# 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_surt # _entry.id surt # 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 GLY 2 1 n HIS 3 1 n SER 4 1 n VAL 5 1 n GLU 6 1 n GLN 7 1 n TRP 8 1 n THR 9 1 n ASN 10 1 n SER 11 1 n ILE 12 1 n MET 13 1 n ALA 14 1 n GLN 15 1 n MET 16 1 n PRO 17 1 n ARG 18 1 n GLY 19 1 n ILE 20 1 n LEU 21 1 n TRP 22 1 n GLN 23 1 n ARG 24 1 n SER 25 1 n ALA 26 1 n SER 27 1 n LEU 28 1 n ASP 29 1 n LEU 30 1 n TYR 31 1 n LYS 32 1 n TYR 33 1 n ALA 34 1 n ALA 35 1 n GLY 36 1 n TYR 37 1 n ALA 38 1 n PRO 39 1 n ARG 40 1 n LEU 41 1 n GLU 42 1 n ALA 43 1 n VAL 44 1 n GLU 45 1 n VAL 46 1 n SER 47 1 n ALA 48 1 n ASP 49 1 n SER 50 1 n LEU 51 1 n LEU 52 1 n LEU 53 1 n GLU 54 1 n MET 55 1 n ARG 56 1 n PRO 57 1 n GLU 58 1 n ASN 59 1 n THR 60 1 n GLN 61 1 n GLN 62 1 n LEU 63 1 n LEU 64 1 n ASP 65 1 n GLU 66 1 n TRP 67 1 n GLU 68 1 n GLU 69 1 n TYR 70 1 n LEU 71 1 n GLY 72 1 n LEU 73 1 n PRO 74 1 n GLU 75 1 n CYS 76 1 n GLN 77 1 n VAL 78 1 n GLN 79 1 n ASN 80 1 n GLN 81 1 n THR 82 1 n PHE 83 1 n GLU 84 1 n SER 85 1 n ARG 86 1 n ARG 87 1 n ALA 88 1 n ALA 89 1 n VAL 90 1 n VAL 91 1 n GLU 92 1 n LYS 93 1 n TYR 94 1 n HIS 95 1 n ARG 96 1 n LYS 97 1 n GLY 98 1 n GLY 99 1 n LEU 100 1 n GLN 101 1 n ALA 102 1 n TRP 103 1 n ASN 104 1 n ILE 105 1 n ASP 106 1 n LYS 107 1 n LEU 108 1 n GLY 109 1 n ALA 110 1 n ASP 111 1 n LEU 112 1 n GLY 113 1 n PHE 114 1 n GLU 115 1 n ILE 116 1 n GLU 117 1 n VAL 118 1 n GLU 119 1 n GLU 120 1 n ILE 121 1 n PHE 122 1 n PRO 123 1 n HIS 124 1 n HIS 125 1 n CYS 126 1 n LEU 127 1 n ARG 128 1 n GLY 129 1 n CYS 130 1 n THR 131 1 n TYR 132 1 n PRO 133 1 n LEU 134 1 n TYR 135 1 n GLU 136 1 n GLU 137 1 n LYS 138 1 n TYR 139 1 n ARG 140 1 n HIS 141 1 n LEU 142 1 n LEU 143 1 n ARG 144 1 n ILE 145 1 n HIS 146 1 n VAL 147 1 n ARG 148 1 n GLY 149 1 n ILE 150 1 n THR 151 1 n GLN 152 1 n ALA 153 1 n TYR 154 1 n ALA 155 1 n THR 156 1 n CYS 157 1 n LEU 158 1 n ASP 159 1 n ASP 160 1 n CYS 161 1 n LEU 162 1 n THR 163 1 n PRO 164 1 n LEU 165 1 n VAL 166 1 n SER 167 1 n GLN 168 1 n THR 169 1 n ALA 170 1 n ALA 171 1 n ILE 172 1 n LEU 173 1 n GLU 174 1 n CYS 175 1 n THR 176 1 n LEU 177 1 n ASN 178 1 n GLN 179 1 n PHE 180 1 n LYS 181 1 n LEU 182 1 n GLY 183 1 n GLY 184 1 n LYS 185 1 n TYR 186 1 n TYR 187 1 n GLU 188 1 n PHE 189 1 n ILE 190 1 n TYR 191 1 n GLU 192 1 n GLU 193 1 n SER 194 1 n VAL 195 # _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 01:10:02)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 81.96 _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 69.88 1 1 A GLY 2 2 85.48 1 2 A HIS 3 2 88.86 1 3 A SER 4 2 92.06 1 4 A VAL 5 2 90.39 1 5 A GLU 6 2 84.50 1 6 A GLN 7 2 92.63 1 7 A TRP 8 2 93.23 1 8 A THR 9 2 91.24 1 9 A ASN 10 2 90.03 1 10 A SER 11 2 91.92 1 11 A ILE 12 2 91.38 1 12 A MET 13 2 87.47 1 13 A ALA 14 2 91.90 1 14 A GLN 15 2 86.74 1 15 A MET 16 2 85.42 1 16 A PRO 17 2 89.97 1 17 A ARG 18 2 76.59 1 18 A GLY 19 2 87.73 1 19 A ILE 20 2 83.20 1 20 A LEU 21 2 80.56 1 21 A TRP 22 2 79.05 1 22 A GLN 23 2 81.59 1 23 A ARG 24 2 80.07 1 24 A SER 25 2 87.91 1 25 A ALA 26 2 89.53 1 26 A SER 27 2 91.05 1 27 A LEU 28 2 88.05 1 28 A ASP 29 2 87.68 1 29 A LEU 30 2 87.50 1 30 A TYR 31 2 91.09 1 31 A LYS 32 2 88.89 1 32 A TYR 33 2 84.68 1 33 A ALA 34 2 91.69 1 34 A ALA 35 2 93.18 1 35 A GLY 36 2 94.14 1 36 A TYR 37 2 85.31 1 37 A ALA 38 2 94.21 1 38 A PRO 39 2 94.85 1 39 A ARG 40 2 82.09 1 40 A LEU 41 2 93.26 1 41 A GLU 42 2 90.59 1 42 A ALA 43 2 94.74 1 43 A VAL 44 2 93.83 1 44 A GLU 45 2 90.13 1 45 A VAL 46 2 92.32 1 46 A SER 47 2 92.70 1 47 A ALA 48 2 93.80 1 48 A ASP 49 2 88.57 1 49 A SER 50 2 91.13 1 50 A LEU 51 2 90.28 1 51 A LEU 52 2 89.14 1 52 A LEU 53 2 88.58 1 53 A GLU 54 2 89.90 1 54 A MET 55 2 87.64 1 55 A ARG 56 2 82.49 1 56 A PRO 57 2 93.65 1 57 A GLU 58 2 88.32 1 58 A ASN 59 2 89.75 1 59 A THR 60 2 91.55 1 60 A GLN 61 2 85.59 1 61 A GLN 62 2 87.74 1 62 A LEU 63 2 93.46 1 63 A LEU 64 2 93.21 1 64 A ASP 65 2 92.82 1 65 A GLU 66 2 90.49 1 66 A TRP 67 2 95.61 1 67 A GLU 68 2 92.06 1 68 A GLU 69 2 90.14 1 69 A TYR 70 2 93.90 1 70 A LEU 71 2 93.06 1 71 A GLY 72 2 91.57 1 72 A LEU 73 2 87.53 1 73 A PRO 74 2 84.65 1 74 A GLU 75 2 78.83 1 75 A CYS 76 2 79.87 1 76 A GLN 77 2 71.32 1 77 A VAL 78 2 72.58 1 78 A GLN 79 2 66.51 1 79 A ASN 80 2 67.26 1 80 A GLN 81 2 71.83 1 81 A THR 82 2 79.40 1 82 A PHE 83 2 89.21 1 83 A GLU 84 2 75.10 1 84 A SER 85 2 75.58 1 85 A ARG 86 2 86.23 1 86 A ARG 87 2 84.32 1 87 A ALA 88 2 82.04 1 88 A ALA 89 2 85.65 1 89 A VAL 90 2 91.28 1 90 A VAL 91 2 89.43 1 91 A GLU 92 2 79.73 1 92 A LYS 93 2 87.48 1 93 A TYR 94 2 92.81 1 94 A HIS 95 2 86.07 1 95 A ARG 96 2 78.14 1 96 A LYS 97 2 74.16 1 97 A GLY 98 2 77.63 1 98 A GLY 99 2 81.25 1 99 A LEU 100 2 74.53 1 100 A GLN 101 2 78.80 1 101 A ALA 102 2 88.61 1 102 A TRP 103 2 85.22 1 103 A ASN 104 2 84.35 1 104 A ILE 105 2 88.81 1 105 A ASP 106 2 86.11 1 106 A LYS 107 2 81.87 1 107 A LEU 108 2 83.67 1 108 A GLY 109 2 85.27 1 109 A ALA 110 2 83.31 1 110 A ASP 111 2 76.95 1 111 A LEU 112 2 75.29 1 112 A GLY 113 2 77.80 1 113 A PHE 114 2 78.89 1 114 A GLU 115 2 80.03 1 115 A ILE 116 2 86.84 1 116 A GLU 117 2 85.08 1 117 A VAL 118 2 90.13 1 118 A GLU 119 2 84.87 1 119 A GLU 120 2 82.75 1 120 A ILE 121 2 83.55 1 121 A PHE 122 2 81.35 1 122 A PRO 123 2 81.60 1 123 A HIS 124 2 74.05 1 124 A HIS 125 2 75.70 1 125 A CYS 126 2 80.44 1 126 A LEU 127 2 80.77 1 127 A ARG 128 2 75.12 1 128 A GLY 129 2 85.14 1 129 A CYS 130 2 80.96 1 130 A THR 131 2 83.25 1 131 A TYR 132 2 79.67 1 132 A PRO 133 2 83.92 1 133 A LEU 134 2 79.68 1 134 A TYR 135 2 79.34 1 135 A GLU 136 2 77.17 1 136 A GLU 137 2 73.37 1 137 A LYS 138 2 75.70 1 138 A TYR 139 2 77.50 1 139 A ARG 140 2 72.74 1 140 A HIS 141 2 81.65 1 141 A LEU 142 2 83.85 1 142 A LEU 143 2 87.38 1 143 A ARG 144 2 83.99 1 144 A ILE 145 2 89.12 1 145 A HIS 146 2 87.31 1 146 A VAL 147 2 87.16 1 147 A ARG 148 2 74.41 1 148 A GLY 149 2 73.93 1 149 A ILE 150 2 64.66 1 150 A THR 151 2 62.80 1 151 A GLN 152 2 54.82 1 152 A ALA 153 2 60.89 1 153 A TYR 154 2 60.90 1 154 A ALA 155 2 64.84 1 155 A THR 156 2 65.69 1 156 A CYS 157 2 66.26 1 157 A LEU 158 2 65.06 1 158 A ASP 159 2 63.89 1 159 A ASP 160 2 63.49 1 160 A CYS 161 2 64.64 1 161 A LEU 162 2 62.35 1 162 A THR 163 2 60.79 1 163 A PRO 164 2 62.08 1 164 A LEU 165 2 55.54 1 165 A VAL 166 2 60.19 1 166 A SER 167 2 67.97 1 167 A GLN 168 2 63.24 1 168 A THR 169 2 70.06 1 169 A ALA 170 2 79.88 1 170 A ALA 171 2 81.14 1 171 A ILE 172 2 76.67 1 172 A LEU 173 2 83.60 1 173 A GLU 174 2 84.37 1 174 A CYS 175 2 86.83 1 175 A THR 176 2 82.72 1 176 A LEU 177 2 87.82 1 177 A ASN 178 2 85.85 1 178 A GLN 179 2 79.53 1 179 A PHE 180 2 77.39 1 180 A LYS 181 2 80.50 1 181 A LEU 182 2 74.99 1 182 A GLY 183 2 84.42 1 183 A GLY 184 2 85.12 1 184 A LYS 185 2 80.36 1 185 A TYR 186 2 82.33 1 186 A TYR 187 2 88.48 1 187 A GLU 188 2 84.55 1 188 A PHE 189 2 88.16 1 189 A ILE 190 2 86.03 1 190 A TYR 191 2 82.96 1 191 A GLU 192 2 75.37 1 192 A GLU 193 2 64.55 1 193 A SER 194 2 56.43 1 194 A VAL 195 2 51.08 1 195 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n GLY . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n GLN . 7 A 7 A 8 1 n TRP . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n GLN . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n ARG . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n TRP . 22 A 22 A 23 1 n GLN . 23 A 23 A 24 1 n ARG . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n SER . 27 A 27 A 28 1 n LEU . 28 A 28 A 29 1 n ASP . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n TYR . 31 A 31 A 32 1 n LYS . 32 A 32 A 33 1 n TYR . 33 A 33 A 34 1 n ALA . 34 A 34 A 35 1 n ALA . 35 A 35 A 36 1 n GLY . 36 A 36 A 37 1 n TYR . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n PRO . 39 A 39 A 40 1 n ARG . 40 A 40 A 41 1 n LEU . 41 A 41 A 42 1 n GLU . 42 A 42 A 43 1 n ALA . 43 A 43 A 44 1 n VAL . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n VAL . 46 A 46 A 47 1 n SER . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n ASP . 49 A 49 A 50 1 n SER . 50 A 50 A 51 1 n LEU . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n LEU . 53 A 53 A 54 1 n GLU . 54 A 54 A 55 1 n MET . 55 A 55 A 56 1 n ARG . 56 A 56 A 57 1 n PRO . 57 A 57 A 58 1 n GLU . 58 A 58 A 59 1 n ASN . 59 A 59 A 60 1 n THR . 60 A 60 A 61 1 n GLN . 61 A 61 A 62 1 n GLN . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n LEU . 64 A 64 A 65 1 n ASP . 65 A 65 A 66 1 n GLU . 66 A 66 A 67 1 n TRP . 67 A 67 A 68 1 n GLU . 68 A 68 A 69 1 n GLU . 69 A 69 A 70 1 n TYR . 70 A 70 A 71 1 n LEU . 71 A 71 A 72 1 n GLY . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n PRO . 74 A 74 A 75 1 n GLU . 75 A 75 A 76 1 n CYS . 76 A 76 A 77 1 n GLN . 77 A 77 A 78 1 n VAL . 78 A 78 A 79 1 n GLN . 79 A 79 A 80 1 n ASN . 80 A 80 A 81 1 n GLN . 81 A 81 A 82 1 n THR . 82 A 82 A 83 1 n PHE . 83 A 83 A 84 1 n GLU . 84 A 84 A 85 1 n SER . 85 A 85 A 86 1 n ARG . 86 A 86 A 87 1 n ARG . 87 A 87 A 88 1 n ALA . 88 A 88 A 89 1 n ALA . 89 A 89 A 90 1 n VAL . 90 A 90 A 91 1 n VAL . 91 A 91 A 92 1 n GLU . 92 A 92 A 93 1 n LYS . 93 A 93 A 94 1 n TYR . 94 A 94 A 95 1 n HIS . 95 A 95 A 96 1 n ARG . 96 A 96 A 97 1 n LYS . 97 A 97 A 98 1 n GLY . 98 A 98 A 99 1 n GLY . 99 A 99 A 100 1 n LEU . 100 A 100 A 101 1 n GLN . 101 A 101 A 102 1 n ALA . 102 A 102 A 103 1 n TRP . 103 A 103 A 104 1 n ASN . 104 A 104 A 105 1 n ILE . 105 A 105 A 106 1 n ASP . 106 A 106 A 107 1 n LYS . 107 A 107 A 108 1 n LEU . 108 A 108 A 109 1 n GLY . 109 A 109 A 110 1 n ALA . 110 A 110 A 111 1 n ASP . 111 A 111 A 112 1 n LEU . 112 A 112 A 113 1 n GLY . 113 A 113 A 114 1 n PHE . 114 A 114 A 115 1 n GLU . 115 A 115 A 116 1 n ILE . 116 A 116 A 117 1 n GLU . 117 A 117 A 118 1 n VAL . 118 A 118 A 119 1 n GLU . 119 A 119 A 120 1 n GLU . 120 A 120 A 121 1 n ILE . 121 A 121 A 122 1 n PHE . 122 A 122 A 123 1 n PRO . 123 A 123 A 124 1 n HIS . 124 A 124 A 125 1 n HIS . 125 A 125 A 126 1 n CYS . 126 A 126 A 127 1 n LEU . 127 A 127 A 128 1 n ARG . 128 A 128 A 129 1 n GLY . 129 A 129 A 130 1 n CYS . 130 A 130 A 131 1 n THR . 131 A 131 A 132 1 n TYR . 132 A 132 A 133 1 n PRO . 133 A 133 A 134 1 n LEU . 134 A 134 A 135 1 n TYR . 135 A 135 A 136 1 n GLU . 136 A 136 A 137 1 n GLU . 137 A 137 A 138 1 n LYS . 138 A 138 A 139 1 n TYR . 139 A 139 A 140 1 n ARG . 140 A 140 A 141 1 n HIS . 141 A 141 A 142 1 n LEU . 142 A 142 A 143 1 n LEU . 143 A 143 A 144 1 n ARG . 144 A 144 A 145 1 n ILE . 145 A 145 A 146 1 n HIS . 146 A 146 A 147 1 n VAL . 147 A 147 A 148 1 n ARG . 148 A 148 A 149 1 n GLY . 149 A 149 A 150 1 n ILE . 150 A 150 A 151 1 n THR . 151 A 151 A 152 1 n GLN . 152 A 152 A 153 1 n ALA . 153 A 153 A 154 1 n TYR . 154 A 154 A 155 1 n ALA . 155 A 155 A 156 1 n THR . 156 A 156 A 157 1 n CYS . 157 A 157 A 158 1 n LEU . 158 A 158 A 159 1 n ASP . 159 A 159 A 160 1 n ASP . 160 A 160 A 161 1 n CYS . 161 A 161 A 162 1 n LEU . 162 A 162 A 163 1 n THR . 163 A 163 A 164 1 n PRO . 164 A 164 A 165 1 n LEU . 165 A 165 A 166 1 n VAL . 166 A 166 A 167 1 n SER . 167 A 167 A 168 1 n GLN . 168 A 168 A 169 1 n THR . 169 A 169 A 170 1 n ALA . 170 A 170 A 171 1 n ALA . 171 A 171 A 172 1 n ILE . 172 A 172 A 173 1 n LEU . 173 A 173 A 174 1 n GLU . 174 A 174 A 175 1 n CYS . 175 A 175 A 176 1 n THR . 176 A 176 A 177 1 n LEU . 177 A 177 A 178 1 n ASN . 178 A 178 A 179 1 n GLN . 179 A 179 A 180 1 n PHE . 180 A 180 A 181 1 n LYS . 181 A 181 A 182 1 n LEU . 182 A 182 A 183 1 n GLY . 183 A 183 A 184 1 n GLY . 184 A 184 A 185 1 n LYS . 185 A 185 A 186 1 n TYR . 186 A 186 A 187 1 n TYR . 187 A 187 A 188 1 n GLU . 188 A 188 A 189 1 n PHE . 189 A 189 A 190 1 n ILE . 190 A 190 A 191 1 n TYR . 191 A 191 A 192 1 n GLU . 192 A 192 A 193 1 n GLU . 193 A 193 A 194 1 n SER . 194 A 194 A 195 1 n VAL . 195 A 195 # _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 ? 2.983 22.269 -16.342 1.00 78.64 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.076 23.737 -16.567 1.00 80.57 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.826 24.153 -17.314 1.00 82.55 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.754 23.888 -18.505 1.00 75.17 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.317 24.148 -17.391 1.00 72.37 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.593 24.258 -16.554 1.00 62.04 1 A 1 ATOM 7 S SD . MET A 1 1 ? 6.983 24.940 -17.524 1.00 56.90 1 A 1 ATOM 8 C CE . MET A 1 1 ? 8.311 24.868 -16.292 1.00 50.76 1 A 1 ATOM 9 N N . GLY A 1 2 ? 0.855 24.703 -16.612 1.00 82.87 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -0.437 25.053 -17.193 1.00 85.19 2 A 1 ATOM 11 C C . GLY A 1 2 ? -0.324 26.196 -18.202 1.00 88.81 2 A 1 ATOM 12 O O . GLY A 1 2 ? 0.459 27.137 -18.017 1.00 85.04 2 A 1 ATOM 13 N N . HIS A 1 3 ? -1.072 26.110 -19.291 1.00 90.28 3 A 1 ATOM 14 C CA . HIS A 1 3 ? -1.224 27.176 -20.272 1.00 91.54 3 A 1 ATOM 15 C C . HIS A 1 3 ? -2.113 28.290 -19.705 1.00 92.50 3 A 1 ATOM 16 O O . HIS A 1 3 ? -3.104 28.035 -19.028 1.00 90.70 3 A 1 ATOM 17 C CB . HIS A 1 3 ? -1.789 26.613 -21.579 1.00 91.16 3 A 1 ATOM 18 C CG . HIS A 1 3 ? -0.858 25.653 -22.281 1.00 91.59 3 A 1 ATOM 19 N ND1 . HIS A 1 3 ? -0.730 24.316 -21.996 1.00 81.48 3 A 1 ATOM 20 C CD2 . HIS A 1 3 ? 0.014 25.923 -23.300 1.00 84.76 3 A 1 ATOM 21 C CE1 . HIS A 1 3 ? 0.195 23.800 -22.815 1.00 86.33 3 A 1 ATOM 22 N NE2 . HIS A 1 3 ? 0.679 24.737 -23.641 1.00 88.24 3 A 1 ATOM 23 N N . SER A 1 4 ? -1.789 29.538 -20.028 1.00 92.23 4 A 1 ATOM 24 C CA . SER A 1 4 ? -2.618 30.669 -19.600 1.00 92.64 4 A 1 ATOM 25 C C . SER A 1 4 ? -3.976 30.684 -20.316 1.00 93.22 4 A 1 ATOM 26 O O . SER A 1 4 ? -4.121 30.178 -21.435 1.00 92.40 4 A 1 ATOM 27 C CB . SER A 1 4 ? -1.881 32.001 -19.800 1.00 92.19 4 A 1 ATOM 28 O OG . SER A 1 4 ? -1.725 32.296 -21.180 1.00 89.66 4 A 1 ATOM 29 N N . VAL A 1 5 ? -4.964 31.355 -19.725 1.00 92.35 5 A 1 ATOM 30 C CA . VAL A 1 5 ? -6.293 31.574 -20.331 1.00 92.11 5 A 1 ATOM 31 C C . VAL A 1 5 ? -6.189 32.175 -21.742 1.00 93.59 5 A 1 ATOM 32 O O . VAL A 1 5 ? -6.937 31.797 -22.649 1.00 92.96 5 A 1 ATOM 33 C CB . VAL A 1 5 ? -7.137 32.496 -19.421 1.00 91.07 5 A 1 ATOM 34 C CG1 . VAL A 1 5 ? -8.515 32.805 -20.013 1.00 85.50 5 A 1 ATOM 35 C CG2 . VAL A 1 5 ? -7.365 31.869 -18.043 1.00 85.12 5 A 1 ATOM 36 N N . GLU A 1 6 ? -5.224 33.071 -21.971 1.00 93.17 6 A 1 ATOM 37 C CA . GLU A 1 6 ? -4.975 33.663 -23.288 1.00 92.70 6 A 1 ATOM 38 C C . GLU A 1 6 ? -4.460 32.626 -24.300 1.00 93.22 6 A 1 ATOM 39 O O . GLU A 1 6 ? -4.916 32.592 -25.444 1.00 92.02 6 A 1 ATOM 40 C CB . GLU A 1 6 ? -3.953 34.801 -23.181 1.00 91.65 6 A 1 ATOM 41 C CG . GLU A 1 6 ? -4.463 35.990 -22.346 1.00 81.33 6 A 1 ATOM 42 C CD . GLU A 1 6 ? -3.463 37.160 -22.312 1.00 77.76 6 A 1 ATOM 43 O OE1 . GLU A 1 6 ? -3.836 38.211 -21.747 1.00 68.84 6 A 1 ATOM 44 O OE2 . GLU A 1 6 ? -2.344 37.008 -22.861 1.00 69.77 6 A 1 ATOM 45 N N . GLN A 1 7 ? -3.552 31.749 -23.889 1.00 94.97 7 A 1 ATOM 46 C CA . GLN A 1 7 ? -3.034 30.676 -24.739 1.00 94.94 7 A 1 ATOM 47 C C . GLN A 1 7 ? -4.141 29.682 -25.107 1.00 95.26 7 A 1 ATOM 48 O O . GLN A 1 7 ? -4.273 29.323 -26.278 1.00 94.66 7 A 1 ATOM 49 C CB . GLN A 1 7 ? -1.869 29.964 -24.033 1.00 95.11 7 A 1 ATOM 50 C CG . GLN A 1 7 ? -0.595 30.821 -23.994 1.00 93.66 7 A 1 ATOM 51 C CD . GLN A 1 7 ? 0.472 30.220 -23.085 1.00 92.22 7 A 1 ATOM 52 O OE1 . GLN A 1 7 ? 0.200 29.686 -22.026 1.00 88.00 7 A 1 ATOM 53 N NE2 . GLN A 1 7 ? 1.736 30.298 -23.439 1.00 84.83 7 A 1 ATOM 54 N N . TRP A 1 8 ? -4.982 29.302 -24.147 1.00 95.38 8 A 1 ATOM 55 C CA . TRP A 1 8 ? -6.158 28.474 -24.410 1.00 95.28 8 A 1 ATOM 56 C C . TRP A 1 8 ? -7.165 29.161 -25.330 1.00 95.42 8 A 1 ATOM 57 O O . TRP A 1 8 ? -7.652 28.544 -26.280 1.00 94.65 8 A 1 ATOM 58 C CB . TRP A 1 8 ? -6.805 28.065 -23.082 1.00 95.24 8 A 1 ATOM 59 C CG . TRP A 1 8 ? -6.152 26.878 -22.453 1.00 95.09 8 A 1 ATOM 60 C CD1 . TRP A 1 8 ? -5.557 26.824 -21.241 1.00 92.16 8 A 1 ATOM 61 C CD2 . TRP A 1 8 ? -6.027 25.536 -23.025 1.00 93.78 8 A 1 ATOM 62 N NE1 . TRP A 1 8 ? -5.076 25.553 -21.011 1.00 92.08 8 A 1 ATOM 63 C CE2 . TRP A 1 8 ? -5.336 24.718 -22.084 1.00 93.14 8 A 1 ATOM 64 C CE3 . TRP A 1 8 ? -6.420 24.931 -24.241 1.00 91.87 8 A 1 ATOM 65 C CZ2 . TRP A 1 8 ? -5.048 23.366 -22.339 1.00 91.68 8 A 1 ATOM 66 C CZ3 . TRP A 1 8 ? -6.132 23.578 -24.509 1.00 89.89 8 A 1 ATOM 67 C CH2 . TRP A 1 8 ? -5.449 22.798 -23.563 1.00 89.57 8 A 1 ATOM 68 N N . THR A 1 9 ? -7.424 30.457 -25.130 1.00 94.06 9 A 1 ATOM 69 C CA . THR A 1 9 ? -8.293 31.246 -26.020 1.00 93.50 9 A 1 ATOM 70 C C . THR A 1 9 ? -7.767 31.227 -27.457 1.00 93.64 9 A 1 ATOM 71 O O . THR A 1 9 ? -8.520 30.960 -28.394 1.00 92.64 9 A 1 ATOM 72 C CB . THR A 1 9 ? -8.420 32.696 -25.535 1.00 93.39 9 A 1 ATOM 73 O OG1 . THR A 1 9 ? -8.904 32.732 -24.218 1.00 86.46 9 A 1 ATOM 74 C CG2 . THR A 1 9 ? -9.413 33.494 -26.381 1.00 85.02 9 A 1 ATOM 75 N N . ASN A 1 10 ? -6.459 31.443 -27.632 1.00 94.11 10 A 1 ATOM 76 C CA . ASN A 1 10 ? -5.815 31.406 -28.942 1.00 93.15 10 A 1 ATOM 77 C C . ASN A 1 10 ? -5.865 30.005 -29.575 1.00 93.31 10 A 1 ATOM 78 O O . ASN A 1 10 ? -6.086 29.892 -30.782 1.00 92.11 10 A 1 ATOM 79 C CB . ASN A 1 10 ? -4.375 31.922 -28.796 1.00 92.81 10 A 1 ATOM 80 C CG . ASN A 1 10 ? -4.316 33.419 -28.537 1.00 90.55 10 A 1 ATOM 81 O OD1 . ASN A 1 10 ? -5.150 34.186 -28.987 1.00 82.02 10 A 1 ATOM 82 N ND2 . ASN A 1 10 ? -3.312 33.886 -27.841 1.00 82.19 10 A 1 ATOM 83 N N . SER A 1 11 ? -5.724 28.951 -28.775 1.00 93.97 11 A 1 ATOM 84 C CA . SER A 1 11 ? -5.864 27.562 -29.224 1.00 93.61 11 A 1 ATOM 85 C C . SER A 1 11 ? -7.282 27.269 -29.733 1.00 93.86 11 A 1 ATOM 86 O O . SER A 1 11 ? -7.447 26.796 -30.856 1.00 92.55 11 A 1 ATOM 87 C CB . SER A 1 11 ? -5.479 26.604 -28.085 1.00 93.69 11 A 1 ATOM 88 O OG . SER A 1 11 ? -5.487 25.283 -28.574 1.00 83.82 11 A 1 ATOM 89 N N . ILE A 1 12 ? -8.319 27.650 -28.973 1.00 93.26 12 A 1 ATOM 90 C CA . ILE A 1 12 ? -9.727 27.526 -29.396 1.00 92.32 12 A 1 ATOM 91 C C . ILE A 1 12 ? -9.957 28.292 -30.703 1.00 92.48 12 A 1 ATOM 92 O O . ILE A 1 12 ? -10.518 27.753 -31.665 1.00 91.46 12 A 1 ATOM 93 C CB . ILE A 1 12 ? -10.684 28.036 -28.287 1.00 92.71 12 A 1 ATOM 94 C CG1 . ILE A 1 12 ? -10.606 27.158 -27.019 1.00 91.39 12 A 1 ATOM 95 C CG2 . ILE A 1 12 ? -12.143 28.057 -28.788 1.00 90.24 12 A 1 ATOM 96 C CD1 . ILE A 1 12 ? -11.200 27.848 -25.782 1.00 87.16 12 A 1 ATOM 97 N N . MET A 1 13 ? -9.475 29.535 -30.775 1.00 92.11 13 A 1 ATOM 98 C CA . MET A 1 13 ? -9.602 30.363 -31.974 1.00 91.10 13 A 1 ATOM 99 C C . MET A 1 13 ? -8.846 29.767 -33.170 1.00 91.43 13 A 1 ATOM 100 O O . MET A 1 13 ? -9.286 29.935 -34.311 1.00 89.55 13 A 1 ATOM 101 C CB . MET A 1 13 ? -9.124 31.793 -31.678 1.00 90.58 13 A 1 ATOM 102 C CG . MET A 1 13 ? -10.099 32.556 -30.768 1.00 86.37 13 A 1 ATOM 103 S SD . MET A 1 13 ? -11.785 32.765 -31.424 1.00 84.58 13 A 1 ATOM 104 C CE . MET A 1 13 ? -11.483 33.916 -32.785 1.00 74.04 13 A 1 ATOM 105 N N . ALA A 1 14 ? -7.743 29.055 -32.955 1.00 92.72 14 A 1 ATOM 106 C CA . ALA A 1 14 ? -7.010 28.364 -34.018 1.00 92.22 14 A 1 ATOM 107 C C . ALA A 1 14 ? -7.817 27.213 -34.641 1.00 92.19 14 A 1 ATOM 108 O O . ALA A 1 14 ? -7.705 27.000 -35.854 1.00 90.24 14 A 1 ATOM 109 C CB . ALA A 1 14 ? -5.652 27.898 -33.484 1.00 92.13 14 A 1 ATOM 110 N N . GLN A 1 15 ? -8.669 26.536 -33.858 1.00 92.51 15 A 1 ATOM 111 C CA . GLN A 1 15 ? -9.538 25.446 -34.316 1.00 92.01 15 A 1 ATOM 112 C C . GLN A 1 15 ? -10.833 25.925 -34.995 1.00 92.34 15 A 1 ATOM 113 O O . GLN A 1 15 ? -11.495 25.149 -35.688 1.00 90.48 15 A 1 ATOM 114 C CB . GLN A 1 15 ? -9.867 24.522 -33.125 1.00 91.64 15 A 1 ATOM 115 C CG . GLN A 1 15 ? -8.627 23.880 -32.476 1.00 88.00 15 A 1 ATOM 116 C CD . GLN A 1 15 ? -7.782 23.043 -33.436 1.00 84.13 15 A 1 ATOM 117 O OE1 . GLN A 1 15 ? -8.216 22.579 -34.482 1.00 76.60 15 A 1 ATOM 118 N NE2 . GLN A 1 15 ? -6.523 22.818 -33.131 1.00 72.93 15 A 1 ATOM 119 N N . MET A 1 16 ? -11.207 27.202 -34.836 1.00 90.44 16 A 1 ATOM 120 C CA . MET A 1 16 ? -12.397 27.753 -35.487 1.00 90.03 16 A 1 ATOM 121 C C . MET A 1 16 ? -12.256 27.788 -37.022 1.00 91.10 16 A 1 ATOM 122 O O . MET A 1 16 ? -11.152 27.992 -37.546 1.00 89.24 16 A 1 ATOM 123 C CB . MET A 1 16 ? -12.707 29.159 -34.940 1.00 88.75 16 A 1 ATOM 124 C CG . MET A 1 16 ? -13.239 29.127 -33.501 1.00 84.13 16 A 1 ATOM 125 S SD . MET A 1 16 ? -14.914 28.435 -33.352 1.00 79.58 16 A 1 ATOM 126 C CE . MET A 1 16 ? -15.143 28.603 -31.566 1.00 70.09 16 A 1 ATOM 127 N N . PRO A 1 17 ? -13.377 27.666 -37.776 1.00 91.87 17 A 1 ATOM 128 C CA . PRO A 1 17 ? -13.378 27.811 -39.229 1.00 91.29 17 A 1 ATOM 129 C C . PRO A 1 17 ? -12.755 29.140 -39.681 1.00 91.45 17 A 1 ATOM 130 O O . PRO A 1 17 ? -12.785 30.154 -38.971 1.00 89.00 17 A 1 ATOM 131 C CB . PRO A 1 17 ? -14.843 27.691 -39.673 1.00 89.55 17 A 1 ATOM 132 C CG . PRO A 1 17 ? -15.507 26.906 -38.547 1.00 86.98 17 A 1 ATOM 133 C CD . PRO A 1 17 ? -14.730 27.347 -37.310 1.00 89.65 17 A 1 ATOM 134 N N . ARG A 1 18 ? -12.175 29.160 -40.881 1.00 89.02 18 A 1 ATOM 135 C CA . ARG A 1 18 ? -11.629 30.378 -41.500 1.00 88.80 18 A 1 ATOM 136 C C . ARG A 1 18 ? -12.611 30.898 -42.550 1.00 90.27 18 A 1 ATOM 137 O O . ARG A 1 18 ? -13.102 30.128 -43.366 1.00 86.56 18 A 1 ATOM 138 C CB . ARG A 1 18 ? -10.238 30.120 -42.105 1.00 85.43 18 A 1 ATOM 139 C CG . ARG A 1 18 ? -9.206 29.699 -41.048 1.00 78.81 18 A 1 ATOM 140 C CD . ARG A 1 18 ? -7.814 29.541 -41.669 1.00 76.28 18 A 1 ATOM 141 N NE . ARG A 1 18 ? -6.820 29.111 -40.666 1.00 69.22 18 A 1 ATOM 142 C CZ . ARG A 1 18 ? -5.528 28.903 -40.869 1.00 62.50 18 A 1 ATOM 143 N NH1 . ARG A 1 18 ? -4.969 29.073 -42.035 1.00 60.12 18 A 1 ATOM 144 N NH2 . ARG A 1 18 ? -4.764 28.504 -39.892 1.00 55.44 18 A 1 ATOM 145 N N . GLY A 1 19 ? -12.872 32.202 -42.548 1.00 87.72 19 A 1 ATOM 146 C CA . GLY A 1 19 ? -13.744 32.831 -43.537 1.00 87.52 19 A 1 ATOM 147 C C . GLY A 1 19 ? -14.133 34.258 -43.144 1.00 89.23 19 A 1 ATOM 148 O O . GLY A 1 19 ? -13.850 34.701 -42.030 1.00 86.46 19 A 1 ATOM 149 N N . ILE A 1 20 ? -14.806 34.960 -44.055 1.00 88.14 20 A 1 ATOM 150 C CA . ILE A 1 20 ? -15.247 36.354 -43.858 1.00 88.17 20 A 1 ATOM 151 C C . ILE A 1 20 ? -16.186 36.480 -42.642 1.00 88.61 20 A 1 ATOM 152 O O . ILE A 1 20 ? -16.138 37.476 -41.927 1.00 85.49 20 A 1 ATOM 153 C CB . ILE A 1 20 ? -15.910 36.882 -45.161 1.00 86.83 20 A 1 ATOM 154 C CG1 . ILE A 1 20 ? -14.899 36.841 -46.338 1.00 78.81 20 A 1 ATOM 155 C CG2 . ILE A 1 20 ? -16.451 38.314 -44.977 1.00 77.75 20 A 1 ATOM 156 C CD1 . ILE A 1 20 ? -15.533 37.091 -47.719 1.00 71.80 20 A 1 ATOM 157 N N . LEU A 1 21 ? -16.987 35.436 -42.369 1.00 86.32 21 A 1 ATOM 158 C CA . LEU A 1 21 ? -17.907 35.384 -41.224 1.00 85.66 21 A 1 ATOM 159 C C . LEU A 1 21 ? -17.211 35.038 -39.893 1.00 86.54 21 A 1 ATOM 160 O O . LEU A 1 21 ? -17.771 35.270 -38.829 1.00 83.60 21 A 1 ATOM 161 C CB . LEU A 1 21 ? -19.016 34.360 -41.531 1.00 83.56 21 A 1 ATOM 162 C CG . LEU A 1 21 ? -19.910 34.709 -42.739 1.00 76.69 21 A 1 ATOM 163 C CD1 . LEU A 1 21 ? -20.868 33.549 -43.021 1.00 71.62 21 A 1 ATOM 164 C CD2 . LEU A 1 21 ? -20.734 35.974 -42.509 1.00 70.52 21 A 1 ATOM 165 N N . TRP A 1 22 ? -15.979 34.479 -39.939 1.00 87.19 22 A 1 ATOM 166 C CA . TRP A 1 22 ? -15.232 33.996 -38.773 1.00 85.74 22 A 1 ATOM 167 C C . TRP A 1 22 ? -13.952 34.816 -38.574 1.00 87.03 22 A 1 ATOM 168 O O . TRP A 1 22 ? -12.834 34.341 -38.783 1.00 83.91 22 A 1 ATOM 169 C CB . TRP A 1 22 ? -14.957 32.499 -38.927 1.00 83.39 22 A 1 ATOM 170 C CG . TRP A 1 22 ? -16.174 31.639 -39.076 1.00 82.86 22 A 1 ATOM 171 C CD1 . TRP A 1 22 ? -16.648 31.144 -40.241 1.00 75.01 22 A 1 ATOM 172 C CD2 . TRP A 1 22 ? -17.095 31.179 -38.039 1.00 79.71 22 A 1 ATOM 173 N NE1 . TRP A 1 22 ? -17.794 30.403 -40.003 1.00 73.99 22 A 1 ATOM 174 C CE2 . TRP A 1 22 ? -18.114 30.389 -38.659 1.00 77.15 22 A 1 ATOM 175 C CE3 . TRP A 1 22 ? -17.174 31.344 -36.637 1.00 73.46 22 A 1 ATOM 176 C CZ2 . TRP A 1 22 ? -19.150 29.786 -37.932 1.00 75.30 22 A 1 ATOM 177 C CZ3 . TRP A 1 22 ? -18.209 30.745 -35.897 1.00 70.59 22 A 1 ATOM 178 C CH2 . TRP A 1 22 ? -19.195 29.963 -36.540 1.00 71.31 22 A 1 ATOM 179 N N . GLN A 1 23 ? -14.125 36.072 -38.203 1.00 88.17 23 A 1 ATOM 180 C CA . GLN A 1 23 ? -13.018 36.987 -37.937 1.00 87.86 23 A 1 ATOM 181 C C . GLN A 1 23 ? -12.401 36.692 -36.561 1.00 88.21 23 A 1 ATOM 182 O O . GLN A 1 23 ? -13.111 36.433 -35.590 1.00 85.32 23 A 1 ATOM 183 C CB . GLN A 1 23 ? -13.490 38.439 -38.045 1.00 85.86 23 A 1 ATOM 184 C CG . GLN A 1 23 ? -14.023 38.794 -39.444 1.00 81.63 23 A 1 ATOM 185 C CD . GLN A 1 23 ? -14.437 40.258 -39.567 1.00 78.13 23 A 1 ATOM 186 O OE1 . GLN A 1 23 ? -14.226 41.080 -38.692 1.00 71.20 23 A 1 ATOM 187 N NE2 . GLN A 1 23 ? -15.036 40.650 -40.666 1.00 67.90 23 A 1 ATOM 188 N N . ARG A 1 24 ? -11.067 36.741 -36.472 1.00 87.30 24 A 1 ATOM 189 C CA . ARG A 1 24 ? -10.290 36.330 -35.283 1.00 87.55 24 A 1 ATOM 190 C C . ARG A 1 24 ? -9.727 37.501 -34.466 1.00 89.89 24 A 1 ATOM 191 O O . ARG A 1 24 ? -8.810 37.299 -33.680 1.00 87.23 24 A 1 ATOM 192 C CB . ARG A 1 24 ? -9.183 35.349 -35.699 1.00 84.83 24 A 1 ATOM 193 C CG . ARG A 1 24 ? -9.736 34.054 -36.308 1.00 82.86 24 A 1 ATOM 194 C CD . ARG A 1 24 ? -8.581 33.093 -36.596 1.00 79.80 24 A 1 ATOM 195 N NE . ARG A 1 24 ? -9.081 31.811 -37.123 1.00 76.56 24 A 1 ATOM 196 C CZ . ARG A 1 24 ? -8.399 30.689 -37.223 1.00 72.08 24 A 1 ATOM 197 N NH1 . ARG A 1 24 ? -7.122 30.616 -36.956 1.00 67.78 24 A 1 ATOM 198 N NH2 . ARG A 1 24 ? -9.006 29.597 -37.576 1.00 64.88 24 A 1 ATOM 199 N N . SER A 1 25 ? -10.222 38.720 -34.665 1.00 89.49 25 A 1 ATOM 200 C CA . SER A 1 25 ? -9.713 39.866 -33.903 1.00 89.90 25 A 1 ATOM 201 C C . SER A 1 25 ? -10.180 39.814 -32.443 1.00 90.58 25 A 1 ATOM 202 O O . SER A 1 25 ? -11.340 39.510 -32.165 1.00 89.03 25 A 1 ATOM 203 C CB . SER A 1 25 ? -10.075 41.199 -34.564 1.00 88.84 25 A 1 ATOM 204 O OG . SER A 1 25 ? -11.458 41.420 -34.571 1.00 79.64 25 A 1 ATOM 205 N N . ALA A 1 26 ? -9.284 40.149 -31.508 1.00 89.50 26 A 1 ATOM 206 C CA . ALA A 1 26 ? -9.536 40.089 -30.064 1.00 89.67 26 A 1 ATOM 207 C C . ALA A 1 26 ? -10.665 41.023 -29.574 1.00 91.39 26 A 1 ATOM 208 O O . ALA A 1 26 ? -11.222 40.819 -28.497 1.00 88.73 26 A 1 ATOM 209 C CB . ALA A 1 26 ? -8.213 40.397 -29.352 1.00 88.37 26 A 1 ATOM 210 N N . SER A 1 27 ? -11.030 42.032 -30.365 1.00 91.85 27 A 1 ATOM 211 C CA . SER A 1 27 ? -12.119 42.963 -30.039 1.00 92.15 27 A 1 ATOM 212 C C . SER A 1 27 ? -13.524 42.414 -30.326 1.00 92.91 27 A 1 ATOM 213 O O . SER A 1 27 ? -14.506 42.964 -29.818 1.00 90.55 27 A 1 ATOM 214 C CB . SER A 1 27 ? -11.904 44.273 -30.802 1.00 91.94 27 A 1 ATOM 215 O OG . SER A 1 27 ? -11.795 44.031 -32.192 1.00 86.89 27 A 1 ATOM 216 N N . LEU A 1 28 ? -13.634 41.347 -31.123 1.00 90.36 28 A 1 ATOM 217 C CA . LEU A 1 28 ? -14.915 40.780 -31.544 1.00 90.85 28 A 1 ATOM 218 C C . LEU A 1 28 ? -15.513 39.838 -30.491 1.00 92.19 28 A 1 ATOM 219 O O . LEU A 1 28 ? -14.805 39.191 -29.723 1.00 90.77 28 A 1 ATOM 220 C CB . LEU A 1 28 ? -14.750 40.053 -32.888 1.00 89.86 28 A 1 ATOM 221 C CG . LEU A 1 28 ? -14.476 40.993 -34.076 1.00 87.91 28 A 1 ATOM 222 C CD1 . LEU A 1 28 ? -14.176 40.139 -35.307 1.00 80.95 28 A 1 ATOM 223 C CD2 . LEU A 1 28 ? -15.680 41.879 -34.412 1.00 81.51 28 A 1 ATOM 224 N N . ASP A 1 29 ? -16.842 39.713 -30.530 1.00 90.51 29 A 1 ATOM 225 C CA . ASP A 1 29 ? -17.575 38.900 -29.554 1.00 90.57 29 A 1 ATOM 226 C C . ASP A 1 29 ? -17.234 37.408 -29.640 1.00 91.26 29 A 1 ATOM 227 O O . ASP A 1 29 ? -17.196 36.739 -28.608 1.00 89.94 29 A 1 ATOM 228 C CB . ASP A 1 29 ? -19.079 39.153 -29.715 1.00 89.59 29 A 1 ATOM 229 C CG . ASP A 1 29 ? -19.456 40.615 -29.434 1.00 86.81 29 A 1 ATOM 230 O OD1 . ASP A 1 29 ? -18.767 41.264 -28.593 1.00 81.02 29 A 1 ATOM 231 O OD2 . ASP A 1 29 ? -20.395 41.091 -30.100 1.00 81.73 29 A 1 ATOM 232 N N . LEU A 1 30 ? -16.867 36.896 -30.837 1.00 90.14 30 A 1 ATOM 233 C CA . LEU A 1 30 ? -16.393 35.517 -30.993 1.00 90.31 30 A 1 ATOM 234 C C . LEU A 1 30 ? -15.165 35.218 -30.117 1.00 91.70 30 A 1 ATOM 235 O O . LEU A 1 30 ? -15.106 34.166 -29.484 1.00 91.11 30 A 1 ATOM 236 C CB . LEU A 1 30 ? -16.081 35.265 -32.481 1.00 89.06 30 A 1 ATOM 237 C CG . LEU A 1 30 ? -15.646 33.818 -32.790 1.00 86.18 30 A 1 ATOM 238 C CD1 . LEU A 1 30 ? -16.763 32.809 -32.522 1.00 80.88 30 A 1 ATOM 239 C CD2 . LEU A 1 30 ? -15.231 33.705 -34.258 1.00 80.63 30 A 1 ATOM 240 N N . TYR A 1 31 ? -14.198 36.144 -30.056 1.00 91.58 31 A 1 ATOM 241 C CA . TYR A 1 31 ? -13.017 35.996 -29.207 1.00 92.46 31 A 1 ATOM 242 C C . TYR A 1 31 ? -13.399 36.036 -27.722 1.00 93.59 31 A 1 ATOM 243 O O . TYR A 1 31 ? -12.904 35.226 -26.941 1.00 93.19 31 A 1 ATOM 244 C CB . TYR A 1 31 ? -11.986 37.074 -29.554 1.00 92.37 31 A 1 ATOM 245 C CG . TYR A 1 31 ? -10.656 36.889 -28.846 1.00 92.55 31 A 1 ATOM 246 C CD1 . TYR A 1 31 ? -10.452 37.419 -27.553 1.00 88.91 31 A 1 ATOM 247 C CD2 . TYR A 1 31 ? -9.618 36.167 -29.473 1.00 89.56 31 A 1 ATOM 248 C CE1 . TYR A 1 31 ? -9.223 37.228 -26.890 1.00 89.26 31 A 1 ATOM 249 C CE2 . TYR A 1 31 ? -8.385 35.974 -28.816 1.00 89.72 31 A 1 ATOM 250 C CZ . TYR A 1 31 ? -8.188 36.506 -27.522 1.00 90.92 31 A 1 ATOM 251 O OH . TYR A 1 31 ? -7.003 36.318 -26.878 1.00 88.99 31 A 1 ATOM 252 N N . LYS A 1 32 ? -14.329 36.908 -27.327 1.00 91.96 32 A 1 ATOM 253 C CA . LYS A 1 32 ? -14.830 36.986 -25.944 1.00 92.00 32 A 1 ATOM 254 C C . LYS A 1 32 ? -15.552 35.702 -25.522 1.00 93.07 32 A 1 ATOM 255 O O . LYS A 1 32 ? -15.360 35.252 -24.396 1.00 92.45 32 A 1 ATOM 256 C CB . LYS A 1 32 ? -15.768 38.188 -25.776 1.00 92.40 32 A 1 ATOM 257 C CG . LYS A 1 32 ? -15.111 39.544 -26.070 1.00 90.86 32 A 1 ATOM 258 C CD . LYS A 1 32 ? -16.181 40.637 -25.956 1.00 88.69 32 A 1 ATOM 259 C CE . LYS A 1 32 ? -15.720 41.956 -26.566 1.00 83.74 32 A 1 ATOM 260 N NZ . LYS A 1 32 ? -16.905 42.735 -27.021 1.00 74.84 32 A 1 ATOM 261 N N . TYR A 1 33 ? -16.329 35.080 -26.422 1.00 92.99 33 A 1 ATOM 262 C CA . TYR A 1 33 ? -16.950 33.779 -26.150 1.00 92.68 33 A 1 ATOM 263 C C . TYR A 1 33 ? -15.905 32.673 -25.955 1.00 93.92 33 A 1 ATOM 264 O O . TYR A 1 33 ? -16.019 31.894 -25.006 1.00 93.21 33 A 1 ATOM 265 C CB . TYR A 1 33 ? -17.927 33.395 -27.273 1.00 91.27 33 A 1 ATOM 266 C CG . TYR A 1 33 ? -19.205 34.219 -27.317 1.00 87.18 33 A 1 ATOM 267 C CD1 . TYR A 1 33 ? -20.051 34.271 -26.187 1.00 80.56 33 A 1 ATOM 268 C CD2 . TYR A 1 33 ? -19.563 34.919 -28.487 1.00 79.28 33 A 1 ATOM 269 C CE1 . TYR A 1 33 ? -21.237 35.037 -26.218 1.00 76.06 33 A 1 ATOM 270 C CE2 . TYR A 1 33 ? -20.749 35.685 -28.526 1.00 76.63 33 A 1 ATOM 271 C CZ . TYR A 1 33 ? -21.582 35.746 -27.388 1.00 76.40 33 A 1 ATOM 272 O OH . TYR A 1 33 ? -22.716 36.496 -27.416 1.00 75.99 33 A 1 ATOM 273 N N . ALA A 1 34 ? -14.871 32.630 -26.801 1.00 91.24 34 A 1 ATOM 274 C CA . ALA A 1 34 ? -13.764 31.690 -26.635 1.00 91.18 34 A 1 ATOM 275 C C . ALA A 1 34 ? -13.010 31.930 -25.313 1.00 92.90 34 A 1 ATOM 276 O O . ALA A 1 34 ? -12.742 30.979 -24.582 1.00 92.35 34 A 1 ATOM 277 C CB . ALA A 1 34 ? -12.840 31.798 -27.856 1.00 90.76 34 A 1 ATOM 278 N N . ALA A 1 35 ? -12.756 33.200 -24.968 1.00 92.88 35 A 1 ATOM 279 C CA . ALA A 1 35 ? -12.129 33.589 -23.706 1.00 93.20 35 A 1 ATOM 280 C C . ALA A 1 35 ? -12.974 33.209 -22.478 1.00 94.41 35 A 1 ATOM 281 O O . ALA A 1 35 ? -12.425 32.866 -21.440 1.00 92.83 35 A 1 ATOM 282 C CB . ALA A 1 35 ? -11.849 35.095 -23.744 1.00 92.57 35 A 1 ATOM 283 N N . GLY A 1 36 ? -14.313 33.211 -22.600 1.00 94.21 36 A 1 ATOM 284 C CA . GLY A 1 36 ? -15.209 32.737 -21.539 1.00 93.99 36 A 1 ATOM 285 C C . GLY A 1 36 ? -15.145 31.223 -21.294 1.00 95.08 36 A 1 ATOM 286 O O . GLY A 1 36 ? -15.451 30.769 -20.193 1.00 93.29 36 A 1 ATOM 287 N N . TYR A 1 37 ? -14.736 30.439 -22.301 1.00 94.51 37 A 1 ATOM 288 C CA . TYR A 1 37 ? -14.576 28.983 -22.180 1.00 94.41 37 A 1 ATOM 289 C C . TYR A 1 37 ? -13.166 28.573 -21.724 1.00 95.75 37 A 1 ATOM 290 O O . TYR A 1 37 ? -13.014 27.572 -21.022 1.00 94.60 37 A 1 ATOM 291 C CB . TYR A 1 37 ? -14.948 28.332 -23.516 1.00 92.70 37 A 1 ATOM 292 C CG . TYR A 1 37 ? -15.045 26.822 -23.438 1.00 88.01 37 A 1 ATOM 293 C CD1 . TYR A 1 37 ? -13.998 26.016 -23.936 1.00 80.36 37 A 1 ATOM 294 C CD2 . TYR A 1 37 ? -16.175 26.217 -22.846 1.00 80.02 37 A 1 ATOM 295 C CE1 . TYR A 1 37 ? -14.084 24.610 -23.845 1.00 75.48 37 A 1 ATOM 296 C CE2 . TYR A 1 37 ? -16.263 24.814 -22.749 1.00 76.26 37 A 1 ATOM 297 C CZ . TYR A 1 37 ? -15.214 24.011 -23.252 1.00 75.66 37 A 1 ATOM 298 O OH . TYR A 1 37 ? -15.297 22.654 -23.160 1.00 76.00 37 A 1 ATOM 299 N N . ALA A 1 38 ? -12.145 29.361 -22.076 1.00 93.89 38 A 1 ATOM 300 C CA . ALA A 1 38 ? -10.740 29.075 -21.789 1.00 94.18 38 A 1 ATOM 301 C C . ALA A 1 38 ? -10.406 28.791 -20.303 1.00 95.06 38 A 1 ATOM 302 O O . ALA A 1 38 ? -9.646 27.852 -20.072 1.00 94.32 38 A 1 ATOM 303 C CB . ALA A 1 38 ? -9.891 30.202 -22.377 1.00 93.58 38 A 1 ATOM 304 N N . PRO A 1 39 ? -10.997 29.473 -19.291 1.00 95.83 39 A 1 ATOM 305 C CA . PRO A 1 39 ? -10.716 29.170 -17.884 1.00 95.22 39 A 1 ATOM 306 C C . PRO A 1 39 ? -11.064 27.733 -17.472 1.00 95.84 39 A 1 ATOM 307 O O . PRO A 1 39 ? -10.443 27.174 -16.573 1.00 95.05 39 A 1 ATOM 308 C CB . PRO A 1 39 ? -11.544 30.170 -17.071 1.00 94.56 39 A 1 ATOM 309 C CG . PRO A 1 39 ? -11.732 31.344 -18.023 1.00 92.89 39 A 1 ATOM 310 C CD . PRO A 1 39 ? -11.839 30.661 -19.380 1.00 94.59 39 A 1 ATOM 311 N N . ARG A 1 40 ? -12.047 27.109 -18.139 1.00 96.45 40 A 1 ATOM 312 C CA . ARG A 1 40 ? -12.387 25.704 -17.873 1.00 96.25 40 A 1 ATOM 313 C C . ARG A 1 40 ? -11.298 24.759 -18.369 1.00 96.75 40 A 1 ATOM 314 O O . ARG A 1 40 ? -11.052 23.755 -17.717 1.00 95.80 40 A 1 ATOM 315 C CB . ARG A 1 40 ? -13.730 25.331 -18.512 1.00 95.18 40 A 1 ATOM 316 C CG . ARG A 1 40 ? -14.910 26.100 -17.900 1.00 86.94 40 A 1 ATOM 317 C CD . ARG A 1 40 ? -16.214 25.606 -18.535 1.00 84.95 40 A 1 ATOM 318 N NE . ARG A 1 40 ? -17.390 26.254 -17.926 1.00 72.98 40 A 1 ATOM 319 C CZ . ARG A 1 40 ? -18.656 26.029 -18.244 1.00 64.30 40 A 1 ATOM 320 N NH1 . ARG A 1 40 ? -18.991 25.192 -19.188 1.00 57.73 40 A 1 ATOM 321 N NH2 . ARG A 1 40 ? -19.616 26.649 -17.609 1.00 55.67 40 A 1 ATOM 322 N N . LEU A 1 41 ? -10.671 25.076 -19.505 1.00 95.36 41 A 1 ATOM 323 C CA . LEU A 1 41 ? -9.563 24.278 -20.034 1.00 95.09 41 A 1 ATOM 324 C C . LEU A 1 41 ? -8.317 24.407 -19.157 1.00 95.47 41 A 1 ATOM 325 O O . LEU A 1 41 ? -7.691 23.396 -18.869 1.00 94.66 41 A 1 ATOM 326 C CB . LEU A 1 41 ? -9.259 24.684 -21.483 1.00 94.58 41 A 1 ATOM 327 C CG . LEU A 1 41 ? -10.393 24.389 -22.482 1.00 93.54 41 A 1 ATOM 328 C CD1 . LEU A 1 41 ? -9.960 24.843 -23.872 1.00 89.02 41 A 1 ATOM 329 C CD2 . LEU A 1 41 ? -10.743 22.898 -22.564 1.00 88.38 41 A 1 ATOM 330 N N . GLU A 1 42 ? -8.025 25.617 -18.669 1.00 96.05 42 A 1 ATOM 331 C CA . GLU A 1 42 ? -6.956 25.837 -17.685 1.00 95.45 42 A 1 ATOM 332 C C . GLU A 1 42 ? -7.199 25.020 -16.407 1.00 95.14 42 A 1 ATOM 333 O O . GLU A 1 42 ? -6.309 24.312 -15.944 1.00 94.15 42 A 1 ATOM 334 C CB . GLU A 1 42 ? -6.873 27.338 -17.380 1.00 94.76 42 A 1 ATOM 335 C CG . GLU A 1 42 ? -5.743 27.701 -16.404 1.00 90.91 42 A 1 ATOM 336 C CD . GLU A 1 42 ? -5.713 29.203 -16.073 1.00 89.08 42 A 1 ATOM 337 O OE1 . GLU A 1 42 ? -4.611 29.729 -15.812 1.00 78.93 42 A 1 ATOM 338 O OE2 . GLU A 1 42 ? -6.795 29.835 -16.080 1.00 80.81 42 A 1 ATOM 339 N N . ALA A 1 43 ? -8.425 25.037 -15.875 1.00 95.63 43 A 1 ATOM 340 C CA . ALA A 1 43 ? -8.766 24.252 -14.687 1.00 94.89 43 A 1 ATOM 341 C C . ALA A 1 43 ? -8.626 22.735 -14.915 1.00 94.89 43 A 1 ATOM 342 O O . ALA A 1 43 ? -8.150 22.018 -14.034 1.00 93.75 43 A 1 ATOM 343 C CB . ALA A 1 43 ? -10.188 24.625 -14.251 1.00 94.52 43 A 1 ATOM 344 N N . VAL A 1 44 ? -9.017 22.241 -16.104 1.00 95.77 44 A 1 ATOM 345 C CA . VAL A 1 44 ? -8.829 20.828 -16.485 1.00 95.36 44 A 1 ATOM 346 C C . VAL A 1 44 ? -7.347 20.485 -16.588 1.00 95.46 44 A 1 ATOM 347 O O . VAL A 1 44 ? -6.947 19.421 -16.124 1.00 94.71 44 A 1 ATOM 348 C CB . VAL A 1 44 ? -9.571 20.502 -17.796 1.00 94.62 44 A 1 ATOM 349 C CG1 . VAL A 1 44 ? -9.190 19.136 -18.387 1.00 90.46 44 A 1 ATOM 350 C CG2 . VAL A 1 44 ? -11.089 20.473 -17.558 1.00 90.40 44 A 1 ATOM 351 N N . GLU A 1 45 ? -6.526 21.372 -17.154 1.00 95.33 45 A 1 ATOM 352 C CA . GLU A 1 45 ? -5.079 21.161 -17.261 1.00 94.49 45 A 1 ATOM 353 C C . GLU A 1 45 ? -4.410 21.108 -15.882 1.00 94.22 45 A 1 ATOM 354 O O . GLU A 1 45 ? -3.645 20.184 -15.613 1.00 93.09 45 A 1 ATOM 355 C CB . GLU A 1 45 ? -4.485 22.260 -18.140 1.00 93.23 45 A 1 ATOM 356 C CG . GLU A 1 45 ? -2.998 22.024 -18.441 1.00 87.73 45 A 1 ATOM 357 C CD . GLU A 1 45 ? -2.429 23.066 -19.412 1.00 89.16 45 A 1 ATOM 358 O OE1 . GLU A 1 45 ? -1.322 22.839 -19.944 1.00 79.96 45 A 1 ATOM 359 O OE2 . GLU A 1 45 ? -3.071 24.116 -19.657 1.00 83.95 45 A 1 ATOM 360 N N . VAL A 1 46 ? -4.762 22.025 -14.973 1.00 94.73 46 A 1 ATOM 361 C CA . VAL A 1 46 ? -4.275 21.997 -13.584 1.00 93.63 46 A 1 ATOM 362 C C . VAL A 1 46 ? -4.695 20.703 -12.878 1.00 93.60 46 A 1 ATOM 363 O O . VAL A 1 46 ? -3.893 20.092 -12.168 1.00 92.53 46 A 1 ATOM 364 C CB . VAL A 1 46 ? -4.777 23.232 -12.813 1.00 92.94 46 A 1 ATOM 365 C CG1 . VAL A 1 46 ? -4.451 23.169 -11.314 1.00 89.39 46 A 1 ATOM 366 C CG2 . VAL A 1 46 ? -4.139 24.516 -13.362 1.00 89.42 46 A 1 ATOM 367 N N . SER A 1 47 ? -5.931 20.254 -13.100 1.00 94.63 47 A 1 ATOM 368 C CA . SER A 1 47 ? -6.406 18.968 -12.576 1.00 93.92 47 A 1 ATOM 369 C C . SER A 1 47 ? -5.618 17.795 -13.161 1.00 94.18 47 A 1 ATOM 370 O O . SER A 1 47 ? -5.194 16.917 -12.413 1.00 93.06 47 A 1 ATOM 371 C CB . SER A 1 47 ? -7.899 18.810 -12.855 1.00 93.07 47 A 1 ATOM 372 O OG . SER A 1 47 ? -8.397 17.624 -12.271 1.00 87.35 47 A 1 ATOM 373 N N . ALA A 1 48 ? -5.358 17.798 -14.475 1.00 94.44 48 A 1 ATOM 374 C CA . ALA A 1 48 ? -4.566 16.764 -15.139 1.00 93.95 48 A 1 ATOM 375 C C . ALA A 1 48 ? -3.109 16.736 -14.644 1.00 94.21 48 A 1 ATOM 376 O O . ALA A 1 48 ? -2.568 15.656 -14.404 1.00 93.30 48 A 1 ATOM 377 C CB . ALA A 1 48 ? -4.650 16.976 -16.655 1.00 93.12 48 A 1 ATOM 378 N N . ASP A 1 49 ? -2.488 17.902 -14.425 1.00 94.22 49 A 1 ATOM 379 C CA . ASP A 1 49 ? -1.145 17.996 -13.838 1.00 93.41 49 A 1 ATOM 380 C C . ASP A 1 49 ? -1.109 17.386 -12.423 1.00 93.53 49 A 1 ATOM 381 O O . ASP A 1 49 ? -0.137 16.717 -12.063 1.00 92.06 49 A 1 ATOM 382 C CB . ASP A 1 49 ? -0.675 19.465 -13.806 1.00 91.97 49 A 1 ATOM 383 C CG . ASP A 1 49 ? -0.049 20.003 -15.109 1.00 85.93 49 A 1 ATOM 384 O OD1 . ASP A 1 49 ? 0.276 19.206 -16.017 1.00 78.85 49 A 1 ATOM 385 O OD2 . ASP A 1 49 ? 0.263 21.225 -15.137 1.00 78.57 49 A 1 ATOM 386 N N . SER A 1 50 ? -2.176 17.554 -11.631 1.00 93.83 50 A 1 ATOM 387 C CA . SER A 1 50 ? -2.263 16.937 -10.298 1.00 92.94 50 A 1 ATOM 388 C C . SER A 1 50 ? -2.319 15.404 -10.350 1.00 93.41 50 A 1 ATOM 389 O O . SER A 1 50 ? -1.726 14.744 -9.492 1.00 91.28 50 A 1 ATOM 390 C CB . SER A 1 50 ? -3.427 17.522 -9.490 1.00 91.38 50 A 1 ATOM 391 O OG . SER A 1 50 ? -4.693 17.028 -9.873 1.00 83.92 50 A 1 ATOM 392 N N . LEU A 1 51 ? -2.928 14.830 -11.400 1.00 93.60 51 A 1 ATOM 393 C CA . LEU A 1 51 ? -2.984 13.375 -11.596 1.00 93.42 51 A 1 ATOM 394 C C . LEU A 1 51 ? -1.606 12.751 -11.858 1.00 94.25 51 A 1 ATOM 395 O O . LEU A 1 51 ? -1.419 11.567 -11.589 1.00 93.11 51 A 1 ATOM 396 C CB . LEU A 1 51 ? -3.945 13.024 -12.745 1.00 92.24 51 A 1 ATOM 397 C CG . LEU A 1 51 ? -5.431 13.330 -12.477 1.00 88.67 51 A 1 ATOM 398 C CD1 . LEU A 1 51 ? -6.243 13.040 -13.740 1.00 83.67 51 A 1 ATOM 399 C CD2 . LEU A 1 51 ? -6.000 12.478 -11.340 1.00 83.28 51 A 1 ATOM 400 N N . LEU A 1 52 ? -0.613 13.524 -12.319 1.00 93.73 52 A 1 ATOM 401 C CA . LEU A 1 52 ? 0.756 13.017 -12.480 1.00 93.42 52 A 1 ATOM 402 C C . LEU A 1 52 ? 1.373 12.580 -11.145 1.00 93.68 52 A 1 ATOM 403 O O . LEU A 1 52 ? 2.165 11.637 -11.112 1.00 92.55 52 A 1 ATOM 404 C CB . LEU A 1 52 ? 1.645 14.089 -13.131 1.00 92.44 52 A 1 ATOM 405 C CG . LEU A 1 52 ? 1.266 14.452 -14.578 1.00 87.34 52 A 1 ATOM 406 C CD1 . LEU A 1 52 ? 2.154 15.603 -15.054 1.00 80.33 52 A 1 ATOM 407 C CD2 . LEU A 1 52 ? 1.470 13.271 -15.534 1.00 79.65 52 A 1 ATOM 408 N N . LEU A 1 53 ? 1.020 13.252 -10.046 1.00 93.47 53 A 1 ATOM 409 C CA . LEU A 1 53 ? 1.462 12.861 -8.705 1.00 92.98 53 A 1 ATOM 410 C C . LEU A 1 53 ? 0.749 11.589 -8.229 1.00 93.78 53 A 1 ATOM 411 O O . LEU A 1 53 ? 1.354 10.774 -7.533 1.00 92.27 53 A 1 ATOM 412 C CB . LEU A 1 53 ? 1.228 14.023 -7.724 1.00 91.24 53 A 1 ATOM 413 C CG . LEU A 1 53 ? 2.028 15.299 -8.041 1.00 86.34 53 A 1 ATOM 414 C CD1 . LEU A 1 53 ? 1.624 16.415 -7.081 1.00 79.52 53 A 1 ATOM 415 C CD2 . LEU A 1 53 ? 3.540 15.077 -7.906 1.00 79.03 53 A 1 ATOM 416 N N . GLU A 1 54 ? -0.496 11.396 -8.670 1.00 92.87 54 A 1 ATOM 417 C CA . GLU A 1 54 ? -1.334 10.240 -8.335 1.00 92.82 54 A 1 ATOM 418 C C . GLU A 1 54 ? -0.914 8.955 -9.072 1.00 93.78 54 A 1 ATOM 419 O O . GLU A 1 54 ? -1.307 7.858 -8.680 1.00 91.75 54 A 1 ATOM 420 C CB . GLU A 1 54 ? -2.802 10.569 -8.650 1.00 91.84 54 A 1 ATOM 421 C CG . GLU A 1 54 ? -3.360 11.784 -7.893 1.00 89.08 54 A 1 ATOM 422 C CD . GLU A 1 54 ? -3.520 11.548 -6.381 1.00 90.44 54 A 1 ATOM 423 O OE1 . GLU A 1 54 ? -3.389 12.522 -5.604 1.00 82.14 54 A 1 ATOM 424 O OE2 . GLU A 1 54 ? -3.812 10.407 -5.967 1.00 84.35 54 A 1 ATOM 425 N N . MET A 1 55 ? -0.060 9.049 -10.108 1.00 94.80 55 A 1 ATOM 426 C CA . MET A 1 55 ? 0.494 7.881 -10.812 1.00 94.29 55 A 1 ATOM 427 C C . MET A 1 55 ? 1.377 6.996 -9.928 1.00 94.92 55 A 1 ATOM 428 O O . MET A 1 55 ? 1.684 5.863 -10.309 1.00 93.13 55 A 1 ATOM 429 C CB . MET A 1 55 ? 1.343 8.328 -12.008 1.00 92.51 55 A 1 ATOM 430 C CG . MET A 1 55 ? 0.530 8.940 -13.149 1.00 84.79 55 A 1 ATOM 431 S SD . MET A 1 55 ? 1.542 9.377 -14.593 1.00 78.50 55 A 1 ATOM 432 C CE . MET A 1 55 ? 2.014 7.732 -15.183 1.00 68.22 55 A 1 ATOM 433 N N . ARG A 1 56 ? 1.856 7.516 -8.802 1.00 95.13 56 A 1 ATOM 434 C CA . ARG A 1 56 ? 2.686 6.776 -7.851 1.00 94.88 56 A 1 ATOM 435 C C . ARG A 1 56 ? 1.913 6.538 -6.559 1.00 95.57 56 A 1 ATOM 436 O O . ARG A 1 56 ? 1.419 7.508 -5.984 1.00 94.60 56 A 1 ATOM 437 C CB . ARG A 1 56 ? 3.983 7.529 -7.566 1.00 93.52 56 A 1 ATOM 438 C CG . ARG A 1 56 ? 4.885 7.600 -8.801 1.00 88.29 56 A 1 ATOM 439 C CD . ARG A 1 56 ? 6.238 8.178 -8.391 1.00 83.45 56 A 1 ATOM 440 N NE . ARG A 1 56 ? 7.150 8.272 -9.540 1.00 74.27 56 A 1 ATOM 441 C CZ . ARG A 1 56 ? 8.428 8.585 -9.480 1.00 66.70 56 A 1 ATOM 442 N NH1 . ARG A 1 56 ? 9.015 8.853 -8.344 1.00 62.30 56 A 1 ATOM 443 N NH2 . ARG A 1 56 ? 9.142 8.637 -10.572 1.00 58.66 56 A 1 ATOM 444 N N . PRO A 1 57 ? 1.874 5.281 -6.076 1.00 94.97 57 A 1 ATOM 445 C CA . PRO A 1 57 ? 1.127 4.955 -4.861 1.00 94.52 57 A 1 ATOM 446 C C . PRO A 1 57 ? 1.638 5.696 -3.618 1.00 94.99 57 A 1 ATOM 447 O O . PRO A 1 57 ? 0.860 5.976 -2.711 1.00 93.89 57 A 1 ATOM 448 C CB . PRO A 1 57 ? 1.253 3.433 -4.722 1.00 93.16 57 A 1 ATOM 449 C CG . PRO A 1 57 ? 2.554 3.089 -5.445 1.00 91.08 57 A 1 ATOM 450 C CD . PRO A 1 57 ? 2.567 4.101 -6.584 1.00 92.95 57 A 1 ATOM 451 N N . GLU A 1 58 ? 2.921 6.090 -3.583 1.00 93.76 58 A 1 ATOM 452 C CA . GLU A 1 58 ? 3.501 6.829 -2.452 1.00 92.96 58 A 1 ATOM 453 C C . GLU A 1 58 ? 2.918 8.244 -2.292 1.00 93.10 58 A 1 ATOM 454 O O . GLU A 1 58 ? 2.840 8.768 -1.175 1.00 91.59 58 A 1 ATOM 455 C CB . GLU A 1 58 ? 5.030 6.941 -2.606 1.00 91.77 58 A 1 ATOM 456 C CG . GLU A 1 58 ? 5.773 5.604 -2.775 1.00 88.04 58 A 1 ATOM 457 C CD . GLU A 1 58 ? 5.876 5.110 -4.233 1.00 86.79 58 A 1 ATOM 458 O OE1 . GLU A 1 58 ? 6.622 4.143 -4.478 1.00 78.22 58 A 1 ATOM 459 O OE2 . GLU A 1 58 ? 5.225 5.714 -5.126 1.00 78.62 58 A 1 ATOM 460 N N . ASN A 1 59 ? 2.519 8.861 -3.403 1.00 94.19 59 A 1 ATOM 461 C CA . ASN A 1 59 ? 2.050 10.244 -3.443 1.00 93.92 59 A 1 ATOM 462 C C . ASN A 1 59 ? 0.529 10.350 -3.595 1.00 94.66 59 A 1 ATOM 463 O O . ASN A 1 59 ? 0.001 11.458 -3.507 1.00 92.45 59 A 1 ATOM 464 C CB . ASN A 1 59 ? 2.777 10.980 -4.576 1.00 92.83 59 A 1 ATOM 465 C CG . ASN A 1 59 ? 4.275 11.099 -4.368 1.00 90.62 59 A 1 ATOM 466 O OD1 . ASN A 1 59 ? 4.811 11.177 -3.273 1.00 79.14 59 A 1 ATOM 467 N ND2 . ASN A 1 59 ? 5.024 11.145 -5.444 1.00 80.20 59 A 1 ATOM 468 N N . THR A 1 60 ? -0.163 9.230 -3.816 1.00 94.38 60 A 1 ATOM 469 C CA . THR A 1 60 ? -1.602 9.227 -4.084 1.00 94.67 60 A 1 ATOM 470 C C . THR A 1 60 ? -2.410 9.812 -2.922 1.00 94.40 60 A 1 ATOM 471 O O . THR A 1 60 ? -2.169 9.509 -1.744 1.00 92.88 60 A 1 ATOM 472 C CB . THR A 1 60 ? -2.113 7.844 -4.506 1.00 94.27 60 A 1 ATOM 473 O OG1 . THR A 1 60 ? -3.441 7.960 -4.961 1.00 85.66 60 A 1 ATOM 474 C CG2 . THR A 1 60 ? -2.112 6.796 -3.397 1.00 84.59 60 A 1 ATOM 475 N N . GLN A 1 61 ? -3.356 10.671 -3.262 1.00 95.02 61 A 1 ATOM 476 C CA . GLN A 1 61 ? -4.325 11.261 -2.342 1.00 93.93 61 A 1 ATOM 477 C C . GLN A 1 61 ? -5.765 11.075 -2.824 1.00 93.94 61 A 1 ATOM 478 O O . GLN A 1 61 ? -6.649 10.859 -1.999 1.00 91.72 61 A 1 ATOM 479 C CB . GLN A 1 61 ? -4.043 12.757 -2.140 1.00 92.22 61 A 1 ATOM 480 C CG . GLN A 1 61 ? -2.674 13.019 -1.512 1.00 85.42 61 A 1 ATOM 481 C CD . GLN A 1 61 ? -2.449 14.469 -1.094 1.00 79.90 61 A 1 ATOM 482 O OE1 . GLN A 1 61 ? -3.303 15.337 -1.156 1.00 70.86 61 A 1 ATOM 483 N NE2 . GLN A 1 61 ? -1.273 14.797 -0.601 1.00 67.30 61 A 1 ATOM 484 N N . GLN A 1 62 ? -5.990 11.171 -4.132 1.00 94.71 62 A 1 ATOM 485 C CA . GLN A 1 62 ? -7.320 11.129 -4.742 1.00 94.15 62 A 1 ATOM 486 C C . GLN A 1 62 ? -7.658 9.735 -5.277 1.00 94.92 62 A 1 ATOM 487 O O . GLN A 1 62 ? -8.789 9.288 -5.123 1.00 93.78 62 A 1 ATOM 488 C CB . GLN A 1 62 ? -7.415 12.177 -5.864 1.00 92.56 62 A 1 ATOM 489 C CG . GLN A 1 62 ? -7.137 13.601 -5.362 1.00 86.80 62 A 1 ATOM 490 C CD . GLN A 1 62 ? -7.260 14.675 -6.442 1.00 84.07 62 A 1 ATOM 491 O OE1 . GLN A 1 62 ? -7.826 14.509 -7.509 1.00 75.77 62 A 1 ATOM 492 N NE2 . GLN A 1 62 ? -6.751 15.861 -6.197 1.00 72.92 62 A 1 ATOM 493 N N . LEU A 1 63 ? -6.675 9.044 -5.862 1.00 94.69 63 A 1 ATOM 494 C CA . LEU A 1 63 ? -6.869 7.748 -6.515 1.00 95.43 63 A 1 ATOM 495 C C . LEU A 1 63 ? -6.626 6.550 -5.586 1.00 96.09 63 A 1 ATOM 496 O O . LEU A 1 63 ? -6.436 5.432 -6.062 1.00 95.34 63 A 1 ATOM 497 C CB . LEU A 1 63 ? -6.013 7.677 -7.794 1.00 95.03 63 A 1 ATOM 498 C CG . LEU A 1 63 ? -6.302 8.763 -8.843 1.00 93.54 63 A 1 ATOM 499 C CD1 . LEU A 1 63 ? -5.434 8.505 -10.078 1.00 88.74 63 A 1 ATOM 500 C CD2 . LEU A 1 63 ? -7.761 8.792 -9.290 1.00 88.80 63 A 1 ATOM 501 N N . LEU A 1 64 ? -6.611 6.752 -4.268 1.00 95.74 64 A 1 ATOM 502 C CA . LEU A 1 64 ? -6.335 5.671 -3.316 1.00 95.83 64 A 1 ATOM 503 C C . LEU A 1 64 ? -7.320 4.500 -3.468 1.00 96.27 64 A 1 ATOM 504 O O . LEU A 1 64 ? -6.884 3.351 -3.483 1.00 95.54 64 A 1 ATOM 505 C CB . LEU A 1 64 ? -6.338 6.230 -1.881 1.00 94.79 64 A 1 ATOM 506 C CG . LEU A 1 64 ? -6.001 5.175 -0.808 1.00 93.05 64 A 1 ATOM 507 C CD1 . LEU A 1 64 ? -4.581 4.611 -0.961 1.00 87.23 64 A 1 ATOM 508 C CD2 . LEU A 1 64 ? -6.104 5.793 0.585 1.00 87.23 64 A 1 ATOM 509 N N . ASP A 1 65 ? -8.610 4.795 -3.629 1.00 95.99 65 A 1 ATOM 510 C CA . ASP A 1 65 ? -9.645 3.763 -3.783 1.00 95.87 65 A 1 ATOM 511 C C . ASP A 1 65 ? -9.457 2.958 -5.084 1.00 96.52 65 A 1 ATOM 512 O O . ASP A 1 65 ? -9.612 1.736 -5.089 1.00 95.71 65 A 1 ATOM 513 C CB . ASP A 1 65 ? -11.034 4.415 -3.737 1.00 94.72 65 A 1 ATOM 514 C CG . ASP A 1 65 ? -11.383 5.096 -2.398 1.00 92.13 65 A 1 ATOM 515 O OD1 . ASP A 1 65 ? -10.751 4.786 -1.352 1.00 85.89 65 A 1 ATOM 516 O OD2 . ASP A 1 65 ? -12.310 5.937 -2.398 1.00 85.74 65 A 1 ATOM 517 N N . GLU A 1 66 ? -9.035 3.607 -6.182 1.00 96.29 66 A 1 ATOM 518 C CA . GLU A 1 66 ? -8.728 2.936 -7.455 1.00 96.33 66 A 1 ATOM 519 C C . GLU A 1 66 ? -7.474 2.056 -7.340 1.00 96.90 66 A 1 ATOM 520 O O . GLU A 1 66 ? -7.432 0.944 -7.868 1.00 96.27 66 A 1 ATOM 521 C CB . GLU A 1 66 ? -8.532 3.961 -8.583 1.00 95.80 66 A 1 ATOM 522 C CG . GLU A 1 66 ? -9.797 4.778 -8.908 1.00 91.65 66 A 1 ATOM 523 C CD . GLU A 1 66 ? -9.635 5.709 -10.126 1.00 87.36 66 A 1 ATOM 524 O OE1 . GLU A 1 66 ? -10.487 6.613 -10.285 1.00 76.67 66 A 1 ATOM 525 O OE2 . GLU A 1 66 ? -8.690 5.507 -10.925 1.00 77.12 66 A 1 ATOM 526 N N . TRP A 1 67 ? -6.452 2.523 -6.616 1.00 97.04 67 A 1 ATOM 527 C CA . TRP A 1 67 ? -5.263 1.725 -6.311 1.00 97.16 67 A 1 ATOM 528 C C . TRP A 1 67 ? -5.599 0.498 -5.461 1.00 97.14 67 A 1 ATOM 529 O O . TRP A 1 67 ? -5.081 -0.590 -5.726 1.00 96.38 67 A 1 ATOM 530 C CB . TRP A 1 67 ? -4.222 2.598 -5.599 1.00 97.03 67 A 1 ATOM 531 C CG . TRP A 1 67 ? -3.362 3.417 -6.511 1.00 97.02 67 A 1 ATOM 532 C CD1 . TRP A 1 67 ? -3.368 4.763 -6.630 1.00 95.03 67 A 1 ATOM 533 C CD2 . TRP A 1 67 ? -2.347 2.938 -7.441 1.00 96.05 67 A 1 ATOM 534 N NE1 . TRP A 1 67 ? -2.432 5.158 -7.563 1.00 94.74 67 A 1 ATOM 535 C CE2 . TRP A 1 67 ? -1.772 4.069 -8.097 1.00 95.49 67 A 1 ATOM 536 C CE3 . TRP A 1 67 ? -1.856 1.665 -7.801 1.00 95.21 67 A 1 ATOM 537 C CZ2 . TRP A 1 67 ? -0.757 3.944 -9.058 1.00 94.28 67 A 1 ATOM 538 C CZ3 . TRP A 1 67 ? -0.843 1.528 -8.763 1.00 93.16 67 A 1 ATOM 539 C CH2 . TRP A 1 67 ? -0.292 2.664 -9.393 1.00 92.81 67 A 1 ATOM 540 N N . GLU A 1 68 ? -6.465 0.651 -4.470 1.00 95.84 68 A 1 ATOM 541 C CA . GLU A 1 68 ? -6.933 -0.470 -3.650 1.00 94.97 68 A 1 ATOM 542 C C . GLU A 1 68 ? -7.715 -1.491 -4.480 1.00 95.13 68 A 1 ATOM 543 O O . GLU A 1 68 ? -7.444 -2.687 -4.375 1.00 94.37 68 A 1 ATOM 544 C CB . GLU A 1 68 ? -7.804 0.038 -2.495 1.00 93.74 68 A 1 ATOM 545 C CG . GLU A 1 68 ? -6.977 0.692 -1.384 1.00 91.91 68 A 1 ATOM 546 C CD . GLU A 1 68 ? -7.853 1.231 -0.243 1.00 91.09 68 A 1 ATOM 547 O OE1 . GLU A 1 68 ? -7.301 1.677 0.792 1.00 85.15 68 A 1 ATOM 548 O OE2 . GLU A 1 68 ? -9.100 1.262 -0.361 1.00 86.31 68 A 1 ATOM 549 N N . GLU A 1 69 ? -8.625 -1.043 -5.350 1.00 96.30 69 A 1 ATOM 550 C CA . GLU A 1 69 ? -9.369 -1.924 -6.254 1.00 96.33 69 A 1 ATOM 551 C C . GLU A 1 69 ? -8.423 -2.662 -7.213 1.00 96.09 69 A 1 ATOM 552 O O . GLU A 1 69 ? -8.496 -3.891 -7.337 1.00 94.85 69 A 1 ATOM 553 C CB . GLU A 1 69 ? -10.435 -1.114 -7.015 1.00 96.31 69 A 1 ATOM 554 C CG . GLU A 1 69 ? -11.329 -2.032 -7.878 1.00 88.92 69 A 1 ATOM 555 C CD . GLU A 1 69 ? -12.465 -1.312 -8.627 1.00 85.68 69 A 1 ATOM 556 O OE1 . GLU A 1 69 ? -13.242 -2.036 -9.301 1.00 77.18 69 A 1 ATOM 557 O OE2 . GLU A 1 69 ? -12.576 -0.076 -8.541 1.00 79.62 69 A 1 ATOM 558 N N . TYR A 1 70 ? -7.481 -1.939 -7.838 1.00 96.38 70 A 1 ATOM 559 C CA . TYR A 1 70 ? -6.496 -2.515 -8.754 1.00 96.33 70 A 1 ATOM 560 C C . TYR A 1 70 ? -5.626 -3.587 -8.091 1.00 96.22 70 A 1 ATOM 561 O O . TYR A 1 70 ? -5.333 -4.627 -8.686 1.00 94.89 70 A 1 ATOM 562 C CB . TYR A 1 70 ? -5.620 -1.382 -9.309 1.00 96.13 70 A 1 ATOM 563 C CG . TYR A 1 70 ? -4.471 -1.873 -10.171 1.00 95.54 70 A 1 ATOM 564 C CD1 . TYR A 1 70 ? -3.151 -1.865 -9.669 1.00 91.59 70 A 1 ATOM 565 C CD2 . TYR A 1 70 ? -4.727 -2.390 -11.456 1.00 92.07 70 A 1 ATOM 566 C CE1 . TYR A 1 70 ? -2.093 -2.369 -10.454 1.00 91.48 70 A 1 ATOM 567 C CE2 . TYR A 1 70 ? -3.674 -2.900 -12.243 1.00 92.04 70 A 1 ATOM 568 C CZ . TYR A 1 70 ? -2.356 -2.888 -11.741 1.00 92.90 70 A 1 ATOM 569 O OH . TYR A 1 70 ? -1.337 -3.386 -12.496 1.00 91.19 70 A 1 ATOM 570 N N . LEU A 1 71 ? -5.214 -3.341 -6.851 1.00 95.03 71 A 1 ATOM 571 C CA . LEU A 1 71 ? -4.386 -4.273 -6.090 1.00 94.32 71 A 1 ATOM 572 C C . LEU A 1 71 ? -5.215 -5.334 -5.352 1.00 93.66 71 A 1 ATOM 573 O O . LEU A 1 71 ? -4.638 -6.277 -4.824 1.00 91.85 71 A 1 ATOM 574 C CB . LEU A 1 71 ? -3.468 -3.473 -5.148 1.00 94.41 71 A 1 ATOM 575 C CG . LEU A 1 71 ? -2.425 -2.606 -5.883 1.00 94.00 71 A 1 ATOM 576 C CD1 . LEU A 1 71 ? -1.693 -1.722 -4.881 1.00 90.76 71 A 1 ATOM 577 C CD2 . LEU A 1 71 ? -1.362 -3.458 -6.603 1.00 90.46 71 A 1 ATOM 578 N N . GLY A 1 72 ? -6.543 -5.241 -5.330 1.00 93.70 72 A 1 ATOM 579 C CA . GLY A 1 72 ? -7.402 -6.150 -4.560 1.00 92.14 72 A 1 ATOM 580 C C . GLY A 1 72 ? -7.198 -6.007 -3.046 1.00 91.42 72 A 1 ATOM 581 O O . GLY A 1 72 ? -7.017 -7.005 -2.346 1.00 89.01 72 A 1 ATOM 582 N N . LEU A 1 73 ? -7.143 -4.774 -2.569 1.00 91.06 73 A 1 ATOM 583 C CA . LEU A 1 73 ? -7.145 -4.405 -1.152 1.00 90.06 73 A 1 ATOM 584 C C . LEU A 1 73 ? -8.583 -4.068 -0.705 1.00 89.04 73 A 1 ATOM 585 O O . LEU A 1 73 ? -9.400 -3.680 -1.540 1.00 85.68 73 A 1 ATOM 586 C CB . LEU A 1 73 ? -6.178 -3.226 -0.935 1.00 88.97 73 A 1 ATOM 587 C CG . LEU A 1 73 ? -4.688 -3.596 -1.031 1.00 87.89 73 A 1 ATOM 588 C CD1 . LEU A 1 73 ? -3.832 -2.331 -1.034 1.00 83.81 73 A 1 ATOM 589 C CD2 . LEU A 1 73 ? -4.229 -4.467 0.148 1.00 83.77 73 A 1 ATOM 590 N N . PRO A 1 74 ? -8.927 -4.170 0.575 1.00 87.98 74 A 1 ATOM 591 C CA . PRO A 1 74 ? -8.088 -4.622 1.686 1.00 86.72 74 A 1 ATOM 592 C C . PRO A 1 74 ? -8.004 -6.156 1.783 1.00 87.17 74 A 1 ATOM 593 O O . PRO A 1 74 ? -9.002 -6.859 1.636 1.00 83.59 74 A 1 ATOM 594 C CB . PRO A 1 74 ? -8.743 -4.024 2.930 1.00 83.50 74 A 1 ATOM 595 C CG . PRO A 1 74 ? -10.229 -4.006 2.567 1.00 80.15 74 A 1 ATOM 596 C CD . PRO A 1 74 ? -10.220 -3.735 1.064 1.00 83.41 74 A 1 ATOM 597 N N . GLU A 1 75 ? -6.813 -6.676 2.066 1.00 84.56 75 A 1 ATOM 598 C CA . GLU A 1 75 ? -6.594 -8.121 2.260 1.00 83.27 75 A 1 ATOM 599 C C . GLU A 1 75 ? -7.149 -8.613 3.600 1.00 83.09 75 A 1 ATOM 600 O O . GLU A 1 75 ? -7.650 -9.735 3.700 1.00 79.82 75 A 1 ATOM 601 C CB . GLU A 1 75 ? -5.093 -8.424 2.191 1.00 81.46 75 A 1 ATOM 602 C CG . GLU A 1 75 ? -4.565 -8.172 0.779 1.00 77.77 75 A 1 ATOM 603 C CD . GLU A 1 75 ? -3.063 -8.408 0.630 1.00 76.90 75 A 1 ATOM 604 O OE1 . GLU A 1 75 ? -2.640 -8.485 -0.548 1.00 71.11 75 A 1 ATOM 605 O OE2 . GLU A 1 75 ? -2.325 -8.487 1.630 1.00 71.45 75 A 1 ATOM 606 N N . CYS A 1 76 ? -7.075 -7.759 4.602 1.00 83.16 76 A 1 ATOM 607 C CA . CYS A 1 76 ? -7.572 -8.007 5.946 1.00 81.52 76 A 1 ATOM 608 C C . CYS A 1 76 ? -8.571 -6.917 6.330 1.00 81.48 76 A 1 ATOM 609 O O . CYS A 1 76 ? -8.254 -5.730 6.274 1.00 78.31 76 A 1 ATOM 610 C CB . CYS A 1 76 ? -6.385 -8.074 6.904 1.00 79.60 76 A 1 ATOM 611 S SG . CYS A 1 76 ? -5.283 -9.460 6.513 1.00 75.16 76 A 1 ATOM 612 N N . GLN A 1 77 ? -9.779 -7.321 6.694 1.00 81.50 77 A 1 ATOM 613 C CA . GLN A 1 77 ? -10.818 -6.385 7.119 1.00 79.20 77 A 1 ATOM 614 C C . GLN A 1 77 ? -10.549 -5.925 8.551 1.00 79.30 77 A 1 ATOM 615 O O . GLN A 1 77 ? -11.009 -6.535 9.518 1.00 76.54 77 A 1 ATOM 616 C CB . GLN A 1 77 ? -12.216 -7.007 6.969 1.00 76.55 77 A 1 ATOM 617 C CG . GLN A 1 77 ? -12.605 -7.219 5.502 1.00 70.18 77 A 1 ATOM 618 C CD . GLN A 1 77 ? -14.055 -7.659 5.328 1.00 64.18 77 A 1 ATOM 619 O OE1 . GLN A 1 77 ? -14.804 -7.884 6.261 1.00 60.19 77 A 1 ATOM 620 N NE2 . GLN A 1 77 ? -14.515 -7.795 4.102 1.00 54.27 77 A 1 ATOM 621 N N . VAL A 1 78 ? -9.796 -4.838 8.680 1.00 77.31 78 A 1 ATOM 622 C CA . VAL A 1 78 ? -9.556 -4.170 9.959 1.00 75.72 78 A 1 ATOM 623 C C . VAL A 1 78 ? -10.415 -2.912 10.017 1.00 76.95 78 A 1 ATOM 624 O O . VAL A 1 78 ? -10.435 -2.112 9.079 1.00 73.45 78 A 1 ATOM 625 C CB . VAL A 1 78 ? -8.065 -3.879 10.171 1.00 72.03 78 A 1 ATOM 626 C CG1 . VAL A 1 78 ? -7.821 -3.293 11.564 1.00 65.97 78 A 1 ATOM 627 C CG2 . VAL A 1 78 ? -7.237 -5.169 10.045 1.00 66.61 78 A 1 ATOM 628 N N . GLN A 1 79 ? -11.153 -2.748 11.103 1.00 76.09 79 A 1 ATOM 629 C CA . GLN A 1 79 ? -11.981 -1.559 11.304 1.00 74.77 79 A 1 ATOM 630 C C . GLN A 1 79 ? -11.101 -0.337 11.608 1.00 74.68 79 A 1 ATOM 631 O O . GLN A 1 79 ? -10.049 -0.459 12.227 1.00 69.10 79 A 1 ATOM 632 C CB . GLN A 1 79 ? -13.020 -1.812 12.406 1.00 71.78 79 A 1 ATOM 633 C CG . GLN A 1 79 ? -14.029 -2.911 12.008 1.00 66.10 79 A 1 ATOM 634 C CD . GLN A 1 79 ? -15.155 -3.104 13.023 1.00 59.62 79 A 1 ATOM 635 O OE1 . GLN A 1 79 ? -15.224 -2.483 14.070 1.00 55.57 79 A 1 ATOM 636 N NE2 . GLN A 1 79 ? -16.099 -3.974 12.744 1.00 50.92 79 A 1 ATOM 637 N N . ASN A 1 80 ? -11.569 0.849 11.191 1.00 73.58 80 A 1 ATOM 638 C CA . ASN A 1 80 ? -10.927 2.142 11.476 1.00 73.47 80 A 1 ATOM 639 C C . ASN A 1 80 ? -9.496 2.307 10.929 1.00 75.07 80 A 1 ATOM 640 O O . ASN A 1 80 ? -8.617 2.832 11.613 1.00 71.06 80 A 1 ATOM 641 C CB . ASN A 1 80 ? -11.038 2.469 12.978 1.00 69.42 80 A 1 ATOM 642 C CG . ASN A 1 80 ? -12.460 2.476 13.489 1.00 62.64 80 A 1 ATOM 643 O OD1 . ASN A 1 80 ? -13.402 2.811 12.791 1.00 57.01 80 A 1 ATOM 644 N ND2 . ASN A 1 80 ? -12.669 2.115 14.734 1.00 55.85 80 A 1 ATOM 645 N N . GLN A 1 81 ? -9.254 1.903 9.675 1.00 74.59 81 A 1 ATOM 646 C CA . GLN A 1 81 ? -7.999 2.211 8.990 1.00 76.07 81 A 1 ATOM 647 C C . GLN A 1 81 ? -7.877 3.717 8.718 1.00 77.90 81 A 1 ATOM 648 O O . GLN A 1 81 ? -8.804 4.357 8.217 1.00 76.36 81 A 1 ATOM 649 C CB . GLN A 1 81 ? -7.875 1.401 7.695 1.00 75.16 81 A 1 ATOM 650 C CG . GLN A 1 81 ? -7.664 -0.096 7.982 1.00 70.98 81 A 1 ATOM 651 C CD . GLN A 1 81 ? -7.459 -0.920 6.716 1.00 69.09 81 A 1 ATOM 652 O OE1 . GLN A 1 81 ? -7.732 -0.497 5.608 1.00 65.27 81 A 1 ATOM 653 N NE2 . GLN A 1 81 ? -6.978 -2.135 6.821 1.00 61.08 81 A 1 ATOM 654 N N . THR A 1 82 ? -6.707 4.282 9.032 1.00 80.86 82 A 1 ATOM 655 C CA . THR A 1 82 ? -6.372 5.667 8.685 1.00 81.19 82 A 1 ATOM 656 C C . THR A 1 82 ? -5.975 5.758 7.214 1.00 83.75 82 A 1 ATOM 657 O O . THR A 1 82 ? -5.516 4.783 6.618 1.00 83.65 82 A 1 ATOM 658 C CB . THR A 1 82 ? -5.263 6.237 9.580 1.00 79.82 82 A 1 ATOM 659 O OG1 . THR A 1 82 ? -4.057 5.540 9.387 1.00 74.07 82 A 1 ATOM 660 C CG2 . THR A 1 82 ? -5.615 6.181 11.066 1.00 72.45 82 A 1 ATOM 661 N N . PHE A 1 83 ? -6.096 6.943 6.624 1.00 86.89 83 A 1 ATOM 662 C CA . PHE A 1 83 ? -5.668 7.185 5.244 1.00 88.81 83 A 1 ATOM 663 C C . PHE A 1 83 ? -4.193 6.803 5.019 1.00 89.37 83 A 1 ATOM 664 O O . PHE A 1 83 ? -3.848 6.194 4.010 1.00 88.93 83 A 1 ATOM 665 C CB . PHE A 1 83 ? -5.925 8.661 4.924 1.00 89.89 83 A 1 ATOM 666 C CG . PHE A 1 83 ? -5.524 9.044 3.519 1.00 91.07 83 A 1 ATOM 667 C CD1 . PHE A 1 83 ? -4.259 9.605 3.276 1.00 87.85 83 A 1 ATOM 668 C CD2 . PHE A 1 83 ? -6.404 8.801 2.449 1.00 88.75 83 A 1 ATOM 669 C CE1 . PHE A 1 83 ? -3.875 9.910 1.960 1.00 89.25 83 A 1 ATOM 670 C CE2 . PHE A 1 83 ? -6.017 9.106 1.138 1.00 89.80 83 A 1 ATOM 671 C CZ . PHE A 1 83 ? -4.750 9.659 0.894 1.00 90.74 83 A 1 ATOM 672 N N . GLU A 1 84 ? -3.322 7.101 5.987 1.00 84.51 84 A 1 ATOM 673 C CA . GLU A 1 84 ? -1.901 6.757 5.927 1.00 82.22 84 A 1 ATOM 674 C C . GLU A 1 84 ? -1.669 5.243 5.961 1.00 81.37 84 A 1 ATOM 675 O O . GLU A 1 84 ? -0.871 4.738 5.179 1.00 79.53 84 A 1 ATOM 676 C CB . GLU A 1 84 ? -1.150 7.421 7.087 1.00 81.93 84 A 1 ATOM 677 C CG . GLU A 1 84 ? -1.154 8.951 6.969 1.00 74.04 84 A 1 ATOM 678 C CD . GLU A 1 84 ? -0.370 9.646 8.097 1.00 68.66 84 A 1 ATOM 679 O OE1 . GLU A 1 84 ? -0.153 10.868 7.954 1.00 62.65 84 A 1 ATOM 680 O OE2 . GLU A 1 84 ? -0.025 8.970 9.085 1.00 60.97 84 A 1 ATOM 681 N N . SER A 1 85 ? -2.400 4.500 6.801 1.00 79.64 85 A 1 ATOM 682 C CA . SER A 1 85 ? -2.278 3.040 6.866 1.00 77.72 85 A 1 ATOM 683 C C . SER A 1 85 ? -2.763 2.361 5.584 1.00 79.52 85 A 1 ATOM 684 O O . SER A 1 85 ? -2.118 1.430 5.103 1.00 78.72 85 A 1 ATOM 685 C CB . SER A 1 85 ? -2.997 2.469 8.098 1.00 74.37 85 A 1 ATOM 686 O OG . SER A 1 85 ? -4.403 2.645 8.058 1.00 63.49 85 A 1 ATOM 687 N N . ARG A 1 86 ? -3.848 2.870 4.976 1.00 85.36 86 A 1 ATOM 688 C CA . ARG A 1 86 ? -4.343 2.396 3.673 1.00 86.96 86 A 1 ATOM 689 C C . ARG A 1 86 ? -3.315 2.645 2.569 1.00 88.21 86 A 1 ATOM 690 O O . ARG A 1 86 ? -2.999 1.733 1.813 1.00 88.47 86 A 1 ATOM 691 C CB . ARG A 1 86 ? -5.676 3.084 3.326 1.00 88.13 86 A 1 ATOM 692 C CG . ARG A 1 86 ? -6.845 2.605 4.202 1.00 87.43 86 A 1 ATOM 693 C CD . ARG A 1 86 ? -8.125 3.410 3.903 1.00 87.86 86 A 1 ATOM 694 N NE . ARG A 1 86 ? -8.628 3.180 2.535 1.00 85.53 86 A 1 ATOM 695 C CZ . ARG A 1 86 ? -9.527 3.887 1.872 1.00 87.14 86 A 1 ATOM 696 N NH1 . ARG A 1 86 ? -10.117 4.923 2.367 1.00 82.36 86 A 1 ATOM 697 N NH2 . ARG A 1 86 ? -9.862 3.560 0.665 1.00 81.11 86 A 1 ATOM 698 N N . ARG A 1 87 ? -2.737 3.853 2.520 1.00 88.99 87 A 1 ATOM 699 C CA . ARG A 1 87 ? -1.674 4.179 1.562 1.00 88.92 87 A 1 ATOM 700 C C . ARG A 1 87 ? -0.440 3.296 1.761 1.00 87.92 87 A 1 ATOM 701 O O . ARG A 1 87 ? 0.088 2.785 0.782 1.00 86.63 87 A 1 ATOM 702 C CB . ARG A 1 87 ? -1.318 5.666 1.660 1.00 89.46 87 A 1 ATOM 703 C CG . ARG A 1 87 ? -0.338 6.060 0.539 1.00 87.09 87 A 1 ATOM 704 C CD . ARG A 1 87 ? 0.220 7.466 0.752 1.00 87.14 87 A 1 ATOM 705 N NE . ARG A 1 87 ? -0.800 8.512 0.575 1.00 81.94 87 A 1 ATOM 706 C CZ . ARG A 1 87 ? -0.664 9.775 0.929 1.00 81.69 87 A 1 ATOM 707 N NH1 . ARG A 1 87 ? 0.374 10.215 1.563 1.00 74.13 87 A 1 ATOM 708 N NH2 . ARG A 1 87 ? -1.576 10.641 0.634 1.00 73.62 87 A 1 ATOM 709 N N . ALA A 1 88 ? -0.005 3.078 2.994 1.00 85.14 88 A 1 ATOM 710 C CA . ALA A 1 88 ? 1.126 2.203 3.292 1.00 81.85 88 A 1 ATOM 711 C C . ALA A 1 88 ? 0.884 0.770 2.793 1.00 82.55 88 A 1 ATOM 712 O O . ALA A 1 88 ? 1.756 0.193 2.154 1.00 81.37 88 A 1 ATOM 713 C CB . ALA A 1 88 ? 1.404 2.245 4.800 1.00 79.30 88 A 1 ATOM 714 N N . ALA A 1 89 ? -0.328 0.229 2.973 1.00 85.90 89 A 1 ATOM 715 C CA . ALA A 1 89 ? -0.702 -1.089 2.458 1.00 85.23 89 A 1 ATOM 716 C C . ALA A 1 89 ? -0.663 -1.154 0.919 1.00 86.77 89 A 1 ATOM 717 O O . ALA A 1 89 ? -0.198 -2.142 0.347 1.00 86.46 89 A 1 ATOM 718 C CB . ALA A 1 89 ? -2.095 -1.442 3.001 1.00 83.91 89 A 1 ATOM 719 N N . VAL A 1 90 ? -1.109 -0.095 0.232 1.00 90.11 90 A 1 ATOM 720 C CA . VAL A 1 90 ? -1.035 0.019 -1.235 1.00 91.41 90 A 1 ATOM 721 C C . VAL A 1 90 ? 0.418 0.044 -1.711 1.00 91.62 90 A 1 ATOM 722 O O . VAL A 1 90 ? 0.778 -0.703 -2.618 1.00 91.30 90 A 1 ATOM 723 C CB . VAL A 1 90 ? -1.813 1.261 -1.720 1.00 92.46 90 A 1 ATOM 724 C CG1 . VAL A 1 90 ? -1.560 1.596 -3.194 1.00 91.46 90 A 1 ATOM 725 C CG2 . VAL A 1 90 ? -3.325 1.044 -1.572 1.00 90.59 90 A 1 ATOM 726 N N . VAL A 1 91 ? 1.270 0.863 -1.085 1.00 90.86 91 A 1 ATOM 727 C CA . VAL A 1 91 ? 2.695 0.988 -1.419 1.00 90.46 91 A 1 ATOM 728 C C . VAL A 1 91 ? 3.419 -0.335 -1.206 1.00 90.52 91 A 1 ATOM 729 O O . VAL A 1 91 ? 4.134 -0.794 -2.098 1.00 89.81 91 A 1 ATOM 730 C CB . VAL A 1 91 ? 3.350 2.112 -0.589 1.00 89.91 91 A 1 ATOM 731 C CG1 . VAL A 1 91 ? 4.878 2.158 -0.749 1.00 87.38 91 A 1 ATOM 732 C CG2 . VAL A 1 91 ? 2.814 3.483 -1.013 1.00 87.10 91 A 1 ATOM 733 N N . GLU A 1 92 ? 3.201 -0.970 -0.065 1.00 88.21 92 A 1 ATOM 734 C CA . GLU A 1 92 ? 3.795 -2.265 0.256 1.00 86.66 92 A 1 ATOM 735 C C . GLU A 1 92 ? 3.383 -3.302 -0.790 1.00 87.73 92 A 1 ATOM 736 O O . GLU A 1 92 ? 4.251 -3.920 -1.414 1.00 87.33 92 A 1 ATOM 737 C CB . GLU A 1 92 ? 3.404 -2.642 1.696 1.00 84.62 92 A 1 ATOM 738 C CG . GLU A 1 92 ? 4.017 -3.973 2.184 1.00 76.32 92 A 1 ATOM 739 C CD . GLU A 1 92 ? 3.304 -5.213 1.636 1.00 74.95 92 A 1 ATOM 740 O OE1 . GLU A 1 92 ? 3.960 -6.250 1.382 1.00 65.44 92 A 1 ATOM 741 O OE2 . GLU A 1 92 ? 2.075 -5.163 1.415 1.00 66.29 92 A 1 ATOM 742 N N . LYS A 1 93 ? 2.092 -3.451 -1.077 1.00 88.46 93 A 1 ATOM 743 C CA . LYS A 1 93 ? 1.599 -4.451 -2.034 1.00 89.78 93 A 1 ATOM 744 C C . LYS A 1 93 ? 2.088 -4.203 -3.462 1.00 91.10 93 A 1 ATOM 745 O O . LYS A 1 93 ? 2.403 -5.161 -4.167 1.00 90.76 93 A 1 ATOM 746 C CB . LYS A 1 93 ? 0.071 -4.522 -1.952 1.00 89.53 93 A 1 ATOM 747 C CG . LYS A 1 93 ? -0.441 -5.705 -2.783 1.00 87.77 93 A 1 ATOM 748 C CD . LYS A 1 93 ? -1.886 -6.029 -2.417 1.00 86.06 93 A 1 ATOM 749 C CE . LYS A 1 93 ? -2.343 -7.253 -3.215 1.00 83.83 93 A 1 ATOM 750 N NZ . LYS A 1 93 ? -3.696 -7.671 -2.806 1.00 80.04 93 A 1 ATOM 751 N N . TYR A 1 94 ? 2.191 -2.946 -3.887 1.00 92.24 94 A 1 ATOM 752 C CA . TYR A 1 94 ? 2.706 -2.576 -5.204 1.00 93.00 94 A 1 ATOM 753 C C . TYR A 1 94 ? 4.185 -2.950 -5.386 1.00 92.67 94 A 1 ATOM 754 O O . TYR A 1 94 ? 4.586 -3.436 -6.445 1.00 91.61 94 A 1 ATOM 755 C CB . TYR A 1 94 ? 2.485 -1.073 -5.405 1.00 94.03 94 A 1 ATOM 756 C CG . TYR A 1 94 ? 2.923 -0.584 -6.771 1.00 94.48 94 A 1 ATOM 757 C CD1 . TYR A 1 94 ? 4.149 0.099 -6.917 1.00 91.37 94 A 1 ATOM 758 C CD2 . TYR A 1 94 ? 2.116 -0.836 -7.896 1.00 92.21 94 A 1 ATOM 759 C CE1 . TYR A 1 94 ? 4.557 0.539 -8.190 1.00 92.49 94 A 1 ATOM 760 C CE2 . TYR A 1 94 ? 2.523 -0.400 -9.173 1.00 92.96 94 A 1 ATOM 761 C CZ . TYR A 1 94 ? 3.745 0.292 -9.318 1.00 93.85 94 A 1 ATOM 762 O OH . TYR A 1 94 ? 4.136 0.716 -10.549 1.00 92.76 94 A 1 ATOM 763 N N . HIS A 1 95 ? 5.006 -2.762 -4.350 1.00 91.30 95 A 1 ATOM 764 C CA . HIS A 1 95 ? 6.437 -3.090 -4.384 1.00 90.04 95 A 1 ATOM 765 C C . HIS A 1 95 ? 6.750 -4.534 -3.987 1.00 88.94 95 A 1 ATOM 766 O O . HIS A 1 95 ? 7.891 -4.991 -4.156 1.00 86.44 95 A 1 ATOM 767 C CB . HIS A 1 95 ? 7.203 -2.087 -3.517 1.00 89.94 95 A 1 ATOM 768 C CG . HIS A 1 95 ? 7.244 -0.725 -4.161 1.00 89.57 95 A 1 ATOM 769 N ND1 . HIS A 1 95 ? 7.838 -0.428 -5.388 1.00 78.60 95 A 1 ATOM 770 C CD2 . HIS A 1 95 ? 6.684 0.415 -3.662 1.00 79.57 95 A 1 ATOM 771 C CE1 . HIS A 1 95 ? 7.627 0.872 -5.607 1.00 81.81 95 A 1 ATOM 772 N NE2 . HIS A 1 95 ? 6.937 1.420 -4.587 1.00 84.44 95 A 1 ATOM 773 N N . ARG A 1 96 ? 5.766 -5.280 -3.494 1.00 87.12 96 A 1 ATOM 774 C CA . ARG A 1 96 ? 5.922 -6.661 -3.043 1.00 85.82 96 A 1 ATOM 775 C C . ARG A 1 96 ? 6.426 -7.544 -4.179 1.00 86.01 96 A 1 ATOM 776 O O . ARG A 1 96 ? 5.770 -7.757 -5.198 1.00 84.43 96 A 1 ATOM 777 C CB . ARG A 1 96 ? 4.598 -7.171 -2.446 1.00 84.10 96 A 1 ATOM 778 C CG . ARG A 1 96 ? 4.761 -8.531 -1.743 1.00 78.66 96 A 1 ATOM 779 C CD . ARG A 1 96 ? 3.411 -9.043 -1.197 1.00 77.45 96 A 1 ATOM 780 N NE . ARG A 1 96 ? 2.867 -8.208 -0.106 1.00 72.91 96 A 1 ATOM 781 C CZ . ARG A 1 96 ? 1.677 -8.346 0.461 1.00 70.84 96 A 1 ATOM 782 N NH1 . ARG A 1 96 ? 0.840 -9.264 0.106 1.00 67.35 96 A 1 ATOM 783 N NH2 . ARG A 1 96 ? 1.292 -7.556 1.411 1.00 64.84 96 A 1 ATOM 784 N N . LYS A 1 97 ? 7.608 -8.115 -3.974 1.00 84.76 97 A 1 ATOM 785 C CA . LYS A 1 97 ? 8.130 -9.176 -4.832 1.00 81.35 97 A 1 ATOM 786 C C . LYS A 1 97 ? 7.741 -10.508 -4.209 1.00 78.87 97 A 1 ATOM 787 O O . LYS A 1 97 ? 8.139 -10.799 -3.084 1.00 69.01 97 A 1 ATOM 788 C CB . LYS A 1 97 ? 9.637 -9.014 -5.036 1.00 79.87 97 A 1 ATOM 789 C CG . LYS A 1 97 ? 9.929 -7.708 -5.800 1.00 75.55 97 A 1 ATOM 790 C CD . LYS A 1 97 ? 11.423 -7.537 -6.075 1.00 72.37 97 A 1 ATOM 791 C CE . LYS A 1 97 ? 11.626 -6.194 -6.785 1.00 66.78 97 A 1 ATOM 792 N NZ . LYS A 1 97 ? 13.055 -5.928 -7.067 1.00 58.85 97 A 1 ATOM 793 N N . GLY A 1 98 ? 6.946 -11.295 -4.936 1.00 79.54 98 A 1 ATOM 794 C CA . GLY A 1 98 ? 6.518 -12.611 -4.470 1.00 77.71 98 A 1 ATOM 795 C C . GLY A 1 98 ? 7.714 -13.515 -4.143 1.00 79.26 98 A 1 ATOM 796 O O . GLY A 1 98 ? 8.669 -13.600 -4.914 1.00 74.03 98 A 1 ATOM 797 N N . GLY A 1 99 ? 7.639 -14.204 -3.017 1.00 80.28 99 A 1 ATOM 798 C CA . GLY A 1 99 ? 8.662 -15.139 -2.564 1.00 81.26 99 A 1 ATOM 799 C C . GLY A 1 99 ? 8.212 -15.845 -1.286 1.00 83.41 99 A 1 ATOM 800 O O . GLY A 1 99 ? 7.579 -15.244 -0.430 1.00 80.04 99 A 1 ATOM 801 N N . LEU A 1 100 ? 8.540 -17.127 -1.180 1.00 79.66 100 A 1 ATOM 802 C CA . LEU A 1 100 ? 8.143 -17.986 -0.054 1.00 79.50 100 A 1 ATOM 803 C C . LEU A 1 100 ? 9.331 -18.334 0.853 1.00 82.51 100 A 1 ATOM 804 O O . LEU A 1 100 ? 9.223 -19.204 1.707 1.00 79.95 100 A 1 ATOM 805 C CB . LEU A 1 100 ? 7.479 -19.254 -0.610 1.00 75.47 100 A 1 ATOM 806 C CG . LEU A 1 100 ? 6.181 -18.987 -1.399 1.00 69.99 100 A 1 ATOM 807 C CD1 . LEU A 1 100 ? 5.791 -20.251 -2.156 1.00 65.09 100 A 1 ATOM 808 C CD2 . LEU A 1 100 ? 5.029 -18.576 -0.478 1.00 64.04 100 A 1 ATOM 809 N N . GLN A 1 101 ? 10.488 -17.698 0.606 1.00 86.08 101 A 1 ATOM 810 C CA . GLN A 1 101 ? 11.689 -17.892 1.411 1.00 86.73 101 A 1 ATOM 811 C C . GLN A 1 101 ? 11.554 -17.134 2.735 1.00 88.52 101 A 1 ATOM 812 O O . GLN A 1 101 ? 10.932 -16.079 2.759 1.00 88.05 101 A 1 ATOM 813 C CB . GLN A 1 101 ? 12.917 -17.418 0.625 1.00 84.78 101 A 1 ATOM 814 C CG . GLN A 1 101 ? 13.151 -18.257 -0.645 1.00 77.73 101 A 1 ATOM 815 C CD . GLN A 1 101 ? 14.366 -17.808 -1.458 1.00 72.77 101 A 1 ATOM 816 O OE1 . GLN A 1 101 ? 14.961 -16.765 -1.267 1.00 64.38 101 A 1 ATOM 817 N NE2 . GLN A 1 101 ? 14.784 -18.582 -2.434 1.00 60.17 101 A 1 ATOM 818 N N . ALA A 1 102 ? 12.188 -17.637 3.793 1.00 87.84 102 A 1 ATOM 819 C CA . ALA A 1 102 ? 12.139 -17.037 5.127 1.00 88.67 102 A 1 ATOM 820 C C . ALA A 1 102 ? 12.465 -15.534 5.110 1.00 90.23 102 A 1 ATOM 821 O O . ALA A 1 102 ? 11.640 -14.731 5.541 1.00 89.05 102 A 1 ATOM 822 C CB . ALA A 1 102 ? 13.097 -17.824 6.031 1.00 87.28 102 A 1 ATOM 823 N N . TRP A 1 103 ? 13.562 -15.138 4.442 1.00 91.13 103 A 1 ATOM 824 C CA . TRP A 1 103 ? 13.958 -13.723 4.345 1.00 90.72 103 A 1 ATOM 825 C C . TRP A 1 103 ? 12.903 -12.811 3.697 1.00 91.20 103 A 1 ATOM 826 O O . TRP A 1 103 ? 12.874 -11.613 3.954 1.00 89.88 103 A 1 ATOM 827 C CB . TRP A 1 103 ? 15.263 -13.622 3.552 1.00 89.74 103 A 1 ATOM 828 C CG . TRP A 1 103 ? 15.161 -13.920 2.078 1.00 88.04 103 A 1 ATOM 829 C CD1 . TRP A 1 103 ? 15.444 -15.104 1.491 1.00 83.57 103 A 1 ATOM 830 C CD2 . TRP A 1 103 ? 14.720 -13.042 0.992 1.00 85.32 103 A 1 ATOM 831 N NE1 . TRP A 1 103 ? 15.199 -15.027 0.131 1.00 81.86 103 A 1 ATOM 832 C CE2 . TRP A 1 103 ? 14.738 -13.776 -0.232 1.00 84.83 103 A 1 ATOM 833 C CE3 . TRP A 1 103 ? 14.287 -11.701 0.916 1.00 80.63 103 A 1 ATOM 834 C CZ2 . TRP A 1 103 ? 14.338 -13.217 -1.458 1.00 80.54 103 A 1 ATOM 835 C CZ3 . TRP A 1 103 ? 13.880 -11.122 -0.310 1.00 78.24 103 A 1 ATOM 836 C CH2 . TRP A 1 103 ? 13.902 -11.881 -1.491 1.00 77.35 103 A 1 ATOM 837 N N . ASN A 1 104 ? 12.068 -13.352 2.811 1.00 90.44 104 A 1 ATOM 838 C CA . ASN A 1 104 ? 11.008 -12.571 2.178 1.00 89.98 104 A 1 ATOM 839 C C . ASN A 1 104 ? 9.807 -12.396 3.111 1.00 90.74 104 A 1 ATOM 840 O O . ASN A 1 104 ? 9.124 -11.382 3.022 1.00 89.61 104 A 1 ATOM 841 C CB . ASN A 1 104 ? 10.616 -13.231 0.849 1.00 88.18 104 A 1 ATOM 842 C CG . ASN A 1 104 ? 9.717 -12.324 0.028 1.00 81.48 104 A 1 ATOM 843 O OD1 . ASN A 1 104 ? 10.153 -11.342 -0.543 1.00 72.90 104 A 1 ATOM 844 N ND2 . ASN A 1 104 ? 8.449 -12.635 -0.085 1.00 71.48 104 A 1 ATOM 845 N N . ILE A 1 105 ? 9.565 -13.362 3.984 1.00 89.73 105 A 1 ATOM 846 C CA . ILE A 1 105 ? 8.558 -13.263 5.044 1.00 90.14 105 A 1 ATOM 847 C C . ILE A 1 105 ? 9.027 -12.248 6.094 1.00 90.38 105 A 1 ATOM 848 O O . ILE A 1 105 ? 8.252 -11.363 6.453 1.00 89.48 105 A 1 ATOM 849 C CB . ILE A 1 105 ? 8.266 -14.654 5.656 1.00 90.20 105 A 1 ATOM 850 C CG1 . ILE A 1 105 ? 7.806 -15.672 4.581 1.00 88.92 105 A 1 ATOM 851 C CG2 . ILE A 1 105 ? 7.188 -14.530 6.754 1.00 88.61 105 A 1 ATOM 852 C CD1 . ILE A 1 105 ? 7.759 -17.125 5.084 1.00 82.99 105 A 1 ATOM 853 N N . ASP A 1 106 ? 10.313 -12.299 6.485 1.00 91.33 106 A 1 ATOM 854 C CA . ASP A 1 106 ? 10.924 -11.304 7.383 1.00 90.75 106 A 1 ATOM 855 C C . ASP A 1 106 ? 10.775 -9.891 6.814 1.00 90.26 106 A 1 ATOM 856 O O . ASP A 1 106 ? 10.332 -8.964 7.495 1.00 88.31 106 A 1 ATOM 857 C CB . ASP A 1 106 ? 12.428 -11.586 7.576 1.00 89.90 106 A 1 ATOM 858 C CG . ASP A 1 106 ? 12.742 -12.931 8.231 1.00 85.54 106 A 1 ATOM 859 O OD1 . ASP A 1 106 ? 11.951 -13.368 9.085 1.00 76.18 106 A 1 ATOM 860 O OD2 . ASP A 1 106 ? 13.768 -13.532 7.834 1.00 76.63 106 A 1 ATOM 861 N N . LYS A 1 107 ? 11.091 -9.738 5.509 1.00 90.03 107 A 1 ATOM 862 C CA . LYS A 1 107 ? 10.952 -8.461 4.817 1.00 88.69 107 A 1 ATOM 863 C C . LYS A 1 107 ? 9.503 -7.976 4.781 1.00 88.55 107 A 1 ATOM 864 O O . LYS A 1 107 ? 9.268 -6.797 5.007 1.00 87.06 107 A 1 ATOM 865 C CB . LYS A 1 107 ? 11.551 -8.575 3.411 1.00 87.68 107 A 1 ATOM 866 C CG . LYS A 1 107 ? 11.541 -7.186 2.777 1.00 81.80 107 A 1 ATOM 867 C CD . LYS A 1 107 ? 12.065 -7.190 1.350 1.00 78.55 107 A 1 ATOM 868 C CE . LYS A 1 107 ? 11.829 -5.754 0.901 1.00 70.46 107 A 1 ATOM 869 N NZ . LYS A 1 107 ? 12.057 -5.576 -0.533 1.00 64.04 107 A 1 ATOM 870 N N . LEU A 1 108 ? 8.547 -8.865 4.506 1.00 87.32 108 A 1 ATOM 871 C CA . LEU A 1 108 ? 7.123 -8.519 4.511 1.00 86.53 108 A 1 ATOM 872 C C . LEU A 1 108 ? 6.679 -8.007 5.889 1.00 86.74 108 A 1 ATOM 873 O O . LEU A 1 108 ? 5.956 -7.017 5.966 1.00 85.61 108 A 1 ATOM 874 C CB . LEU A 1 108 ? 6.318 -9.756 4.058 1.00 85.73 108 A 1 ATOM 875 C CG . LEU A 1 108 ? 4.790 -9.595 4.119 1.00 83.10 108 A 1 ATOM 876 C CD1 . LEU A 1 108 ? 4.302 -8.465 3.219 1.00 77.23 108 A 1 ATOM 877 C CD2 . LEU A 1 108 ? 4.116 -10.886 3.639 1.00 77.10 108 A 1 ATOM 878 N N . GLY A 1 109 ? 7.142 -8.653 6.967 1.00 87.02 109 A 1 ATOM 879 C CA . GLY A 1 109 ? 6.898 -8.167 8.323 1.00 85.80 109 A 1 ATOM 880 C C . GLY A 1 109 ? 7.503 -6.782 8.564 1.00 85.16 109 A 1 ATOM 881 O O . GLY A 1 109 ? 6.809 -5.892 9.058 1.00 83.09 109 A 1 ATOM 882 N N . ALA A 1 110 ? 8.754 -6.568 8.126 1.00 86.49 110 A 1 ATOM 883 C CA . ALA A 1 110 ? 9.433 -5.280 8.242 1.00 84.22 110 A 1 ATOM 884 C C . ALA A 1 110 ? 8.738 -4.170 7.431 1.00 82.53 110 A 1 ATOM 885 O O . ALA A 1 110 ? 8.563 -3.063 7.938 1.00 79.44 110 A 1 ATOM 886 C CB . ALA A 1 110 ? 10.893 -5.465 7.819 1.00 83.85 110 A 1 ATOM 887 N N . ASP A 1 111 ? 8.294 -4.468 6.207 1.00 83.29 111 A 1 ATOM 888 C CA . ASP A 1 111 ? 7.565 -3.523 5.347 1.00 80.15 111 A 1 ATOM 889 C C . ASP A 1 111 ? 6.200 -3.135 5.962 1.00 79.83 111 A 1 ATOM 890 O O . ASP A 1 111 ? 5.731 -2.011 5.780 1.00 77.47 111 A 1 ATOM 891 C CB . ASP A 1 111 ? 7.402 -4.121 3.928 1.00 78.78 111 A 1 ATOM 892 C CG . ASP A 1 111 ? 8.689 -4.220 3.070 1.00 74.86 111 A 1 ATOM 893 O OD1 . ASP A 1 111 ? 9.694 -3.533 3.353 1.00 71.34 111 A 1 ATOM 894 O OD2 . ASP A 1 111 ? 8.686 -4.959 2.044 1.00 69.88 111 A 1 ATOM 895 N N . LEU A 1 112 ? 5.590 -4.037 6.738 1.00 78.98 112 A 1 ATOM 896 C CA . LEU A 1 112 ? 4.384 -3.758 7.533 1.00 77.37 112 A 1 ATOM 897 C C . LEU A 1 112 ? 4.678 -3.017 8.855 1.00 76.87 112 A 1 ATOM 898 O O . LEU A 1 112 ? 3.745 -2.631 9.562 1.00 74.26 112 A 1 ATOM 899 C CB . LEU A 1 112 ? 3.637 -5.078 7.797 1.00 77.42 112 A 1 ATOM 900 C CG . LEU A 1 112 ? 3.000 -5.729 6.552 1.00 74.84 112 A 1 ATOM 901 C CD1 . LEU A 1 112 ? 2.507 -7.135 6.924 1.00 71.62 112 A 1 ATOM 902 C CD2 . LEU A 1 112 ? 1.805 -4.932 6.028 1.00 70.98 112 A 1 ATOM 903 N N . GLY A 1 113 ? 5.955 -2.819 9.195 1.00 79.87 113 A 1 ATOM 904 C CA . GLY A 1 113 ? 6.385 -2.135 10.415 1.00 77.07 113 A 1 ATOM 905 C C . GLY A 1 113 ? 6.541 -3.041 11.641 1.00 78.19 113 A 1 ATOM 906 O O . GLY A 1 113 ? 6.599 -2.535 12.760 1.00 76.07 113 A 1 ATOM 907 N N . PHE A 1 114 ? 6.620 -4.365 11.455 1.00 80.37 114 A 1 ATOM 908 C CA . PHE A 1 114 ? 6.834 -5.337 12.525 1.00 81.60 114 A 1 ATOM 909 C C . PHE A 1 114 ? 8.259 -5.894 12.488 1.00 84.49 114 A 1 ATOM 910 O O . PHE A 1 114 ? 8.806 -6.172 11.424 1.00 84.25 114 A 1 ATOM 911 C CB . PHE A 1 114 ? 5.801 -6.462 12.432 1.00 80.57 114 A 1 ATOM 912 C CG . PHE A 1 114 ? 4.360 -5.998 12.538 1.00 79.60 114 A 1 ATOM 913 C CD1 . PHE A 1 114 ? 3.818 -5.662 13.793 1.00 76.85 114 A 1 ATOM 914 C CD2 . PHE A 1 114 ? 3.565 -5.878 11.382 1.00 76.52 114 A 1 ATOM 915 C CE1 . PHE A 1 114 ? 2.486 -5.211 13.890 1.00 74.11 114 A 1 ATOM 916 C CE2 . PHE A 1 114 ? 2.234 -5.427 11.481 1.00 74.47 114 A 1 ATOM 917 C CZ . PHE A 1 114 ? 1.693 -5.094 12.737 1.00 74.94 114 A 1 ATOM 918 N N . GLU A 1 115 ? 8.845 -6.121 13.667 1.00 86.30 115 A 1 ATOM 919 C CA . GLU A 1 115 ? 10.116 -6.831 13.798 1.00 87.59 115 A 1 ATOM 920 C C . GLU A 1 115 ? 9.827 -8.322 13.984 1.00 89.09 115 A 1 ATOM 921 O O . GLU A 1 115 ? 9.377 -8.750 15.048 1.00 87.93 115 A 1 ATOM 922 C CB . GLU A 1 115 ? 10.943 -6.226 14.943 1.00 86.14 115 A 1 ATOM 923 C CG . GLU A 1 115 ? 12.374 -6.794 14.958 1.00 76.68 115 A 1 ATOM 924 C CD . GLU A 1 115 ? 13.253 -6.231 16.097 1.00 74.48 115 A 1 ATOM 925 O OE1 . GLU A 1 115 ? 14.350 -6.805 16.306 1.00 65.32 115 A 1 ATOM 926 O OE2 . GLU A 1 115 ? 12.844 -5.246 16.753 1.00 66.74 115 A 1 ATOM 927 N N . ILE A 1 116 ? 10.048 -9.109 12.926 1.00 89.96 116 A 1 ATOM 928 C CA . ILE A 1 116 ? 9.829 -10.556 12.937 1.00 90.64 116 A 1 ATOM 929 C C . ILE A 1 116 ? 11.098 -11.313 12.554 1.00 91.36 116 A 1 ATOM 930 O O . ILE A 1 116 ? 11.919 -10.819 11.788 1.00 90.27 116 A 1 ATOM 931 C CB . ILE A 1 116 ? 8.604 -10.983 12.092 1.00 89.55 116 A 1 ATOM 932 C CG1 . ILE A 1 116 ? 8.821 -10.810 10.575 1.00 82.14 116 A 1 ATOM 933 C CG2 . ILE A 1 116 ? 7.337 -10.236 12.549 1.00 81.51 116 A 1 ATOM 934 C CD1 . ILE A 1 116 ? 7.718 -11.467 9.728 1.00 79.33 116 A 1 ATOM 935 N N . GLU A 1 117 ? 11.232 -12.526 13.058 1.00 92.70 117 A 1 ATOM 936 C CA . GLU A 1 117 ? 12.294 -13.470 12.711 1.00 92.67 117 A 1 ATOM 937 C C . GLU A 1 117 ? 11.665 -14.825 12.393 1.00 92.85 117 A 1 ATOM 938 O O . GLU A 1 117 ? 10.928 -15.391 13.202 1.00 90.99 117 A 1 ATOM 939 C CB . GLU A 1 117 ? 13.318 -13.535 13.860 1.00 91.49 117 A 1 ATOM 940 C CG . GLU A 1 117 ? 14.521 -14.442 13.550 1.00 82.55 117 A 1 ATOM 941 C CD . GLU A 1 117 ? 15.601 -14.436 14.656 1.00 80.80 117 A 1 ATOM 942 O OE1 . GLU A 1 117 ? 16.578 -15.204 14.511 1.00 69.98 117 A 1 ATOM 943 O OE2 . GLU A 1 117 ? 15.506 -13.643 15.630 1.00 71.66 117 A 1 ATOM 944 N N . VAL A 1 118 ? 11.936 -15.357 11.192 1.00 92.45 118 A 1 ATOM 945 C CA . VAL A 1 118 ? 11.363 -16.626 10.729 1.00 92.00 118 A 1 ATOM 946 C C . VAL A 1 118 ? 12.348 -17.763 10.954 1.00 91.95 118 A 1 ATOM 947 O O . VAL A 1 118 ? 13.412 -17.828 10.337 1.00 90.51 118 A 1 ATOM 948 C CB . VAL A 1 118 ? 10.902 -16.548 9.264 1.00 90.91 118 A 1 ATOM 949 C CG1 . VAL A 1 118 ? 10.301 -17.878 8.794 1.00 86.48 118 A 1 ATOM 950 C CG2 . VAL A 1 118 ? 9.820 -15.471 9.089 1.00 86.59 118 A 1 ATOM 951 N N . GLU A 1 119 ? 11.962 -18.718 11.787 1.00 91.35 119 A 1 ATOM 952 C CA . GLU A 1 119 ? 12.714 -19.941 12.052 1.00 90.74 119 A 1 ATOM 953 C C . GLU A 1 119 ? 12.162 -21.111 11.225 1.00 90.53 119 A 1 ATOM 954 O O . GLU A 1 119 ? 11.016 -21.554 11.378 1.00 88.18 119 A 1 ATOM 955 C CB . GLU A 1 119 ? 12.725 -20.248 13.562 1.00 89.11 119 A 1 ATOM 956 C CG . GLU A 1 119 ? 13.705 -21.382 13.915 1.00 82.97 119 A 1 ATOM 957 C CD . GLU A 1 119 ? 13.582 -21.924 15.355 1.00 82.65 119 A 1 ATOM 958 O OE1 . GLU A 1 119 ? 14.425 -22.783 15.711 1.00 72.95 119 A 1 ATOM 959 O OE2 . GLU A 1 119 ? 12.588 -21.619 16.047 1.00 75.31 119 A 1 ATOM 960 N N . GLU A 1 120 ? 13.011 -21.668 10.355 1.00 89.92 120 A 1 ATOM 961 C CA . GLU A 1 120 ? 12.716 -22.893 9.612 1.00 88.88 120 A 1 ATOM 962 C C . GLU A 1 120 ? 13.139 -24.133 10.408 1.00 89.22 120 A 1 ATOM 963 O O . GLU A 1 120 ? 14.325 -24.390 10.644 1.00 86.95 120 A 1 ATOM 964 C CB . GLU A 1 120 ? 13.389 -22.899 8.238 1.00 86.66 120 A 1 ATOM 965 C CG . GLU A 1 120 ? 12.872 -21.807 7.290 1.00 79.82 120 A 1 ATOM 966 C CD . GLU A 1 120 ? 13.362 -21.991 5.846 1.00 79.63 120 A 1 ATOM 967 O OE1 . GLU A 1 120 ? 12.694 -21.452 4.930 1.00 71.46 120 A 1 ATOM 968 O OE2 . GLU A 1 120 ? 14.369 -22.707 5.625 1.00 72.18 120 A 1 ATOM 969 N N . ILE A 1 121 ? 12.177 -24.974 10.756 1.00 87.82 121 A 1 ATOM 970 C CA . ILE A 1 121 ? 12.426 -26.216 11.483 1.00 87.08 121 A 1 ATOM 971 C C . ILE A 1 121 ? 12.602 -27.366 10.497 1.00 87.28 121 A 1 ATOM 972 O O . ILE A 1 121 ? 11.686 -27.763 9.773 1.00 84.41 121 A 1 ATOM 973 C CB . ILE A 1 121 ? 11.323 -26.486 12.522 1.00 85.71 121 A 1 ATOM 974 C CG1 . ILE A 1 121 ? 11.242 -25.316 13.530 1.00 82.00 121 A 1 ATOM 975 C CG2 . ILE A 1 121 ? 11.613 -27.815 13.247 1.00 80.02 121 A 1 ATOM 976 C CD1 . ILE A 1 121 ? 10.074 -25.428 14.505 1.00 74.08 121 A 1 ATOM 977 N N . PHE A 1 122 ? 13.795 -27.949 10.501 1.00 86.03 122 A 1 ATOM 978 C CA . PHE A 1 122 ? 14.099 -29.103 9.663 1.00 84.87 122 A 1 ATOM 979 C C . PHE A 1 122 ? 14.024 -30.418 10.452 1.00 85.64 122 A 1 ATOM 980 O O . PHE A 1 122 ? 14.451 -30.473 11.607 1.00 83.75 122 A 1 ATOM 981 C CB . PHE A 1 122 ? 15.463 -28.921 8.999 1.00 83.87 122 A 1 ATOM 982 C CG . PHE A 1 122 ? 15.515 -27.744 8.051 1.00 82.63 122 A 1 ATOM 983 C CD1 . PHE A 1 122 ? 14.970 -27.846 6.757 1.00 78.71 122 A 1 ATOM 984 C CD2 . PHE A 1 122 ? 16.075 -26.526 8.479 1.00 78.29 122 A 1 ATOM 985 C CE1 . PHE A 1 122 ? 14.986 -26.737 5.895 1.00 76.58 122 A 1 ATOM 986 C CE2 . PHE A 1 122 ? 16.090 -25.416 7.618 1.00 76.93 122 A 1 ATOM 987 C CZ . PHE A 1 122 ? 15.544 -25.522 6.325 1.00 77.57 122 A 1 ATOM 988 N N . PRO A 1 123 ? 13.557 -31.515 9.817 1.00 83.44 123 A 1 ATOM 989 C CA . PRO A 1 123 ? 13.508 -32.814 10.474 1.00 82.58 123 A 1 ATOM 990 C C . PRO A 1 123 ? 14.918 -33.302 10.836 1.00 84.44 123 A 1 ATOM 991 O O . PRO A 1 123 ? 15.902 -33.017 10.141 1.00 82.43 123 A 1 ATOM 992 C CB . PRO A 1 123 ? 12.796 -33.751 9.493 1.00 80.51 123 A 1 ATOM 993 C CG . PRO A 1 123 ? 13.084 -33.125 8.130 1.00 77.41 123 A 1 ATOM 994 C CD . PRO A 1 123 ? 13.103 -31.630 8.436 1.00 80.38 123 A 1 ATOM 995 N N . HIS A 1 124 ? 15.017 -34.071 11.913 1.00 80.02 124 A 1 ATOM 996 C CA . HIS A 1 124 ? 16.262 -34.712 12.316 1.00 80.66 124 A 1 ATOM 997 C C . HIS A 1 124 ? 16.639 -35.821 11.325 1.00 82.22 124 A 1 ATOM 998 O O . HIS A 1 124 ? 15.793 -36.581 10.859 1.00 79.19 124 A 1 ATOM 999 C CB . HIS A 1 124 ? 16.138 -35.229 13.754 1.00 77.90 124 A 1 ATOM 1000 C CG . HIS A 1 124 ? 17.474 -35.617 14.341 1.00 75.72 124 A 1 ATOM 1001 N ND1 . HIS A 1 124 ? 18.308 -34.802 15.070 1.00 65.52 124 A 1 ATOM 1002 C CD2 . HIS A 1 124 ? 18.098 -36.831 14.234 1.00 66.40 124 A 1 ATOM 1003 C CE1 . HIS A 1 124 ? 19.405 -35.512 15.400 1.00 65.13 124 A 1 ATOM 1004 N NE2 . HIS A 1 124 ? 19.325 -36.749 14.903 1.00 67.76 124 A 1 ATOM 1005 N N . HIS A 1 125 ? 17.940 -35.917 10.994 1.00 80.84 125 A 1 ATOM 1006 C CA . HIS A 1 125 ? 18.488 -36.990 10.165 1.00 81.87 125 A 1 ATOM 1007 C C . HIS A 1 125 ? 19.884 -37.388 10.658 1.00 83.47 125 A 1 ATOM 1008 O O . HIS A 1 125 ? 20.519 -36.660 11.415 1.00 80.66 125 A 1 ATOM 1009 C CB . HIS A 1 125 ? 18.486 -36.562 8.684 1.00 79.16 125 A 1 ATOM 1010 C CG . HIS A 1 125 ? 19.357 -35.363 8.357 1.00 76.60 125 A 1 ATOM 1011 N ND1 . HIS A 1 125 ? 20.648 -35.133 8.759 1.00 69.46 125 A 1 ATOM 1012 C CD2 . HIS A 1 125 ? 19.009 -34.315 7.546 1.00 67.66 125 A 1 ATOM 1013 C CE1 . HIS A 1 125 ? 21.078 -33.990 8.211 1.00 67.70 125 A 1 ATOM 1014 N NE2 . HIS A 1 125 ? 20.112 -33.451 7.454 1.00 69.54 125 A 1 ATOM 1015 N N . CYS A 1 126 ? 20.400 -38.531 10.194 1.00 82.31 126 A 1 ATOM 1016 C CA . CYS A 1 126 ? 21.659 -39.120 10.677 1.00 82.35 126 A 1 ATOM 1017 C C . CYS A 1 126 ? 22.912 -38.239 10.532 1.00 84.27 126 A 1 ATOM 1018 O O . CYS A 1 126 ? 23.911 -38.509 11.190 1.00 81.63 126 A 1 ATOM 1019 C CB . CYS A 1 126 ? 21.868 -40.460 9.952 1.00 79.24 126 A 1 ATOM 1020 S SG . CYS A 1 126 ? 21.908 -40.223 8.139 1.00 72.83 126 A 1 ATOM 1021 N N . LEU A 1 127 ? 22.880 -37.203 9.696 1.00 81.98 127 A 1 ATOM 1022 C CA . LEU A 1 127 ? 23.992 -36.255 9.532 1.00 82.88 127 A 1 ATOM 1023 C C . LEU A 1 127 ? 23.918 -35.054 10.493 1.00 84.43 127 A 1 ATOM 1024 O O . LEU A 1 127 ? 24.834 -34.238 10.511 1.00 82.84 127 A 1 ATOM 1025 C CB . LEU A 1 127 ? 24.047 -35.771 8.071 1.00 83.22 127 A 1 ATOM 1026 C CG . LEU A 1 127 ? 24.231 -36.871 7.009 1.00 79.73 127 A 1 ATOM 1027 C CD1 . LEU A 1 127 ? 24.143 -36.248 5.614 1.00 75.84 127 A 1 ATOM 1028 C CD2 . LEU A 1 127 ? 25.572 -37.585 7.148 1.00 75.24 127 A 1 ATOM 1029 N N . ARG A 1 128 ? 22.839 -34.914 11.251 1.00 82.64 128 A 1 ATOM 1030 C CA . ARG A 1 128 ? 22.717 -33.855 12.263 1.00 82.38 128 A 1 ATOM 1031 C C . ARG A 1 128 ? 23.331 -34.304 13.586 1.00 84.46 128 A 1 ATOM 1032 O O . ARG A 1 128 ? 23.348 -35.491 13.905 1.00 81.68 128 A 1 ATOM 1033 C CB . ARG A 1 128 ? 21.258 -33.404 12.432 1.00 80.05 128 A 1 ATOM 1034 C CG . ARG A 1 128 ? 20.753 -32.609 11.212 1.00 77.34 128 A 1 ATOM 1035 C CD . ARG A 1 128 ? 19.358 -32.045 11.484 1.00 73.32 128 A 1 ATOM 1036 N NE . ARG A 1 128 ? 18.822 -31.285 10.329 1.00 71.53 128 A 1 ATOM 1037 C CZ . ARG A 1 128 ? 18.687 -29.973 10.219 1.00 66.66 128 A 1 ATOM 1038 N NH1 . ARG A 1 128 ? 19.072 -29.143 11.144 1.00 62.71 128 A 1 ATOM 1039 N NH2 . ARG A 1 128 ? 18.145 -29.454 9.154 1.00 63.55 128 A 1 ATOM 1040 N N . GLY A 1 129 ? 23.839 -33.341 14.355 1.00 85.47 129 A 1 ATOM 1041 C CA . GLY A 1 129 ? 24.405 -33.611 15.675 1.00 85.13 129 A 1 ATOM 1042 C C . GLY A 1 129 ? 23.368 -34.160 16.658 1.00 86.31 129 A 1 ATOM 1043 O O . GLY A 1 129 ? 22.195 -33.799 16.589 1.00 83.64 129 A 1 ATOM 1044 N N . CYS A 1 130 ? 23.809 -34.979 17.604 1.00 83.80 130 A 1 ATOM 1045 C CA . CYS A 1 130 ? 22.931 -35.569 18.629 1.00 83.02 130 A 1 ATOM 1046 C C . CYS A 1 130 ? 22.237 -34.536 19.537 1.00 84.28 130 A 1 ATOM 1047 O O . CYS A 1 130 ? 21.282 -34.878 20.221 1.00 81.61 130 A 1 ATOM 1048 C CB . CYS A 1 130 ? 23.754 -36.528 19.498 1.00 80.23 130 A 1 ATOM 1049 S SG . CYS A 1 130 ? 24.524 -37.832 18.490 1.00 72.80 130 A 1 ATOM 1050 N N . THR A 1 131 ? 22.721 -33.297 19.555 1.00 85.35 131 A 1 ATOM 1051 C CA . THR A 1 131 ? 22.124 -32.188 20.315 1.00 85.29 131 A 1 ATOM 1052 C C . THR A 1 131 ? 20.978 -31.492 19.582 1.00 86.01 131 A 1 ATOM 1053 O O . THR A 1 131 ? 20.305 -30.658 20.178 1.00 83.90 131 A 1 ATOM 1054 C CB . THR A 1 131 ? 23.193 -31.144 20.657 1.00 85.10 131 A 1 ATOM 1055 O OG1 . THR A 1 131 ? 23.864 -30.746 19.480 1.00 79.43 131 A 1 ATOM 1056 C CG2 . THR A 1 131 ? 24.256 -31.703 21.606 1.00 77.66 131 A 1 ATOM 1057 N N . TYR A 1 132 ? 20.770 -31.800 18.292 1.00 84.00 132 A 1 ATOM 1058 C CA . TYR A 1 132 ? 19.678 -31.203 17.529 1.00 83.92 132 A 1 ATOM 1059 C C . TYR A 1 132 ? 18.330 -31.749 18.026 1.00 85.33 132 A 1 ATOM 1060 O O . TYR A 1 132 ? 18.172 -32.973 18.102 1.00 83.98 132 A 1 ATOM 1061 C CB . TYR A 1 132 ? 19.884 -31.456 16.031 1.00 82.79 132 A 1 ATOM 1062 C CG . TYR A 1 132 ? 18.901 -30.684 15.166 1.00 81.21 132 A 1 ATOM 1063 C CD1 . TYR A 1 132 ? 17.690 -31.278 14.759 1.00 77.01 132 A 1 ATOM 1064 C CD2 . TYR A 1 132 ? 19.177 -29.352 14.803 1.00 76.99 132 A 1 ATOM 1065 C CE1 . TYR A 1 132 ? 16.762 -30.548 13.988 1.00 74.03 132 A 1 ATOM 1066 C CE2 . TYR A 1 132 ? 18.252 -28.616 14.031 1.00 75.20 132 A 1 ATOM 1067 C CZ . TYR A 1 132 ? 17.042 -29.218 13.621 1.00 77.11 132 A 1 ATOM 1068 O OH . TYR A 1 132 ? 16.147 -28.514 12.877 1.00 74.53 132 A 1 ATOM 1069 N N . PRO A 1 133 ? 17.362 -30.889 18.355 1.00 85.80 133 A 1 ATOM 1070 C CA . PRO A 1 133 ? 16.102 -31.320 18.942 1.00 84.80 133 A 1 ATOM 1071 C C . PRO A 1 133 ? 15.278 -32.177 17.967 1.00 86.25 133 A 1 ATOM 1072 O O . PRO A 1 133 ? 15.290 -31.981 16.749 1.00 84.52 133 A 1 ATOM 1073 C CB . PRO A 1 133 ? 15.381 -30.037 19.368 1.00 82.83 133 A 1 ATOM 1074 C CG . PRO A 1 133 ? 15.984 -28.965 18.465 1.00 80.16 133 A 1 ATOM 1075 C CD . PRO A 1 133 ? 17.414 -29.434 18.255 1.00 83.08 133 A 1 ATOM 1076 N N . LEU A 1 134 ? 14.555 -33.141 18.521 1.00 84.15 134 A 1 ATOM 1077 C CA . LEU A 1 134 ? 13.614 -33.980 17.786 1.00 84.35 134 A 1 ATOM 1078 C C . LEU A 1 134 ? 12.251 -33.286 17.753 1.00 85.65 134 A 1 ATOM 1079 O O . LEU A 1 134 ? 11.501 -33.324 18.728 1.00 83.42 134 A 1 ATOM 1080 C CB . LEU A 1 134 ? 13.531 -35.375 18.435 1.00 82.50 134 A 1 ATOM 1081 C CG . LEU A 1 134 ? 14.814 -36.218 18.311 1.00 75.72 134 A 1 ATOM 1082 C CD1 . LEU A 1 134 ? 14.678 -37.492 19.147 1.00 70.61 134 A 1 ATOM 1083 C CD2 . LEU A 1 134 ? 15.091 -36.633 16.866 1.00 71.06 134 A 1 ATOM 1084 N N . TYR A 1 135 ? 11.951 -32.661 16.635 1.00 82.57 135 A 1 ATOM 1085 C CA . TYR A 1 135 ? 10.647 -32.051 16.408 1.00 82.63 135 A 1 ATOM 1086 C C . TYR A 1 135 ? 9.642 -33.079 15.875 1.00 84.29 135 A 1 ATOM 1087 O O . TYR A 1 135 ? 9.992 -33.978 15.105 1.00 82.40 135 A 1 ATOM 1088 C CB . TYR A 1 135 ? 10.797 -30.856 15.467 1.00 81.37 135 A 1 ATOM 1089 C CG . TYR A 1 135 ? 11.610 -29.718 16.047 1.00 81.01 135 A 1 ATOM 1090 C CD1 . TYR A 1 135 ? 11.049 -28.888 17.040 1.00 76.90 135 A 1 ATOM 1091 C CD2 . TYR A 1 135 ? 12.921 -29.477 15.594 1.00 77.43 135 A 1 ATOM 1092 C CE1 . TYR A 1 135 ? 11.788 -27.806 17.561 1.00 74.90 135 A 1 ATOM 1093 C CE2 . TYR A 1 135 ? 13.662 -28.397 16.115 1.00 75.74 135 A 1 ATOM 1094 C CZ . TYR A 1 135 ? 13.091 -27.555 17.092 1.00 77.67 135 A 1 ATOM 1095 O OH . TYR A 1 135 ? 13.797 -26.499 17.575 1.00 75.16 135 A 1 ATOM 1096 N N . GLU A 1 136 ? 8.378 -32.927 16.250 1.00 83.74 136 A 1 ATOM 1097 C CA . GLU A 1 136 ? 7.277 -33.721 15.697 1.00 83.25 136 A 1 ATOM 1098 C C . GLU A 1 136 ? 7.141 -33.509 14.180 1.00 83.00 136 A 1 ATOM 1099 O O . GLU A 1 136 ? 7.490 -32.457 13.646 1.00 80.54 136 A 1 ATOM 1100 C CB . GLU A 1 136 ? 5.950 -33.335 16.370 1.00 81.43 136 A 1 ATOM 1101 C CG . GLU A 1 136 ? 5.841 -33.653 17.872 1.00 74.76 136 A 1 ATOM 1102 C CD . GLU A 1 136 ? 4.546 -33.059 18.462 1.00 73.38 136 A 1 ATOM 1103 O OE1 . GLU A 1 136 ? 4.555 -32.609 19.623 1.00 66.57 136 A 1 ATOM 1104 O OE2 . GLU A 1 136 ? 3.542 -32.919 17.723 1.00 67.85 136 A 1 ATOM 1105 N N . GLU A 1 137 ? 6.553 -34.489 13.471 1.00 83.79 137 A 1 ATOM 1106 C CA . GLU A 1 137 ? 6.398 -34.453 12.006 1.00 82.86 137 A 1 ATOM 1107 C C . GLU A 1 137 ? 5.631 -33.215 11.504 1.00 83.05 137 A 1 ATOM 1108 O O . GLU A 1 137 ? 5.932 -32.692 10.429 1.00 79.65 137 A 1 ATOM 1109 C CB . GLU A 1 137 ? 5.714 -35.755 11.565 1.00 79.90 137 A 1 ATOM 1110 C CG . GLU A 1 137 ? 5.670 -35.912 10.036 1.00 69.82 137 A 1 ATOM 1111 C CD . GLU A 1 137 ? 5.127 -37.272 9.566 1.00 64.54 137 A 1 ATOM 1112 O OE1 . GLU A 1 137 ? 5.199 -37.511 8.335 1.00 58.74 137 A 1 ATOM 1113 O OE2 . GLU A 1 137 ? 4.677 -38.063 10.418 1.00 57.99 137 A 1 ATOM 1114 N N . LYS A 1 138 ? 4.708 -32.687 12.316 1.00 82.69 138 A 1 ATOM 1115 C CA . LYS A 1 138 ? 3.945 -31.466 12.004 1.00 81.46 138 A 1 ATOM 1116 C C . LYS A 1 138 ? 4.848 -30.264 11.690 1.00 83.15 138 A 1 ATOM 1117 O O . LYS A 1 138 ? 4.525 -29.484 10.802 1.00 81.01 138 A 1 ATOM 1118 C CB . LYS A 1 138 ? 2.950 -31.170 13.141 1.00 78.86 138 A 1 ATOM 1119 C CG . LYS A 1 138 ? 3.601 -30.637 14.431 1.00 74.55 138 A 1 ATOM 1120 C CD . LYS A 1 138 ? 2.620 -30.584 15.614 1.00 73.07 138 A 1 ATOM 1121 C CE . LYS A 1 138 ? 3.297 -29.905 16.817 1.00 66.05 138 A 1 ATOM 1122 N NZ . LYS A 1 138 ? 2.690 -30.300 18.113 1.00 60.44 138 A 1 ATOM 1123 N N . TYR A 1 139 ? 6.012 -30.155 12.343 1.00 81.43 139 A 1 ATOM 1124 C CA . TYR A 1 139 ? 6.946 -29.040 12.158 1.00 81.46 139 A 1 ATOM 1125 C C . TYR A 1 139 ? 7.644 -29.037 10.795 1.00 83.06 139 A 1 ATOM 1126 O O . TYR A 1 139 ? 8.193 -28.024 10.389 1.00 80.34 139 A 1 ATOM 1127 C CB . TYR A 1 139 ? 7.962 -29.014 13.300 1.00 80.39 139 A 1 ATOM 1128 C CG . TYR A 1 139 ? 7.375 -28.513 14.606 1.00 79.44 139 A 1 ATOM 1129 C CD1 . TYR A 1 139 ? 7.139 -27.135 14.779 1.00 75.11 139 A 1 ATOM 1130 C CD2 . TYR A 1 139 ? 7.054 -29.410 15.641 1.00 75.20 139 A 1 ATOM 1131 C CE1 . TYR A 1 139 ? 6.587 -26.658 15.980 1.00 72.41 139 A 1 ATOM 1132 C CE2 . TYR A 1 139 ? 6.497 -28.936 16.847 1.00 72.97 139 A 1 ATOM 1133 C CZ . TYR A 1 139 ? 6.263 -27.557 17.016 1.00 75.02 139 A 1 ATOM 1134 O OH . TYR A 1 139 ? 5.716 -27.096 18.174 1.00 73.12 139 A 1 ATOM 1135 N N . ARG A 1 140 ? 7.548 -30.115 10.011 1.00 85.67 140 A 1 ATOM 1136 C CA . ARG A 1 140 ? 7.968 -30.100 8.603 1.00 84.65 140 A 1 ATOM 1137 C C . ARG A 1 140 ? 7.149 -29.111 7.764 1.00 85.51 140 A 1 ATOM 1138 O O . ARG A 1 140 ? 7.625 -28.628 6.731 1.00 82.93 140 A 1 ATOM 1139 C CB . ARG A 1 140 ? 7.865 -31.528 8.062 1.00 83.31 140 A 1 ATOM 1140 C CG . ARG A 1 140 ? 8.414 -31.633 6.638 1.00 74.97 140 A 1 ATOM 1141 C CD . ARG A 1 140 ? 8.386 -33.084 6.176 1.00 72.98 140 A 1 ATOM 1142 N NE . ARG A 1 140 ? 8.885 -33.201 4.792 1.00 65.41 140 A 1 ATOM 1143 C CZ . ARG A 1 140 ? 9.178 -34.327 4.168 1.00 58.25 140 A 1 ATOM 1144 N NH1 . ARG A 1 140 ? 9.041 -35.490 4.741 1.00 54.98 140 A 1 ATOM 1145 N NH2 . ARG A 1 140 ? 9.617 -34.301 2.943 1.00 51.45 140 A 1 ATOM 1146 N N . HIS A 1 141 ? 5.930 -28.861 8.185 1.00 86.48 141 A 1 ATOM 1147 C CA . HIS A 1 141 ? 4.978 -27.987 7.507 1.00 86.43 141 A 1 ATOM 1148 C C . HIS A 1 141 ? 4.707 -26.683 8.272 1.00 87.80 141 A 1 ATOM 1149 O O . HIS A 1 141 ? 3.946 -25.854 7.786 1.00 85.90 141 A 1 ATOM 1150 C CB . HIS A 1 141 ? 3.697 -28.780 7.221 1.00 84.87 141 A 1 ATOM 1151 C CG . HIS A 1 141 ? 3.963 -29.981 6.345 1.00 83.01 141 A 1 ATOM 1152 N ND1 . HIS A 1 141 ? 4.269 -29.951 4.999 1.00 74.70 141 A 1 ATOM 1153 C CD2 . HIS A 1 141 ? 4.027 -31.290 6.745 1.00 75.16 141 A 1 ATOM 1154 C CE1 . HIS A 1 141 ? 4.495 -31.208 4.593 1.00 75.13 141 A 1 ATOM 1155 N NE2 . HIS A 1 141 ? 4.375 -32.062 5.629 1.00 76.98 141 A 1 ATOM 1156 N N . LEU A 1 142 ? 5.346 -26.500 9.426 1.00 88.38 142 A 1 ATOM 1157 C CA . LEU A 1 142 ? 5.239 -25.316 10.264 1.00 88.84 142 A 1 ATOM 1158 C C . LEU A 1 142 ? 6.513 -24.472 10.150 1.00 89.79 142 A 1 ATOM 1159 O O . LEU A 1 142 ? 7.622 -24.999 10.207 1.00 87.77 142 A 1 ATOM 1160 C CB . LEU A 1 142 ? 4.964 -25.745 11.716 1.00 86.67 142 A 1 ATOM 1161 C CG . LEU A 1 142 ? 3.496 -26.167 11.953 1.00 80.88 142 A 1 ATOM 1162 C CD1 . LEU A 1 142 ? 3.361 -27.004 13.221 1.00 74.12 142 A 1 ATOM 1163 C CD2 . LEU A 1 142 ? 2.595 -24.942 12.118 1.00 74.36 142 A 1 ATOM 1164 N N . LEU A 1 143 ? 6.339 -23.169 10.001 1.00 89.92 143 A 1 ATOM 1165 C CA . LEU A 1 143 ? 7.378 -22.167 10.206 1.00 90.22 143 A 1 ATOM 1166 C C . LEU A 1 143 ? 7.072 -21.447 11.514 1.00 91.47 143 A 1 ATOM 1167 O O . LEU A 1 143 ? 5.915 -21.114 11.769 1.00 90.42 143 A 1 ATOM 1168 C CB . LEU A 1 143 ? 7.412 -21.188 9.020 1.00 89.01 143 A 1 ATOM 1169 C CG . LEU A 1 143 ? 7.795 -21.836 7.673 1.00 87.00 143 A 1 ATOM 1170 C CD1 . LEU A 1 143 ? 7.646 -20.820 6.540 1.00 80.80 143 A 1 ATOM 1171 C CD2 . LEU A 1 143 ? 9.232 -22.344 7.664 1.00 80.17 143 A 1 ATOM 1172 N N . ARG A 1 144 ? 8.106 -21.224 12.328 1.00 91.22 144 A 1 ATOM 1173 C CA . ARG A 1 144 ? 7.971 -20.411 13.536 1.00 91.58 144 A 1 ATOM 1174 C C . ARG A 1 144 ? 8.279 -18.966 13.206 1.00 92.27 144 A 1 ATOM 1175 O O . ARG A 1 144 ? 9.274 -18.694 12.544 1.00 91.07 144 A 1 ATOM 1176 C CB . ARG A 1 144 ? 8.884 -20.920 14.643 1.00 90.45 144 A 1 ATOM 1177 C CG . ARG A 1 144 ? 8.277 -22.167 15.273 1.00 85.51 144 A 1 ATOM 1178 C CD . ARG A 1 144 ? 9.167 -22.635 16.415 1.00 85.09 144 A 1 ATOM 1179 N NE . ARG A 1 144 ? 8.524 -23.734 17.124 1.00 79.28 144 A 1 ATOM 1180 C CZ . ARG A 1 144 ? 9.102 -24.558 17.962 1.00 76.60 144 A 1 ATOM 1181 N NH1 . ARG A 1 144 ? 10.375 -24.470 18.252 1.00 73.08 144 A 1 ATOM 1182 N NH2 . ARG A 1 144 ? 8.382 -25.484 18.523 1.00 67.74 144 A 1 ATOM 1183 N N . ILE A 1 145 ? 7.418 -18.075 13.636 1.00 90.75 145 A 1 ATOM 1184 C CA . ILE A 1 145 ? 7.572 -16.641 13.435 1.00 91.40 145 A 1 ATOM 1185 C C . ILE A 1 145 ? 7.670 -16.009 14.814 1.00 91.89 145 A 1 ATOM 1186 O O . ILE A 1 145 ? 6.677 -15.934 15.535 1.00 90.61 145 A 1 ATOM 1187 C CB . ILE A 1 145 ? 6.416 -16.066 12.582 1.00 91.17 145 A 1 ATOM 1188 C CG1 . ILE A 1 145 ? 6.353 -16.802 11.222 1.00 88.64 145 A 1 ATOM 1189 C CG2 . ILE A 1 145 ? 6.627 -14.552 12.387 1.00 88.15 145 A 1 ATOM 1190 C CD1 . ILE A 1 145 ? 5.222 -16.344 10.309 1.00 80.38 145 A 1 ATOM 1191 N N . HIS A 1 146 ? 8.886 -15.595 15.159 1.00 92.02 146 A 1 ATOM 1192 C CA . HIS A 1 146 ? 9.154 -14.845 16.377 1.00 91.70 146 A 1 ATOM 1193 C C . HIS A 1 146 ? 8.830 -13.379 16.117 1.00 91.83 146 A 1 ATOM 1194 O O . HIS A 1 146 ? 9.384 -12.780 15.201 1.00 90.35 146 A 1 ATOM 1195 C CB . HIS A 1 146 ? 10.613 -15.053 16.797 1.00 91.29 146 A 1 ATOM 1196 C CG . HIS A 1 146 ? 10.888 -16.487 17.184 1.00 90.68 146 A 1 ATOM 1197 N ND1 . HIS A 1 146 ? 10.841 -16.987 18.462 1.00 77.91 146 A 1 ATOM 1198 C CD2 . HIS A 1 146 ? 11.176 -17.533 16.352 1.00 80.07 146 A 1 ATOM 1199 C CE1 . HIS A 1 146 ? 11.109 -18.303 18.399 1.00 82.15 146 A 1 ATOM 1200 N NE2 . HIS A 1 146 ? 11.305 -18.689 17.132 1.00 85.14 146 A 1 ATOM 1201 N N . VAL A 1 147 ? 7.924 -12.817 16.885 1.00 89.52 147 A 1 ATOM 1202 C CA . VAL A 1 147 ? 7.477 -11.429 16.739 1.00 88.73 147 A 1 ATOM 1203 C C . VAL A 1 147 ? 7.904 -10.654 17.974 1.00 88.54 147 A 1 ATOM 1204 O O . VAL A 1 147 ? 7.504 -11.002 19.088 1.00 87.19 147 A 1 ATOM 1205 C CB . VAL A 1 147 ? 5.951 -11.335 16.543 1.00 88.54 147 A 1 ATOM 1206 C CG1 . VAL A 1 147 ? 5.539 -9.887 16.236 1.00 83.79 147 A 1 ATOM 1207 C CG2 . VAL A 1 147 ? 5.442 -12.224 15.401 1.00 83.83 147 A 1 ATOM 1208 N N . ARG A 1 148 ? 8.702 -9.599 17.770 1.00 87.27 148 A 1 ATOM 1209 C CA . ARG A 1 148 ? 9.197 -8.741 18.849 1.00 84.26 148 A 1 ATOM 1210 C C . ARG A 1 148 ? 8.391 -7.446 18.940 1.00 81.91 148 A 1 ATOM 1211 O O . ARG A 1 148 ? 7.893 -6.930 17.943 1.00 75.68 148 A 1 ATOM 1212 C CB . ARG A 1 148 ? 10.698 -8.479 18.680 1.00 83.52 148 A 1 ATOM 1213 C CG . ARG A 1 148 ? 11.524 -9.780 18.727 1.00 79.76 148 A 1 ATOM 1214 C CD . ARG A 1 148 ? 13.022 -9.483 18.621 1.00 77.68 148 A 1 ATOM 1215 N NE . ARG A 1 148 ? 13.809 -10.728 18.594 1.00 71.00 148 A 1 ATOM 1216 C CZ . ARG A 1 148 ? 14.895 -10.965 17.883 1.00 62.74 148 A 1 ATOM 1217 N NH1 . ARG A 1 148 ? 15.517 -10.023 17.232 1.00 59.23 148 A 1 ATOM 1218 N NH2 . ARG A 1 148 ? 15.360 -12.179 17.790 1.00 55.46 148 A 1 ATOM 1219 N N . GLY A 1 149 ? 8.282 -6.912 20.140 1.00 77.27 149 A 1 ATOM 1220 C CA . GLY A 1 149 ? 7.693 -5.586 20.371 1.00 74.04 149 A 1 ATOM 1221 C C . GLY A 1 149 ? 6.163 -5.538 20.457 1.00 74.79 149 A 1 ATOM 1222 O O . GLY A 1 149 ? 5.611 -4.465 20.704 1.00 69.63 149 A 1 ATOM 1223 N N . ILE A 1 150 ? 5.462 -6.663 20.295 1.00 66.06 150 A 1 ATOM 1224 C CA . ILE A 1 150 ? 4.020 -6.740 20.564 1.00 68.02 150 A 1 ATOM 1225 C C . ILE A 1 150 ? 3.811 -7.319 21.964 1.00 68.98 150 A 1 ATOM 1226 O O . ILE A 1 150 ? 3.882 -8.527 22.173 1.00 65.07 150 A 1 ATOM 1227 C CB . ILE A 1 150 ? 3.250 -7.525 19.473 1.00 66.50 150 A 1 ATOM 1228 C CG1 . ILE A 1 150 ? 3.492 -6.898 18.078 1.00 62.59 150 A 1 ATOM 1229 C CG2 . ILE A 1 150 ? 1.744 -7.535 19.809 1.00 61.22 150 A 1 ATOM 1230 C CD1 . ILE A 1 150 ? 2.778 -7.619 16.926 1.00 58.88 150 A 1 ATOM 1231 N N . THR A 1 151 ? 3.529 -6.447 22.923 1.00 70.65 151 A 1 ATOM 1232 C CA . THR A 1 151 ? 3.123 -6.859 24.272 1.00 67.44 151 A 1 ATOM 1233 C C . THR A 1 151 ? 1.657 -7.293 24.269 1.00 66.81 151 A 1 ATOM 1234 O O . THR A 1 151 ? 0.821 -6.602 23.685 1.00 61.18 151 A 1 ATOM 1235 C CB . THR A 1 151 ? 3.346 -5.733 25.290 1.00 62.70 151 A 1 ATOM 1236 O OG1 . THR A 1 151 ? 2.675 -4.561 24.881 1.00 56.27 151 A 1 ATOM 1237 C CG2 . THR A 1 151 ? 4.827 -5.383 25.434 1.00 54.55 151 A 1 ATOM 1238 N N . GLN A 1 152 ? 1.335 -8.392 24.941 1.00 63.51 152 A 1 ATOM 1239 C CA . GLN A 1 152 ? -0.038 -8.902 25.091 1.00 64.46 152 A 1 ATOM 1240 C C . GLN A 1 152 ? -0.752 -9.138 23.745 1.00 67.58 152 A 1 ATOM 1241 O O . GLN A 1 152 ? -1.838 -8.622 23.487 1.00 61.57 152 A 1 ATOM 1242 C CB . GLN A 1 152 ? -0.853 -8.000 26.036 1.00 58.62 152 A 1 ATOM 1243 C CG . GLN A 1 152 ? -0.269 -7.892 27.444 1.00 51.33 152 A 1 ATOM 1244 C CD . GLN A 1 152 ? -1.088 -6.958 28.329 1.00 44.58 152 A 1 ATOM 1245 O OE1 . GLN A 1 152 ? -1.495 -5.876 27.940 1.00 42.14 152 A 1 ATOM 1246 N NE2 . GLN A 1 152 ? -1.344 -7.319 29.565 1.00 39.62 152 A 1 ATOM 1247 N N . ALA A 1 153 ? -0.129 -9.933 22.860 1.00 60.61 153 A 1 ATOM 1248 C CA . ALA A 1 153 ? -0.729 -10.301 21.578 1.00 61.00 153 A 1 ATOM 1249 C C . ALA A 1 153 ? -2.016 -11.125 21.747 1.00 63.85 153 A 1 ATOM 1250 O O . ALA A 1 153 ? -2.980 -10.907 21.013 1.00 60.46 153 A 1 ATOM 1251 C CB . ALA A 1 153 ? 0.308 -11.071 20.764 1.00 58.54 153 A 1 ATOM 1252 N N . TYR A 1 154 ? -2.037 -12.027 22.728 1.00 67.25 154 A 1 ATOM 1253 C CA . TYR A 1 154 ? -3.184 -12.861 23.072 1.00 68.45 154 A 1 ATOM 1254 C C . TYR A 1 154 ? -3.689 -12.556 24.481 1.00 70.46 154 A 1 ATOM 1255 O O . TYR A 1 154 ? -2.899 -12.313 25.389 1.00 66.55 154 A 1 ATOM 1256 C CB . TYR A 1 154 ? -2.820 -14.341 22.941 1.00 65.23 154 A 1 ATOM 1257 C CG . TYR A 1 154 ? -2.368 -14.758 21.552 1.00 62.23 154 A 1 ATOM 1258 C CD1 . TYR A 1 154 ? -3.218 -14.577 20.445 1.00 58.22 154 A 1 ATOM 1259 C CD2 . TYR A 1 154 ? -1.090 -15.323 21.367 1.00 54.96 154 A 1 ATOM 1260 C CE1 . TYR A 1 154 ? -2.798 -14.960 19.153 1.00 51.81 154 A 1 ATOM 1261 C CE2 . TYR A 1 154 ? -0.667 -15.712 20.075 1.00 53.58 154 A 1 ATOM 1262 C CZ . TYR A 1 154 ? -1.523 -15.530 18.969 1.00 55.55 154 A 1 ATOM 1263 O OH . TYR A 1 154 ? -1.113 -15.902 17.730 1.00 56.55 154 A 1 ATOM 1264 N N . ALA A 1 155 ? -5.010 -12.632 24.653 1.00 64.54 155 A 1 ATOM 1265 C CA . ALA A 1 155 ? -5.615 -12.569 25.973 1.00 65.18 155 A 1 ATOM 1266 C C . ALA A 1 155 ? -5.212 -13.800 26.804 1.00 66.62 155 A 1 ATOM 1267 O O . ALA A 1 155 ? -5.201 -14.936 26.321 1.00 64.34 155 A 1 ATOM 1268 C CB . ALA A 1 155 ? -7.132 -12.446 25.841 1.00 63.51 155 A 1 ATOM 1269 N N . THR A 1 156 ? -4.907 -13.563 28.063 1.00 67.13 156 A 1 ATOM 1270 C CA . THR A 1 156 ? -4.540 -14.592 29.039 1.00 68.64 156 A 1 ATOM 1271 C C . THR A 1 156 ? -5.715 -14.889 29.971 1.00 69.93 156 A 1 ATOM 1272 O O . THR A 1 156 ? -6.710 -14.175 30.016 1.00 66.51 156 A 1 ATOM 1273 C CB . THR A 1 156 ? -3.291 -14.191 29.833 1.00 66.34 156 A 1 ATOM 1274 O OG1 . THR A 1 156 ? -3.575 -13.137 30.706 1.00 60.54 156 A 1 ATOM 1275 C CG2 . THR A 1 156 ? -2.096 -13.816 28.954 1.00 60.74 156 A 1 ATOM 1276 N N . CYS A 1 157 ? -5.611 -15.953 30.750 1.00 67.82 157 A 1 ATOM 1277 C CA . CYS A 1 157 ? -6.636 -16.283 31.749 1.00 68.21 157 A 1 ATOM 1278 C C . CYS A 1 157 ? -6.754 -15.269 32.904 1.00 69.61 157 A 1 ATOM 1279 O O . CYS A 1 157 ? -7.644 -15.415 33.740 1.00 66.67 157 A 1 ATOM 1280 C CB . CYS A 1 157 ? -6.362 -17.692 32.291 1.00 65.56 157 A 1 ATOM 1281 S SG . CYS A 1 157 ? -4.732 -17.779 33.109 1.00 59.69 157 A 1 ATOM 1282 N N . LEU A 1 158 ? -5.832 -14.306 32.968 1.00 65.85 158 A 1 ATOM 1283 C CA . LEU A 1 158 ? -5.841 -13.234 33.964 1.00 67.35 158 A 1 ATOM 1284 C C . LEU A 1 158 ? -6.563 -11.976 33.471 1.00 68.75 158 A 1 ATOM 1285 O O . LEU A 1 158 ? -6.819 -11.083 34.273 1.00 65.82 158 A 1 ATOM 1286 C CB . LEU A 1 158 ? -4.393 -12.903 34.366 1.00 67.88 158 A 1 ATOM 1287 C CG . LEU A 1 158 ? -3.617 -14.062 35.017 1.00 63.92 158 A 1 ATOM 1288 C CD1 . LEU A 1 158 ? -2.168 -13.636 35.263 1.00 59.73 158 A 1 ATOM 1289 C CD2 . LEU A 1 158 ? -4.223 -14.486 36.357 1.00 61.22 158 A 1 ATOM 1290 N N . ASP A 1 159 ? -6.861 -11.910 32.163 1.00 65.77 159 A 1 ATOM 1291 C CA . ASP A 1 159 ? -7.505 -10.757 31.554 1.00 66.44 159 A 1 ATOM 1292 C C . ASP A 1 159 ? -9.029 -10.796 31.741 1.00 66.89 159 A 1 ATOM 1293 O O . ASP A 1 159 ? -9.652 -11.855 31.859 1.00 63.83 159 A 1 ATOM 1294 C CB . ASP A 1 159 ? -7.118 -10.658 30.072 1.00 64.87 159 A 1 ATOM 1295 C CG . ASP A 1 159 ? -5.626 -10.361 29.881 1.00 62.57 159 A 1 ATOM 1296 O OD1 . ASP A 1 159 ? -5.141 -9.380 30.478 1.00 58.85 159 A 1 ATOM 1297 O OD2 . ASP A 1 159 ? -4.969 -11.130 29.143 1.00 61.90 159 A 1 ATOM 1298 N N . ASP A 1 160 ? -9.648 -9.617 31.723 1.00 68.86 160 A 1 ATOM 1299 C CA . ASP A 1 160 ? -11.096 -9.481 31.830 1.00 69.23 160 A 1 ATOM 1300 C C . ASP A 1 160 ? -11.817 -10.029 30.584 1.00 68.51 160 A 1 ATOM 1301 O O . ASP A 1 160 ? -11.330 -9.938 29.460 1.00 64.27 160 A 1 ATOM 1302 C CB . ASP A 1 160 ? -11.478 -8.008 32.046 1.00 66.62 160 A 1 ATOM 1303 C CG . ASP A 1 160 ? -11.222 -7.492 33.465 1.00 59.67 160 A 1 ATOM 1304 O OD1 . ASP A 1 160 ? -11.426 -8.280 34.413 1.00 55.55 160 A 1 ATOM 1305 O OD2 . ASP A 1 160 ? -10.944 -6.279 33.594 1.00 55.23 160 A 1 ATOM 1306 N N . CYS A 1 161 ? -13.059 -10.503 30.743 1.00 67.88 161 A 1 ATOM 1307 C CA . CYS A 1 161 ? -13.877 -11.037 29.640 1.00 67.02 161 A 1 ATOM 1308 C C . CYS A 1 161 ? -14.168 -10.036 28.501 1.00 67.77 161 A 1 ATOM 1309 O O . CYS A 1 161 ? -14.681 -10.438 27.457 1.00 64.35 161 A 1 ATOM 1310 C CB . CYS A 1 161 ? -15.209 -11.545 30.207 1.00 63.77 161 A 1 ATOM 1311 S SG . CYS A 1 161 ? -14.959 -12.883 31.413 1.00 57.06 161 A 1 ATOM 1312 N N . LEU A 1 162 ? -13.898 -8.751 28.700 1.00 63.27 162 A 1 ATOM 1313 C CA . LEU A 1 162 ? -14.074 -7.695 27.698 1.00 64.75 162 A 1 ATOM 1314 C C . LEU A 1 162 ? -12.816 -7.449 26.853 1.00 66.69 162 A 1 ATOM 1315 O O . LEU A 1 162 ? -12.880 -6.703 25.877 1.00 64.64 162 A 1 ATOM 1316 C CB . LEU A 1 162 ? -14.523 -6.401 28.400 1.00 64.34 162 A 1 ATOM 1317 C CG . LEU A 1 162 ? -15.895 -6.475 29.093 1.00 60.23 162 A 1 ATOM 1318 C CD1 . LEU A 1 162 ? -16.158 -5.164 29.838 1.00 56.71 162 A 1 ATOM 1319 C CD2 . LEU A 1 162 ? -17.040 -6.697 28.101 1.00 58.19 162 A 1 ATOM 1320 N N . THR A 1 163 ? -11.677 -8.040 27.223 1.00 62.14 163 A 1 ATOM 1321 C CA . THR A 1 163 ? -10.440 -7.913 26.445 1.00 63.05 163 A 1 ATOM 1322 C C . THR A 1 163 ? -10.539 -8.728 25.150 1.00 64.45 163 A 1 ATOM 1323 O O . THR A 1 163 ? -11.050 -9.850 25.156 1.00 62.47 163 A 1 ATOM 1324 C CB . THR A 1 163 ? -9.194 -8.302 27.249 1.00 61.84 163 A 1 ATOM 1325 O OG1 . THR A 1 163 ? -9.304 -9.599 27.762 1.00 55.90 163 A 1 ATOM 1326 C CG2 . THR A 1 163 ? -8.957 -7.354 28.421 1.00 55.71 163 A 1 ATOM 1327 N N . PRO A 1 164 ? -10.102 -8.181 23.991 1.00 63.13 164 A 1 ATOM 1328 C CA . PRO A 1 164 ? -10.090 -8.930 22.743 1.00 63.23 164 A 1 ATOM 1329 C C . PRO A 1 164 ? -9.114 -10.109 22.846 1.00 64.58 164 A 1 ATOM 1330 O O . PRO A 1 164 ? -8.014 -9.958 23.362 1.00 63.75 164 A 1 ATOM 1331 C CB . PRO A 1 164 ? -9.685 -7.918 21.666 1.00 60.88 164 A 1 ATOM 1332 C CG . PRO A 1 164 ? -8.846 -6.894 22.433 1.00 57.77 164 A 1 ATOM 1333 C CD . PRO A 1 164 ? -9.498 -6.865 23.814 1.00 61.21 164 A 1 ATOM 1334 N N . LEU A 1 165 ? -9.493 -11.269 22.309 1.00 61.89 165 A 1 ATOM 1335 C CA . LEU A 1 165 ? -8.673 -12.489 22.353 1.00 60.51 165 A 1 ATOM 1336 C C . LEU A 1 165 ? -7.316 -12.325 21.655 1.00 63.23 165 A 1 ATOM 1337 O O . LEU A 1 165 ? -6.342 -12.950 22.057 1.00 59.91 165 A 1 ATOM 1338 C CB . LEU A 1 165 ? -9.441 -13.655 21.708 1.00 56.17 165 A 1 ATOM 1339 C CG . LEU A 1 165 ? -10.692 -14.115 22.476 1.00 51.00 165 A 1 ATOM 1340 C CD1 . LEU A 1 165 ? -11.417 -15.188 21.661 1.00 45.62 165 A 1 ATOM 1341 C CD2 . LEU A 1 165 ? -10.348 -14.714 23.843 1.00 46.02 165 A 1 ATOM 1342 N N . VAL A 1 166 ? -7.279 -11.508 20.617 1.00 63.61 166 A 1 ATOM 1343 C CA . VAL A 1 166 ? -6.079 -11.160 19.852 1.00 63.89 166 A 1 ATOM 1344 C C . VAL A 1 166 ? -6.022 -9.642 19.743 1.00 67.21 166 A 1 ATOM 1345 O O . VAL A 1 166 ? -7.028 -9.001 19.430 1.00 64.79 166 A 1 ATOM 1346 C CB . VAL A 1 166 ? -6.076 -11.824 18.459 1.00 59.65 166 A 1 ATOM 1347 C CG1 . VAL A 1 166 ? -4.742 -11.596 17.741 1.00 50.94 166 A 1 ATOM 1348 C CG2 . VAL A 1 166 ? -6.302 -13.339 18.538 1.00 51.24 166 A 1 ATOM 1349 N N . SER A 1 167 ? -4.847 -9.067 19.998 1.00 68.11 167 A 1 ATOM 1350 C CA . SER A 1 167 ? -4.632 -7.639 19.795 1.00 69.65 167 A 1 ATOM 1351 C C . SER A 1 167 ? -4.806 -7.276 18.315 1.00 71.66 167 A 1 ATOM 1352 O O . SER A 1 167 ? -4.470 -8.048 17.414 1.00 69.60 167 A 1 ATOM 1353 C CB . SER A 1 167 ? -3.269 -7.198 20.337 1.00 67.89 167 A 1 ATOM 1354 O OG . SER A 1 167 ? -2.218 -7.700 19.544 1.00 60.93 167 A 1 ATOM 1355 N N . GLN A 1 168 ? -5.331 -6.085 18.033 1.00 70.78 168 A 1 ATOM 1356 C CA . GLN A 1 168 ? -5.605 -5.650 16.658 1.00 70.86 168 A 1 ATOM 1357 C C . GLN A 1 168 ? -4.333 -5.626 15.795 1.00 72.86 168 A 1 ATOM 1358 O O . GLN A 1 168 ? -4.379 -5.968 14.617 1.00 70.70 168 A 1 ATOM 1359 C CB . GLN A 1 168 ? -6.281 -4.274 16.715 1.00 67.74 168 A 1 ATOM 1360 C CG . GLN A 1 168 ? -6.818 -3.821 15.348 1.00 60.73 168 A 1 ATOM 1361 C CD . GLN A 1 168 ? -7.594 -2.509 15.421 1.00 56.31 168 A 1 ATOM 1362 O OE1 . GLN A 1 168 ? -7.648 -1.820 16.423 1.00 51.58 168 A 1 ATOM 1363 N NE2 . GLN A 1 168 ? -8.248 -2.105 14.357 1.00 47.56 168 A 1 ATOM 1364 N N . THR A 1 169 ? -3.188 -5.275 16.381 1.00 72.35 169 A 1 ATOM 1365 C CA . THR A 1 169 ? -1.881 -5.267 15.715 1.00 72.91 169 A 1 ATOM 1366 C C . THR A 1 169 ? -1.418 -6.675 15.351 1.00 75.42 169 A 1 ATOM 1367 O O . THR A 1 169 ? -1.039 -6.912 14.207 1.00 74.34 169 A 1 ATOM 1368 C CB . THR A 1 169 ? -0.831 -4.576 16.596 1.00 70.51 169 A 1 ATOM 1369 O OG1 . THR A 1 169 ? -0.878 -5.077 17.912 1.00 63.24 169 A 1 ATOM 1370 C CG2 . THR A 1 169 ? -1.084 -3.073 16.699 1.00 61.68 169 A 1 ATOM 1371 N N . ALA A 1 170 ? -1.534 -7.640 16.272 1.00 78.04 170 A 1 ATOM 1372 C CA . ALA A 1 170 ? -1.221 -9.042 16.006 1.00 79.38 170 A 1 ATOM 1373 C C . ALA A 1 170 ? -2.151 -9.630 14.933 1.00 81.24 170 A 1 ATOM 1374 O O . ALA A 1 170 ? -1.687 -10.289 14.006 1.00 81.17 170 A 1 ATOM 1375 C CB . ALA A 1 170 ? -1.306 -9.825 17.321 1.00 79.59 170 A 1 ATOM 1376 N N . ALA A 1 171 ? -3.449 -9.314 14.981 1.00 81.42 171 A 1 ATOM 1377 C CA . ALA A 1 171 ? -4.424 -9.786 14.003 1.00 80.86 171 A 1 ATOM 1378 C C . ALA A 1 171 ? -4.110 -9.327 12.568 1.00 82.21 171 A 1 ATOM 1379 O O . ALA A 1 171 ? -4.301 -10.096 11.629 1.00 81.56 171 A 1 ATOM 1380 C CB . ALA A 1 171 ? -5.817 -9.322 14.445 1.00 79.65 171 A 1 ATOM 1381 N N . ILE A 1 172 ? -3.601 -8.098 12.374 1.00 80.91 172 A 1 ATOM 1382 C CA . ILE A 1 172 ? -3.174 -7.591 11.057 1.00 80.58 172 A 1 ATOM 1383 C C . ILE A 1 172 ? -2.001 -8.414 10.523 1.00 82.87 172 A 1 ATOM 1384 O O . ILE A 1 172 ? -2.042 -8.876 9.381 1.00 82.66 172 A 1 ATOM 1385 C CB . ILE A 1 172 ? -2.810 -6.088 11.128 1.00 78.50 172 A 1 ATOM 1386 C CG1 . ILE A 1 172 ? -4.061 -5.234 11.412 1.00 71.85 172 A 1 ATOM 1387 C CG2 . ILE A 1 172 ? -2.168 -5.608 9.808 1.00 70.44 172 A 1 ATOM 1388 C CD1 . ILE A 1 172 ? -3.742 -3.813 11.904 1.00 65.58 172 A 1 ATOM 1389 N N . LEU A 1 173 ? -0.967 -8.620 11.350 1.00 83.94 173 A 1 ATOM 1390 C CA . LEU A 1 173 ? 0.223 -9.382 10.974 1.00 84.63 173 A 1 ATOM 1391 C C . LEU A 1 173 ? -0.140 -10.828 10.616 1.00 85.58 173 A 1 ATOM 1392 O O . LEU A 1 173 ? 0.191 -11.304 9.530 1.00 85.47 173 A 1 ATOM 1393 C CB . LEU A 1 173 ? 1.238 -9.312 12.132 1.00 84.99 173 A 1 ATOM 1394 C CG . LEU A 1 173 ? 2.535 -10.100 11.871 1.00 83.75 173 A 1 ATOM 1395 C CD1 . LEU A 1 173 ? 3.355 -9.488 10.734 1.00 80.19 173 A 1 ATOM 1396 C CD2 . LEU A 1 173 ? 3.386 -10.126 13.133 1.00 80.25 173 A 1 ATOM 1397 N N . GLU A 1 174 ? -0.872 -11.513 11.499 1.00 87.32 174 A 1 ATOM 1398 C CA . GLU A 1 174 ? -1.284 -12.902 11.302 1.00 87.30 174 A 1 ATOM 1399 C C . GLU A 1 174 ? -2.154 -13.075 10.061 1.00 87.85 174 A 1 ATOM 1400 O O . GLU A 1 174 ? -1.939 -14.002 9.285 1.00 86.83 174 A 1 ATOM 1401 C CB . GLU A 1 174 ? -2.072 -13.410 12.514 1.00 86.81 174 A 1 ATOM 1402 C CG . GLU A 1 174 ? -1.199 -13.648 13.742 1.00 83.72 174 A 1 ATOM 1403 C CD . GLU A 1 174 ? -1.990 -14.256 14.907 1.00 84.05 174 A 1 ATOM 1404 O OE1 . GLU A 1 174 ? -1.509 -14.150 16.047 1.00 77.20 174 A 1 ATOM 1405 O OE2 . GLU A 1 174 ? -3.047 -14.892 14.650 1.00 78.23 174 A 1 ATOM 1406 N N . CYS A 1 175 ? -3.124 -12.196 9.843 1.00 88.95 175 A 1 ATOM 1407 C CA . CYS A 1 175 ? -3.994 -12.242 8.677 1.00 88.29 175 A 1 ATOM 1408 C C . CYS A 1 175 ? -3.192 -12.095 7.384 1.00 88.87 175 A 1 ATOM 1409 O O . CYS A 1 175 ? -3.316 -12.934 6.491 1.00 87.88 175 A 1 ATOM 1410 C CB . CYS A 1 175 ? -5.060 -11.160 8.819 1.00 86.69 175 A 1 ATOM 1411 S SG . CYS A 1 175 ? -6.113 -10.988 7.363 1.00 80.33 175 A 1 ATOM 1412 N N . THR A 1 176 ? -2.319 -11.080 7.309 1.00 86.07 176 A 1 ATOM 1413 C CA . THR A 1 176 ? -1.522 -10.800 6.108 1.00 85.39 176 A 1 ATOM 1414 C C . THR A 1 176 ? -0.586 -11.962 5.798 1.00 86.81 176 A 1 ATOM 1415 O O . THR A 1 176 ? -0.605 -12.498 4.690 1.00 86.19 176 A 1 ATOM 1416 C CB . THR A 1 176 ? -0.735 -9.490 6.254 1.00 83.90 176 A 1 ATOM 1417 O OG1 . THR A 1 176 ? -1.588 -8.443 6.643 1.00 76.06 176 A 1 ATOM 1418 C CG2 . THR A 1 176 ? -0.091 -9.077 4.931 1.00 74.63 176 A 1 ATOM 1419 N N . LEU A 1 177 ? 0.178 -12.445 6.779 1.00 88.34 177 A 1 ATOM 1420 C CA . LEU A 1 177 ? 1.093 -13.568 6.574 1.00 88.87 177 A 1 ATOM 1421 C C . LEU A 1 177 ? 0.347 -14.855 6.201 1.00 89.26 177 A 1 ATOM 1422 O O . LEU A 1 177 ? 0.760 -15.571 5.287 1.00 88.42 177 A 1 ATOM 1423 C CB . LEU A 1 177 ? 1.964 -13.762 7.826 1.00 89.42 177 A 1 ATOM 1424 C CG . LEU A 1 177 ? 2.974 -12.632 8.099 1.00 88.95 177 A 1 ATOM 1425 C CD1 . LEU A 1 177 ? 3.783 -12.971 9.349 1.00 84.70 177 A 1 ATOM 1426 C CD2 . LEU A 1 177 ? 3.965 -12.433 6.950 1.00 84.60 177 A 1 ATOM 1427 N N . ASN A 1 178 ? -0.797 -15.150 6.835 1.00 89.85 178 A 1 ATOM 1428 C CA . ASN A 1 178 ? -1.602 -16.328 6.503 1.00 89.09 178 A 1 ATOM 1429 C C . ASN A 1 178 ? -2.196 -16.288 5.091 1.00 88.77 178 A 1 ATOM 1430 O O . ASN A 1 178 ? -2.422 -17.357 4.517 1.00 86.73 178 A 1 ATOM 1431 C CB . ASN A 1 178 ? -2.719 -16.507 7.538 1.00 88.99 178 A 1 ATOM 1432 C CG . ASN A 1 178 ? -2.262 -17.298 8.741 1.00 86.56 178 A 1 ATOM 1433 O OD1 . ASN A 1 178 ? -1.857 -18.450 8.612 1.00 78.26 178 A 1 ATOM 1434 N ND2 . ASN A 1 178 ? -2.375 -16.753 9.925 1.00 78.56 178 A 1 ATOM 1435 N N . GLN A 1 179 ? -2.445 -15.105 4.527 1.00 88.51 179 A 1 ATOM 1436 C CA . GLN A 1 179 ? -2.945 -14.959 3.161 1.00 86.84 179 A 1 ATOM 1437 C C . GLN A 1 179 ? -1.879 -15.309 2.119 1.00 86.35 179 A 1 ATOM 1438 O O . GLN A 1 179 ? -2.186 -15.944 1.105 1.00 83.83 179 A 1 ATOM 1439 C CB . GLN A 1 179 ? -3.488 -13.537 3.002 1.00 85.47 179 A 1 ATOM 1440 C CG . GLN A 1 179 ? -4.100 -13.309 1.614 1.00 77.48 179 A 1 ATOM 1441 C CD . GLN A 1 179 ? -5.065 -12.135 1.583 1.00 74.85 179 A 1 ATOM 1442 O OE1 . GLN A 1 179 ? -5.604 -11.712 2.587 1.00 67.56 179 A 1 ATOM 1443 N NE2 . GLN A 1 179 ? -5.383 -11.612 0.428 1.00 64.86 179 A 1 ATOM 1444 N N . PHE A 1 180 ? -0.604 -14.972 2.385 1.00 84.28 180 A 1 ATOM 1445 C CA . PHE A 1 180 ? 0.516 -15.217 1.465 1.00 81.86 180 A 1 ATOM 1446 C C . PHE A 1 180 ? 1.280 -16.515 1.730 1.00 82.26 180 A 1 ATOM 1447 O O . PHE A 1 180 ? 2.299 -16.780 1.091 1.00 78.93 180 A 1 ATOM 1448 C CB . PHE A 1 180 ? 1.434 -13.992 1.456 1.00 80.81 180 A 1 ATOM 1449 C CG . PHE A 1 180 ? 0.730 -12.785 0.878 1.00 78.63 180 A 1 ATOM 1450 C CD1 . PHE A 1 180 ? 0.397 -12.760 -0.491 1.00 75.13 180 A 1 ATOM 1451 C CD2 . PHE A 1 180 ? 0.319 -11.742 1.722 1.00 74.70 180 A 1 ATOM 1452 C CE1 . PHE A 1 180 ? -0.380 -11.719 -1.009 1.00 70.82 180 A 1 ATOM 1453 C CE2 . PHE A 1 180 ? -0.460 -10.697 1.200 1.00 72.36 180 A 1 ATOM 1454 C CZ . PHE A 1 180 ? -0.817 -10.698 -0.161 1.00 71.51 180 A 1 ATOM 1455 N N . LYS A 1 181 ? 0.810 -17.359 2.642 1.00 86.25 181 A 1 ATOM 1456 C CA . LYS A 1 181 ? 1.464 -18.636 2.931 1.00 85.44 181 A 1 ATOM 1457 C C . LYS A 1 181 ? 1.347 -19.618 1.773 1.00 85.10 181 A 1 ATOM 1458 O O . LYS A 1 181 ? 0.343 -19.687 1.061 1.00 81.76 181 A 1 ATOM 1459 C CB . LYS A 1 181 ? 0.982 -19.211 4.269 1.00 83.87 181 A 1 ATOM 1460 C CG . LYS A 1 181 ? -0.411 -19.843 4.210 1.00 81.08 181 A 1 ATOM 1461 C CD . LYS A 1 181 ? -0.853 -20.197 5.630 1.00 79.88 181 A 1 ATOM 1462 C CE . LYS A 1 181 ? -2.319 -20.627 5.667 1.00 73.31 181 A 1 ATOM 1463 N NZ . LYS A 1 181 ? -2.785 -20.672 7.073 1.00 67.80 181 A 1 ATOM 1464 N N . LEU A 1 182 ? 2.379 -20.446 1.625 1.00 81.76 182 A 1 ATOM 1465 C CA . LEU A 1 182 ? 2.341 -21.568 0.695 1.00 80.57 182 A 1 ATOM 1466 C C . LEU A 1 182 ? 1.257 -22.573 1.117 1.00 82.55 182 A 1 ATOM 1467 O O . LEU A 1 182 ? 1.148 -22.940 2.289 1.00 80.14 182 A 1 ATOM 1468 C CB . LEU A 1 182 ? 3.734 -22.216 0.633 1.00 77.04 182 A 1 ATOM 1469 C CG . LEU A 1 182 ? 3.862 -23.414 -0.330 1.00 69.26 182 A 1 ATOM 1470 C CD1 . LEU A 1 182 ? 3.614 -23.043 -1.790 1.00 65.38 182 A 1 ATOM 1471 C CD2 . LEU A 1 182 ? 5.268 -24.011 -0.229 1.00 63.21 182 A 1 ATOM 1472 N N . GLY A 1 183 ? 0.495 -23.086 0.142 1.00 84.81 183 A 1 ATOM 1473 C CA . GLY A 1 183 ? -0.474 -24.151 0.375 1.00 84.66 183 A 1 ATOM 1474 C C . GLY A 1 183 ? 0.173 -25.352 1.078 1.00 85.75 183 A 1 ATOM 1475 O O . GLY A 1 183 ? 1.193 -25.872 0.634 1.00 82.45 183 A 1 ATOM 1476 N N . GLY A 1 184 ? -0.410 -25.789 2.195 1.00 84.47 184 A 1 ATOM 1477 C CA . GLY A 1 184 ? 0.113 -26.889 3.012 1.00 85.06 184 A 1 ATOM 1478 C C . GLY A 1 184 ? 1.206 -26.501 4.014 1.00 86.76 184 A 1 ATOM 1479 O O . GLY A 1 184 ? 1.689 -27.377 4.726 1.00 84.17 184 A 1 ATOM 1480 N N . LYS A 1 185 ? 1.590 -25.215 4.091 1.00 84.84 185 A 1 ATOM 1481 C CA . LYS A 1 185 ? 2.421 -24.658 5.166 1.00 85.10 185 A 1 ATOM 1482 C C . LYS A 1 185 ? 1.561 -23.868 6.157 1.00 87.80 185 A 1 ATOM 1483 O O . LYS A 1 185 ? 0.544 -23.291 5.787 1.00 86.30 185 A 1 ATOM 1484 C CB . LYS A 1 185 ? 3.560 -23.805 4.587 1.00 83.18 185 A 1 ATOM 1485 C CG . LYS A 1 185 ? 4.605 -24.609 3.788 1.00 79.94 185 A 1 ATOM 1486 C CD . LYS A 1 185 ? 5.447 -25.524 4.691 1.00 76.79 185 A 1 ATOM 1487 C CE . LYS A 1 185 ? 6.607 -26.169 3.918 1.00 72.93 185 A 1 ATOM 1488 N NZ . LYS A 1 185 ? 7.515 -26.898 4.839 1.00 66.37 185 A 1 ATOM 1489 N N . TYR A 1 186 ? 1.998 -23.862 7.400 1.00 89.01 186 A 1 ATOM 1490 C CA . TYR A 1 186 ? 1.343 -23.160 8.501 1.00 89.38 186 A 1 ATOM 1491 C C . TYR A 1 186 ? 2.369 -22.322 9.254 1.00 90.78 186 A 1 ATOM 1492 O O . TYR A 1 186 ? 3.567 -22.615 9.211 1.00 89.29 186 A 1 ATOM 1493 C CB . TYR A 1 186 ? 0.654 -24.173 9.424 1.00 87.77 186 A 1 ATOM 1494 C CG . TYR A 1 186 ? -0.387 -25.035 8.733 1.00 85.03 186 A 1 ATOM 1495 C CD1 . TYR A 1 186 ? -1.710 -24.567 8.594 1.00 79.58 186 A 1 ATOM 1496 C CD2 . TYR A 1 186 ? -0.028 -26.294 8.202 1.00 79.34 186 A 1 ATOM 1497 C CE1 . TYR A 1 186 ? -2.673 -25.355 7.930 1.00 74.05 186 A 1 ATOM 1498 C CE2 . TYR A 1 186 ? -0.986 -27.080 7.533 1.00 75.37 186 A 1 ATOM 1499 C CZ . TYR A 1 186 ? -2.313 -26.609 7.401 1.00 74.94 186 A 1 ATOM 1500 O OH . TYR A 1 186 ? -3.243 -27.367 6.755 1.00 73.46 186 A 1 ATOM 1501 N N . TYR A 1 187 ? 1.897 -21.285 9.927 1.00 90.42 187 A 1 ATOM 1502 C CA . TYR A 1 187 ? 2.719 -20.419 10.757 1.00 91.08 187 A 1 ATOM 1503 C C . TYR A 1 187 ? 2.341 -20.593 12.227 1.00 91.56 187 A 1 ATOM 1504 O O . TYR A 1 187 ? 1.161 -20.660 12.559 1.00 89.71 187 A 1 ATOM 1505 C CB . TYR A 1 187 ? 2.597 -18.966 10.284 1.00 90.37 187 A 1 ATOM 1506 C CG . TYR A 1 187 ? 3.055 -18.691 8.853 1.00 90.53 187 A 1 ATOM 1507 C CD1 . TYR A 1 187 ? 4.062 -19.467 8.248 1.00 86.41 187 A 1 ATOM 1508 C CD2 . TYR A 1 187 ? 2.479 -17.635 8.128 1.00 86.71 187 A 1 ATOM 1509 C CE1 . TYR A 1 187 ? 4.479 -19.200 6.929 1.00 85.91 187 A 1 ATOM 1510 C CE2 . TYR A 1 187 ? 2.897 -17.360 6.811 1.00 86.57 187 A 1 ATOM 1511 C CZ . TYR A 1 187 ? 3.896 -18.146 6.210 1.00 87.40 187 A 1 ATOM 1512 O OH . TYR A 1 187 ? 4.299 -17.889 4.941 1.00 85.15 187 A 1 ATOM 1513 N N . GLU A 1 188 ? 3.358 -20.707 13.074 1.00 90.07 188 A 1 ATOM 1514 C CA . GLU A 1 188 ? 3.246 -20.673 14.530 1.00 89.91 188 A 1 ATOM 1515 C C . GLU A 1 188 ? 3.840 -19.341 14.996 1.00 90.68 188 A 1 ATOM 1516 O O . GLU A 1 188 ? 5.035 -19.114 14.836 1.00 89.50 188 A 1 ATOM 1517 C CB . GLU A 1 188 ? 3.951 -21.907 15.137 1.00 88.12 188 A 1 ATOM 1518 C CG . GLU A 1 188 ? 3.902 -21.976 16.674 1.00 81.98 188 A 1 ATOM 1519 C CD . GLU A 1 188 ? 4.521 -23.282 17.239 1.00 82.18 188 A 1 ATOM 1520 O OE1 . GLU A 1 188 ? 3.921 -23.893 18.147 1.00 72.97 188 A 1 ATOM 1521 O OE2 . GLU A 1 188 ? 5.596 -23.725 16.769 1.00 75.53 188 A 1 ATOM 1522 N N . PHE A 1 189 ? 3.001 -18.450 15.501 1.00 89.83 189 A 1 ATOM 1523 C CA . PHE A 1 189 ? 3.423 -17.130 15.963 1.00 89.64 189 A 1 ATOM 1524 C C . PHE A 1 189 ? 3.841 -17.201 17.428 1.00 89.99 189 A 1 ATOM 1525 O O . PHE A 1 189 ? 3.074 -17.659 18.277 1.00 88.97 189 A 1 ATOM 1526 C CB . PHE A 1 189 ? 2.302 -16.109 15.738 1.00 89.49 189 A 1 ATOM 1527 C CG . PHE A 1 189 ? 1.933 -15.922 14.278 1.00 89.47 189 A 1 ATOM 1528 C CD1 . PHE A 1 189 ? 2.647 -15.009 13.482 1.00 85.93 189 A 1 ATOM 1529 C CD2 . PHE A 1 189 ? 0.887 -16.674 13.706 1.00 86.52 189 A 1 ATOM 1530 C CE1 . PHE A 1 189 ? 2.314 -14.839 12.126 1.00 85.89 189 A 1 ATOM 1531 C CE2 . PHE A 1 189 ? 0.556 -16.509 12.345 1.00 86.60 189 A 1 ATOM 1532 C CZ . PHE A 1 189 ? 1.268 -15.586 11.557 1.00 87.45 189 A 1 ATOM 1533 N N . ILE A 1 190 ? 5.061 -16.752 17.704 1.00 88.81 190 A 1 ATOM 1534 C CA . ILE A 1 190 ? 5.630 -16.677 19.044 1.00 88.41 190 A 1 ATOM 1535 C C . ILE A 1 190 ? 5.908 -15.204 19.327 1.00 88.95 190 A 1 ATOM 1536 O O . ILE A 1 190 ? 6.771 -14.600 18.701 1.00 87.78 190 A 1 ATOM 1537 C CB . ILE A 1 190 ? 6.897 -17.558 19.162 1.00 87.61 190 A 1 ATOM 1538 C CG1 . ILE A 1 190 ? 6.582 -19.033 18.807 1.00 84.88 190 A 1 ATOM 1539 C CG2 . ILE A 1 190 ? 7.472 -17.449 20.587 1.00 84.04 190 A 1 ATOM 1540 C CD1 . ILE A 1 190 ? 7.811 -19.954 18.757 1.00 77.73 190 A 1 ATOM 1541 N N . TYR A 1 191 ? 5.158 -14.630 20.252 1.00 86.84 191 A 1 ATOM 1542 C CA . TYR A 1 191 ? 5.325 -13.235 20.638 1.00 85.27 191 A 1 ATOM 1543 C C . TYR A 1 191 ? 6.309 -13.138 21.799 1.00 84.76 191 A 1 ATOM 1544 O O . TYR A 1 191 ? 6.088 -13.733 22.853 1.00 82.37 191 A 1 ATOM 1545 C CB . TYR A 1 191 ? 3.963 -12.620 20.965 1.00 84.91 191 A 1 ATOM 1546 C CG . TYR A 1 191 ? 3.046 -12.559 19.756 1.00 84.69 191 A 1 ATOM 1547 C CD1 . TYR A 1 191 ? 3.147 -11.485 18.853 1.00 80.61 191 A 1 ATOM 1548 C CD2 . TYR A 1 191 ? 2.121 -13.593 19.506 1.00 81.46 191 A 1 ATOM 1549 C CE1 . TYR A 1 191 ? 2.316 -11.430 17.714 1.00 80.43 191 A 1 ATOM 1550 C CE2 . TYR A 1 191 ? 1.292 -13.544 18.368 1.00 80.85 191 A 1 ATOM 1551 C CZ . TYR A 1 191 ? 1.386 -12.457 17.472 1.00 82.47 191 A 1 ATOM 1552 O OH . TYR A 1 191 ? 0.585 -12.396 16.380 1.00 80.82 191 A 1 ATOM 1553 N N . GLU A 1 192 ? 7.391 -12.401 21.581 1.00 83.92 192 A 1 ATOM 1554 C CA . GLU A 1 192 ? 8.427 -12.144 22.573 1.00 81.42 192 A 1 ATOM 1555 C C . GLU A 1 192 ? 8.296 -10.701 23.068 1.00 78.61 192 A 1 ATOM 1556 O O . GLU A 1 192 ? 8.192 -9.758 22.281 1.00 71.42 192 A 1 ATOM 1557 C CB . GLU A 1 192 ? 9.822 -12.429 21.989 1.00 79.70 192 A 1 ATOM 1558 C CG . GLU A 1 192 ? 10.009 -13.919 21.630 1.00 74.86 192 A 1 ATOM 1559 C CD . GLU A 1 192 ? 11.404 -14.269 21.076 1.00 73.04 192 A 1 ATOM 1560 O OE1 . GLU A 1 192 ? 11.649 -15.485 20.875 1.00 67.01 192 A 1 ATOM 1561 O OE2 . GLU A 1 192 ? 12.221 -13.351 20.834 1.00 68.36 192 A 1 ATOM 1562 N N . GLU A 1 193 ? 8.298 -10.524 24.379 1.00 78.33 193 A 1 ATOM 1563 C CA . GLU A 1 193 ? 8.396 -9.184 24.954 1.00 73.69 193 A 1 ATOM 1564 C C . GLU A 1 193 ? 9.792 -8.630 24.658 1.00 70.62 193 A 1 ATOM 1565 O O . GLU A 1 193 ? 10.803 -9.273 24.940 1.00 63.92 193 A 1 ATOM 1566 C CB . GLU A 1 193 ? 8.081 -9.196 26.461 1.00 69.42 193 A 1 ATOM 1567 C CG . GLU A 1 193 ? 6.600 -9.516 26.746 1.00 61.77 193 A 1 ATOM 1568 C CD . GLU A 1 193 ? 6.207 -9.432 28.236 1.00 57.58 193 A 1 ATOM 1569 O OE1 . GLU A 1 193 ? 4.983 -9.511 28.511 1.00 54.21 193 A 1 ATOM 1570 O OE2 . GLU A 1 193 ? 7.101 -9.290 29.100 1.00 51.42 193 A 1 ATOM 1571 N N . SER A 1 194 ? 9.867 -7.444 24.060 1.00 61.69 194 A 1 ATOM 1572 C CA . SER A 1 194 ? 11.136 -6.740 23.884 1.00 59.70 194 A 1 ATOM 1573 C C . SER A 1 194 ? 11.704 -6.407 25.261 1.00 57.97 194 A 1 ATOM 1574 O O . SER A 1 194 ? 11.084 -5.641 26.000 1.00 53.87 194 A 1 ATOM 1575 C CB . SER A 1 194 ? 10.937 -5.469 23.054 1.00 55.63 194 A 1 ATOM 1576 O OG . SER A 1 194 ? 9.929 -4.651 23.616 1.00 49.70 194 A 1 ATOM 1577 N N . VAL A 1 195 ? 12.857 -7.001 25.600 1.00 56.86 195 A 1 ATOM 1578 C CA . VAL A 1 195 ? 13.644 -6.686 26.807 1.00 56.92 195 A 1 ATOM 1579 C C . VAL A 1 195 ? 14.283 -5.309 26.681 1.00 53.23 195 A 1 ATOM 1580 O O . VAL A 1 195 ? 14.805 -5.008 25.591 1.00 48.52 195 A 1 ATOM 1581 C CB . VAL A 1 195 ? 14.707 -7.763 27.079 1.00 52.48 195 A 1 ATOM 1582 C CG1 . VAL A 1 195 ? 15.536 -7.436 28.338 1.00 45.25 195 A 1 ATOM 1583 C CG2 . VAL A 1 195 ? 14.050 -9.129 27.304 1.00 46.99 195 A 1 ATOM 1584 O OXT . VAL A 1 195 ? 14.265 -4.593 27.711 1.00 48.37 195 A 1 #