00 59.31 110 A 1 ATOM 891 N N . TYR A 1 111 ? -8.906 -10.440 4.849 1.00 77.10 111 A 1 ATOM 892 C CA . TYR A 1 111 ? -7.543 -10.934 5.005 1.00 77.86 111 A 1 ATOM 893 C C . TYR A 1 111 ? -6.532 -10.055 4.270 1.00 78.13 111 A 1 ATOM 894 O O . TYR A 1 111 ? -6.609 -9.881 3.049 1.00 76.71 111 A 1 ATOM 895 C CB . TYR A 1 111 ? -7.457 -12.384 4.530 1.00 76.62 111 A 1 ATOM 896 C CG . TYR A 1 111 ? -6.104 -13.023 4.793 1.00 74.84 111 A 1 ATOM 897 C CD1 . TYR A 1 111 ? -5.147 -13.126 3.764 1.00 69.58 111 A 1 ATOM 898 C CD2 . TYR A 1 111 ? -5.806 -13.515 6.078 1.00 68.54 111 A 1 ATOM 899 C CE1 . TYR A 1 111 ? -3.911 -13.753 4.014 1.00 66.08 111 A 1 ATOM 900 C CE2 . TYR A 1 111 ? -4.571 -14.142 6.328 1.00 65.52 111 A 1 ATOM 901 C CZ . TYR A 1 111 ? -3.628 -14.275 5.292 1.00 68.13 111 A 1 ATOM 902 O OH . TYR A 1 111 ? -2.453 -14.920 5.521 1.00 67.30 111 A 1 ATOM 903 N N . LEU A 1 112 ? -5.562 -9.553 5.010 1.00 82.09 112 A 1 ATOM 904 C CA . LEU A 1 112 ? -4.439 -8.767 4.514 1.00 82.46 112 A 1 ATOM 905 C C . LEU A 1 112 ? -3.156 -9.590 4.648 1.00 82.35 112 A 1 ATOM 906 O O . LEU A 1 112 ? -2.911 -10.204 5.680 1.00 81.67 112 A 1 ATOM 907 C CB . LEU A 1 112 ? -4.344 -7.437 5.285 1.00 81.99 112 A 1 ATOM 908 C CG . LEU A 1 112 ? -5.627 -6.584 5.343 1.00 80.66 112 A 1 ATOM 909 C CD1 . LEU A 1 112 ? -5.374 -5.314 6.150 1.00 75.57 112 A 1 ATOM 910 C CD2 . LEU A 1 112 ? -6.102 -6.168 3.954 1.00 75.35 112 A 1 ATOM 911 N N . SER A 1 113 ? -2.321 -9.615 3.614 1.00 80.20 113 A 1 ATOM 912 C CA . SER A 1 113 ? -1.045 -10.331 3.628 1.00 79.32 113 A 1 ATOM 913 C C . SER A 1 113 ? 0.122 -9.368 3.807 1.00 79.92 113 A 1 ATOM 914 O O . SER A 1 113 ? 0.231 -8.401 3.050 1.00 79.57 113 A 1 ATOM 915 C CB . SER A 1 113 ? -0.872 -11.178 2.365 1.00 76.60 113 A 1 ATOM 916 O OG . SER A 1 113 ? -0.813 -10.383 1.191 1.00 66.75 113 A 1 ATOM 917 N N . ILE A 1 114 ? 1.025 -9.684 4.735 1.00 80.28 114 A 1 ATOM 918 C CA . ILE A 1 114 ? 2.336 -9.043 4.856 1.00 81.48 114 A 1 ATOM 919 C C . ILE A 1 114 ? 3.281 -9.724 3.869 1.00 80.34 114 A 1 ATOM 920 O O . ILE A 1 114 ? 3.443 -10.947 3.870 1.00 79.17 114 A 1 ATOM 921 C CB . ILE A 1 114 ? 2.872 -9.083 6.304 1.00 82.64 114 A 1 ATOM 922 C CG1 . ILE A 1 114 ? 1.876 -8.389 7.261 1.00 81.71 114 A 1 ATOM 923 C CG2 . ILE A 1 114 ? 4.253 -8.399 6.376 1.00 81.73 114 A 1 ATOM 924 C CD1 . ILE A 1 114 ? 2.259 -8.455 8.740 1.00 76.67 114 A 1 ATOM 925 N N . ARG A 1 115 ? 3.895 -8.927 3.003 1.00 78.67 115 A 1 ATOM 926 C CA . ARG A 1 115 ? 4.799 -9.392 1.947 1.00 76.46 115 A 1 ATOM 927 C C . ARG A 1 115 ? 6.119 -8.645 2.012 1.00 76.49 115 A 1 ATOM 928 O O . ARG A 1 115 ? 6.125 -7.434 2.169 1.00 74.58 115 A 1 ATOM 929 C CB . ARG A 1 115 ? 4.149 -9.200 0.574 1.00 73.77 115 A 1 ATOM 930 C CG . ARG A 1 115 ? 2.935 -10.112 0.391 1.00 67.39 115 A 1 ATOM 931 C CD . ARG A 1 115 ? 2.324 -9.886 -0.985 1.00 65.40 115 A 1 ATOM 932 N NE . ARG A 1 115 ? 1.209 -10.820 -1.221 1.00 60.95 115 A 1 ATOM 933 C CZ . ARG A 1 115 ? 1.200 -11.854 -2.033 1.00 55.93 115 A 1 ATOM 934 N NH1 . ARG A 1 115 ? 2.224 -12.172 -2.779 1.00 52.03 115 A 1 ATOM 935 N NH2 . ARG A 1 115 ? 0.133 -12.591 -2.113 1.00 49.68 115 A 1 ATOM 936 N N . LYS A 1 116 ? 7.205 -9.369 1.819 1.00 78.09 116 A 1 ATOM 937 C CA . LYS A 1 116 ? 8.562 -8.835 1.684 1.00 77.21 116 A 1 ATOM 938 C C . LYS A 1 116 ? 8.963 -8.804 0.216 1.00 75.79 116 A 1 ATOM 939 O O . LYS A 1 116 ? 8.803 -9.801 -0.487 1.00 73.62 116 A 1 ATOM 940 C CB . LYS A 1 116 ? 9.519 -9.695 2.517 1.00 76.42 116 A 1 ATOM 941 C CG . LYS A 1 116 ? 10.949 -9.154 2.487 1.00 73.47 116 A 1 ATOM 942 C CD . LYS A 1 116 ? 11.860 -9.985 3.390 1.00 73.07 116 A 1 ATOM 943 C CE . LYS A 1 116 ? 13.237 -9.318 3.461 1.00 67.26 116 A 1 ATOM 944 N NZ . LYS A 1 116 ? 14.062 -9.905 4.541 1.00 62.00 116 A 1 ATOM 945 N N . ARG A 1 117 ? 9.518 -7.689 -0.258 1.00 68.76 117 A 1 ATOM 946 C CA . ARG A 1 117 ? 10.146 -7.625 -1.584 1.00 66.46 117 A 1 ATOM 947 C C . ARG A 1 117 ? 11.497 -8.331 -1.572 1.00 65.63 117 A 1 ATOM 948 O O . ARG A 1 117 ? 12.301 -8.156 -0.666 1.00 62.69 117 A 1 ATOM 949 C CB . ARG A 1 117 ? 10.285 -6.175 -2.065 1.00 63.53 117 A 1 ATOM 950 C CG . ARG A 1 117 ? 8.928 -5.643 -2.546 1.00 57.98 117 A 1 ATOM 951 C CD . ARG A 1 117 ? 9.061 -4.262 -3.183 1.00 56.48 117 A 1 ATOM 952 N NE . ARG A 1 117 ? 7.774 -3.862 -3.795 1.00 52.79 117 A 1 ATOM 953 C CZ . ARG A 1 117 ? 7.422 -3.982 -5.062 1.00 48.34 117 A 1 ATOM 954 N NH1 . ARG A 1 117 ? 8.248 -4.350 -5.997 1.00 45.75 117 A 1 ATOM 955 N NH2 . ARG A 1 117 ? 6.202 -3.745 -5.414 1.00 43.70 117 A 1 ATOM 956 N N . VAL A 1 118 ? 11.757 -9.123 -2.606 1.00 63.67 118 A 1 ATOM 957 C CA . VAL A 1 118 ? 13.027 -9.845 -2.744 1.00 60.97 118 A 1 ATOM 958 C C . VAL A 1 118 ? 13.936 -9.076 -3.689 1.00 59.38 118 A 1 ATOM 959 O O . VAL A 1 118 ? 13.651 -8.969 -4.881 1.00 54.63 118 A 1 ATOM 960 C CB . VAL A 1 118 ? 12.814 -11.295 -3.217 1.00 57.27 118 A 1 ATOM 961 C CG1 . VAL A 1 118 ? 14.141 -12.065 -3.236 1.00 52.16 118 A 1 ATOM 962 C CG2 . VAL A 1 118 ? 11.854 -12.034 -2.288 1.00 54.55 118 A 1 ATOM 963 N N . ASN A 1 119 ? 15.046 -8.554 -3.158 1.00 57.08 119 A 1 ATOM 964 C CA . ASN A 1 119 ? 16.101 -7.891 -3.943 1.00 54.96 119 A 1 ATOM 965 C C . ASN A 1 119 ? 15.598 -6.783 -4.888 1.00 53.58 119 A 1 ATOM 966 O O . ASN A 1 119 ? 16.076 -6.685 -6.020 1.00 50.33 119 A 1 ATOM 967 C CB . ASN A 1 119 ? 16.915 -8.963 -4.702 1.00 51.15 119 A 1 ATOM 968 C CG . ASN A 1 119 ? 17.594 -9.958 -3.789 1.00 47.92 119 A 1 ATOM 969 O OD1 . ASN A 1 119 ? 18.078 -9.624 -2.726 1.00 45.74 119 A 1 ATOM 970 N ND2 . ASN A 1 119 ? 17.676 -11.207 -4.166 1.00 44.90 119 A 1 ATOM 971 N N . PHE A 1 120 ? 14.598 -6.001 -4.457 1.00 51.30 120 A 1 ATOM 972 C CA . PHE A 1 120 ? 13.937 -4.981 -5.283 1.00 49.99 120 A 1 ATOM 973 C C . PHE A 1 120 ? 13.370 -5.515 -6.611 1.00 50.07 120 A 1 ATOM 974 O O . PHE A 1 120 ? 13.033 -4.744 -7.495 1.00 47.50 120 A 1 ATOM 975 C CB . PHE A 1 120 ? 14.858 -3.767 -5.475 1.00 46.21 120 A 1 ATOM 976 C CG . PHE A 1 120 ? 15.319 -3.141 -4.175 1.00 43.51 120 A 1 ATOM 977 C CD1 . PHE A 1 120 ? 14.480 -2.236 -3.501 1.00 40.98 120 A 1 ATOM 978 C CD2 . PHE A 1 120 ? 16.573 -3.472 -3.632 1.00 41.10 120 A 1 ATOM 979 C CE1 . PHE A 1 120 ? 14.893 -1.659 -2.288 1.00 36.98 120 A 1 ATOM 980 C CE2 . PHE A 1 120 ? 16.984 -2.897 -2.414 1.00 37.26 120 A 1 ATOM 981 C CZ . PHE A 1 120 ? 16.146 -1.990 -1.745 1.00 37.25 120 A 1 ATOM 982 N N . LYS A 1 121 ? 13.240 -6.835 -6.772 1.00 50.07 121 A 1 ATOM 983 C CA . LYS A 1 121 ? 12.628 -7.439 -7.957 1.00 50.91 121 A 1 ATOM 984 C C . LYS A 1 121 ? 11.103 -7.460 -7.829 1.00 51.13 121 A 1 ATOM 985 O O . LYS A 1 121 ? 10.538 -7.266 -6.756 1.00 48.32 121 A 1 ATOM 986 C CB . LYS A 1 121 ? 13.222 -8.835 -8.212 1.00 47.74 121 A 1 ATOM 987 C CG . LYS A 1 121 ? 14.711 -8.758 -8.568 1.00 44.63 121 A 1 ATOM 988 C CD . LYS A 1 121 ? 15.283 -10.148 -8.858 1.00 44.01 121 A 1 ATOM 989 C CE . LYS A 1 121 ? 16.774 -10.019 -9.175 1.00 40.70 121 A 1 ATOM 990 N NZ . LYS A 1 121 ? 17.394 -11.340 -9.437 1.00 36.91 121 A 1 ATOM 991 N N . ARG A 1 122 ? 10.437 -7.766 -8.945 1.00 50.55 122 A 1 ATOM 992 C CA . ARG A 1 122 ? 8.973 -7.904 -9.051 1.00 51.11 122 A 1 ATOM 993 C C . ARG A 1 122 ? 8.374 -8.988 -8.138 1.00 52.15 122 A 1 ATOM 994 O O . ARG A 1 122 ? 7.166 -9.022 -7.934 1.00 49.99 122 A 1 ATOM 995 C CB . ARG A 1 122 ? 8.611 -8.177 -10.520 1.00 48.00 122 A 1 ATOM 996 C CG . ARG A 1 122 ? 9.019 -7.026 -11.462 1.00 44.59 122 A 1 ATOM 997 C CD . ARG A 1 122 ? 8.635 -7.347 -12.909 1.00 42.49 122 A 1 ATOM 998 N NE . ARG A 1 122 ? 8.989 -6.254 -13.833 1.00 39.83 122 A 1 ATOM 999 C CZ . ARG A 1 122 ? 8.687 -6.186 -15.115 1.00 36.47 122 A 1 ATOM 1000 N NH1 . ARG A 1 122 ? 8.046 -7.131 -15.733 1.00 34.36 122 A 1 ATOM 1001 N NH2 . ARG A 1 122 ? 9.017 -5.148 -15.817 1.00 33.93 122 A 1 ATOM 1002 N N . SER A 1 123 ? 9.201 -9.882 -7.609 1.00 55.01 123 A 1 ATOM 1003 C CA . SER A 1 123 ? 8.757 -10.950 -6.717 1.00 56.56 123 A 1 ATOM 1004 C C . SER A 1 123 ? 8.612 -10.472 -5.270 1.00 58.57 123 A 1 ATOM 1005 O O . SER A 1 123 ? 9.438 -9.721 -4.752 1.00 56.27 123 A 1 ATOM 1006 C CB . SER A 1 123 ? 9.687 -12.164 -6.805 1.00 52.34 123 A 1 ATOM 1007 O OG . SER A 1 123 ? 11.031 -11.812 -6.556 1.00 47.10 123 A 1 ATOM 1008 N N . THR A 1 124 ? 7.570 -10.957 -4.609 1.00 61.34 124 A 1 ATOM 1009 C CA . THR A 1 124 ? 7.359 -10.777 -3.171 1.00 62.97 124 A 1 ATOM 1010 C C . THR A 1 124 ? 7.237 -12.136 -2.495 1.00 64.23 124 A 1 ATOM 1011 O O . THR A 1 124 ? 6.564 -13.024 -3.017 1.00 62.74 124 A 1 ATOM 1012 C CB . THR A 1 124 ? 6.102 -9.947 -2.860 1.00 60.65 124 A 1 ATOM 1013 O OG1 . THR A 1 124 ? 4.947 -10.579 -3.377 1.00 55.32 124 A 1 ATOM 1014 C CG2 . THR A 1 124 ? 6.161 -8.537 -3.430 1.00 56.09 124 A 1 ATOM 1015 N N . GLU A 1 125 ? 7.827 -12.271 -1.314 1.00 66.55 125 A 1 ATOM 1016 C CA . GLU A 1 125 ? 7.649 -13.421 -0.432 1.00 70.50 125 A 1 ATOM 1017 C C . GLU A 1 125 ? 6.521 -13.148 0.561 1.00 71.90 125 A 1 ATOM 1018 O O . GLU A 1 125 ? 6.379 -12.039 1.073 1.00 71.65 125 A 1 ATOM 1019 C CB . GLU A 1 125 ? 8.966 -13.736 0.285 1.00 69.58 125 A 1 ATOM 1020 C CG . GLU A 1 125 ? 9.957 -14.384 -0.691 1.00 63.13 125 A 1 ATOM 1021 C CD . GLU A 1 125 ? 11.354 -14.615 -0.105 1.00 62.32 125 A 1 ATOM 1022 O OE1 . GLU A 1 125 ? 12.171 -15.218 -0.841 1.00 56.56 125 A 1 ATOM 1023 O OE2 . GLU A 1 125 ? 11.635 -14.135 1.016 1.00 58.70 125 A 1 ATOM 1024 N N . TYR A 1 126 ? 5.707 -14.166 0.813 1.00 74.67 126 A 1 ATOM 1025 C CA . TYR A 1 126 ? 4.710 -14.101 1.871 1.00 75.23 126 A 1 ATOM 1026 C C . TYR A 1 126 ? 5.405 -14.223 3.231 1.00 76.09 126 A 1 ATOM 1027 O O . TYR A 1 126 ? 6.162 -15.161 3.452 1.00 74.73 126 A 1 ATOM 1028 C CB . TYR A 1 126 ? 3.670 -15.203 1.666 1.00 73.12 126 A 1 ATOM 1029 C CG . TYR A 1 126 ? 2.677 -15.317 2.805 1.00 70.90 126 A 1 ATOM 1030 C CD1 . TYR A 1 126 ? 2.875 -16.282 3.816 1.00 66.05 126 A 1 ATOM 1031 C CD2 . TYR A 1 126 ? 1.569 -14.454 2.872 1.00 66.31 126 A 1 ATOM 1032 C CE1 . TYR A 1 126 ? 1.961 -16.391 4.878 1.00 63.11 126 A 1 ATOM 1033 C CE2 . TYR A 1 126 ? 0.652 -14.564 3.936 1.00 63.73 126 A 1 ATOM 1034 C CZ . TYR A 1 126 ? 0.846 -15.537 4.938 1.00 65.83 126 A 1 ATOM 1035 O OH . TYR A 1 126 ? -0.042 -15.659 5.960 1.00 63.99 126 A 1 ATOM 1036 N N . VAL A 1 127 ? 5.126 -13.287 4.135 1.00 75.11 127 A 1 ATOM 1037 C CA . VAL A 1 127 ? 5.685 -13.265 5.495 1.00 77.24 127 A 1 ATOM 1038 C C . VAL A 1 127 ? 4.644 -13.710 6.518 1.00 77.66 127 A 1 ATOM 1039 O O . VAL A 1 127 ? 4.950 -14.471 7.425 1.00 74.81 127 A 1 ATOM 1040 C CB . VAL A 1 127 ? 6.217 -11.860 5.835 1.00 76.35 127 A 1 ATOM 1041 C CG1 . VAL A 1 127 ? 6.785 -11.797 7.254 1.00 71.94 127 A 1 ATOM 1042 C CG2 . VAL A 1 127 ? 7.331 -11.439 4.865 1.00 74.45 127 A 1 ATOM 1043 N N . GLY A 1 128 ? 3.397 -13.262 6.365 1.00 81.77 128 A 1 ATOM 1044 C CA . GLY A 1 128 ? 2.319 -13.533 7.308 1.00 82.69 128 A 1 ATOM 1045 C C . GLY A 1 128 ? 1.027 -12.847 6.888 1.00 84.10 128 A 1 ATOM 1046 O O . GLY A 1 128 ? 0.946 -12.258 5.807 1.00 82.85 128 A 1 ATOM 1047 N N . GLY A 1 129 ? 0.002 -12.922 7.712 1.00 85.36 129 A 1 ATOM 1048 C CA . GLY A 1 129 ? -1.276 -12.299 7.407 1.00 85.68 129 A 1 ATOM 1049 C C . GLY A 1 129 ? -2.082 -11.889 8.627 1.00 86.96 129 A 1 ATOM 1050 O O . GLY A 1 129 ? -1.883 -12.400 9.728 1.00 86.06 129 A 1 ATOM 1051 N N . LEU A 1 130 ? -2.996 -10.964 8.397 1.00 87.35 130 A 1 ATOM 1052 C CA . LEU A 1 130 ? -3.914 -10.415 9.381 1.00 88.51 130 A 1 ATOM 1053 C C . LEU A 1 130 ? -5.349 -10.679 8.924 1.00 88.06 130 A 1 ATOM 1054 O O . LEU A 1 130 ? -5.716 -10.335 7.799 1.00 87.01 130 A 1 ATOM 1055 C CB . LEU A 1 130 ? -3.662 -8.907 9.558 1.00 88.76 130 A 1 ATOM 1056 C CG . LEU A 1 130 ? -2.205 -8.493 9.853 1.00 88.63 130 A 1 ATOM 1057 C CD1 . LEU A 1 130 ? -2.127 -6.980 10.045 1.00 84.41 130 A 1 ATOM 1058 C CD2 . LEU A 1 130 ? -1.648 -9.157 11.113 1.00 84.97 130 A 1 ATOM 1059 N N . PHE A 1 131 ? -6.162 -11.275 9.786 1.00 86.88 131 A 1 ATOM 1060 C CA . PHE A 1 131 ? -7.605 -11.335 9.598 1.00 86.27 131 A 1 ATOM 1061 C C . PHE A 1 131 ? -8.224 -10.067 10.165 1.00 87.32 131 A 1 ATOM 1062 O O . PHE A 1 131 ? -7.958 -9.697 11.306 1.00 86.72 131 A 1 ATOM 1063 C CB . PHE A 1 131 ? -8.194 -12.580 10.251 1.00 84.68 131 A 1 ATOM 1064 C CG . PHE A 1 131 ? -7.772 -13.873 9.591 1.00 80.78 131 A 1 ATOM 1065 C CD1 . PHE A 1 131 ? -8.592 -14.461 8.608 1.00 75.58 131 A 1 ATOM 1066 C CD2 . PHE A 1 131 ? -6.560 -14.490 9.952 1.00 74.52 131 A 1 ATOM 1067 C CE1 . PHE A 1 131 ? -8.207 -15.670 8.006 1.00 72.11 131 A 1 ATOM 1068 C CE2 . PHE A 1 131 ? -6.173 -15.695 9.341 1.00 71.43 131 A 1 ATOM 1069 C CZ . PHE A 1 131 ? -7.001 -16.288 8.372 1.00 73.35 131 A 1 ATOM 1070 N N . VAL A 1 132 ? -9.051 -9.419 9.360 1.00 86.99 132 A 1 ATOM 1071 C CA . VAL A 1 132 ? -9.654 -8.127 9.678 1.00 86.83 132 A 1 ATOM 1072 C C . VAL A 1 132 ? -11.167 -8.249 9.604 1.00 86.25 132 A 1 ATOM 1073 O O . VAL A 1 132 ? -11.716 -8.830 8.665 1.00 85.40 132 A 1 ATOM 1074 C CB . VAL A 1 132 ? -9.113 -7.017 8.756 1.00 85.95 132 A 1 ATOM 1075 C CG1 . VAL A 1 132 ? -9.736 -5.657 9.087 1.00 80.12 132 A 1 ATOM 1076 C CG2 . VAL A 1 132 ? -7.589 -6.885 8.896 1.00 80.64 132 A 1 ATOM 1077 N N . LYS A 1 133 ? -11.840 -7.691 10.599 1.00 87.29 133 A 1 ATOM 1078 C CA . LYS A 1 133 ? -13.292 -7.582 10.645 1.00 86.93 133 A 1 ATOM 1079 C C . LYS A 1 133 ? -13.675 -6.302 11.376 1.00 87.30 133 A 1 ATOM 1080 O O . LYS A 1 133 ? -13.144 -6.038 12.446 1.00 86.22 133 A 1 ATOM 1081 C CB . LYS A 1 133 ? -13.867 -8.825 11.335 1.00 85.29 133 A 1 ATOM 1082 C CG . LYS A 1 133 ? -15.393 -8.815 11.271 1.00 78.87 133 A 1 ATOM 1083 C CD . LYS A 1 133 ? -15.990 -10.006 12.014 1.00 76.03 133 A 1 ATOM 1084 C CE . LYS A 1 133 ? -17.501 -9.808 12.006 1.00 67.44 133 A 1 ATOM 1085 N NZ . LYS A 1 133 ? -18.183 -10.801 12.861 1.00 61.05 133 A 1 ATOM 1086 N N . ASP A 1 134 ? -14.597 -5.530 10.799 1.00 87.19 134 A 1 ATOM 1087 C CA . ASP A 1 134 ? -15.137 -4.308 11.414 1.00 86.78 134 A 1 ATOM 1088 C C . ASP A 1 134 ? -14.029 -3.333 11.880 1.00 87.15 134 A 1 ATOM 1089 O O . ASP A 1 134 ? -14.057 -2.819 12.991 1.00 84.78 134 A 1 ATOM 1090 C CB . ASP A 1 134 ? -16.166 -4.687 12.509 1.00 85.69 134 A 1 ATOM 1091 C CG . ASP A 1 134 ? -17.261 -5.634 11.995 1.00 83.19 134 A 1 ATOM 1092 O OD1 . ASP A 1 134 ? -17.737 -5.413 10.860 1.00 78.91 134 A 1 ATOM 1093 O OD2 . ASP A 1 134 ? -17.597 -6.620 12.698 1.00 78.27 134 A 1 ATOM 1094 N N . ASN A 1 135 ? -13.011 -3.112 11.022 1.00 87.43 135 A 1 ATOM 1095 C CA . ASN A 1 135 ? -11.819 -2.290 11.291 1.00 86.90 135 A 1 ATOM 1096 C C . ASN A 1 135 ? -10.956 -2.754 12.480 1.00 88.12 135 A 1 ATOM 1097 O O . ASN A 1 135 ? -10.138 -1.992 12.996 1.00 86.29 135 A 1 ATOM 1098 C CB . ASN A 1 135 ? -12.192 -0.801 11.378 1.00 84.42 135 A 1 ATOM 1099 C CG . ASN A 1 135 ? -12.809 -0.262 10.106 1.00 78.50 135 A 1 ATOM 1100 O OD1 . ASN A 1 135 ? -12.528 -0.698 9.001 1.00 71.21 135 A 1 ATOM 1101 N ND2 . ASN A 1 135 ? -13.670 0.723 10.217 1.00 69.35 135 A 1 ATOM 1102 N N . LYS A 1 136 ? -11.085 -4.009 12.878 1.00 88.33 136 A 1 ATOM 1103 C CA . LYS A 1 136 ? -10.257 -4.647 13.899 1.00 89.14 136 A 1 ATOM 1104 C C . LYS A 1 136 ? -9.452 -5.804 13.323 1.00 90.16 136 A 1 ATOM 1105 O O . LYS A 1 136 ? -9.947 -6.568 12.500 1.00 89.12 136 A 1 ATOM 1106 C CB . LYS A 1 136 ? -11.119 -5.115 15.066 1.00 88.56 136 A 1 ATOM 1107 C CG . LYS A 1 136 ? -11.713 -3.938 15.851 1.00 85.64 136 A 1 ATOM 1108 C CD . LYS A 1 136 ? -12.345 -4.470 17.130 1.00 81.53 136 A 1 ATOM 1109 C CE . LYS A 1 136 ? -12.549 -3.365 18.165 1.00 76.52 136 A 1 ATOM 1110 N NZ . LYS A 1 136 ? -12.431 -3.941 19.529 1.00 68.57 136 A 1 ATOM 1111 N N . ILE A 1 137 ? -8.234 -5.956 13.807 1.00 88.53 137 A 1 ATOM 1112 C CA . ILE A 1 137 ? -7.420 -7.149 13.619 1.00 89.08 137 A 1 ATOM 1113 C C . ILE A 1 137 ? -7.925 -8.184 14.624 1.00 89.01 137 A 1 ATOM 1114 O O . ILE A 1 137 ? -7.846 -7.968 15.829 1.00 87.78 137 A 1 ATOM 1115 C CB . ILE A 1 137 ? -5.919 -6.849 13.814 1.00 90.14 137 A 1 ATOM 1116 C CG1 . ILE A 1 137 ? -5.449 -5.682 12.915 1.00 89.38 137 A 1 ATOM 1117 C CG2 . ILE A 1 137 ? -5.106 -8.120 13.519 1.00 88.59 137 A 1 ATOM 1118 C CD1 . ILE A 1 137 ? -4.068 -5.137 13.284 1.00 86.29 137 A 1 ATOM 1119 N N . THR A 1 138 ? -8.453 -9.293 14.123 1.00 88.56 138 A 1 ATOM 1120 C CA . THR A 1 138 ? -9.049 -10.361 14.945 1.00 87.70 138 A 1 ATOM 1121 C C . THR A 1 138 ? -8.145 -11.580 15.065 1.00 87.45 138 A 1 ATOM 1122 O O . THR A 1 138 ? -8.292 -12.381 15.980 1.00 86.33 138 A 1 ATOM 1123 C CB . THR A 1 138 ? -10.407 -10.793 14.386 1.00 87.73 138 A 1 ATOM 1124 O OG1 . THR A 1 138 ? -10.290 -11.236 13.050 1.00 85.15 138 A 1 ATOM 1125 C CG2 . THR A 1 138 ? -11.426 -9.657 14.403 1.00 83.46 138 A 1 ATOM 1126 N N . ARG A 1 139 ? -7.197 -11.736 14.139 1.00 87.17 139 A 1 ATOM 1127 C CA . ARG A 1 139 ? -6.251 -12.852 14.152 1.00 86.66 139 A 1 ATOM 1128 C C . ARG A 1 139 ? -4.983 -12.512 13.385 1.00 87.18 139 A 1 ATOM 1129 O O . ARG A 1 139 ? -5.044 -11.947 12.295 1.00 86.51 139 A 1 ATOM 1130 C CB . ARG A 1 139 ? -6.953 -14.092 13.587 1.00 85.26 139 A 1 ATOM 1131 C CG . ARG A 1 139 ? -6.083 -15.348 13.570 1.00 77.56 139 A 1 ATOM 1132 C CD . ARG A 1 139 ? -6.846 -16.523 12.965 1.00 77.54 139 A 1 ATOM 1133 N NE . ARG A 1 139 ? -7.970 -16.906 13.824 1.00 69.06 139 A 1 ATOM 1134 C CZ . ARG A 1 139 ? -8.936 -17.738 13.563 1.00 63.65 139 A 1 ATOM 1135 N NH1 . ARG A 1 139 ? -9.024 -18.364 12.420 1.00 56.79 139 A 1 ATOM 1136 N NH2 . ARG A 1 139 ? -9.835 -17.944 14.480 1.00 53.31 139 A 1 ATOM 1137 N N . ILE A 1 140 ? -3.852 -12.941 13.928 1.00 86.13 140 A 1 ATOM 1138 C CA . ILE A 1 140 ? -2.537 -12.883 13.285 1.00 85.99 140 A 1 ATOM 1139 C C . ILE A 1 140 ? -2.178 -14.291 12.836 1.00 84.84 140 A 1 ATOM 1140 O O . ILE A 1 140 ? -2.284 -15.237 13.616 1.00 82.79 140 A 1 ATOM 1141 C CB . ILE A 1 140 ? -1.480 -12.319 14.257 1.00 86.67 140 A 1 ATOM 1142 C CG1 . ILE A 1 140 ? -1.891 -10.933 14.801 1.00 85.79 140 A 1 ATOM 1143 C CG2 . ILE A 1 140 ? -0.108 -12.247 13.562 1.00 85.05 140 A 1 ATOM 1144 C CD1 . ILE A 1 140 ? -1.094 -10.522 16.039 1.00 82.12 140 A 1 ATOM 1145 N N . SER A 1 141 ? -1.739 -14.433 11.588 1.00 85.19 141 A 1 ATOM 1146 C CA . SER A 1 141 ? -1.292 -15.701 11.024 1.00 83.07 141 A 1 ATOM 1147 C C . SER A 1 141 ? 0.169 -15.613 10.608 1.00 82.22 141 A 1 ATOM 1148 O O . SER A 1 141 ? 0.522 -14.771 9.781 1.00 79.51 141 A 1 ATOM 1149 C CB . SER A 1 141 ? -2.176 -16.058 9.843 1.00 80.31 141 A 1 ATOM 1150 O OG . SER A 1 141 ? -1.943 -17.409 9.575 1.00 69.15 141 A 1 ATOM 1151 N N . TYR A 1 142 ? 1.022 -16.470 11.153 1.00 78.21 142 A 1 ATOM 1152 C CA . TYR A 1 142 ? 2.452 -16.456 10.864 1.00 75.72 142 A 1 ATOM 1153 C C . TYR A 1 142 ? 3.019 -17.863 10.627 1.00 74.15 142 A 1 ATOM 1154 O O . TYR A 1 142 ? 2.584 -18.835 11.252 1.00 69.47 142 A 1 ATOM 1155 C CB . TYR A 1 142 ? 3.211 -15.693 11.961 1.00 72.68 142 A 1 ATOM 1156 C CG . TYR A 1 142 ? 3.167 -16.305 13.343 1.00 68.72 142 A 1 ATOM 1157 C CD1 . TYR A 1 142 ? 2.071 -16.056 14.187 1.00 63.29 142 A 1 ATOM 1158 C CD2 . TYR A 1 142 ? 4.244 -17.087 13.802 1.00 62.52 142 A 1 ATOM 1159 C CE1 . TYR A 1 142 ? 2.053 -16.569 15.495 1.00 56.98 142 A 1 ATOM 1160 C CE2 . TYR A 1 142 ? 4.232 -17.605 15.110 1.00 57.47 142 A 1 ATOM 1161 C CZ . TYR A 1 142 ? 3.137 -17.338 15.960 1.00 56.10 142 A 1 ATOM 1162 O OH . TYR A 1 142 ? 3.138 -17.816 17.233 1.00 55.14 142 A 1 ATOM 1163 N N . PRO A 1 143 ? 3.982 -17.994 9.693 1.00 70.75 143 A 1 ATOM 1164 C CA . PRO A 1 143 ? 4.616 -19.270 9.407 1.00 68.58 143 A 1 ATOM 1165 C C . PRO A 1 143 ? 5.580 -19.676 10.534 1.00 67.75 143 A 1 ATOM 1166 O O . PRO A 1 143 ? 6.396 -18.889 11.001 1.00 63.34 143 A 1 ATOM 1167 C CB . PRO A 1 143 ? 5.324 -19.072 8.065 1.00 65.12 143 A 1 ATOM 1168 C CG . PRO A 1 143 ? 5.675 -17.587 8.059 1.00 63.79 143 A 1 ATOM 1169 C CD . PRO A 1 143 ? 4.522 -16.950 8.826 1.00 66.99 143 A 1 ATOM 1170 N N . LEU A 1 144 ? 5.529 -20.949 10.927 1.00 59.47 144 A 1 ATOM 1171 C CA . LEU A 1 144 ? 6.523 -21.627 11.755 1.00 58.73 144 A 1 ATOM 1172 C C . LEU A 1 144 ? 7.097 -22.772 10.924 1.00 58.76 144 A 1 ATOM 1173 O O . LEU A 1 144 ? 6.405 -23.752 10.707 1.00 53.89 144 A 1 ATOM 1174 C CB . LEU A 1 144 ? 5.863 -22.161 13.038 1.00 53.71 144 A 1 ATOM 1175 C CG . LEU A 1 144 ? 5.470 -21.105 14.079 1.00 48.60 144 A 1 ATOM 1176 C CD1 . LEU A 1 144 ? 4.705 -21.802 15.209 1.00 45.60 144 A 1 ATOM 1177 C CD2 . LEU A 1 144 ? 6.694 -20.420 14.693 1.00 46.91 144 A 1 ATOM 1178 N N . SER A 1 145 ? 8.327 -22.638 10.446 1.00 54.58 145 A 1 ATOM 1179 C CA . SER A 1 145 ? 9.151 -23.601 9.675 1.00 54.67 145 A 1 ATOM 1180 C C . SER A 1 145 ? 8.445 -24.653 8.798 1.00 53.47 145 A 1 ATOM 1181 O O . SER A 1 145 ? 8.737 -24.739 7.606 1.00 50.13 145 A 1 ATOM 1182 C CB . SER A 1 145 ? 10.181 -24.265 10.604 1.00 50.72 145 A 1 ATOM 1183 O OG . SER A 1 145 ? 9.557 -25.033 11.616 1.00 45.57 145 A 1 ATOM 1184 N N . VAL A 1 146 ? 7.528 -25.445 9.348 1.00 54.02 146 A 1 ATOM 1185 C CA . VAL A 1 146 ? 6.748 -26.492 8.654 1.00 54.89 146 A 1 ATOM 1186 C C . VAL A 1 146 ? 5.232 -26.379 8.870 1.00 55.42 146 A 1 ATOM 1187 O O . VAL A 1 146 ? 4.479 -27.216 8.391 1.00 50.55 146 A 1 ATOM 1188 C CB . VAL A 1 146 ? 7.239 -27.901 9.055 1.00 50.26 146 A 1 ATOM 1189 C CG1 . VAL A 1 146 ? 8.650 -28.171 8.522 1.00 44.22 146 A 1 ATOM 1190 C CG2 . VAL A 1 146 ? 7.231 -28.119 10.573 1.00 49.11 146 A 1 ATOM 1191 N N . SER A 1 147 ? 4.775 -25.372 9.602 1.00 62.19 147 A 1 ATOM 1192 C CA . SER A 1 147 ? 3.361 -25.157 9.916 1.00 64.81 147 A 1 ATOM 1193 C C . SER A 1 147 ? 3.031 -23.666 9.982 1.00 64.85 147 A 1 ATOM 1194 O O . SER A 1 147 ? 3.919 -22.816 9.991 1.00 60.84 147 A 1 ATOM 1195 C CB . SER A 1 147 ? 2.995 -25.872 11.224 1.00 61.52 147 A 1 ATOM 1196 O OG . SER A 1 147 ? 3.704 -25.332 12.326 1.00 55.18 147 A 1 ATOM 1197 N N . GLN A 1 148 ? 1.745 -23.354 10.000 1.00 65.24 148 A 1 ATOM 1198 C CA . GLN A 1 148 ? 1.244 -22.006 10.231 1.00 66.47 148 A 1 ATOM 1199 C C . GLN A 1 148 ? 0.599 -21.967 11.615 1.00 67.11 148 A 1 ATOM 1200 O O . GLN A 1 148 ? -0.108 -22.902 11.985 1.00 63.83 148 A 1 ATOM 1201 C CB . GLN A 1 148 ? 0.283 -21.657 9.087 1.00 63.06 148 A 1 ATOM 1202 C CG . GLN A 1 148 ? -0.235 -20.214 9.122 1.00 57.22 148 A 1 ATOM 1203 C CD . GLN A 1 148 ? -1.058 -19.884 7.867 1.00 53.29 148 A 1 ATOM 1204 O OE1 . GLN A 1 148 ? -0.765 -20.290 6.754 1.00 51.25 148 A 1 ATOM 1205 N NE2 . GLN A 1 148 ? -2.123 -19.131 7.967 1.00 48.20 148 A 1 ATOM 1206 N N . LYS A 1 149 ? 0.864 -20.914 12.379 1.00 71.99 149 A 1 ATOM 1207 C CA . LYS A 1 149 ? 0.220 -20.685 13.674 1.00 73.37 149 A 1 ATOM 1208 C C . LYS A 1 149 ? -0.617 -19.420 13.607 1.00 75.90 149 A 1 ATOM 1209 O O . LYS A 1 149 ? -0.168 -18.395 13.099 1.00 71.77 149 A 1 ATOM 1210 C CB . LYS A 1 149 ? 1.266 -20.655 14.798 1.00 68.79 149 A 1 ATOM 1211 C CG . LYS A 1 149 ? 0.617 -20.563 16.193 1.00 61.10 149 A 1 ATOM 1212 C CD . LYS A 1 149 ? 1.650 -20.749 17.319 1.00 57.47 149 A 1 ATOM 1213 C CE . LYS A 1 149 ? 0.972 -20.613 18.692 1.00 51.92 149 A 1 ATOM 1214 N NZ . LYS A 1 149 ? 1.930 -20.775 19.820 1.00 45.59 149 A 1 ATOM 1215 N N . ASP A 1 150 ? -1.816 -19.532 14.152 1.00 77.71 150 A 1 ATOM 1216 C CA . ASP A 1 150 ? -2.756 -18.434 14.282 1.00 78.38 150 A 1 ATOM 1217 C C . ASP A 1 150 ? -2.832 -18.003 15.751 1.00 78.86 150 A 1 ATOM 1218 O O . ASP A 1 150 ? -2.808 -18.839 16.656 1.00 76.84 150 A 1 ATOM 1219 C CB . ASP A 1 150 ? -4.132 -18.856 13.745 1.00 75.48 150 A 1 ATOM 1220 C CG . ASP A 1 150 ? -4.216 -18.997 12.216 1.00 72.41 150 A 1 ATOM 1221 O OD1 . ASP A 1 150 ? -3.195 -18.807 11.513 1.00 68.30 150 A 1 ATOM 1222 O OD2 . ASP A 1 150 ? -5.345 -19.259 11.738 1.00 67.97 150 A 1 ATOM 1223 N N . VAL A 1 151 ? -2.927 -16.702 15.978 1.00 82.87 151 A 1 ATOM 1224 C CA . VAL A 1 151 ? -3.119 -16.078 17.292 1.00 83.42 151 A 1 ATOM 1225 C C . VAL A 1 151 ? -4.324 -15.152 17.207 1.00 85.15 151 A 1 ATOM 1226 O O . VAL A 1 151 ? -4.315 -14.211 16.417 1.00 84.09 151 A 1 ATOM 1227 C CB . VAL A 1 151 ? -1.864 -15.309 17.737 1.00 81.15 151 A 1 ATOM 1228 C CG1 . VAL A 1 151 ? -2.064 -14.664 19.112 1.00 73.23 151 A 1 ATOM 1229 C CG2 . VAL A 1 151 ? -0.650 -16.240 17.837 1.00 73.02 151 A 1 ATOM 1230 N N . ASP A 1 152 ? -5.344 -15.425 18.002 1.00 83.40 152 A 1 ATOM 1231 C CA . ASP A 1 152 ? -6.506 -14.547 18.107 1.00 83.95 152 A 1 ATOM 1232 C C . ASP A 1 152 ? -6.144 -13.302 18.930 1.00 84.24 152 A 1 ATOM 1233 O O . ASP A 1 152 ? -5.482 -13.395 19.963 1.00 82.40 152 A 1 ATOM 1234 C CB . ASP A 1 152 ? -7.710 -15.302 18.696 1.00 82.28 152 A 1 ATOM 1235 C CG . ASP A 1 152 ? -8.204 -16.458 17.805 1.00 79.34 152 A 1 ATOM 1236 O OD1 . ASP A 1 152 ? -8.356 -16.284 16.569 1.00 74.25 152 A 1 ATOM 1237 O OD2 . ASP A 1 152 ? -8.449 -17.561 18.344 1.00 73.06 152 A 1 ATOM 1238 N N . VAL A 1 153 ? -6.568 -12.145 18.447 1.00 87.40 153 A 1 ATOM 1239 C CA . VAL A 1 153 ? -6.344 -10.822 19.048 1.00 87.70 153 A 1 ATOM 1240 C C . VAL A 1 153 ? -7.593 -9.953 18.864 1.00 88.32 153 A 1 ATOM 1241 O O . VAL A 1 153 ? -8.444 -10.244 18.025 1.00 87.33 153 A 1 ATOM 1242 C CB . VAL A 1 153 ? -5.099 -10.117 18.458 1.00 87.23 153 A 1 ATOM 1243 C CG1 . VAL A 1 153 ? -3.801 -10.882 18.749 1.00 82.64 153 A 1 ATOM 1244 C CG2 . VAL A 1 153 ? -5.187 -9.888 16.941 1.00 82.22 153 A 1 ATOM 1245 N N . ASP A 1 154 ? -7.692 -8.875 19.619 1.00 86.60 154 A 1 ATOM 1246 C CA . ASP A 1 154 ? -8.697 -7.817 19.433 1.00 86.79 154 A 1 ATOM 1247 C C . ASP A 1 154 ? -7.977 -6.460 19.445 1.00 86.87 154 A 1 ATOM 1248 O O . ASP A 1 154 ? -7.777 -5.858 20.498 1.00 84.53 154 A 1 ATOM 1249 C CB . ASP A 1 154 ? -9.807 -7.909 20.499 1.00 85.88 154 A 1 ATOM 1250 C CG . ASP A 1 154 ? -10.938 -6.887 20.256 1.00 82.95 154 A 1 ATOM 1251 O OD1 . ASP A 1 154 ? -11.123 -6.440 19.101 1.00 76.64 154 A 1 ATOM 1252 O OD2 . ASP A 1 154 ? -11.688 -6.538 21.191 1.00 75.28 154 A 1 ATOM 1253 N N . LEU A 1 155 ? -7.496 -6.036 18.278 1.00 89.70 155 A 1 ATOM 1254 C CA . LEU A 1 155 ? -6.706 -4.817 18.110 1.00 88.99 155 A 1 ATOM 1255 C C . LEU A 1 155 ? -7.322 -3.940 17.021 1.00 89.30 155 A 1 ATOM 1256 O O . LEU A 1 155 ? -7.696 -4.443 15.965 1.00 88.37 155 A 1 ATOM 1257 C CB . LEU A 1 155 ? -5.254 -5.169 17.735 1.00 88.43 155 A 1 ATOM 1258 C CG . LEU A 1 155 ? -4.471 -5.978 18.786 1.00 85.35 155 A 1 ATOM 1259 C CD1 . LEU A 1 155 ? -3.096 -6.351 18.221 1.00 80.29 155 A 1 ATOM 1260 C CD2 . LEU A 1 155 ? -4.256 -5.187 20.075 1.00 80.26 155 A 1 ATOM 1261 N N . ASP A 1 156 ? -7.348 -2.635 17.231 1.00 89.18 156 A 1 ATOM 1262 C CA . ASP A 1 156 ? -7.769 -1.706 16.185 1.00 88.53 156 A 1 ATOM 1263 C C . ASP A 1 156 ? -6.815 -1.751 14.986 1.00 89.16 156 A 1 ATOM 1264 O O . ASP A 1 156 ? -5.592 -1.875 15.127 1.00 88.39 156 A 1 ATOM 1265 C CB . ASP A 1 156 ? -7.897 -0.283 16.749 1.00 87.18 156 A 1 ATOM 1266 C CG . ASP A 1 156 ? -8.975 -0.184 17.836 1.00 84.16 156 A 1 ATOM 1267 O OD1 . ASP A 1 156 ? -10.001 -0.903 17.724 1.00 78.44 156 A 1 ATOM 1268 O OD2 . ASP A 1 156 ? -8.740 0.588 18.783 1.00 77.04 156 A 1 ATOM 1269 N N . LEU A 1 157 ? -7.373 -1.653 13.784 1.00 89.69 157 A 1 ATOM 1270 C CA . LEU A 1 157 ? -6.605 -1.658 12.544 1.00 89.30 157 A 1 ATOM 1271 C C . LEU A 1 157 ? -5.953 -0.284 12.322 1.00 89.00 157 A 1 ATOM 1272 O O . LEU A 1 157 ? -6.468 0.552 11.584 1.00 87.59 157 A 1 ATOM 1273 C CB . LEU A 1 157 ? -7.519 -2.105 11.392 1.00 88.33 157 A 1 ATOM 1274 C CG . LEU A 1 157 ? -6.787 -2.227 10.040 1.00 86.69 157 A 1 ATOM 1275 C CD1 . LEU A 1 157 ? -5.756 -3.360 10.032 1.00 82.54 157 A 1 ATOM 1276 C CD2 . LEU A 1 157 ? -7.800 -2.516 8.936 1.00 82.45 157 A 1 ATOM 1277 N N . THR A 1 158 ? -4.799 -0.066 12.946 1.00 89.79 158 A 1 ATOM 1278 C CA . THR A 1 158 ? -4.014 1.176 12.859 1.00 89.73 158 A 1 ATOM 1279 C C . THR A 1 158 ? -2.593 0.897 12.370 1.00 89.99 158 A 1 ATOM 1280 O O . THR A 1 158 ? -2.083 -0.220 12.526 1.00 90.00 158 A 1 ATOM 1281 C CB . THR A 1 158 ? -3.955 1.910 14.211 1.00 89.76 158 A 1 ATOM 1282 O OG1 . THR A 1 158 ? -3.256 1.136 15.166 1.00 86.73 158 A 1 ATOM 1283 C CG2 . THR A 1 158 ? -5.335 2.223 14.789 1.00 85.32 158 A 1 ATOM 1284 N N . GLU A 1 159 ? -1.912 1.912 11.816 1.00 87.61 159 A 1 ATOM 1285 C CA . GLU A 1 159 ? -0.494 1.783 11.441 1.00 87.09 159 A 1 ATOM 1286 C C . GLU A 1 159 ? 0.377 1.347 12.630 1.00 88.11 159 A 1 ATOM 1287 O O . GLU A 1 159 ? 1.259 0.497 12.476 1.00 87.75 159 A 1 ATOM 1288 C CB . GLU A 1 159 ? 0.077 3.113 10.899 1.00 85.03 159 A 1 ATOM 1289 C CG . GLU A 1 159 ? -0.390 3.484 9.485 1.00 77.19 159 A 1 ATOM 1290 C CD . GLU A 1 159 ? 0.512 4.540 8.807 1.00 74.34 159 A 1 ATOM 1291 O OE1 . GLU A 1 159 ? 0.347 4.770 7.589 1.00 66.31 159 A 1 ATOM 1292 O OE2 . GLU A 1 159 ? 1.505 5.027 9.414 1.00 66.42 159 A 1 ATOM 1293 N N . ASN A 1 160 ? 0.117 1.875 13.825 1.00 87.30 160 A 1 ATOM 1294 C CA . ASN A 1 160 ? 0.871 1.540 15.030 1.00 87.27 160 A 1 ATOM 1295 C C . ASN A 1 160 ? 0.741 0.056 15.391 1.00 88.65 160 A 1 ATOM 1296 O O . ASN A 1 160 ? 1.751 -0.625 15.582 1.00 88.24 160 A 1 ATOM 1297 C CB . ASN A 1 160 ? 0.415 2.456 16.181 1.00 85.96 160 A 1 ATOM 1298 C CG . ASN A 1 160 ? 0.920 3.880 16.016 1.00 77.21 160 A 1 ATOM 1299 O OD1 . ASN A 1 160 ? 1.981 4.118 15.464 1.00 69.04 160 A 1 ATOM 1300 N ND2 . ASN A 1 160 ? 0.195 4.859 16.503 1.00 67.09 160 A 1 ATOM 1301 N N . ASN A 1 161 ? -0.485 -0.481 15.409 1.00 89.02 161 A 1 ATOM 1302 C CA . ASN A 1 161 ? -0.715 -1.895 15.704 1.00 89.53 161 A 1 ATOM 1303 C C . ASN A 1 161 ? -0.133 -2.805 14.617 1.00 89.97 161 A 1 ATOM 1304 O O . ASN A 1 161 ? 0.471 -3.826 14.941 1.00 89.25 161 A 1 ATOM 1305 C CB . ASN A 1 161 ? -2.216 -2.134 15.921 1.00 89.72 161 A 1 ATOM 1306 C CG . ASN A 1 161 ? -2.705 -1.599 17.259 1.00 88.53 161 A 1 ATOM 1307 O OD1 . ASN A 1 161 ? -1.951 -1.435 18.206 1.00 82.71 161 A 1 ATOM 1308 N ND2 . ASN A 1 161 ? -3.986 -1.340 17.386 1.00 81.97 161 A 1 ATOM 1309 N N . ILE A 1 162 ? -0.233 -2.423 13.340 1.00 89.74 162 A 1 ATOM 1310 C CA . ILE A 1 162 ? 0.367 -3.170 12.225 1.00 90.07 162 A 1 ATOM 1311 C C . ILE A 1 162 ? 1.890 -3.269 12.390 1.00 89.96 162 A 1 ATOM 1312 O O . ILE A 1 162 ? 2.440 -4.368 12.320 1.00 89.30 162 A 1 ATOM 1313 C CB . ILE A 1 162 ? -0.017 -2.519 10.878 1.00 90.37 162 A 1 ATOM 1314 C CG1 . ILE A 1 162 ? -1.522 -2.730 10.586 1.00 89.09 162 A 1 ATOM 1315 C CG2 . ILE A 1 162 ? 0.822 -3.086 9.716 1.00 88.70 162 A 1 ATOM 1316 C CD1 . ILE A 1 162 ? -2.071 -1.756 9.532 1.00 85.05 162 A 1 ATOM 1317 N N . ASN A 1 163 ? 2.578 -2.145 12.631 1.00 89.74 163 A 1 ATOM 1318 C CA . ASN A 1 163 ? 4.036 -2.137 12.796 1.00 88.84 163 A 1 ATOM 1319 C C . ASN A 1 163 ? 4.474 -2.890 14.059 1.00 88.81 163 A 1 ATOM 1320 O O . ASN A 1 163 ? 5.469 -3.613 14.042 1.00 87.78 163 A 1 ATOM 1321 C CB . ASN A 1 163 ? 4.534 -0.684 12.809 1.00 88.11 163 A 1 ATOM 1322 C CG . ASN A 1 163 ? 4.473 -0.054 11.431 1.00 86.34 163 A 1 ATOM 1323 O OD1 . ASN A 1 163 ? 5.042 -0.534 10.468 1.00 78.56 163 A 1 ATOM 1324 N ND2 . ASN A 1 163 ? 3.770 1.040 11.277 1.00 77.38 163 A 1 ATOM 1325 N N . ARG A 1 164 ? 3.701 -2.805 15.138 1.00 88.71 164 A 1 ATOM 1326 C CA . ARG A 1 164 ? 3.976 -3.554 16.365 1.00 88.10 164 A 1 ATOM 1327 C C . ARG A 1 164 ? 3.833 -5.063 16.166 1.00 88.39 164 A 1 ATOM 1328 O O . ARG A 1 164 ? 4.698 -5.820 16.600 1.00 86.93 164 A 1 ATOM 1329 C CB . ARG A 1 164 ? 3.057 -3.019 17.461 1.00 87.61 164 A 1 ATOM 1330 C CG . ARG A 1 164 ? 3.398 -3.632 18.818 1.00 77.12 164 A 1 ATOM 1331 C CD . ARG A 1 164 ? 2.576 -2.894 19.872 1.00 73.03 164 A 1 ATOM 1332 N NE . ARG A 1 164 ? 2.819 -3.428 21.214 1.00 63.68 164 A 1 ATOM 1333 C CZ . ARG A 1 164 ? 2.279 -2.952 22.313 1.00 56.58 164 A 1 ATOM 1334 N NH1 . ARG A 1 164 ? 1.493 -1.914 22.328 1.00 51.41 164 A 1 ATOM 1335 N NH2 . ARG A 1 164 ? 2.505 -3.525 23.437 1.00 46.82 164 A 1 ATOM 1336 N N . ILE A 1 165 ? 2.773 -5.508 15.480 1.00 88.45 165 A 1 ATOM 1337 C CA . ILE A 1 165 ? 2.613 -6.915 15.085 1.00 88.11 165 A 1 ATOM 1338 C C . ILE A 1 165 ? 3.796 -7.358 14.221 1.00 87.39 165 A 1 ATOM 1339 O O . ILE A 1 165 ? 4.341 -8.435 14.453 1.00 85.91 165 A 1 ATOM 1340 C CB . ILE A 1 165 ? 1.270 -7.116 14.351 1.00 88.76 165 A 1 ATOM 1341 C CG1 . ILE A 1 165 ? 0.095 -6.999 15.350 1.00 87.64 165 A 1 ATOM 1342 C CG2 . ILE A 1 165 ? 1.212 -8.482 13.637 1.00 86.84 165 A 1 ATOM 1343 C CD1 . ILE A 1 165 ? -1.262 -6.811 14.658 1.00 83.62 165 A 1 ATOM 1344 N N . ALA A 1 166 ? 4.215 -6.533 13.254 1.00 88.83 166 A 1 ATOM 1345 C CA . ALA A 1 166 ? 5.340 -6.848 12.384 1.00 87.94 166 A 1 ATOM 1346 C C . ALA A 1 166 ? 6.640 -7.071 13.174 1.00 87.55 166 A 1 ATOM 1347 O O . ALA A 1 166 ? 7.306 -8.084 12.958 1.00 86.27 166 A 1 ATOM 1348 C CB . ALA A 1 166 ? 5.475 -5.730 11.345 1.00 87.94 166 A 1 ATOM 1349 N N . SER A 1 167 ? 6.947 -6.204 14.134 1.00 87.27 167 A 1 ATOM 1350 C CA . SER A 1 167 ? 8.139 -6.358 14.979 1.00 86.16 167 A 1 ATOM 1351 C C . SER A 1 167 ? 8.052 -7.595 15.883 1.00 85.21 167 A 1 ATOM 1352 O O . SER A 1 167 ? 8.959 -8.419 15.908 1.00 84.09 167 A 1 ATOM 1353 C CB . SER A 1 167 ? 8.365 -5.075 15.779 1.00 86.07 167 A 1 ATOM 1354 O OG . SER A 1 167 ? 9.547 -5.139 16.547 1.00 75.37 167 A 1 ATOM 1355 N N . VAL A 1 168 ? 6.929 -7.814 16.568 1.00 86.26 168 A 1 ATOM 1356 C CA . VAL A 1 168 ? 6.799 -8.885 17.582 1.00 84.59 168 A 1 ATOM 1357 C C . VAL A 1 168 ? 6.667 -10.287 16.975 1.00 84.00 168 A 1 ATOM 1358 O O . VAL A 1 168 ? 7.177 -11.258 17.537 1.00 81.85 168 A 1 ATOM 1359 C CB . VAL A 1 168 ? 5.613 -8.580 18.516 1.00 84.29 168 A 1 ATOM 1360 C CG1 . VAL A 1 168 ? 5.314 -9.721 19.503 1.00 79.56 168 A 1 ATOM 1361 C CG2 . VAL A 1 168 ? 5.886 -7.321 19.353 1.00 79.73 168 A 1 ATOM 1362 N N . TYR A 1 169 ? 5.941 -10.435 15.866 1.00 85.21 169 A 1 ATOM 1363 C CA . TYR A 1 169 ? 5.613 -11.749 15.301 1.00 83.51 169 A 1 ATOM 1364 C C . TYR A 1 169 ? 6.424 -12.121 14.065 1.00 83.18 169 A 1 ATOM 1365 O O . TYR A 1 169 ? 6.510 -13.312 13.749 1.00 80.59 169 A 1 ATOM 1366 C CB . TYR A 1 169 ? 4.114 -11.830 14.989 1.00 83.09 169 A 1 ATOM 1367 C CG . TYR A 1 169 ? 3.242 -11.895 16.224 1.00 81.43 169 A 1 ATOM 1368 C CD1 . TYR A 1 169 ? 3.021 -13.140 16.853 1.00 76.46 169 A 1 ATOM 1369 C CD2 . TYR A 1 169 ? 2.662 -10.728 16.750 1.00 76.62 169 A 1 ATOM 1370 C CE1 . TYR A 1 169 ? 2.222 -13.214 18.008 1.00 73.89 169 A 1 ATOM 1371 C CE2 . TYR A 1 169 ? 1.863 -10.797 17.909 1.00 73.72 169 A 1 ATOM 1372 C CZ . TYR A 1 169 ? 1.643 -12.041 18.538 1.00 76.06 169 A 1 ATOM 1373 O OH . TYR A 1 169 ? 0.877 -12.112 19.660 1.00 74.19 169 A 1 ATOM 1374 N N . PHE A 1 170 ? 6.994 -11.132 13.371 1.00 84.73 170 A 1 ATOM 1375 C CA . PHE A 1 170 ? 7.691 -11.351 12.110 1.00 84.47 170 A 1 ATOM 1376 C C . PHE A 1 170 ? 9.147 -10.868 12.113 1.00 84.04 170 A 1 ATOM 1377 O O . PHE A 1 170 ? 9.803 -11.006 11.082 1.00 81.49 170 A 1 ATOM 1378 C CB . PHE A 1 170 ? 6.878 -10.733 10.959 1.00 84.76 170 A 1 ATOM 1379 C CG . PHE A 1 170 ? 5.415 -11.145 10.899 1.00 84.99 170 A 1 ATOM 1380 C CD1 . PHE A 1 170 ? 5.064 -12.468 10.580 1.00 80.64 170 A 1 ATOM 1381 C CD2 . PHE A 1 170 ? 4.401 -10.211 11.177 1.00 81.80 170 A 1 ATOM 1382 C CE1 . PHE A 1 170 ? 3.708 -12.851 10.544 1.00 79.68 170 A 1 ATOM 1383 C CE2 . PHE A 1 170 ? 3.046 -10.594 11.141 1.00 80.03 170 A 1 ATOM 1384 C CZ . PHE A 1 170 ? 2.699 -11.915 10.825 1.00 82.14 170 A 1 ATOM 1385 N N . ASP A 1 171 ? 9.652 -10.338 13.232 1.00 84.34 171 A 1 ATOM 1386 C CA . ASP A 1 171 ? 10.999 -9.766 13.357 1.00 84.54 171 A 1 ATOM 1387 C C . ASP A 1 171 ? 11.278 -8.686 12.290 1.00 85.91 171 A 1 ATOM 1388 O O . ASP A 1 171 ? 12.340 -8.637 11.665 1.00 84.14 171 A 1 ATOM 1389 C CB . ASP A 1 171 ? 12.066 -10.879 13.415 1.00 82.16 171 A 1 ATOM 1390 C CG . ASP A 1 171 ? 11.897 -11.859 14.587 1.00 75.23 171 A 1 ATOM 1391 O OD1 . ASP A 1 171 ? 11.707 -11.393 15.734 1.00 70.29 171 A 1 ATOM 1392 O OD2 . ASP A 1 171 ? 12.000 -13.088 14.346 1.00 68.25 171 A 1 ATOM 1393 N N . ILE A 1 172 ? 10.276 -7.846 12.020 1.00 84.74 172 A 1 ATOM 1394 C CA . ILE A 1 172 ? 10.357 -6.745 11.053 1.00 85.94 172 A 1 ATOM 1395 C C . ILE A 1 172 ? 10.329 -5.422 11.816 1.00 86.06 172 A 1 ATOM 1396 O O . ILE A 1 172 ? 9.271 -4.989 12.269 1.00 84.40 172 A 1 ATOM 1397 C CB . ILE A 1 172 ? 9.206 -6.801 10.024 1.00 85.48 172 A 1 ATOM 1398 C CG1 . ILE A 1 172 ? 9.217 -8.101 9.193 1.00 84.25 172 A 1 ATOM 1399 C CG2 . ILE A 1 172 ? 9.288 -5.585 9.074 1.00 83.30 172 A 1 ATOM 1400 C CD1 . ILE A 1 172 ? 7.892 -8.348 8.455 1.00 79.98 172 A 1 ATOM 1401 N N . ASP A 1 173 ? 11.469 -4.743 11.867 1.00 85.18 173 A 1 ATOM 1402 C CA . ASP A 1 173 ? 11.579 -3.410 12.486 1.00 84.60 173 A 1 ATOM 1403 C C . ASP A 1 173 ? 11.413 -2.257 11.478 1.00 84.27 173 A 1 ATOM 1404 O O . ASP A 1 173 ? 11.437 -1.077 11.834 1.00 81.04 173 A 1 ATOM 1405 C CB . ASP A 1 173 ? 12.915 -3.317 13.235 1.00 83.14 173 A 1 ATOM 1406 C CG . ASP A 1 173 ? 13.030 -4.326 14.383 1.00 78.36 173 A 1 ATOM 1407 O OD1 . ASP A 1 173 ? 12.002 -4.569 15.076 1.00 72.34 173 A 1 ATOM 1408 O OD2 . ASP A 1 173 ? 14.157 -4.832 14.570 1.00 72.26 173 A 1 ATOM 1409 N N . GLU A 1 174 ? 11.245 -2.588 10.192 1.00 83.74 174 A 1 ATOM 1410 C CA . GLU A 1 174 ? 10.955 -1.613 9.139 1.00 83.60 174 A 1 ATOM 1411 C C . GLU A 1 174 ? 9.458 -1.270 9.107 1.00 84.66 174 A 1 ATOM 1412 O O . GLU A 1 174 ? 8.600 -2.119 9.339 1.00 83.14 174 A 1 ATOM 1413 C CB . GLU A 1 174 ? 11.416 -2.142 7.766 1.00 80.84 174 A 1 ATOM 1414 C CG . GLU A 1 174 ? 12.944 -2.267 7.637 1.00 74.58 174 A 1 ATOM 1415 C CD . GLU A 1 174 ? 13.362 -2.846 6.271 1.00 71.96 174 A 1 ATOM 1416 O OE1 . GLU A 1 174 ? 14.128 -3.837 6.244 1.00 63.84 174 A 1 ATOM 1417 O OE2 . GLU A 1 174 ? 12.916 -2.329 5.216 1.00 64.45 174 A 1 ATOM 1418 N N . LYS A 1 175 ? 9.127 -0.024 8.739 1.00 82.81 175 A 1 ATOM 1419 C CA . LYS A 1 175 ? 7.734 0.406 8.599 1.00 82.52 175 A 1 ATOM 1420 C C . LYS A 1 175 ? 7.012 -0.424 7.529 1.00 83.57 175 A 1 ATOM 1421 O O . LYS A 1 175 ? 7.451 -0.495 6.379 1.00 82.20 175 A 1 ATOM 1422 C CB . LYS A 1 175 ? 7.656 1.924 8.318 1.00 80.10 175 A 1 ATOM 1423 C CG . LYS A 1 175 ? 6.187 2.392 8.247 1.00 74.02 175 A 1 ATOM 1424 C CD . LYS A 1 175 ? 5.982 3.913 8.116 1.00 71.56 175 A 1 ATOM 1425 C CE . LYS A 1 175 ? 4.454 4.115 8.052 1.00 64.85 175 A 1 ATOM 1426 N NZ . LYS A 1 175 ? 3.976 5.523 8.105 1.00 58.98 175 A 1 ATOM 1427 N N . ILE A 1 176 ? 5.858 -0.990 7.896 1.00 82.86 176 A 1 ATOM 1428 C CA . ILE A 1 176 ? 4.954 -1.658 6.954 1.00 83.37 176 A 1 ATOM 1429 C C . ILE A 1 176 ? 4.153 -0.600 6.193 1.00 81.84 176 A 1 ATOM 1430 O O . ILE A 1 176 ? 3.431 0.197 6.785 1.00 79.96 176 A 1 ATOM 1431 C CB . ILE A 1 176 ? 4.020 -2.646 7.680 1.00 84.71 176 A 1 ATOM 1432 C CG1 . ILE A 1 176 ? 4.783 -3.676 8.543 1.00 83.77 176 A 1 ATOM 1433 C CG2 . ILE A 1 176 ? 3.102 -3.367 6.678 1.00 83.95 176 A 1 ATOM 1434 C CD1 . ILE A 1 176 ? 5.781 -4.548 7.782 1.00 79.08 176 A 1 ATOM 1435 N N . VAL A 1 177 ? 4.232 -0.628 4.865 1.00 81.36 177 A 1 ATOM 1436 C CA . VAL A 1 177 ? 3.413 0.231 4.004 1.00 79.89 177 A 1 ATOM 1437 C C . VAL A 1 177 ? 2.108 -0.480 3.670 1.00 80.78 177 A 1 ATOM 1438 O O . VAL A 1 177 ? 2.114 -1.572 3.109 1.00 79.45 177 A 1 ATOM 1439 C CB . VAL A 1 177 ? 4.188 0.647 2.745 1.00 76.69 177 A 1 ATOM 1440 C CG1 . VAL A 1 177 ? 3.311 1.465 1.792 1.00 69.40 177 A 1 ATOM 1441 C CG2 . VAL A 1 177 ? 5.393 1.518 3.138 1.00 69.64 177 A 1 ATOM 1442 N N . VAL A 1 178 ? 0.973 0.148 3.994 1.00 79.93 178 A 1 ATOM 1443 C CA . VAL A 1 178 ? -0.355 -0.377 3.654 1.00 78.74 178 A 1 ATOM 1444 C C . VAL A 1 178 ? -0.690 0.002 2.211 1.00 76.32 178 A 1 ATOM 1445 O O . VAL A 1 178 ? -0.655 1.171 1.848 1.00 73.80 178 A 1 ATOM 1446 C CB . VAL A 1 178 ? -1.426 0.102 4.644 1.00 79.14 178 A 1 ATOM 1447 C CG1 . VAL A 1 178 ? -2.769 -0.586 4.363 1.00 76.50 178 A 1 ATOM 1448 C CG2 . VAL A 1 178 ? -1.019 -0.228 6.089 1.00 77.70 178 A 1 ATOM 1449 N N . CYS A 1 179 ? -0.987 -0.998 1.382 1.00 74.20 179 A 1 ATOM 1450 C CA . CYS A 1 179 ? -1.277 -0.835 -0.040 1.00 71.64 179 A 1 ATOM 1451 C C . CYS A 1 179 ? -2.634 -1.452 -0.399 1.00 71.21 179 A 1 ATOM 1452 O O . CYS A 1 179 ? -2.938 -2.569 0.007 1.00 68.00 179 A 1 ATOM 1453 C CB . CYS A 1 179 ? -0.173 -1.510 -0.861 1.00 69.00 179 A 1 ATOM 1454 S SG . CYS A 1 179 ? 1.450 -0.724 -0.633 1.00 61.94 179 A 1 ATOM 1455 N N . GLY A 1 180 ? -3.424 -0.771 -1.213 1.00 66.88 180 A 1 ATOM 1456 C CA . GLY A 1 180 ? -4.695 -1.298 -1.721 1.00 65.00 180 A 1 ATOM 1457 C C . GLY A 1 180 ? -5.797 -1.456 -0.666 1.00 66.71 180 A 1 ATOM 1458 O O . GLY A 1 180 ? -6.780 -2.153 -0.915 1.00 64.26 180 A 1 ATOM 1459 N N . TYR A 1 181 ? -5.619 -0.845 0.502 1.00 67.47 181 A 1 ATOM 1460 C CA . TYR A 1 181 ? -6.587 -0.810 1.589 1.00 70.08 181 A 1 ATOM 1461 C C . TYR A 1 181 ? -6.523 0.555 2.281 1.00 70.76 181 A 1 ATOM 1462 O O . TYR A 1 181 ? -5.439 1.057 2.555 1.00 69.98 181 A 1 ATOM 1463 C CB . TYR A 1 181 ? -6.304 -1.954 2.567 1.00 70.36 181 A 1 ATOM 1464 C CG . TYR A 1 181 ? -7.412 -2.168 3.577 1.00 70.95 181 A 1 ATOM 1465 C CD1 . TYR A 1 181 ? -7.413 -1.458 4.794 1.00 67.52 181 A 1 ATOM 1466 C CD2 . TYR A 1 181 ? -8.467 -3.055 3.285 1.00 68.07 181 A 1 ATOM 1467 C CE1 . TYR A 1 181 ? -8.462 -1.631 5.714 1.00 64.84 181 A 1 ATOM 1468 C CE2 . TYR A 1 181 ? -9.519 -3.235 4.203 1.00 65.00 181 A 1 ATOM 1469 C CZ . TYR A 1 181 ? -9.518 -2.522 5.418 1.00 67.09 181 A 1 ATOM 1470 O OH . TYR A 1 181 ? -10.533 -2.689 6.310 1.00 65.34 181 A 1 ATOM 1471 N N . GLU A 1 182 ? -7.676 1.148 2.534 1.00 70.43 182 A 1 ATOM 1472 C CA . GLU A 1 182 ? -7.779 2.417 3.259 1.00 71.97 182 A 1 ATOM 1473 C C . GLU A 1 182 ? -7.941 2.111 4.751 1.00 75.17 182 A 1 ATOM 1474 O O . GLU A 1 182 ? -8.906 1.449 5.140 1.00 74.25 182 A 1 ATOM 1475 C CB . GLU A 1 182 ? -8.941 3.230 2.667 1.00 67.99 182 A 1 ATOM 1476 C CG . GLU A 1 182 ? -8.990 4.688 3.164 1.00 60.07 182 A 1 ATOM 1477 C CD . GLU A 1 182 ? -10.101 5.518 2.472 1.00 56.06 182 A 1 ATOM 1478 O OE1 . GLU A 1 182 ? -10.155 6.742 2.706 1.00 51.39 182 A 1 ATOM 1479 O OE2 . GLU A 1 182 ? -10.914 4.935 1.705 1.00 49.72 182 A 1 ATOM 1480 N N . LEU A 1 183 ? -6.984 2.534 5.561 1.00 76.12 183 A 1 ATOM 1481 C CA . LEU A 1 183 ? -7.098 2.415 7.013 1.00 78.99 183 A 1 ATOM 1482 C C . LEU A 1 183 ? -8.226 3.329 7.520 1.00 78.93 183 A 1 ATOM 1483 O O . LEU A 1 183 ? -8.430 4.410 6.964 1.00 77.75 183 A 1 ATOM 1484 C CB . LEU A 1 183 ? -5.762 2.748 7.701 1.00 80.02 183 A 1 ATOM 1485 C CG . LEU A 1 183 ? -4.626 1.745 7.441 1.00 80.67 183 A 1 ATOM 1486 C CD1 . LEU A 1 183 ? -3.360 2.213 8.160 1.00 76.94 183 A 1 ATOM 1487 C CD2 . LEU A 1 183 ? -4.963 0.336 7.941 1.00 77.61 183 A 1 ATOM 1488 N N . PRO A 1 184 ? -8.963 2.915 8.563 1.00 81.32 184 A 1 ATOM 1489 C CA . PRO A 1 184 ? -9.902 3.813 9.209 1.00 80.79 184 A 1 ATOM 1490 C C . PRO A 1 184 ? -9.161 5.067 9.705 1.00 80.96 184 A 1 ATOM 1491 O O . PRO A 1 184 ? -7.993 4.974 10.083 1.00 78.46 184 A 1 ATOM 1492 C CB . PRO A 1 184 ? -10.532 3.008 10.349 1.00 78.22 184 A 1 ATOM 1493 C CG . PRO A 1 184 ? -9.470 1.960 10.679 1.00 77.72 184 A 1 ATOM 1494 C CD . PRO A 1 184 ? -8.811 1.685 9.330 1.00 81.79 184 A 1 ATOM 1495 N N . PRO A 1 185 ? -9.809 6.246 9.685 1.00 77.27 185 A 1 ATOM 1496 C CA . PRO A 1 185 ? -9.192 7.449 10.220 1.00 76.11 185 A 1 ATOM 1497 C C . PRO A 1 185 ? -8.820 7.210 11.685 1.00 75.64 185 A 1 ATOM 1498 O O . PRO A 1 185 ? -9.658 6.756 12.464 1.00 71.46 185 A 1 ATOM 1499 C CB . PRO A 1 185 ? -10.227 8.565 10.041 1.00 73.45 185 A 1 ATOM 1500 C CG . PRO A 1 185 ? -11.562 7.818 9.973 1.00 72.92 185 A 1 ATOM 1501 C CD . PRO A 1 185 ? -11.197 6.488 9.323 1.00 77.71 185 A 1 ATOM 1502 N N . GLU A 1 186 ? -7.570 7.502 12.046 1.00 72.14 186 A 1 ATOM 1503 C CA . GLU A 1 186 ? -7.169 7.498 13.451 1.00 71.44 186 A 1 ATOM 1504 C C . GLU A 1 186 ? -8.013 8.552 14.183 1.00 69.47 186 A 1 ATOM 1505 O O . GLU A 1 186 ? -7.887 9.754 13.926 1.00 65.59 186 A 1 ATOM 1506 C CB . GLU A 1 186 ? -5.662 7.769 13.622 1.00 68.33 186 A 1 ATOM 1507 C CG . GLU A 1 186 ? -4.769 6.606 13.149 1.00 63.64 186 A 1 ATOM 1508 C CD . GLU A 1 186 ? -3.266 6.798 13.460 1.00 62.28 186 A 1 ATOM 1509 O OE1 . GLU A 1 186 ? -2.517 5.795 13.370 1.00 57.97 186 A 1 ATOM 1510 O OE2 . GLU A 1 186 ? -2.855 7.934 13.798 1.00 59.97 186 A 1 ATOM 1511 N N . GLU A 1 187 ? -8.903 8.109 15.072 1.00 68.85 187 A 1 ATOM 1512 C CA . GLU A 1 187 ? -9.424 9.022 16.084 1.00 67.54 187 A 1 ATOM 1513 C C . GLU A 1 187 ? -8.207 9.523 16.857 1.00 65.43 187 A 1 ATOM 1514 O O . GLU A 1 187 ? -7.447 8.741 17.423 1.00 60.75 187 A 1 ATOM 1515 C CB . GLU A 1 187 ? -10.463 8.355 17.000 1.00 64.01 187 A 1 ATOM 1516 C CG . GLU A 1 187 ? -11.803 8.132 16.269 1.00 57.16 187 A 1 ATOM 1517 C CD . GLU A 1 187 ? -12.961 7.685 17.188 1.00 54.14 187 A 1 ATOM 1518 O OE1 . GLU A 1 187 ? -14.115 7.721 16.699 1.00 51.02 187 A 1 ATOM 1519 O OE2 . GLU A 1 187 ? -12.705 7.335 18.356 1.00 50.45 187 A 1 ATOM 1520 N N . LYS A 1 188 ? -7.976 10.844 16.825 1.00 57.57 188 A 1 ATOM 1521 C CA . LYS A 1 188 ? -6.956 11.460 17.671 1.00 56.69 188 A 1 ATOM 1522 C C . LYS A 1 188 ? -7.275 11.033 19.095 1.00 54.17 188 A 1 ATOM 1523 O O . LYS A 1 188 ? -8.253 11.520 19.655 1.00 51.35 188 A 1 ATOM 1524 C CB . LYS A 1 188 ? -6.984 12.991 17.561 1.00 53.65 188 A 1 ATOM 1525 C CG . LYS A 1 188 ? -6.391 13.499 16.246 1.00 48.09 188 A 1 ATOM 1526 C CD . LYS A 1 188 ? -6.409 15.032 16.254 1.00 46.00 188 A 1 ATOM 1527 C CE . LYS A 1 188 ? -5.781 15.563 14.967 1.00 41.23 188 A 1 ATOM 1528 N NZ . LYS A 1 188 ? -5.793 17.043 14.951 1.00 37.21 188 A 1 ATOM 1529 N N . ALA A 1 189 ? -6.465 10.130 19.642 1.00 49.68 189 A 1 ATOM 1530 C CA . ALA A 1 189 ? -6.520 9.799 21.048 1.00 49.66 189 A 1 ATOM 1531 C C . ALA A 1 189 ? -6.292 11.109 21.809 1.00 49.60 189 A 1 ATOM 1532 O O . ALA A 1 189 ? -5.167 11.603 21.905 1.00 47.58 189 A 1 ATOM 1533 C CB . ALA A 1 189 ? -5.479 8.716 21.355 1.00 46.67 189 A 1 ATOM 1534 N N . GLU A 1 190 ? -7.379 11.735 22.259 1.00 46.10 190 A 1 ATOM 1535 C CA . GLU A 1 190 ? -7.262 12.650 23.381 1.00 49.29 190 A 1 ATOM 1536 C C . GLU A 1 190 ? -6.564 11.846 24.476 1.00 48.38 190 A 1 ATOM 1537 O O . GLU A 1 190 ? -6.903 10.686 24.713 1.00 46.59 190 A 1 ATOM 1538 C CB . GLU A 1 190 ? -8.629 13.187 23.824 1.00 47.84 190 A 1 ATOM 1539 C CG . GLU A 1 190 ? -9.197 14.190 22.795 1.00 41.80 190 A 1 ATOM 1540 C CD . GLU A 1 190 ? -10.465 14.927 23.269 1.00 37.80 190 A 1 ATOM 1541 O OE1 . GLU A 1 190 ? -10.785 15.963 22.634 1.00 35.45 190 A 1 ATOM 1542 O OE2 . GLU A 1 190 ? -11.094 14.491 24.253 1.00 38.75 190 A 1 ATOM 1543 N N . ALA A 1 191 ? -5.519 12.416 25.064 1.00 44.63 191 A 1 ATOM 1544 C CA . ALA A 1 191 ? -4.784 11.807 26.161 1.00 46.63 191 A 1 ATOM 1545 C C . ALA A 1 191 ? -5.750 11.635 27.341 1.00 46.54 191 A 1 ATOM 1546 O O . ALA A 1 191 ? -5.899 12.525 28.171 1.00 45.96 191 A 1 ATOM 1547 C CB . ALA A 1 191 ? -3.575 12.692 26.486 1.00 44.39 191 A 1 ATOM 1548 N N . ILE A 1 192 ? -6.452 10.504 27.354 1.00 45.00 192 A 1 ATOM 1549 C CA . ILE A 1 192 ? -7.263 10.082 28.479 1.00 47.09 192 A 1 ATOM 1550 C C . ILE A 1 192 ? -6.324 9.231 29.330 1.00 46.38 192 A 1 ATOM 1551 O O . ILE A 1 192 ? -5.932 8.136 28.941 1.00 45.03 192 A 1 ATOM 1552 C CB . ILE A 1 192 ? -8.562 9.370 28.029 1.00 45.56 192 A 1 ATOM 1553 C CG1 . ILE A 1 192 ? -9.338 10.189 26.967 1.00 41.01 192 A 1 ATOM 1554 C CG2 . ILE A 1 192 ? -9.461 9.159 29.256 1.00 40.76 192 A 1 ATOM 1555 C CD1 . ILE A 1 192 ? -10.620 9.519 26.441 1.00 38.77 192 A 1 ATOM 1556 N N . GLU A 1 193 ? -5.913 9.764 30.467 1.00 37.04 193 A 1 ATOM 1557 C CA . GLU A 1 193 ? -5.450 8.943 31.586 1.00 39.67 193 A 1 ATOM 1558 C C . GLU A 1 193 ? -6.605 7.993 31.939 1.00 38.52 193 A 1 ATOM 1559 O O . GLU A 1 193 ? -7.565 8.393 32.595 1.00 38.61 193 A 1 ATOM 1560 C CB . GLU A 1 193 ? -5.083 9.827 32.798 1.00 39.57 193 A 1 ATOM 1561 C CG . GLU A 1 193 ? -3.739 10.560 32.668 1.00 35.26 193 A 1 ATOM 1562 C CD . GLU A 1 193 ? -3.373 11.396 33.918 1.00 33.09 193 A 1 ATOM 1563 O OE1 . GLU A 1 193 ? -2.159 11.629 34.132 1.00 30.96 193 A 1 ATOM 1564 O OE2 . GLU A 1 193 ? -4.295 11.828 34.647 1.00 34.26 193 A 1 ATOM 1565 N N . VAL A 1 194 ? -6.544 6.750 31.452 1.00 44.28 194 A 1 ATOM 1566 C CA . VAL A 1 194 ? -7.504 5.701 31.813 1.00 47.35 194 A 1 ATOM 1567 C C . VAL A 1 194 ? -6.758 4.589 32.531 1.00 46.96 194 A 1 ATOM 1568 O O . VAL A 1 194 ? -5.705 4.116 32.101 1.00 45.43 194 A 1 ATOM 1569 C CB . VAL A 1 194 ? -8.353 5.215 30.624 1.00 45.57 194 A 1 ATOM 1570 C CG1 . VAL A 1 194 ? -9.362 4.133 31.036 1.00 40.10 194 A 1 ATOM 1571 C CG2 . VAL A 1 194 ? -9.189 6.355 30.038 1.00 41.19 194 A 1 ATOM 1572 N N . GLU A 1 195 ? -7.319 4.246 33.681 1.00 38.17 195 A 1 ATOM 1573 C CA . GLU A 1 195 ? -6.965 3.136 34.556 1.00 41.34 195 A 1 ATOM 1574 C C . GLU A 1 195 ? -6.680 1.845 33.773 1.00 40.40 195 A 1 ATOM 1575 O O . GLU A 1 195 ? -7.345 1.545 32.790 1.00 40.38 195 A 1 ATOM 1576 C CB . GLU A 1 195 ? -8.151 2.903 35.517 1.00 40.48 195 A 1 ATOM 1577 C CG . GLU A 1 195 ? -8.354 4.065 36.511 1.00 36.05 195 A 1 ATOM 1578 C CD . GLU A 1 195 ? -9.623 3.905 37.377 1.00 34.07 195 A 1 ATOM 1579 O OE1 . GLU A 1 195 ? -9.521 4.157 38.600 1.00 31.22 195 A 1 ATOM 1580 O OE2 . GLU A 1 195 ? -10.680 3.563 36.816 1.00 35.19 195 A 1 ATOM 1581 N N . LEU A 1 196 ? -5.703 1.084 34.261 1.00 41.75 196 A 1 ATOM 1582 C CA . LEU A 1 196 ? -5.268 -0.243 33.821 1.00 43.94 196 A 1 ATOM 1583 C C . LEU A 1 196 ? -6.359 -1.093 33.123 1.00 44.05 196 A 1 ATOM 1584 O O . LEU A 1 196 ? -6.938 -2.005 33.730 1.00 42.59 196 A 1 ATOM 1585 C CB . LEU A 1 196 ? -4.733 -0.988 35.065 1.00 42.33 196 A 1 ATOM 1586 C CG . LEU A 1 196 ? -3.287 -0.638 35.464 1.00 37.65 196 A 1 ATOM 1587 C CD1 . LEU A 1 196 ? -3.196 -0.224 36.938 1.00 33.60 196 A 1 ATOM 1588 C CD2 . LEU A 1 196 ? -2.383 -1.857 35.264 1.00 37.13 196 A 1 ATOM 1589 N N . GLU A 1 197 ? -6.576 -0.871 31.835 1.00 45.43 197 A 1 ATOM 1590 C CA . GLU A 1 197 ? -6.973 -1.942 30.923 1.00 48.42 197 A 1 ATOM 1591 C C . GLU A 1 197 ? -5.709 -2.746 30.601 1.00 47.85 197 A 1 ATOM 1592 O O . GLU A 1 197 ? -4.639 -2.173 30.391 1.00 46.90 197 A 1 ATOM 1593 C CB . GLU A 1 197 ? -7.633 -1.395 29.650 1.00 47.19 197 A 1 ATOM 1594 C CG . GLU A 1 197 ? -9.100 -0.988 29.899 1.00 42.55 197 A 1 ATOM 1595 C CD . GLU A 1 197 ? -9.872 -0.644 28.611 1.00 39.41 197 A 1 ATOM 1596 O OE1 . GLU A 1 197 ? -11.123 -0.754 28.651 1.00 37.04 197 A 1 ATOM 1597 O OE2 . GLU A 1 197 ? -9.225 -0.303 27.598 1.00 38.14 197 A 1 ATOM 1598 N N . ILE A 1 198 ? -5.831 -4.069 30.616 1.00 48.87 198 A 1 ATOM 1599 C CA . ILE A 1 198 ? -4.761 -5.017 30.265 1.00 53.20 198 A 1 ATOM 1600 C C . ILE A 1 198 ? -4.054 -4.480 29.019 1.00 53.91 198 A 1 ATOM 1601 O O . ILE A 1 198 ? -4.663 -4.394 27.949 1.00 51.99 198 A 1 ATOM 1602 C CB . ILE A 1 198 ? -5.364 -6.415 30.010 1.00 51.61 198 A 1 ATOM 1603 C CG1 . ILE A 1 198 ? -6.028 -6.966 31.294 1.00 46.78 198 A 1 ATOM 1604 C CG2 . ILE A 1 198 ? -4.294 -7.399 29.503 1.00 47.07 198 A 1 ATOM 1605 C CD1 . ILE A 1 198 ? -6.829 -8.257 31.076 1.00 44.97 198 A 1 ATOM 1606 N N . SER A 1 199 ? -2.798 -4.064 29.182 1.00 52.07 199 A 1 ATOM 1607 C CA . SER A 1 199 ? -2.126 -3.312 28.139 1.00 56.35 199 A 1 ATOM 1608 C C . SER A 1 199 ? -1.996 -4.178 26.884 1.00 57.34 199 A 1 ATOM 1609 O O . SER A 1 199 ? -1.962 -5.410 26.951 1.00 55.78 199 A 1 ATOM 1610 C CB . SER A 1 199 ? -0.779 -2.763 28.633 1.00 53.03 199 A 1 ATOM 1611 O OG . SER A 1 199 ? 0.195 -3.781 28.683 1.00 45.78 199 A 1 ATOM 1612 N N . VAL A 1 200 ? -1.928 -3.555 25.706 1.00 54.08 200 A 1 ATOM 1613 C CA . VAL A 1 200 ? -1.642 -4.281 24.450 1.00 57.45 200 A 1 ATOM 1614 C C . VAL A 1 200 ? -0.372 -5.137 24.602 1.00 59.53 200 A 1 ATOM 1615 O O . VAL A 1 200 ? -0.288 -6.231 24.044 1.00 57.10 200 A 1 ATOM 1616 C CB . VAL A 1 200 ? -1.530 -3.268 23.292 1.00 54.98 200 A 1 ATOM 1617 C CG1 . VAL A 1 200 ? -1.216 -3.939 21.947 1.00 49.60 200 A 1 ATOM 1618 C CG2 . VAL A 1 200 ? -2.814 -2.455 23.104 1.00 51.22 200 A 1 ATOM 1619 N N . ASP A 1 201 ? 0.595 -4.693 25.427 1.00 52.12 201 A 1 ATOM 1620 C CA . ASP A 1 201 ? 1.757 -5.479 25.856 1.00 56.85 201 A 1 ATOM 1621 C C . ASP A 1 201 ? 1.357 -6.754 26.600 1.00 57.86 201 A 1 ATOM 1622 O O . ASP A 1 201 ? 1.907 -7.808 26.310 1.00 56.10 201 A 1 ATOM 1623 C CB . ASP A 1 201 ? 2.702 -4.645 26.753 1.00 54.85 201 A 1 ATOM 1624 C CG . ASP A 1 201 ? 3.438 -3.580 25.950 1.00 51.62 201 A 1 ATOM 1625 O OD1 . ASP A 1 201 ? 4.182 -3.975 25.024 1.00 48.42 201 A 1 ATOM 1626 O OD2 . ASP A 1 201 ? 3.164 -2.376 26.121 1.00 48.51 201 A 1 ATOM 1627 N N . ASP A 1 202 ? 0.384 -6.708 27.511 1.00 56.19 202 A 1 ATOM 1628 C CA . ASP A 1 202 ? -0.045 -7.879 28.281 1.00 60.42 202 A 1 ATOM 1629 C C . ASP A 1 202 ? -0.799 -8.896 27.418 1.00 60.71 202 A 1 ATOM 1630 O O . ASP A 1 202 ? -0.635 -10.100 27.611 1.00 59.40 202 A 1 ATOM 1631 C CB . ASP A 1 202 ? -0.921 -7.463 29.472 1.00 59.05 202 A 1 ATOM 1632 C CG . ASP A 1 202 ? -0.180 -6.605 30.497 1.00 57.04 202 A 1 ATOM 1633 O OD1 . ASP A 1 202 ? 0.929 -7.012 30.901 1.00 53.80 202 A 1 ATOM 1634 O OD2 . ASP A 1 202 ? -0.741 -5.548 30.862 1.00 54.54 202 A 1 ATOM 1635 N N . GLN A 1 203 ? -1.585 -8.458 26.428 1.00 60.62 203 A 1 ATOM 1636 C CA . GLN A 1 203 ? -2.229 -9.372 25.476 1.00 63.20 203 A 1 ATOM 1637 C C . GLN A 1 203 ? -1.190 -10.071 24.588 1.00 63.19 203 A 1 ATOM 1638 O O . GLN A 1 203 ? -1.218 -11.295 24.436 1.00 63.23 203 A 1 ATOM 1639 C CB . GLN A 1 203 ? -3.258 -8.631 24.607 1.00 62.48 203 A 1 ATOM 1640 C CG . GLN A 1 203 ? -4.460 -8.109 25.414 1.00 60.50 203 A 1 ATOM 1641 C CD . GLN A 1 203 ? -5.590 -7.592 24.521 1.00 56.66 203 A 1 ATOM 1642 O OE1 . GLN A 1 203 ? -5.579 -7.725 23.306 1.00 55.11 203 A 1 ATOM 1643 N NE2 . GLN A 1 203 ? -6.625 -7.013 25.086 1.00 52.33 203 A 1 ATOM 1644 N N . ILE A 1 204 ? -0.229 -9.309 24.063 1.00 56.25 204 A 1 ATOM 1645 C CA . ILE A 1 204 ? 0.887 -9.830 23.266 1.00 58.45 204 A 1 ATOM 1646 C C . ILE A 1 204 ? 1.795 -10.730 24.124 1.00 58.44 204 A 1 ATOM 1647 O O . ILE A 1 204 ? 2.159 -11.827 23.698 1.00 57.39 204 A 1 ATOM 1648 C CB . ILE A 1 204 ? 1.644 -8.647 22.612 1.00 57.53 204 A 1 ATOM 1649 C CG1 . ILE A 1 204 ? 0.753 -7.996 21.520 1.00 55.28 204 A 1 ATOM 1650 C CG2 . ILE A 1 204 ? 2.978 -9.097 22.004 1.00 55.64 204 A 1 ATOM 1651 C CD1 . ILE A 1 204 ? 1.326 -6.706 20.910 1.00 53.11 204 A 1 ATOM 1652 N N . PHE A 1 205 ? 2.119 -10.328 25.355 1.00 58.81 205 A 1 ATOM 1653 C CA . PHE A 1 205 ? 2.947 -11.084 26.293 1.00 60.48 205 A 1 ATOM 1654 C C . PHE A 1 205 ? 2.279 -12.396 26.730 1.00 59.63 205 A 1 ATOM 1655 O O . PHE A 1 205 ? 2.916 -13.448 26.704 1.00 58.17 205 A 1 ATOM 1656 C CB . PHE A 1 205 ? 3.267 -10.194 27.501 1.00 59.70 205 A 1 ATOM 1657 C CG . PHE A 1 205 ? 4.183 -10.842 28.516 1.00 57.88 205 A 1 ATOM 1658 C CD1 . PHE A 1 205 ? 3.659 -11.428 29.683 1.00 55.21 205 A 1 ATOM 1659 C CD2 . PHE A 1 205 ? 5.572 -10.855 28.290 1.00 54.85 205 A 1 ATOM 1660 C CE1 . PHE A 1 205 ? 4.522 -12.014 30.621 1.00 52.77 205 A 1 ATOM 1661 C CE2 . PHE A 1 205 ? 6.434 -11.442 29.226 1.00 52.75 205 A 1 ATOM 1662 C CZ . PHE A 1 205 ? 5.907 -12.021 30.394 1.00 53.45 205 A 1 ATOM 1663 N N . ASN A 1 206 ? 0.984 -12.390 27.045 1.00 57.12 206 A 1 ATOM 1664 C CA . ASN A 1 206 ? 0.243 -13.602 27.398 1.00 60.16 206 A 1 ATOM 1665 C C . ASN A 1 206 ? 0.127 -14.574 26.213 1.00 58.06 206 A 1 ATOM 1666 O O . ASN A 1 206 ? 0.244 -15.788 26.396 1.00 57.45 206 A 1 ATOM 1667 C CB . ASN A 1 206 ? -1.139 -13.205 27.945 1.00 60.19 206 A 1 ATOM 1668 C CG . ASN A 1 206 ? -1.070 -12.669 29.367 1.00 57.02 206 A 1 ATOM 1669 O OD1 . ASN A 1 206 ? -0.301 -13.134 30.189 1.00 54.18 206 A 1 ATOM 1670 N ND2 . ASN A 1 206 ? -1.893 -11.712 29.717 1.00 54.39 206 A 1 ATOM 1671 N N . ALA A 1 207 ? -0.027 -14.062 24.980 1.00 63.73 207 A 1 ATOM 1672 C CA . ALA A 1 207 ? 0.049 -14.883 23.771 1.00 63.83 207 A 1 ATOM 1673 C C . ALA A 1 207 ? 1.460 -15.468 23.544 1.00 62.97 207 A 1 ATOM 1674 O O . ALA A 1 207 ? 1.603 -16.568 23.009 1.00 61.41 207 A 1 ATOM 1675 C CB . ALA A 1 207 ? -0.414 -14.028 22.584 1.00 62.45 207 A 1 ATOM 1676 N N . PHE A 1 208 ? 2.513 -14.764 23.977 1.00 58.04 208 A 1 ATOM 1677 C CA . PHE A 1 208 ? 3.903 -15.216 23.912 1.00 58.40 208 A 1 ATOM 1678 C C . PHE A 1 208 ? 4.226 -16.275 24.982 1.00 56.72 208 A 1 ATOM 1679 O O . PHE A 1 208 ? 4.850 -17.294 24.674 1.00 55.14 208 A 1 ATOM 1680 C CB . PHE A 1 208 ? 4.822 -13.988 24.029 1.00 57.19 208 A 1 ATOM 1681 C CG . PHE A 1 208 ? 6.150 -14.135 23.318 1.00 55.00 208 A 1 ATOM 1682 C CD1 . PHE A 1 208 ? 7.248 -14.737 23.956 1.00 51.73 208 A 1 ATOM 1683 C CD2 . PHE A 1 208 ? 6.287 -13.638 22.005 1.00 52.40 208 A 1 ATOM 1684 C CE1 . PHE A 1 208 ? 8.480 -14.838 23.284 1.00 49.62 208 A 1 ATOM 1685 C CE2 . PHE A 1 208 ? 7.517 -13.740 21.337 1.00 49.74 208 A 1 ATOM 1686 C CZ . PHE A 1 208 ? 8.616 -14.340 21.975 1.00 49.03 208 A 1 ATOM 1687 N N . MET A 1 209 ? 3.763 -16.091 26.217 1.00 56.50 209 A 1 ATOM 1688 C CA . MET A 1 209 ? 3.994 -16.998 27.355 1.00 58.43 209 A 1 ATOM 1689 C C . MET A 1 209 ? 3.215 -18.319 27.248 1.00 55.88 209 A 1 ATOM 1690 O O . MET A 1 209 ? 3.677 -19.342 27.754 1.00 53.19 209 A 1 ATOM 1691 C CB . MET A 1 209 ? 3.656 -16.268 28.664 1.00 58.43 209 A 1 ATOM 1692 C CG . MET A 1 209 ? 4.687 -15.181 29.001 1.00 56.94 209 A 1 ATOM 1693 S SD . MET A 1 209 ? 6.372 -15.791 29.327 1.00 54.47 209 A 1 ATOM 1694 C CE . MET A 1 209 ? 6.141 -16.541 30.960 1.00 49.75 209 A 1 ATOM 1695 N N . ASN A 1 210 ? 2.101 -18.347 26.521 1.00 58.57 210 A 1 ATOM 1696 C CA . ASN A 1 210 ? 1.367 -19.576 26.191 1.00 60.25 210 A 1 ATOM 1697 C C . ASN A 1 210 ? 2.019 -20.399 25.053 1.00 56.91 210 A 1 ATOM 1698 O O . ASN A 1 210 ? 1.379 -21.291 24.484 1.00 54.54 210 A 1 ATOM 1699 C CB . ASN A 1 210 ? -0.108 -19.214 25.934 1.00 59.50 210 A 1 ATOM 1700 C CG . ASN A 1 210 ? -0.872 -18.909 27.215 1.00 55.83 210 A 1 ATOM 1701 O OD1 . ASN A 1 210 ? -0.677 -19.514 28.254 1.00 52.63 210 A 1 ATOM 1702 N ND2 . ASN A 1 210 ? -1.801 -17.986 27.175 1.00 52.74 210 A 1 ATOM 1703 N N . ARG A 1 211 ? 3.292 -20.135 24.708 1.00 52.69 211 A 1 ATOM 1704 C CA . ARG A 1 211 ? 4.122 -20.920 23.768 1.00 52.12 211 A 1 ATOM 1705 C C . ARG A 1 211 ? 4.699 -22.211 24.389 1.00 46.66 211 A 1 ATOM 1706 O O . ARG A 1 211 ? 5.713 -22.702 23.897 1.00 42.94 211 A 1 ATOM 1707 C CB . ARG A 1 211 ? 5.245 -20.039 23.161 1.00 50.51 211 A 1 ATOM 1708 C CG . ARG A 1 211 ? 4.765 -19.017 22.117 1.00 48.59 211 A 1 ATOM 1709 C CD . ARG A 1 211 ? 5.987 -18.259 21.561 1.00 47.43 211 A 1 ATOM 1710 N NE . ARG A 1 211 ? 5.628 -17.323 20.472 1.00 43.46 211 A 1 ATOM 1711 C CZ . ARG A 1 211 ? 6.480 -16.622 19.732 1.00 41.44 211 A 1 ATOM 1712 N NH1 . ARG A 1 211 ? 7.768 -16.695 19.897 1.00 38.88 211 A 1 ATOM 1713 N NH2 . ARG A 1 211 ? 6.054 -15.816 18.798 1.00 37.51 211 A 1 ATOM 1714 N N . GLY A 1 212 ? 4.065 -22.740 25.468 1.00 47.38 212 A 1 ATOM 1715 C CA . GLY A 1 212 ? 4.419 -24.037 26.048 1.00 47.40 212 A 1 ATOM 1716 C C . GLY A 1 212 ? 4.204 -25.204 25.087 1.00 42.05 212 A 1 ATOM 1717 O O . GLY A 1 212 ? 3.157 -25.217 24.412 1.00 37.15 212 A 1 ATOM 1718 O OXT . GLY A 1 212 ? 5.118 -26.059 25.051 1.00 42.66 212 A 1 #