# 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_acric1 # _entry.id acric1 # 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 ASN 2 1 n ASN 3 1 n LEU 4 1 n LYS 5 1 n LYS 6 1 n THR 7 1 n ALA 8 1 n ILE 9 1 n THR 10 1 n HIS 11 1 n ASP 12 1 n GLY 13 1 n VAL 14 1 n PHE 15 1 n ALA 16 1 n TYR 17 1 n LYS 18 1 n ASN 19 1 n THR 20 1 n GLU 21 1 n THR 22 1 n VAL 23 1 n ILE 24 1 n GLY 25 1 n SER 26 1 n VAL 27 1 n GLY 28 1 n ARG 29 1 n ASN 30 1 n ASP 31 1 n ILE 32 1 n VAL 33 1 n MET 34 1 n ALA 35 1 n ILE 36 1 n ASP 37 1 n ALA 38 1 n THR 39 1 n HIS 40 1 n GLY 41 1 n GLU 42 1 n PHE 43 1 n ASN 44 1 n ASP 45 1 n LYS 46 1 n ASN 47 1 n PHE 48 1 n ILE 49 1 n ILE 50 1 n TYR 51 1 n ALA 52 1 n ASP 53 1 n THR 54 1 n ASN 55 1 n GLY 56 1 n ASN 57 1 n PRO 58 1 n ILE 59 1 n TYR 60 1 n LEU 61 1 n GLY 62 1 n TYR 63 1 n ALA 64 1 n TYR 65 1 n LEU 66 1 n ASP 67 1 n ASP 68 1 n ASN 69 1 n ASN 70 1 n ASP 71 1 n ALA 72 1 n HIS 73 1 n ILE 74 1 n ASP 75 1 n LEU 76 1 n ALA 77 1 n VAL 78 1 n GLY 79 1 n ALA 80 1 n CYS 81 1 n ASN 82 1 n GLU 83 1 n ASP 84 1 n ASP 85 1 n ASP 86 1 n PHE 87 1 n ASP 88 1 n GLU 89 1 n LYS 90 1 n GLU 91 1 n ILE 92 1 n HIS 93 1 n GLU 94 1 n MET 95 1 n ILE 96 1 n ALA 97 1 n GLU 98 1 n GLN 99 1 n MET 100 1 n GLU 101 1 n LEU 102 1 n ALA 103 1 n LYS 104 1 n ARG 105 1 n TYR 106 1 n GLN 107 1 n GLU 108 1 n LEU 109 1 n GLY 110 1 n ASP 111 1 n THR 112 1 n VAL 113 1 n HIS 114 1 n GLY 115 1 n THR 116 1 n THR 117 1 n ARG 118 1 n LEU 119 1 n ALA 120 1 n PHE 121 1 n ASP 122 1 n ASP 123 1 n ASP 124 1 n GLY 125 1 n TYR 126 1 n MET 127 1 n THR 128 1 n VAL 129 1 n ARG 130 1 n LEU 131 1 n ASP 132 1 n GLN 133 1 n GLN 134 1 n ALA 135 1 n TYR 136 1 n PRO 137 1 n ASP 138 1 n TYR 139 1 n ARG 140 1 n PRO 141 1 n GLU 142 1 n ASN 143 1 n ASP 144 1 n ASP 145 1 n LYS 146 1 n HIS 147 1 n ILE 148 1 n MET 149 1 n TRP 150 1 n ARG 151 1 n ALA 152 1 n LEU 153 1 n ALA 154 1 n LEU 155 1 n THR 156 1 n ALA 157 1 n THR 158 1 n GLY 159 1 n LYS 160 1 n GLU 161 1 n LEU 162 1 n GLU 163 1 n VAL 164 1 n PHE 165 1 n TRP 166 1 n LEU 167 1 n VAL 168 1 n GLU 169 1 n ASP 170 1 n TYR 171 1 n GLU 172 1 n ASP 173 1 n GLU 174 1 n GLU 175 1 n VAL 176 1 n ASN 177 1 n SER 178 1 n TRP 179 1 n ASP 180 1 n PHE 181 1 n ASP 182 1 n ILE 183 1 n ALA 184 1 n ASP 185 1 n ASP 186 1 n TRP 187 1 n ARG 188 1 n GLU 189 1 n LEU 190 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-06 19:36:21)" _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 36.48 _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 27.67 1 1 A ASN 2 2 27.99 1 2 A ASN 3 2 27.10 1 3 A LEU 4 2 23.75 1 4 A LYS 5 2 25.69 1 5 A LYS 6 2 25.07 1 6 A THR 7 2 25.85 1 7 A ALA 8 2 26.77 1 8 A ILE 9 2 24.30 1 9 A THR 10 2 24.22 1 10 A HIS 11 2 22.33 1 11 A ASP 12 2 24.64 1 12 A GLY 13 2 23.26 1 13 A VAL 14 2 23.11 1 14 A PHE 15 2 20.99 1 15 A ALA 16 2 28.06 1 16 A TYR 17 2 24.93 1 17 A LYS 18 2 27.37 1 18 A ASN 19 2 28.09 1 19 A THR 20 2 26.96 1 20 A GLU 21 2 22.84 1 21 A THR 22 2 25.05 1 22 A VAL 23 2 21.93 1 23 A ILE 24 2 27.38 1 24 A GLY 25 2 28.30 1 25 A SER 26 2 24.09 1 26 A VAL 27 2 27.03 1 27 A GLY 28 2 27.14 1 28 A ARG 29 2 20.09 1 29 A ASN 30 2 24.64 1 30 A ASP 31 2 28.73 1 31 A ILE 32 2 25.55 1 32 A VAL 33 2 27.70 1 33 A MET 34 2 26.28 1 34 A ALA 35 2 26.38 1 35 A ILE 36 2 28.13 1 36 A ASP 37 2 24.64 1 37 A ALA 38 2 28.06 1 38 A THR 39 2 24.19 1 39 A HIS 40 2 22.63 1 40 A GLY 41 2 30.17 1 41 A GLU 42 2 29.53 1 42 A PHE 43 2 28.87 1 43 A ASN 44 2 30.79 1 44 A ASP 45 2 29.76 1 45 A LYS 46 2 28.17 1 46 A ASN 47 2 31.87 1 47 A PHE 48 2 31.78 1 48 A ILE 49 2 35.02 1 49 A ILE 50 2 35.40 1 50 A TYR 51 2 33.41 1 51 A ALA 52 2 36.14 1 52 A ASP 53 2 35.94 1 53 A THR 54 2 33.14 1 54 A ASN 55 2 38.22 1 55 A GLY 56 2 38.98 1 56 A ASN 57 2 38.36 1 57 A PRO 58 2 36.86 1 58 A ILE 59 2 35.21 1 59 A TYR 60 2 33.93 1 60 A LEU 61 2 37.22 1 61 A GLY 62 2 43.22 1 62 A TYR 63 2 37.04 1 63 A ALA 64 2 42.65 1 64 A TYR 65 2 38.33 1 65 A LEU 66 2 41.88 1 66 A ASP 67 2 43.18 1 67 A ASP 68 2 49.09 1 68 A ASN 69 2 51.68 1 69 A ASN 70 2 45.18 1 70 A ASP 71 2 42.25 1 71 A ALA 72 2 41.88 1 72 A HIS 73 2 37.15 1 73 A ILE 74 2 38.98 1 74 A ASP 75 2 41.20 1 75 A LEU 76 2 38.06 1 76 A ALA 77 2 36.80 1 77 A VAL 78 2 34.33 1 78 A GLY 79 2 30.56 1 79 A ALA 80 2 27.72 1 80 A CYS 81 2 32.16 1 81 A ASN 82 2 31.63 1 82 A GLU 83 2 34.12 1 83 A ASP 84 2 42.21 1 84 A ASP 85 2 46.03 1 85 A ASP 86 2 47.68 1 86 A PHE 87 2 44.81 1 87 A ASP 88 2 51.74 1 88 A GLU 89 2 46.35 1 89 A LYS 90 2 53.86 1 90 A GLU 91 2 52.85 1 91 A ILE 92 2 46.02 1 92 A HIS 93 2 46.37 1 93 A GLU 94 2 55.91 1 94 A MET 95 2 49.29 1 95 A ILE 96 2 48.50 1 96 A ALA 97 2 56.37 1 97 A GLU 98 2 52.68 1 98 A GLN 99 2 46.47 1 99 A MET 100 2 47.35 1 100 A GLU 101 2 51.61 1 101 A LEU 102 2 48.12 1 102 A ALA 103 2 48.99 1 103 A LYS 104 2 47.64 1 104 A ARG 105 2 44.86 1 105 A TYR 106 2 41.04 1 106 A GLN 107 2 43.31 1 107 A GLU 108 2 47.97 1 108 A LEU 109 2 43.52 1 109 A GLY 110 2 41.46 1 110 A ASP 111 2 34.87 1 111 A THR 112 2 29.67 1 112 A VAL 113 2 31.57 1 113 A HIS 114 2 27.18 1 114 A GLY 115 2 33.57 1 115 A THR 116 2 32.34 1 116 A THR 117 2 35.84 1 117 A ARG 118 2 31.30 1 118 A LEU 119 2 35.34 1 119 A ALA 120 2 36.33 1 120 A PHE 121 2 31.39 1 121 A ASP 122 2 33.27 1 122 A ASP 123 2 35.34 1 123 A ASP 124 2 33.92 1 124 A GLY 125 2 33.04 1 125 A TYR 126 2 26.87 1 126 A MET 127 2 31.95 1 127 A THR 128 2 33.35 1 128 A VAL 129 2 35.86 1 129 A ARG 130 2 31.02 1 130 A LEU 131 2 34.23 1 131 A ASP 132 2 34.23 1 132 A GLN 133 2 28.87 1 133 A GLN 134 2 29.36 1 134 A ALA 135 2 38.51 1 135 A TYR 136 2 32.61 1 136 A PRO 137 2 43.66 1 137 A ASP 138 2 44.99 1 138 A TYR 139 2 39.57 1 139 A ARG 140 2 46.89 1 140 A PRO 141 2 49.36 1 141 A GLU 142 2 49.26 1 142 A ASN 143 2 52.71 1 143 A ASP 144 2 52.40 1 144 A ASP 145 2 53.10 1 145 A LYS 146 2 49.53 1 146 A HIS 147 2 48.03 1 147 A ILE 148 2 48.41 1 148 A MET 149 2 45.82 1 149 A TRP 150 2 42.81 1 150 A ARG 151 2 44.74 1 151 A ALA 152 2 48.68 1 152 A LEU 153 2 43.10 1 153 A ALA 154 2 43.57 1 154 A LEU 155 2 37.87 1 155 A THR 156 2 37.21 1 156 A ALA 157 2 36.51 1 157 A THR 158 2 37.09 1 158 A GLY 159 2 45.03 1 159 A LYS 160 2 41.59 1 160 A GLU 161 2 42.86 1 161 A LEU 162 2 41.02 1 162 A GLU 163 2 44.78 1 163 A VAL 164 2 42.62 1 164 A PHE 165 2 39.44 1 165 A TRP 166 2 39.11 1 166 A LEU 167 2 43.91 1 167 A VAL 168 2 47.67 1 168 A GLU 169 2 48.45 1 169 A ASP 170 2 48.34 1 170 A TYR 171 2 39.41 1 171 A GLU 172 2 43.53 1 172 A ASP 173 2 40.07 1 173 A GLU 174 2 38.59 1 174 A GLU 175 2 33.68 1 175 A VAL 176 2 33.15 1 176 A ASN 177 2 29.36 1 177 A SER 178 2 33.19 1 178 A TRP 179 2 30.60 1 179 A ASP 180 2 33.02 1 180 A PHE 181 2 33.28 1 181 A ASP 182 2 32.56 1 182 A ILE 183 2 30.91 1 183 A ALA 184 2 32.64 1 184 A ASP 185 2 32.46 1 185 A ASP 186 2 33.47 1 186 A TRP 187 2 29.23 1 187 A ARG 188 2 29.68 1 188 A GLU 189 2 31.34 1 189 A LEU 190 2 29.94 1 190 # _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 ASN . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n HIS . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n TYR . 17 A 17 A 18 1 n LYS . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n ILE . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n VAL . 27 A 27 A 28 1 n GLY . 28 A 28 A 29 1 n ARG . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n ILE . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n MET . 34 A 34 A 35 1 n ALA . 35 A 35 A 36 1 n ILE . 36 A 36 A 37 1 n ASP . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n THR . 39 A 39 A 40 1 n HIS . 40 A 40 A 41 1 n GLY . 41 A 41 A 42 1 n GLU . 42 A 42 A 43 1 n PHE . 43 A 43 A 44 1 n ASN . 44 A 44 A 45 1 n ASP . 45 A 45 A 46 1 n LYS . 46 A 46 A 47 1 n ASN . 47 A 47 A 48 1 n PHE . 48 A 48 A 49 1 n ILE . 49 A 49 A 50 1 n ILE . 50 A 50 A 51 1 n TYR . 51 A 51 A 52 1 n ALA . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n THR . 54 A 54 A 55 1 n ASN . 55 A 55 A 56 1 n GLY . 56 A 56 A 57 1 n ASN . 57 A 57 A 58 1 n PRO . 58 A 58 A 59 1 n ILE . 59 A 59 A 60 1 n TYR . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n GLY . 62 A 62 A 63 1 n TYR . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n TYR . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n ASP . 67 A 67 A 68 1 n ASP . 68 A 68 A 69 1 n ASN . 69 A 69 A 70 1 n ASN . 70 A 70 A 71 1 n ASP . 71 A 71 A 72 1 n ALA . 72 A 72 A 73 1 n HIS . 73 A 73 A 74 1 n ILE . 74 A 74 A 75 1 n ASP . 75 A 75 A 76 1 n LEU . 76 A 76 A 77 1 n ALA . 77 A 77 A 78 1 n VAL . 78 A 78 A 79 1 n GLY . 79 A 79 A 80 1 n ALA . 80 A 80 A 81 1 n CYS . 81 A 81 A 82 1 n ASN . 82 A 82 A 83 1 n GLU . 83 A 83 A 84 1 n ASP . 84 A 84 A 85 1 n ASP . 85 A 85 A 86 1 n ASP . 86 A 86 A 87 1 n PHE . 87 A 87 A 88 1 n ASP . 88 A 88 A 89 1 n GLU . 89 A 89 A 90 1 n LYS . 90 A 90 A 91 1 n GLU . 91 A 91 A 92 1 n ILE . 92 A 92 A 93 1 n HIS . 93 A 93 A 94 1 n GLU . 94 A 94 A 95 1 n MET . 95 A 95 A 96 1 n ILE . 96 A 96 A 97 1 n ALA . 97 A 97 A 98 1 n GLU . 98 A 98 A 99 1 n GLN . 99 A 99 A 100 1 n MET . 100 A 100 A 101 1 n GLU . 101 A 101 A 102 1 n LEU . 102 A 102 A 103 1 n ALA . 103 A 103 A 104 1 n LYS . 104 A 104 A 105 1 n ARG . 105 A 105 A 106 1 n TYR . 106 A 106 A 107 1 n GLN . 107 A 107 A 108 1 n GLU . 108 A 108 A 109 1 n LEU . 109 A 109 A 110 1 n GLY . 110 A 110 A 111 1 n ASP . 111 A 111 A 112 1 n THR . 112 A 112 A 113 1 n VAL . 113 A 113 A 114 1 n HIS . 114 A 114 A 115 1 n GLY . 115 A 115 A 116 1 n THR . 116 A 116 A 117 1 n THR . 117 A 117 A 118 1 n ARG . 118 A 118 A 119 1 n LEU . 119 A 119 A 120 1 n ALA . 120 A 120 A 121 1 n PHE . 121 A 121 A 122 1 n ASP . 122 A 122 A 123 1 n ASP . 123 A 123 A 124 1 n ASP . 124 A 124 A 125 1 n GLY . 125 A 125 A 126 1 n TYR . 126 A 126 A 127 1 n MET . 127 A 127 A 128 1 n THR . 128 A 128 A 129 1 n VAL . 129 A 129 A 130 1 n ARG . 130 A 130 A 131 1 n LEU . 131 A 131 A 132 1 n ASP . 132 A 132 A 133 1 n GLN . 133 A 133 A 134 1 n GLN . 134 A 134 A 135 1 n ALA . 135 A 135 A 136 1 n TYR . 136 A 136 A 137 1 n PRO . 137 A 137 A 138 1 n ASP . 138 A 138 A 139 1 n TYR . 139 A 139 A 140 1 n ARG . 140 A 140 A 141 1 n PRO . 141 A 141 A 142 1 n GLU . 142 A 142 A 143 1 n ASN . 143 A 143 A 144 1 n ASP . 144 A 144 A 145 1 n ASP . 145 A 145 A 146 1 n LYS . 146 A 146 A 147 1 n HIS . 147 A 147 A 148 1 n ILE . 148 A 148 A 149 1 n MET . 149 A 149 A 150 1 n TRP . 150 A 150 A 151 1 n ARG . 151 A 151 A 152 1 n ALA . 152 A 152 A 153 1 n LEU . 153 A 153 A 154 1 n ALA . 154 A 154 A 155 1 n LEU . 155 A 155 A 156 1 n THR . 156 A 156 A 157 1 n ALA . 157 A 157 A 158 1 n THR . 158 A 158 A 159 1 n GLY . 159 A 159 A 160 1 n LYS . 160 A 160 A 161 1 n GLU . 161 A 161 A 162 1 n LEU . 162 A 162 A 163 1 n GLU . 163 A 163 A 164 1 n VAL . 164 A 164 A 165 1 n PHE . 165 A 165 A 166 1 n TRP . 166 A 166 A 167 1 n LEU . 167 A 167 A 168 1 n VAL . 168 A 168 A 169 1 n GLU . 169 A 169 A 170 1 n ASP . 170 A 170 A 171 1 n TYR . 171 A 171 A 172 1 n GLU . 172 A 172 A 173 1 n ASP . 173 A 173 A 174 1 n GLU . 174 A 174 A 175 1 n GLU . 175 A 175 A 176 1 n VAL . 176 A 176 A 177 1 n ASN . 177 A 177 A 178 1 n SER . 178 A 178 A 179 1 n TRP . 179 A 179 A 180 1 n ASP . 180 A 180 A 181 1 n PHE . 181 A 181 A 182 1 n ASP . 182 A 182 A 183 1 n ILE . 183 A 183 A 184 1 n ALA . 184 A 184 A 185 1 n ASP . 185 A 185 A 186 1 n ASP . 186 A 186 A 187 1 n TRP . 187 A 187 A 188 1 n ARG . 188 A 188 A 189 1 n GLU . 189 A 189 A 190 1 n LEU . 190 A 190 # _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 ? -23.244 28.511 -11.345 1.00 25.05 1 A 1 ATOM 2 C CA . MET A 1 1 ? -23.086 27.437 -12.349 1.00 30.15 1 A 1 ATOM 3 C C . MET A 1 1 ? -21.614 27.384 -12.729 1.00 31.95 1 A 1 ATOM 4 O O . MET A 1 1 ? -21.181 28.233 -13.499 1.00 31.42 1 A 1 ATOM 5 C CB . MET A 1 1 ? -23.950 27.681 -13.603 1.00 29.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? -25.422 27.312 -13.399 1.00 26.24 1 A 1 ATOM 7 S SD . MET A 1 1 ? -26.457 27.688 -14.851 1.00 24.72 1 A 1 ATOM 8 C CE . MET A 1 1 ? -28.053 27.015 -14.298 1.00 22.24 1 A 1 ATOM 9 N N . ASN A 1 2 ? -20.861 26.483 -12.138 1.00 28.29 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -19.443 26.319 -12.463 1.00 30.20 2 A 1 ATOM 11 C C . ASN A 1 2 ? -19.328 25.469 -13.731 1.00 30.14 2 A 1 ATOM 12 O O . ASN A 1 2 ? -19.762 24.319 -13.761 1.00 29.07 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -18.680 25.737 -11.259 1.00 29.78 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -18.442 26.772 -10.164 1.00 26.86 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -18.732 27.950 -10.326 1.00 25.14 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -17.941 26.366 -9.024 1.00 24.44 2 A 1 ATOM 17 N N . ASN A 1 3 ? -18.809 26.064 -14.809 1.00 27.58 3 A 1 ATOM 18 C CA . ASN A 1 3 ? -18.533 25.370 -16.062 1.00 29.31 3 A 1 ATOM 19 C C . ASN A 1 3 ? -17.272 24.505 -15.901 1.00 29.26 3 A 1 ATOM 20 O O . ASN A 1 3 ? -16.166 24.942 -16.209 1.00 28.04 3 A 1 ATOM 21 C CB . ASN A 1 3 ? -18.376 26.404 -17.198 1.00 28.39 3 A 1 ATOM 22 C CG . ASN A 1 3 ? -19.681 26.828 -17.842 1.00 25.94 3 A 1 ATOM 23 O OD1 . ASN A 1 3 ? -20.660 26.111 -17.892 1.00 24.47 3 A 1 ATOM 24 N ND2 . ASN A 1 3 ? -19.723 28.006 -18.420 1.00 23.78 3 A 1 ATOM 25 N N . LEU A 1 4 ? -17.450 23.282 -15.445 1.00 25.18 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -16.392 22.278 -15.418 1.00 25.47 4 A 1 ATOM 27 C C . LEU A 1 4 ? -16.094 21.822 -16.854 1.00 26.18 4 A 1 ATOM 28 O O . LEU A 1 4 ? -16.915 21.167 -17.502 1.00 25.57 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -16.825 21.115 -14.504 1.00 24.24 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -16.895 21.493 -13.009 1.00 22.30 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -17.712 20.459 -12.236 1.00 20.33 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -15.499 21.580 -12.392 1.00 20.75 4 A 1 ATOM 33 N N . LYS A 1 5 ? -14.931 22.203 -17.383 1.00 27.13 5 A 1 ATOM 34 C CA . LYS A 1 5 ? -14.444 21.695 -18.672 1.00 27.76 5 A 1 ATOM 35 C C . LYS A 1 5 ? -13.847 20.302 -18.469 1.00 28.20 5 A 1 ATOM 36 O O . LYS A 1 5 ? -12.724 20.165 -17.990 1.00 27.66 5 A 1 ATOM 37 C CB . LYS A 1 5 ? -13.417 22.649 -19.300 1.00 27.40 5 A 1 ATOM 38 C CG . LYS A 1 5 ? -14.077 23.742 -20.153 1.00 25.36 5 A 1 ATOM 39 C CD . LYS A 1 5 ? -12.993 24.593 -20.820 1.00 24.25 5 A 1 ATOM 40 C CE . LYS A 1 5 ? -13.605 25.644 -21.740 1.00 22.21 5 A 1 ATOM 41 N NZ . LYS A 1 5 ? -12.550 26.506 -22.326 1.00 21.28 5 A 1 ATOM 42 N N . LYS A 1 6 ? -14.587 19.278 -18.895 1.00 26.56 6 A 1 ATOM 43 C CA . LYS A 1 6 ? -14.080 17.906 -18.987 1.00 27.05 6 A 1 ATOM 44 C C . LYS A 1 6 ? -13.060 17.820 -20.125 1.00 27.28 6 A 1 ATOM 45 O O . LYS A 1 6 ? -13.400 18.106 -21.271 1.00 26.84 6 A 1 ATOM 46 C CB . LYS A 1 6 ? -15.238 16.909 -19.185 1.00 26.56 6 A 1 ATOM 47 C CG . LYS A 1 6 ? -16.168 16.843 -17.961 1.00 24.68 6 A 1 ATOM 48 C CD . LYS A 1 6 ? -17.243 15.752 -18.111 1.00 23.66 6 A 1 ATOM 49 C CE . LYS A 1 6 ? -18.105 15.689 -16.837 1.00 22.12 6 A 1 ATOM 50 N NZ . LYS A 1 6 ? -19.058 14.548 -16.838 1.00 20.84 6 A 1 ATOM 51 N N . THR A 1 7 ? -11.840 17.433 -19.815 1.00 26.82 7 A 1 ATOM 52 C CA . THR A 1 7 ? -10.825 17.090 -20.819 1.00 27.05 7 A 1 ATOM 53 C C . THR A 1 7 ? -10.490 15.615 -20.639 1.00 27.25 7 A 1 ATOM 54 O O . THR A 1 7 ? -10.034 15.226 -19.568 1.00 26.51 7 A 1 ATOM 55 C CB . THR A 1 7 ? -9.570 17.968 -20.703 1.00 25.84 7 A 1 ATOM 56 O OG1 . THR A 1 7 ? -9.936 19.332 -20.667 1.00 23.86 7 A 1 ATOM 57 C CG2 . THR A 1 7 ? -8.645 17.795 -21.907 1.00 23.61 7 A 1 ATOM 58 N N . ALA A 1 8 ? -10.784 14.807 -21.658 1.00 26.82 8 A 1 ATOM 59 C CA . ALA A 1 8 ? -10.418 13.398 -21.672 1.00 27.02 8 A 1 ATOM 60 C C . ALA A 1 8 ? -9.025 13.254 -22.293 1.00 27.57 8 A 1 ATOM 61 O O . ALA A 1 8 ? -8.775 13.783 -23.376 1.00 26.79 8 A 1 ATOM 62 C CB . ALA A 1 8 ? -11.488 12.608 -22.438 1.00 25.64 8 A 1 ATOM 63 N N . ILE A 1 9 ? -8.137 12.559 -21.606 1.00 25.67 9 A 1 ATOM 64 C CA . ILE A 1 9 ? -6.861 12.107 -22.165 1.00 25.55 9 A 1 ATOM 65 C C . ILE A 1 9 ? -7.003 10.600 -22.387 1.00 25.79 9 A 1 ATOM 66 O O . ILE A 1 9 ? -7.334 9.863 -21.460 1.00 25.06 9 A 1 ATOM 67 C CB . ILE A 1 9 ? -5.670 12.480 -21.258 1.00 24.68 9 A 1 ATOM 68 C CG1 . ILE A 1 9 ? -5.634 14.012 -21.014 1.00 22.85 9 A 1 ATOM 69 C CG2 . ILE A 1 9 ? -4.355 11.997 -21.905 1.00 23.15 9 A 1 ATOM 70 C CD1 . ILE A 1 9 ? -4.543 14.478 -20.046 1.00 21.69 9 A 1 ATOM 71 N N . THR A 1 10 ? -6.808 10.164 -23.635 1.00 25.57 10 A 1 ATOM 72 C CA . THR A 1 10 ? -6.897 8.753 -24.022 1.00 25.39 10 A 1 ATOM 73 C C . THR A 1 10 ? -5.524 8.260 -24.448 1.00 25.77 10 A 1 ATOM 74 O O . THR A 1 10 ? -4.924 8.841 -25.356 1.00 24.70 10 A 1 ATOM 75 C CB . THR A 1 10 ? -7.901 8.538 -25.167 1.00 24.04 10 A 1 ATOM 76 O OG1 . THR A 1 10 ? -7.636 9.413 -26.239 1.00 22.19 10 A 1 ATOM 77 C CG2 . THR A 1 10 ? -9.341 8.793 -24.725 1.00 21.90 10 A 1 ATOM 78 N N . HIS A 1 11 ? -5.057 7.172 -23.842 1.00 24.85 11 A 1 ATOM 79 C CA . HIS A 1 11 ? -3.933 6.392 -24.356 1.00 25.29 11 A 1 ATOM 80 C C . HIS A 1 11 ? -4.242 4.906 -24.139 1.00 25.76 11 A 1 ATOM 81 O O . HIS A 1 11 ? -4.639 4.526 -23.041 1.00 24.74 11 A 1 ATOM 82 C CB . HIS A 1 11 ? -2.624 6.822 -23.683 1.00 23.66 11 A 1 ATOM 83 C CG . HIS A 1 11 ? -1.404 6.353 -24.443 1.00 21.76 11 A 1 ATOM 84 N ND1 . HIS A 1 11 ? -1.125 6.636 -25.763 1.00 19.91 11 A 1 ATOM 85 C CD2 . HIS A 1 11 ? -0.373 5.594 -23.970 1.00 19.91 11 A 1 ATOM 86 C CE1 . HIS A 1 11 ? 0.044 6.049 -26.079 1.00 18.49 11 A 1 ATOM 87 N NE2 . HIS A 1 11 ? 0.548 5.414 -25.013 1.00 18.91 11 A 1 ATOM 88 N N . ASP A 1 12 ? -4.176 4.110 -25.211 1.00 26.37 12 A 1 ATOM 89 C CA . ASP A 1 12 ? -4.385 2.650 -25.208 1.00 26.53 12 A 1 ATOM 90 C C . ASP A 1 12 ? -5.596 2.132 -24.397 1.00 26.67 12 A 1 ATOM 91 O O . ASP A 1 12 ? -5.540 1.120 -23.707 1.00 25.92 12 A 1 ATOM 92 C CB . ASP A 1 12 ? -3.057 1.934 -24.912 1.00 25.31 12 A 1 ATOM 93 C CG . ASP A 1 12 ? -2.017 2.165 -26.018 1.00 23.29 12 A 1 ATOM 94 O OD1 . ASP A 1 12 ? -2.426 2.507 -27.157 1.00 21.65 12 A 1 ATOM 95 O OD2 . ASP A 1 12 ? -0.813 2.033 -25.728 1.00 21.36 12 A 1 ATOM 96 N N . GLY A 1 13 ? -6.729 2.813 -24.509 1.00 22.84 13 A 1 ATOM 97 C CA . GLY A 1 13 ? -8.000 2.371 -23.910 1.00 23.01 13 A 1 ATOM 98 C C . GLY A 1 13 ? -8.234 2.789 -22.454 1.00 24.09 13 A 1 ATOM 99 O O . GLY A 1 13 ? -9.298 2.478 -21.919 1.00 23.11 13 A 1 ATOM 100 N N . VAL A 1 14 ? -7.317 3.531 -21.840 1.00 24.39 14 A 1 ATOM 101 C CA . VAL A 1 14 ? -7.498 4.108 -20.498 1.00 24.04 14 A 1 ATOM 102 C C . VAL A 1 14 ? -8.054 5.533 -20.615 1.00 24.62 14 A 1 ATOM 103 O O . VAL A 1 14 ? -7.540 6.359 -21.372 1.00 23.88 14 A 1 ATOM 104 C CB . VAL A 1 14 ? -6.190 4.058 -19.684 1.00 23.01 14 A 1 ATOM 105 C CG1 . VAL A 1 14 ? -6.404 4.565 -18.253 1.00 20.89 14 A 1 ATOM 106 C CG2 . VAL A 1 14 ? -5.656 2.617 -19.595 1.00 20.91 14 A 1 ATOM 107 N N . PHE A 1 15 ? -9.127 5.816 -19.867 1.00 23.70 15 A 1 ATOM 108 C CA . PHE A 1 15 ? -9.782 7.124 -19.815 1.00 23.40 15 A 1 ATOM 109 C C . PHE A 1 15 ? -9.482 7.791 -18.472 1.00 24.08 15 A 1 ATOM 110 O O . PHE A 1 15 ? -9.868 7.274 -17.429 1.00 23.29 15 A 1 ATOM 111 C CB . PHE A 1 15 ? -11.298 6.976 -20.019 1.00 22.45 15 A 1 ATOM 112 C CG . PHE A 1 15 ? -11.706 6.438 -21.379 1.00 20.73 15 A 1 ATOM 113 C CD1 . PHE A 1 15 ? -11.931 7.319 -22.454 1.00 19.19 15 A 1 ATOM 114 C CD2 . PHE A 1 15 ? -11.854 5.053 -21.573 1.00 19.00 15 A 1 ATOM 115 C CE1 . PHE A 1 15 ? -12.297 6.818 -23.713 1.00 18.16 15 A 1 ATOM 116 C CE2 . PHE A 1 15 ? -12.215 4.554 -22.834 1.00 18.62 15 A 1 ATOM 117 C CZ . PHE A 1 15 ? -12.438 5.435 -23.904 1.00 18.27 15 A 1 ATOM 118 N N . ALA A 1 16 ? -8.856 8.968 -18.502 1.00 28.08 16 A 1 ATOM 119 C CA . ALA A 1 16 ? -8.707 9.823 -17.330 1.00 28.36 16 A 1 ATOM 120 C C . ALA A 1 16 ? -9.561 11.090 -17.500 1.00 28.63 16 A 1 ATOM 121 O O . ALA A 1 16 ? -9.499 11.766 -18.534 1.00 27.72 16 A 1 ATOM 122 C CB . ALA A 1 16 ? -7.225 10.123 -17.102 1.00 27.53 16 A 1 ATOM 123 N N . TYR A 1 17 ? -10.362 11.420 -16.485 1.00 28.23 17 A 1 ATOM 124 C CA . TYR A 1 17 ? -11.181 12.631 -16.459 1.00 28.30 17 A 1 ATOM 125 C C . TYR A 1 17 ? -10.548 13.661 -15.526 1.00 28.56 17 A 1 ATOM 126 O O . TYR A 1 17 ? -10.376 13.424 -14.336 1.00 27.46 17 A 1 ATOM 127 C CB . TYR A 1 17 ? -12.625 12.306 -16.052 1.00 27.25 17 A 1 ATOM 128 C CG . TYR A 1 17 ? -13.366 11.443 -17.061 1.00 25.47 17 A 1 ATOM 129 C CD1 . TYR A 1 17 ? -13.999 12.038 -18.171 1.00 23.71 17 A 1 ATOM 130 C CD2 . TYR A 1 17 ? -13.407 10.045 -16.898 1.00 23.68 17 A 1 ATOM 131 C CE1 . TYR A 1 17 ? -14.678 11.240 -19.114 1.00 22.05 17 A 1 ATOM 132 C CE2 . TYR A 1 17 ? -14.079 9.245 -17.840 1.00 22.29 17 A 1 ATOM 133 C CZ . TYR A 1 17 ? -14.718 9.843 -18.947 1.00 21.81 17 A 1 ATOM 134 O OH . TYR A 1 17 ? -15.373 9.068 -19.853 1.00 20.38 17 A 1 ATOM 135 N N . LYS A 1 18 ? -10.231 14.842 -16.066 1.00 29.58 18 A 1 ATOM 136 C CA . LYS A 1 18 ? -9.761 15.990 -15.282 1.00 29.67 18 A 1 ATOM 137 C C . LYS A 1 18 ? -10.957 16.818 -14.823 1.00 29.66 18 A 1 ATOM 138 O O . LYS A 1 18 ? -11.752 17.244 -15.661 1.00 28.78 18 A 1 ATOM 139 C CB . LYS A 1 18 ? -8.779 16.806 -16.137 1.00 28.76 18 A 1 ATOM 140 C CG . LYS A 1 18 ? -8.181 17.978 -15.357 1.00 26.90 18 A 1 ATOM 141 C CD . LYS A 1 18 ? -7.213 18.795 -16.220 1.00 25.70 18 A 1 ATOM 142 C CE . LYS A 1 18 ? -6.707 19.961 -15.377 1.00 24.35 18 A 1 ATOM 143 N NZ . LYS A 1 18 ? -5.754 20.816 -16.114 1.00 22.91 18 A 1 ATOM 144 N N . ASN A 1 19 ? -11.047 17.107 -13.522 1.00 29.52 19 A 1 ATOM 145 C CA . ASN A 1 19 ? -12.112 17.947 -12.954 1.00 29.96 19 A 1 ATOM 146 C C . ASN A 1 19 ? -11.609 19.121 -12.087 1.00 30.05 19 A 1 ATOM 147 O O . ASN A 1 19 ? -12.370 19.664 -11.299 1.00 28.95 19 A 1 ATOM 148 C CB . ASN A 1 19 ? -13.153 17.051 -12.250 1.00 28.68 19 A 1 ATOM 149 C CG . ASN A 1 19 ? -14.579 17.551 -12.440 1.00 26.85 19 A 1 ATOM 150 O OD1 . ASN A 1 19 ? -14.902 18.314 -13.344 1.00 25.42 19 A 1 ATOM 151 N ND2 . ASN A 1 19 ? -15.501 17.094 -11.623 1.00 25.30 19 A 1 ATOM 152 N N . THR A 1 20 ? -10.355 19.552 -12.231 1.00 28.21 20 A 1 ATOM 153 C CA . THR A 1 20 ? -9.816 20.753 -11.562 1.00 28.35 20 A 1 ATOM 154 C C . THR A 1 20 ? -8.934 21.576 -12.511 1.00 28.34 20 A 1 ATOM 155 O O . THR A 1 20 ? -8.406 21.069 -13.508 1.00 27.37 20 A 1 ATOM 156 C CB . THR A 1 20 ? -9.062 20.405 -10.263 1.00 26.84 20 A 1 ATOM 157 O OG1 . THR A 1 20 ? -8.010 19.521 -10.549 1.00 24.96 20 A 1 ATOM 158 C CG2 . THR A 1 20 ? -9.950 19.739 -9.213 1.00 24.64 20 A 1 ATOM 159 N N . GLU A 1 21 ? -8.801 22.894 -12.245 1.00 25.39 21 A 1 ATOM 160 C CA . GLU A 1 21 ? -7.969 23.810 -13.052 1.00 25.29 21 A 1 ATOM 161 C C . GLU A 1 21 ? -6.461 23.583 -12.837 1.00 25.79 21 A 1 ATOM 162 O O . GLU A 1 21 ? -5.646 24.030 -13.650 1.00 24.99 21 A 1 ATOM 163 C CB . GLU A 1 21 ? -8.361 25.281 -12.802 1.00 23.86 21 A 1 ATOM 164 C CG . GLU A 1 21 ? -9.732 25.630 -13.415 1.00 21.72 21 A 1 ATOM 165 C CD . GLU A 1 21 ? -10.026 27.144 -13.462 1.00 20.42 21 A 1 ATOM 166 O OE1 . GLU A 1 21 ? -10.791 27.546 -14.376 1.00 18.66 21 A 1 ATOM 167 O OE2 . GLU A 1 21 ? -9.478 27.897 -12.630 1.00 19.41 21 A 1 ATOM 168 N N . THR A 1 22 ? -6.090 22.839 -11.809 1.00 26.37 22 A 1 ATOM 169 C CA . THR A 1 22 ? -4.702 22.519 -11.468 1.00 26.18 22 A 1 ATOM 170 C C . THR A 1 22 ? -4.153 21.426 -12.391 1.00 26.49 22 A 1 ATOM 171 O O . THR A 1 22 ? -4.723 20.347 -12.533 1.00 25.57 22 A 1 ATOM 172 C CB . THR A 1 22 ? -4.576 22.136 -9.986 1.00 24.99 22 A 1 ATOM 173 O OG1 . THR A 1 22 ? -5.382 23.005 -9.217 1.00 23.12 22 A 1 ATOM 174 C CG2 . THR A 1 22 ? -3.140 22.301 -9.487 1.00 22.60 22 A 1 ATOM 175 N N . VAL A 1 23 ? -3.056 21.728 -13.078 1.00 23.37 23 A 1 ATOM 176 C CA . VAL A 1 23 ? -2.345 20.760 -13.924 1.00 23.10 23 A 1 ATOM 177 C C . VAL A 1 23 ? -1.564 19.818 -13.010 1.00 23.78 23 A 1 ATOM 178 O O . VAL A 1 23 ? -0.517 20.189 -12.499 1.00 22.86 23 A 1 ATOM 179 C CB . VAL A 1 23 ? -1.423 21.472 -14.938 1.00 21.65 23 A 1 ATOM 180 C CG1 . VAL A 1 23 ? -0.636 20.486 -15.812 1.00 19.44 23 A 1 ATOM 181 C CG2 . VAL A 1 23 ? -2.231 22.373 -15.885 1.00 19.32 23 A 1 ATOM 182 N N . ILE A 1 24 ? -2.084 18.605 -12.820 1.00 28.54 24 A 1 ATOM 183 C CA . ILE A 1 24 ? -1.254 17.483 -12.362 1.00 28.33 24 A 1 ATOM 184 C C . ILE A 1 24 ? -0.374 17.109 -13.561 1.00 28.15 24 A 1 ATOM 185 O O . ILE A 1 24 ? -0.867 17.052 -14.691 1.00 27.74 24 A 1 ATOM 186 C CB . ILE A 1 24 ? -2.121 16.326 -11.804 1.00 27.82 24 A 1 ATOM 187 C CG1 . ILE A 1 24 ? -3.070 16.856 -10.693 1.00 26.38 24 A 1 ATOM 188 C CG2 . ILE A 1 24 ? -1.213 15.208 -11.266 1.00 26.52 24 A 1 ATOM 189 C CD1 . ILE A 1 24 ? -4.022 15.802 -10.104 1.00 25.58 24 A 1 ATOM 190 N N . GLY A 1 25 ? 0.928 17.033 -13.334 1.00 28.48 25 A 1 ATOM 191 C CA . GLY A 1 25 ? 1.975 17.073 -14.354 1.00 28.50 25 A 1 ATOM 192 C C . GLY A 1 25 ? 1.797 16.116 -15.541 1.00 28.59 25 A 1 ATOM 193 O O . GLY A 1 25 ? 0.987 15.195 -15.526 1.00 27.63 25 A 1 ATOM 194 N N . SER A 1 26 ? 2.581 16.364 -16.594 1.00 25.11 26 A 1 ATOM 195 C CA . SER A 1 26 ? 2.583 15.554 -17.814 1.00 24.96 26 A 1 ATOM 196 C C . SER A 1 26 ? 2.874 14.089 -17.494 1.00 25.49 26 A 1 ATOM 197 O O . SER A 1 26 ? 3.975 13.775 -17.045 1.00 24.26 26 A 1 ATOM 198 C CB . SER A 1 26 ? 3.642 16.082 -18.781 1.00 23.29 26 A 1 ATOM 199 O OG . SER A 1 26 ? 4.894 16.206 -18.137 1.00 21.41 26 A 1 ATOM 200 N N . VAL A 1 27 ? 1.901 13.228 -17.776 1.00 28.08 27 A 1 ATOM 201 C CA . VAL A 1 27 ? 2.026 11.775 -17.666 1.00 28.06 27 A 1 ATOM 202 C C . VAL A 1 27 ? 2.984 11.290 -18.755 1.00 27.93 27 A 1 ATOM 203 O O . VAL A 1 27 ? 2.766 11.550 -19.947 1.00 27.32 27 A 1 ATOM 204 C CB . VAL A 1 27 ? 0.638 11.116 -17.776 1.00 27.08 27 A 1 ATOM 205 C CG1 . VAL A 1 27 ? 0.715 9.615 -17.517 1.00 25.39 27 A 1 ATOM 206 C CG2 . VAL A 1 27 ? -0.364 11.719 -16.774 1.00 25.33 27 A 1 ATOM 207 N N . GLY A 1 28 ? 4.071 10.661 -18.364 1.00 27.23 28 A 1 ATOM 208 C CA . GLY A 1 28 ? 5.053 10.054 -19.250 1.00 27.33 28 A 1 ATOM 209 C C . GLY A 1 28 ? 4.566 8.718 -19.815 1.00 27.64 28 A 1 ATOM 210 O O . GLY A 1 28 ? 3.588 8.126 -19.369 1.00 26.36 28 A 1 ATOM 211 N N . ARG A 1 29 ? 5.262 8.216 -20.835 1.00 23.48 29 A 1 ATOM 212 C CA . ARG A 1 29 ? 4.849 7.042 -21.627 1.00 23.75 29 A 1 ATOM 213 C C . ARG A 1 29 ? 4.778 5.712 -20.851 1.00 24.52 29 A 1 ATOM 214 O O . ARG A 1 29 ? 4.289 4.742 -21.409 1.00 23.71 29 A 1 ATOM 215 C CB . ARG A 1 29 ? 5.786 6.921 -22.843 1.00 21.89 29 A 1 ATOM 216 C CG . ARG A 1 29 ? 5.014 6.773 -24.155 1.00 19.83 29 A 1 ATOM 217 C CD . ARG A 1 29 ? 5.996 6.665 -25.319 1.00 18.45 29 A 1 ATOM 218 N NE . ARG A 1 29 ? 5.301 6.693 -26.617 1.00 17.04 29 A 1 ATOM 219 C CZ . ARG A 1 29 ? 5.864 6.555 -27.803 1.00 16.18 29 A 1 ATOM 220 N NH1 . ARG A 1 29 ? 7.150 6.367 -27.934 1.00 16.21 29 A 1 ATOM 221 N NH2 . ARG A 1 29 ? 5.141 6.605 -28.885 1.00 15.92 29 A 1 ATOM 222 N N . ASN A 1 30 ? 5.296 5.677 -19.626 1.00 26.67 30 A 1 ATOM 223 C CA . ASN A 1 30 ? 5.359 4.495 -18.760 1.00 26.86 30 A 1 ATOM 224 C C . ASN A 1 30 ? 4.636 4.696 -17.416 1.00 27.74 30 A 1 ATOM 225 O O . ASN A 1 30 ? 4.784 3.866 -16.526 1.00 26.99 30 A 1 ATOM 226 C CB . ASN A 1 30 ? 6.837 4.118 -18.539 1.00 24.95 30 A 1 ATOM 227 C CG . ASN A 1 30 ? 7.577 3.677 -19.787 1.00 22.62 30 A 1 ATOM 228 O OD1 . ASN A 1 30 ? 7.046 3.357 -20.836 1.00 20.76 30 A 1 ATOM 229 N ND2 . ASN A 1 30 ? 8.888 3.652 -19.719 1.00 20.54 30 A 1 ATOM 230 N N . ASP A 1 31 ? 3.885 5.785 -17.254 1.00 29.75 31 A 1 ATOM 231 C CA . ASP A 1 31 ? 3.201 6.078 -16.001 1.00 30.29 31 A 1 ATOM 232 C C . ASP A 1 31 ? 1.874 5.312 -15.945 1.00 30.23 31 A 1 ATOM 233 O O . ASP A 1 31 ? 1.038 5.413 -16.851 1.00 29.52 31 A 1 ATOM 234 C CB . ASP A 1 31 ? 2.991 7.593 -15.841 1.00 29.60 31 A 1 ATOM 235 C CG . ASP A 1 31 ? 4.290 8.420 -15.829 1.00 28.04 31 A 1 ATOM 236 O OD1 . ASP A 1 31 ? 5.385 7.853 -15.632 1.00 26.15 31 A 1 ATOM 237 O OD2 . ASP A 1 31 ? 4.190 9.636 -16.111 1.00 26.23 31 A 1 ATOM 238 N N . ILE A 1 32 ? 1.675 4.531 -14.883 1.00 27.39 32 A 1 ATOM 239 C CA . ILE A 1 32 ? 0.402 3.850 -14.621 1.00 27.05 32 A 1 ATOM 240 C C . ILE A 1 32 ? -0.553 4.882 -14.020 1.00 27.45 32 A 1 ATOM 241 O O . ILE A 1 32 ? -0.364 5.342 -12.898 1.00 26.77 32 A 1 ATOM 242 C CB . ILE A 1 32 ? 0.596 2.606 -13.721 1.00 25.79 32 A 1 ATOM 243 C CG1 . ILE A 1 32 ? 1.550 1.591 -14.404 1.00 23.89 32 A 1 ATOM 244 C CG2 . ILE A 1 32 ? -0.767 1.952 -13.421 1.00 23.60 32 A 1 ATOM 245 C CD1 . ILE A 1 32 ? 1.892 0.368 -13.543 1.00 22.44 32 A 1 ATOM 246 N N . VAL A 1 33 ? -1.583 5.251 -14.773 1.00 28.85 33 A 1 ATOM 247 C CA . VAL A 1 33 ? -2.665 6.113 -14.282 1.00 28.56 33 A 1 ATOM 248 C C . VAL A 1 33 ? -3.837 5.224 -13.898 1.00 28.56 33 A 1 ATOM 249 O O . VAL A 1 33 ? -4.529 4.696 -14.768 1.00 27.90 33 A 1 ATOM 250 C CB . VAL A 1 33 ? -3.071 7.179 -15.320 1.00 27.88 33 A 1 ATOM 251 C CG1 . VAL A 1 33 ? -4.161 8.112 -14.770 1.00 26.09 33 A 1 ATOM 252 C CG2 . VAL A 1 33 ? -1.877 8.051 -15.715 1.00 26.03 33 A 1 ATOM 253 N N . MET A 1 34 ? -4.086 5.070 -12.599 1.00 28.14 34 A 1 ATOM 254 C CA . MET A 1 34 ? -5.340 4.478 -12.131 1.00 28.28 34 A 1 ATOM 255 C C . MET A 1 34 ? -6.463 5.509 -12.260 1.00 28.52 34 A 1 ATOM 256 O O . MET A 1 34 ? -6.406 6.592 -11.679 1.00 27.72 34 A 1 ATOM 257 C CB . MET A 1 34 ? -5.208 3.937 -10.701 1.00 27.28 34 A 1 ATOM 258 C CG . MET A 1 34 ? -4.352 2.666 -10.664 1.00 25.00 34 A 1 ATOM 259 S SD . MET A 1 34 ? -4.457 1.738 -9.114 1.00 23.27 34 A 1 ATOM 260 C CE . MET A 1 34 ? -3.610 2.869 -7.979 1.00 22.02 34 A 1 ATOM 261 N N . ALA A 1 35 ? -7.478 5.186 -13.056 1.00 27.05 35 A 1 ATOM 262 C CA . ALA A 1 35 ? -8.684 5.993 -13.160 1.00 26.69 35 A 1 ATOM 263 C C . ALA A 1 35 ? -9.601 5.667 -11.974 1.00 27.12 35 A 1 ATOM 264 O O . ALA A 1 35 ? -10.084 4.544 -11.863 1.00 25.97 35 A 1 ATOM 265 C CB . ALA A 1 35 ? -9.350 5.730 -14.515 1.00 25.08 35 A 1 ATOM 266 N N . ILE A 1 36 ? -9.853 6.645 -11.117 1.00 29.84 36 A 1 ATOM 267 C CA . ILE A 1 36 ? -10.840 6.541 -10.035 1.00 29.47 36 A 1 ATOM 268 C C . ILE A 1 36 ? -12.177 7.054 -10.571 1.00 29.14 36 A 1 ATOM 269 O O . ILE A 1 36 ? -12.268 8.190 -11.048 1.00 28.24 36 A 1 ATOM 270 C CB . ILE A 1 36 ? -10.360 7.286 -8.765 1.00 28.67 36 A 1 ATOM 271 C CG1 . ILE A 1 36 ? -9.022 6.683 -8.269 1.00 26.99 36 A 1 ATOM 272 C CG2 . ILE A 1 36 ? -11.438 7.216 -7.667 1.00 26.78 36 A 1 ATOM 273 C CD1 . ILE A 1 36 ? -8.409 7.412 -7.073 1.00 25.91 36 A 1 ATOM 274 N N . ASP A 1 37 ? -13.213 6.215 -10.528 1.00 26.67 37 A 1 ATOM 275 C CA . ASP A 1 37 ? -14.587 6.627 -10.830 1.00 26.57 37 A 1 ATOM 276 C C . ASP A 1 37 ? -15.176 7.345 -9.612 1.00 26.79 37 A 1 ATOM 277 O O . ASP A 1 37 ? -15.706 6.750 -8.681 1.00 25.73 37 A 1 ATOM 278 C CB . ASP A 1 37 ? -15.445 5.446 -11.306 1.00 25.10 37 A 1 ATOM 279 C CG . ASP A 1 37 ? -16.802 5.896 -11.887 1.00 23.12 37 A 1 ATOM 280 O OD1 . ASP A 1 37 ? -17.113 7.113 -11.837 1.00 21.62 37 A 1 ATOM 281 O OD2 . ASP A 1 37 ? -17.516 5.031 -12.441 1.00 21.56 37 A 1 ATOM 282 N N . ALA A 1 38 ? -15.046 8.661 -9.626 1.00 28.78 38 A 1 ATOM 283 C CA . ALA A 1 38 ? -15.509 9.543 -8.573 1.00 28.76 38 A 1 ATOM 284 C C . ALA A 1 38 ? -16.999 9.884 -8.750 1.00 28.37 38 A 1 ATOM 285 O O . ALA A 1 38 ? -17.361 10.998 -9.140 1.00 27.12 38 A 1 ATOM 286 C CB . ALA A 1 38 ? -14.576 10.753 -8.598 1.00 27.27 38 A 1 ATOM 287 N N . THR A 1 39 ? -17.876 8.920 -8.525 1.00 26.35 39 A 1 ATOM 288 C CA . THR A 1 39 ? -19.326 9.107 -8.726 1.00 25.93 39 A 1 ATOM 289 C C . THR A 1 39 ? -20.077 9.710 -7.533 1.00 26.21 39 A 1 ATOM 290 O O . THR A 1 39 ? -21.224 10.118 -7.712 1.00 24.60 39 A 1 ATOM 291 C CB . THR A 1 39 ? -20.018 7.840 -9.264 1.00 23.71 39 A 1 ATOM 292 O OG1 . THR A 1 39 ? -19.328 6.650 -8.971 1.00 21.48 39 A 1 ATOM 293 C CG2 . THR A 1 39 ? -20.141 7.912 -10.787 1.00 21.02 39 A 1 ATOM 294 N N . HIS A 1 40 ? -19.467 9.856 -6.353 1.00 25.74 40 A 1 ATOM 295 C CA . HIS A 1 40 ? -20.136 10.391 -5.159 1.00 26.06 40 A 1 ATOM 296 C C . HIS A 1 40 ? -19.194 11.275 -4.317 1.00 26.77 40 A 1 ATOM 297 O O . HIS A 1 40 ? -18.214 10.781 -3.783 1.00 25.77 40 A 1 ATOM 298 C CB . HIS A 1 40 ? -20.709 9.219 -4.334 1.00 23.93 40 A 1 ATOM 299 C CG . HIS A 1 40 ? -21.774 8.425 -5.072 1.00 21.73 40 A 1 ATOM 300 N ND1 . HIS A 1 40 ? -21.552 7.385 -5.938 1.00 19.76 40 A 1 ATOM 301 C CD2 . HIS A 1 40 ? -23.127 8.642 -5.055 1.00 19.56 40 A 1 ATOM 302 C CE1 . HIS A 1 40 ? -22.735 6.987 -6.441 1.00 18.28 40 A 1 ATOM 303 N NE2 . HIS A 1 40 ? -23.734 7.728 -5.930 1.00 18.69 40 A 1 ATOM 304 N N . GLY A 1 41 ? -19.507 12.576 -4.201 1.00 30.00 41 A 1 ATOM 305 C CA . GLY A 1 41 ? -18.849 13.507 -3.268 1.00 30.31 41 A 1 ATOM 306 C C . GLY A 1 41 ? -18.361 14.823 -3.890 1.00 30.82 41 A 1 ATOM 307 O O . GLY A 1 41 ? -17.942 14.875 -5.046 1.00 29.54 41 A 1 ATOM 308 N N . GLU A 1 42 ? -18.420 15.930 -3.133 1.00 31.85 42 A 1 ATOM 309 C CA . GLU A 1 42 ? -17.745 17.186 -3.487 1.00 32.20 42 A 1 ATOM 310 C C . GLU A 1 42 ? -16.256 17.082 -3.123 1.00 32.65 42 A 1 ATOM 311 O O . GLU A 1 42 ? -15.883 17.065 -1.950 1.00 31.83 42 A 1 ATOM 312 C CB . GLU A 1 42 ? -18.392 18.422 -2.820 1.00 31.13 42 A 1 ATOM 313 C CG . GLU A 1 42 ? -19.682 18.893 -3.519 1.00 28.61 42 A 1 ATOM 314 C CD . GLU A 1 42 ? -20.190 20.276 -3.050 1.00 26.84 42 A 1 ATOM 315 O OE1 . GLU A 1 42 ? -20.964 20.898 -3.821 1.00 24.90 42 A 1 ATOM 316 O OE2 . GLU A 1 42 ? -19.796 20.746 -1.965 1.00 25.77 42 A 1 ATOM 317 N N . PHE A 1 43 ? -15.397 17.031 -4.140 1.00 31.62 43 A 1 ATOM 318 C CA . PHE A 1 43 ? -13.950 16.932 -3.964 1.00 31.84 43 A 1 ATOM 319 C C . PHE A 1 43 ? -13.351 18.280 -3.567 1.00 31.96 43 A 1 ATOM 320 O O . PHE A 1 43 ? -13.555 19.292 -4.237 1.00 31.19 43 A 1 ATOM 321 C CB . PHE A 1 43 ? -13.295 16.403 -5.251 1.00 30.57 43 A 1 ATOM 322 C CG . PHE A 1 43 ? -13.754 15.000 -5.596 1.00 28.75 43 A 1 ATOM 323 C CD1 . PHE A 1 43 ? -13.112 13.895 -5.003 1.00 27.06 43 A 1 ATOM 324 C CD2 . PHE A 1 43 ? -14.894 14.812 -6.396 1.00 27.28 43 A 1 ATOM 325 C CE1 . PHE A 1 43 ? -13.642 12.608 -5.165 1.00 25.61 43 A 1 ATOM 326 C CE2 . PHE A 1 43 ? -15.428 13.518 -6.546 1.00 25.94 43 A 1 ATOM 327 C CZ . PHE A 1 43 ? -14.813 12.426 -5.910 1.00 25.80 43 A 1 ATOM 328 N N . ASN A 1 44 ? -12.548 18.280 -2.507 1.00 32.22 44 A 1 ATOM 329 C CA . ASN A 1 44 ? -11.680 19.387 -2.139 1.00 32.98 44 A 1 ATOM 330 C C . ASN A 1 44 ? -10.231 18.982 -2.440 1.00 33.41 44 A 1 ATOM 331 O O . ASN A 1 44 ? -9.818 17.874 -2.114 1.00 32.62 44 A 1 ATOM 332 C CB . ASN A 1 44 ? -11.932 19.738 -0.663 1.00 31.53 44 A 1 ATOM 333 C CG . ASN A 1 44 ? -11.282 21.029 -0.195 1.00 29.28 44 A 1 ATOM 334 O OD1 . ASN A 1 44 ? -10.350 21.577 -0.761 1.00 27.10 44 A 1 ATOM 335 N ND2 . ASN A 1 44 ? -11.762 21.571 0.898 1.00 27.14 44 A 1 ATOM 336 N N . ASP A 1 45 ? -9.453 19.897 -3.021 1.00 31.75 45 A 1 ATOM 337 C CA . ASP A 1 45 ? -8.050 19.695 -3.422 1.00 32.32 45 A 1 ATOM 338 C C . ASP A 1 45 ? -7.131 19.235 -2.267 1.00 32.98 45 A 1 ATOM 339 O O . ASP A 1 45 ? -6.015 18.780 -2.502 1.00 31.75 45 A 1 ATOM 340 C CB . ASP A 1 45 ? -7.507 21.011 -4.019 1.00 30.10 45 A 1 ATOM 341 C CG . ASP A 1 45 ? -8.231 21.526 -5.273 1.00 27.97 45 A 1 ATOM 342 O OD1 . ASP A 1 45 ? -8.895 20.722 -5.962 1.00 25.73 45 A 1 ATOM 343 O OD2 . ASP A 1 45 ? -8.096 22.741 -5.555 1.00 25.50 45 A 1 ATOM 344 N N . LYS A 1 46 ? -7.598 19.344 -1.022 1.00 31.18 46 A 1 ATOM 345 C CA . LYS A 1 46 ? -6.882 18.910 0.186 1.00 31.41 46 A 1 ATOM 346 C C . LYS A 1 46 ? -7.000 17.412 0.482 1.00 31.98 46 A 1 ATOM 347 O O . LYS A 1 46 ? -6.306 16.938 1.371 1.00 31.31 46 A 1 ATOM 348 C CB . LYS A 1 46 ? -7.386 19.715 1.386 1.00 29.48 46 A 1 ATOM 349 C CG . LYS A 1 46 ? -7.071 21.208 1.244 1.00 26.94 46 A 1 ATOM 350 C CD . LYS A 1 46 ? -7.486 21.924 2.522 1.00 25.58 46 A 1 ATOM 351 C CE . LYS A 1 46 ? -7.120 23.401 2.441 1.00 23.52 46 A 1 ATOM 352 N NZ . LYS A 1 46 ? -7.404 24.065 3.736 1.00 22.13 46 A 1 ATOM 353 N N . ASN A 1 47 ? -7.873 16.702 -0.221 1.00 33.52 47 A 1 ATOM 354 C CA . ASN A 1 47 ? -8.217 15.315 0.084 1.00 33.92 47 A 1 ATOM 355 C C . ASN A 1 47 ? -7.455 14.305 -0.784 1.00 34.59 47 A 1 ATOM 356 O O . ASN A 1 47 ? -7.665 13.112 -0.638 1.00 33.74 47 A 1 ATOM 357 C CB . ASN A 1 47 ? -9.740 15.140 -0.028 1.00 32.36 47 A 1 ATOM 358 C CG . ASN A 1 47 ? -10.546 15.914 1.003 1.00 30.30 47 A 1 ATOM 359 O OD1 . ASN A 1 47 ? -10.059 16.735 1.768 1.00 28.27 47 A 1 ATOM 360 N ND2 . ASN A 1 47 ? -11.838 15.706 1.026 1.00 28.26 47 A 1 ATOM 361 N N . PHE A 1 48 ? -6.577 14.758 -1.680 1.00 35.36 48 A 1 ATOM 362 C CA . PHE A 1 48 ? -5.736 13.885 -2.500 1.00 35.60 48 A 1 ATOM 363 C C . PHE A 1 48 ? -4.311 13.862 -1.965 1.00 35.99 48 A 1 ATOM 364 O O . PHE A 1 48 ? -3.660 14.908 -1.872 1.00 35.10 48 A 1 ATOM 365 C CB . PHE A 1 48 ? -5.760 14.331 -3.963 1.00 34.26 48 A 1 ATOM 366 C CG . PHE A 1 48 ? -7.079 14.056 -4.646 1.00 31.88 48 A 1 ATOM 367 C CD1 . PHE A 1 48 ? -7.328 12.789 -5.207 1.00 29.62 48 A 1 ATOM 368 C CD2 . PHE A 1 48 ? -8.066 15.056 -4.707 1.00 29.66 48 A 1 ATOM 369 C CE1 . PHE A 1 48 ? -8.555 12.527 -5.836 1.00 27.23 48 A 1 ATOM 370 C CE2 . PHE A 1 48 ? -9.296 14.790 -5.334 1.00 27.60 48 A 1 ATOM 371 C CZ . PHE A 1 48 ? -9.539 13.525 -5.903 1.00 27.26 48 A 1 ATOM 372 N N . ILE A 1 49 ? -3.808 12.673 -1.685 1.00 36.82 49 A 1 ATOM 373 C CA . ILE A 1 49 ? -2.422 12.455 -1.288 1.00 37.03 49 A 1 ATOM 374 C C . ILE A 1 49 ? -1.748 11.677 -2.415 1.00 36.96 49 A 1 ATOM 375 O O . ILE A 1 49 ? -2.078 10.526 -2.690 1.00 35.88 49 A 1 ATOM 376 C CB . ILE A 1 49 ? -2.321 11.768 0.091 1.00 35.87 49 A 1 ATOM 377 C CG1 . ILE A 1 49 ? -3.208 12.468 1.155 1.00 33.38 49 A 1 ATOM 378 C CG2 . ILE A 1 49 ? -0.844 11.817 0.522 1.00 32.77 49 A 1 ATOM 379 C CD1 . ILE A 1 49 ? -3.150 11.829 2.548 1.00 31.49 49 A 1 ATOM 380 N N . ILE A 1 50 ? -0.827 12.340 -3.104 1.00 38.01 50 A 1 ATOM 381 C CA . ILE A 1 50 ? -0.035 11.746 -4.184 1.00 37.86 50 A 1 ATOM 382 C C . ILE A 1 50 ? 1.383 11.563 -3.659 1.00 37.80 50 A 1 ATOM 383 O O . ILE A 1 50 ? 2.076 12.545 -3.378 1.00 36.61 50 A 1 ATOM 384 C CB . ILE A 1 50 ? -0.073 12.597 -5.474 1.00 36.32 50 A 1 ATOM 385 C CG1 . ILE A 1 50 ? -1.529 12.825 -5.947 1.00 33.23 50 A 1 ATOM 386 C CG2 . ILE A 1 50 ? 0.760 11.904 -6.572 1.00 32.30 50 A 1 ATOM 387 C CD1 . ILE A 1 50 ? -1.666 13.740 -7.167 1.00 31.07 50 A 1 ATOM 388 N N . TYR A 1 51 ? 1.823 10.315 -3.552 1.00 38.04 51 A 1 ATOM 389 C CA . TYR A 1 51 ? 3.208 9.989 -3.221 1.00 38.26 51 A 1 ATOM 390 C C . TYR A 1 51 ? 4.000 9.843 -4.510 1.00 38.19 51 A 1 ATOM 391 O O . TYR A 1 51 ? 3.587 9.121 -5.414 1.00 37.44 51 A 1 ATOM 392 C CB . TYR A 1 51 ? 3.267 8.720 -2.371 1.00 36.62 51 A 1 ATOM 393 C CG . TYR A 1 51 ? 2.493 8.873 -1.082 1.00 33.89 51 A 1 ATOM 394 C CD1 . TYR A 1 51 ? 3.048 9.612 -0.017 1.00 31.60 51 A 1 ATOM 395 C CD2 . TYR A 1 51 ? 1.195 8.328 -0.967 1.00 31.80 51 A 1 ATOM 396 C CE1 . TYR A 1 51 ? 2.304 9.813 1.159 1.00 28.97 51 A 1 ATOM 397 C CE2 . TYR A 1 51 ? 0.450 8.532 0.210 1.00 29.36 51 A 1 ATOM 398 C CZ . TYR A 1 51 ? 1.005 9.278 1.270 1.00 28.89 51 A 1 ATOM 399 O OH . TYR A 1 51 ? 0.280 9.495 2.397 1.00 27.83 51 A 1 ATOM 400 N N . ALA A 1 52 ? 5.123 10.540 -4.598 1.00 36.77 52 A 1 ATOM 401 C CA . ALA A 1 52 ? 6.011 10.487 -5.749 1.00 36.68 52 A 1 ATOM 402 C C . ALA A 1 52 ? 7.411 10.018 -5.334 1.00 36.52 52 A 1 ATOM 403 O O . ALA A 1 52 ? 7.859 10.293 -4.220 1.00 35.48 52 A 1 ATOM 404 C CB . ALA A 1 52 ? 6.015 11.853 -6.446 1.00 35.25 52 A 1 ATOM 405 N N . ASP A 1 53 ? 8.101 9.338 -6.246 1.00 37.12 53 A 1 ATOM 406 C CA . ASP A 1 53 ? 9.510 8.989 -6.084 1.00 37.66 53 A 1 ATOM 407 C C . ASP A 1 53 ? 10.414 10.237 -6.113 1.00 37.59 53 A 1 ATOM 408 O O . ASP A 1 53 ? 9.980 11.371 -6.342 1.00 37.08 53 A 1 ATOM 409 C CB . ASP A 1 53 ? 9.926 7.904 -7.109 1.00 36.82 53 A 1 ATOM 410 C CG . ASP A 1 53 ? 10.166 8.384 -8.551 1.00 34.80 53 A 1 ATOM 411 O OD1 . ASP A 1 53 ? 10.028 9.588 -8.833 1.00 32.88 53 A 1 ATOM 412 O OD2 . ASP A 1 53 ? 10.599 7.568 -9.395 1.00 33.56 53 A 1 ATOM 413 N N . THR A 1 54 ? 11.705 10.030 -5.917 1.00 35.55 54 A 1 ATOM 414 C CA . THR A 1 54 ? 12.718 11.100 -5.948 1.00 35.38 54 A 1 ATOM 415 C C . THR A 1 54 ? 12.823 11.821 -7.298 1.00 35.65 54 A 1 ATOM 416 O O . THR A 1 54 ? 13.418 12.900 -7.370 1.00 33.73 54 A 1 ATOM 417 C CB . THR A 1 54 ? 14.096 10.537 -5.577 1.00 32.54 54 A 1 ATOM 418 O OG1 . THR A 1 54 ? 14.411 9.419 -6.380 1.00 29.94 54 A 1 ATOM 419 C CG2 . THR A 1 54 ? 14.152 10.079 -4.119 1.00 29.21 54 A 1 ATOM 420 N N . ASN A 1 55 ? 12.240 11.257 -8.358 1.00 39.37 55 A 1 ATOM 421 C CA . ASN A 1 55 ? 12.174 11.850 -9.692 1.00 40.62 55 A 1 ATOM 422 C C . ASN A 1 55 ? 10.826 12.539 -9.966 1.00 40.77 55 A 1 ATOM 423 O O . ASN A 1 55 ? 10.652 13.136 -11.032 1.00 39.95 55 A 1 ATOM 424 C CB . ASN A 1 55 ? 12.481 10.765 -10.732 1.00 39.63 55 A 1 ATOM 425 C CG . ASN A 1 55 ? 13.805 10.072 -10.493 1.00 36.59 55 A 1 ATOM 426 O OD1 . ASN A 1 55 ? 14.863 10.681 -10.449 1.00 34.27 55 A 1 ATOM 427 N ND2 . ASN A 1 55 ? 13.784 8.771 -10.325 1.00 34.54 55 A 1 ATOM 428 N N . GLY A 1 56 ? 9.894 12.494 -9.022 1.00 38.71 56 A 1 ATOM 429 C CA . GLY A 1 56 ? 8.559 13.082 -9.133 1.00 39.02 56 A 1 ATOM 430 C C . GLY A 1 56 ? 7.529 12.172 -9.807 1.00 39.60 56 A 1 ATOM 431 O O . GLY A 1 56 ? 6.458 12.663 -10.160 1.00 38.57 56 A 1 ATOM 432 N N . ASN A 1 57 ? 7.826 10.879 -9.998 1.00 39.83 57 A 1 ATOM 433 C CA . ASN A 1 57 ? 6.863 9.929 -10.549 1.00 40.90 57 A 1 ATOM 434 C C . ASN A 1 57 ? 5.902 9.473 -9.443 1.00 41.01 57 A 1 ATOM 435 O O . ASN A 1 57 ? 6.374 9.023 -8.399 1.00 40.53 57 A 1 ATOM 436 C CB . ASN A 1 57 ? 7.573 8.709 -11.145 1.00 40.13 57 A 1 ATOM 437 C CG . ASN A 1 57 ? 8.618 9.068 -12.170 1.00 36.52 57 A 1 ATOM 438 O OD1 . ASN A 1 57 ? 8.375 9.779 -13.136 1.00 33.95 57 A 1 ATOM 439 N ND2 . ASN A 1 57 ? 9.824 8.588 -11.984 1.00 34.05 57 A 1 ATOM 440 N N . PRO A 1 58 ? 4.583 9.543 -9.643 1.00 37.41 58 A 1 ATOM 441 C CA . PRO A 1 58 ? 3.621 9.112 -8.641 1.00 37.52 58 A 1 ATOM 442 C C . PRO A 1 58 ? 3.724 7.598 -8.409 1.00 37.77 58 A 1 ATOM 443 O O . PRO A 1 58 ? 3.618 6.815 -9.349 1.00 37.47 58 A 1 ATOM 444 C CB . PRO A 1 58 ? 2.256 9.550 -9.171 1.00 36.47 58 A 1 ATOM 445 C CG . PRO A 1 58 ? 2.450 9.589 -10.690 1.00 35.48 58 A 1 ATOM 446 C CD . PRO A 1 58 ? 3.910 9.991 -10.857 1.00 35.88 58 A 1 ATOM 447 N N . ILE A 1 59 ? 3.917 7.202 -7.153 1.00 37.11 59 A 1 ATOM 448 C CA . ILE A 1 59 ? 4.017 5.799 -6.722 1.00 37.45 59 A 1 ATOM 449 C C . ILE A 1 59 ? 2.670 5.329 -6.157 1.00 37.56 59 A 1 ATOM 450 O O . ILE A 1 59 ? 2.210 4.240 -6.477 1.00 36.48 59 A 1 ATOM 451 C CB . ILE A 1 59 ? 5.145 5.605 -5.680 1.00 35.87 59 A 1 ATOM 452 C CG1 . ILE A 1 59 ? 6.484 6.227 -6.120 1.00 33.29 59 A 1 ATOM 453 C CG2 . ILE A 1 59 ? 5.341 4.100 -5.412 1.00 32.63 59 A 1 ATOM 454 C CD1 . ILE A 1 59 ? 7.593 6.093 -5.062 1.00 31.32 59 A 1 ATOM 455 N N . TYR A 1 60 ? 2.026 6.165 -5.353 1.00 38.64 60 A 1 ATOM 456 C CA . TYR A 1 60 ? 0.747 5.851 -4.714 1.00 39.31 60 A 1 ATOM 457 C C . TYR A 1 60 ? -0.212 7.035 -4.808 1.00 39.57 60 A 1 ATOM 458 O O . TYR A 1 60 ? 0.199 8.198 -4.799 1.00 38.27 60 A 1 ATOM 459 C CB . TYR A 1 60 ? 0.961 5.441 -3.248 1.00 37.36 60 A 1 ATOM 460 C CG . TYR A 1 60 ? 1.932 4.292 -3.054 1.00 34.38 60 A 1 ATOM 461 C CD1 . TYR A 1 60 ? 1.568 2.986 -3.435 1.00 31.97 60 A 1 ATOM 462 C CD2 . TYR A 1 60 ? 3.215 4.531 -2.522 1.00 32.12 60 A 1 ATOM 463 C CE1 . TYR A 1 60 ? 2.487 1.927 -3.298 1.00 29.33 60 A 1 ATOM 464 C CE2 . TYR A 1 60 ? 4.134 3.474 -2.385 1.00 29.86 60 A 1 ATOM 465 C CZ . TYR A 1 60 ? 3.773 2.171 -2.777 1.00 28.65 60 A 1 ATOM 466 O OH . TYR A 1 60 ? 4.665 1.153 -2.659 1.00 27.68 60 A 1 ATOM 467 N N . LEU A 1 61 ? -1.500 6.723 -4.865 1.00 39.72 61 A 1 ATOM 468 C CA . LEU A 1 61 ? -2.591 7.687 -4.802 1.00 40.17 61 A 1 ATOM 469 C C . LEU A 1 61 ? -3.533 7.266 -3.675 1.00 41.00 61 A 1 ATOM 470 O O . LEU A 1 61 ? -4.138 6.199 -3.748 1.00 40.50 61 A 1 ATOM 471 C CB . LEU A 1 61 ? -3.289 7.734 -6.176 1.00 38.26 61 A 1 ATOM 472 C CG . LEU A 1 61 ? -4.437 8.754 -6.263 1.00 34.78 61 A 1 ATOM 473 C CD1 . LEU A 1 61 ? -3.938 10.195 -6.190 1.00 31.70 61 A 1 ATOM 474 C CD2 . LEU A 1 61 ? -5.162 8.588 -7.600 1.00 31.60 61 A 1 ATOM 475 N N . GLY A 1 62 ? -3.654 8.092 -2.659 1.00 43.17 62 A 1 ATOM 476 C CA . GLY A 1 62 ? -4.688 7.990 -1.633 1.00 43.50 62 A 1 ATOM 477 C C . GLY A 1 62 ? -5.706 9.108 -1.790 1.00 43.63 62 A 1 ATOM 478 O O . GLY A 1 62 ? -5.372 10.192 -2.284 1.00 42.56 62 A 1 ATOM 479 N N . TYR A 1 63 ? -6.933 8.867 -1.362 1.00 41.98 63 A 1 ATOM 480 C CA . TYR A 1 63 ? -7.925 9.926 -1.258 1.00 42.48 63 A 1 ATOM 481 C C . TYR A 1 63 ? -8.689 9.820 0.060 1.00 42.54 63 A 1 ATOM 482 O O . TYR A 1 63 ? -9.032 8.737 0.513 1.00 41.66 63 A 1 ATOM 483 C CB . TYR A 1 63 ? -8.838 9.961 -2.489 1.00 40.87 63 A 1 ATOM 484 C CG . TYR A 1 63 ? -9.781 8.788 -2.636 1.00 37.60 63 A 1 ATOM 485 C CD1 . TYR A 1 63 ? -9.341 7.585 -3.214 1.00 35.20 63 A 1 ATOM 486 C CD2 . TYR A 1 63 ? -11.115 8.914 -2.209 1.00 35.22 63 A 1 ATOM 487 C CE1 . TYR A 1 63 ? -10.229 6.505 -3.363 1.00 32.12 63 A 1 ATOM 488 C CE2 . TYR A 1 63 ? -12.008 7.836 -2.353 1.00 32.67 63 A 1 ATOM 489 C CZ . TYR A 1 63 ? -11.564 6.628 -2.928 1.00 31.56 63 A 1 ATOM 490 O OH . TYR A 1 63 ? -12.428 5.586 -3.046 1.00 30.57 63 A 1 ATOM 491 N N . ALA A 1 64 ? -8.940 10.962 0.663 1.00 43.10 64 A 1 ATOM 492 C CA . ALA A 1 64 ? -9.816 11.091 1.814 1.00 43.14 64 A 1 ATOM 493 C C . ALA A 1 64 ? -11.179 11.613 1.356 1.00 43.50 64 A 1 ATOM 494 O O . ALA A 1 64 ? -11.250 12.528 0.529 1.00 42.47 64 A 1 ATOM 495 C CB . ALA A 1 64 ? -9.153 11.998 2.856 1.00 41.06 64 A 1 ATOM 496 N N . TYR A 1 65 ? -12.262 11.071 1.898 1.00 41.79 65 A 1 ATOM 497 C CA . TYR A 1 65 ? -13.612 11.571 1.645 1.00 43.15 65 A 1 ATOM 498 C C . TYR A 1 65 ? -14.421 11.604 2.939 1.00 43.08 65 A 1 ATOM 499 O O . TYR A 1 65 ? -14.056 10.996 3.935 1.00 42.19 65 A 1 ATOM 500 C CB . TYR A 1 65 ? -14.300 10.759 0.541 1.00 41.96 65 A 1 ATOM 501 C CG . TYR A 1 65 ? -14.609 9.313 0.874 1.00 38.61 65 A 1 ATOM 502 C CD1 . TYR A 1 65 ? -13.624 8.328 0.694 1.00 36.18 65 A 1 ATOM 503 C CD2 . TYR A 1 65 ? -15.888 8.947 1.339 1.00 36.57 65 A 1 ATOM 504 C CE1 . TYR A 1 65 ? -13.913 6.979 0.966 1.00 34.29 65 A 1 ATOM 505 C CE2 . TYR A 1 65 ? -16.181 7.597 1.616 1.00 35.46 65 A 1 ATOM 506 C CZ . TYR A 1 65 ? -15.194 6.609 1.426 1.00 33.40 65 A 1 ATOM 507 O OH . TYR A 1 65 ? -15.472 5.305 1.685 1.00 33.27 65 A 1 ATOM 508 N N . LEU A 1 66 ? -15.508 12.366 2.918 1.00 44.06 66 A 1 ATOM 509 C CA . LEU A 1 66 ? -16.520 12.326 3.965 1.00 45.20 66 A 1 ATOM 510 C C . LEU A 1 66 ? -17.699 11.514 3.441 1.00 46.11 66 A 1 ATOM 511 O O . LEU A 1 66 ? -18.152 11.760 2.318 1.00 45.10 66 A 1 ATOM 512 C CB . LEU A 1 66 ? -16.951 13.745 4.364 1.00 43.03 66 A 1 ATOM 513 C CG . LEU A 1 66 ? -15.840 14.606 4.985 1.00 39.12 66 A 1 ATOM 514 C CD1 . LEU A 1 66 ? -16.337 16.038 5.179 1.00 35.91 66 A 1 ATOM 515 C CD2 . LEU A 1 66 ? -15.384 14.079 6.342 1.00 36.53 66 A 1 ATOM 516 N N . ASP A 1 67 ? -18.192 10.572 4.227 1.00 42.53 67 A 1 ATOM 517 C CA . ASP A 1 67 ? -19.400 9.828 3.886 1.00 45.07 67 A 1 ATOM 518 C C . ASP A 1 67 ? -20.677 10.660 4.119 1.00 45.77 67 A 1 ATOM 519 O O . ASP A 1 67 ? -20.645 11.829 4.523 1.00 45.48 67 A 1 ATOM 520 C CB . ASP A 1 67 ? -19.396 8.461 4.596 1.00 44.70 67 A 1 ATOM 521 C CG . ASP A 1 67 ? -19.786 8.480 6.079 1.00 41.17 67 A 1 ATOM 522 O OD1 . ASP A 1 67 ? -20.071 9.569 6.618 1.00 40.06 67 A 1 ATOM 523 O OD2 . ASP A 1 67 ? -19.936 7.369 6.627 1.00 40.66 67 A 1 ATOM 524 N N . ASP A 1 68 ? -21.843 10.057 3.861 1.00 49.84 68 A 1 ATOM 525 C CA . ASP A 1 68 ? -23.153 10.694 4.042 1.00 52.49 68 A 1 ATOM 526 C C . ASP A 1 68 ? -23.461 11.051 5.512 1.00 53.01 68 A 1 ATOM 527 O O . ASP A 1 68 ? -24.353 11.866 5.778 1.00 51.99 68 A 1 ATOM 528 C CB . ASP A 1 68 ? -24.245 9.768 3.482 1.00 50.99 68 A 1 ATOM 529 C CG . ASP A 1 68 ? -24.262 9.628 1.952 1.00 46.74 68 A 1 ATOM 530 O OD1 . ASP A 1 68 ? -23.817 10.566 1.251 1.00 44.10 68 A 1 ATOM 531 O OD2 . ASP A 1 68 ? -24.830 8.618 1.476 1.00 43.55 68 A 1 ATOM 532 N N . ASN A 1 69 ? -22.730 10.466 6.469 1.00 52.22 69 A 1 ATOM 533 C CA . ASN A 1 69 ? -22.822 10.766 7.899 1.00 53.96 69 A 1 ATOM 534 C C . ASN A 1 69 ? -21.802 11.827 8.342 1.00 53.09 69 A 1 ATOM 535 O O . ASN A 1 69 ? -21.848 12.283 9.487 1.00 51.31 69 A 1 ATOM 536 C CB . ASN A 1 69 ? -22.682 9.468 8.701 1.00 53.94 69 A 1 ATOM 537 C CG . ASN A 1 69 ? -23.736 8.441 8.355 1.00 51.13 69 A 1 ATOM 538 O OD1 . ASN A 1 69 ? -24.929 8.719 8.267 1.00 49.09 69 A 1 ATOM 539 N ND2 . ASN A 1 69 ? -23.329 7.213 8.155 1.00 48.73 69 A 1 ATOM 540 N N . ASN A 1 70 ? -20.977 12.302 7.406 1.00 47.34 70 A 1 ATOM 541 C CA . ASN A 1 70 ? -19.907 13.265 7.644 1.00 48.30 70 A 1 ATOM 542 C C . ASN A 1 70 ? -18.710 12.676 8.426 1.00 47.94 70 A 1 ATOM 543 O O . ASN A 1 70 ? -17.937 13.431 9.017 1.00 46.18 70 A 1 ATOM 544 C CB . ASN A 1 70 ? -20.540 14.560 8.197 1.00 47.08 70 A 1 ATOM 545 C CG . ASN A 1 70 ? -19.874 15.831 7.768 1.00 42.91 70 A 1 ATOM 546 O OD1 . ASN A 1 70 ? -19.943 16.270 6.632 1.00 40.98 70 A 1 ATOM 547 N ND2 . ASN A 1 70 ? -19.284 16.543 8.689 1.00 40.70 70 A 1 ATOM 548 N N . ASP A 1 71 ? -18.559 11.357 8.378 1.00 43.56 71 A 1 ATOM 549 C CA . ASP A 1 71 ? -17.417 10.622 8.914 1.00 45.02 71 A 1 ATOM 550 C C . ASP A 1 71 ? -16.286 10.603 7.874 1.00 45.32 71 A 1 ATOM 551 O O . ASP A 1 71 ? -16.523 10.514 6.664 1.00 44.36 71 A 1 ATOM 552 C CB . ASP A 1 71 ? -17.850 9.213 9.361 1.00 43.59 71 A 1 ATOM 553 C CG . ASP A 1 71 ? -18.854 9.248 10.532 1.00 40.11 71 A 1 ATOM 554 O OD1 . ASP A 1 71 ? -18.654 10.090 11.443 1.00 38.23 71 A 1 ATOM 555 O OD2 . ASP A 1 71 ? -19.819 8.454 10.524 1.00 37.83 71 A 1 ATOM 556 N N . ALA A 1 72 ? -15.055 10.781 8.340 1.00 42.35 72 A 1 ATOM 557 C CA . ALA A 1 72 ? -13.888 10.872 7.474 1.00 42.21 72 A 1 ATOM 558 C C . ALA A 1 72 ? -13.331 9.479 7.168 1.00 43.23 72 A 1 ATOM 559 O O . ALA A 1 72 ? -12.899 8.775 8.076 1.00 42.23 72 A 1 ATOM 560 C CB . ALA A 1 72 ? -12.839 11.776 8.125 1.00 39.36 72 A 1 ATOM 561 N N . HIS A 1 73 ? -13.257 9.146 5.887 1.00 39.25 73 A 1 ATOM 562 C CA . HIS A 1 73 ? -12.697 7.902 5.379 1.00 41.06 73 A 1 ATOM 563 C C . HIS A 1 73 ? -11.447 8.202 4.558 1.00 41.16 73 A 1 ATOM 564 O O . HIS A 1 73 ? -11.394 9.189 3.818 1.00 40.59 73 A 1 ATOM 565 C CB . HIS A 1 73 ? -13.747 7.167 4.542 1.00 39.66 73 A 1 ATOM 566 C CG . HIS A 1 73 ? -14.950 6.762 5.349 1.00 36.33 73 A 1 ATOM 567 N ND1 . HIS A 1 73 ? -15.097 5.579 6.057 1.00 34.45 73 A 1 ATOM 568 C CD2 . HIS A 1 73 ? -16.064 7.527 5.542 1.00 33.94 73 A 1 ATOM 569 C CE1 . HIS A 1 73 ? -16.286 5.637 6.666 1.00 32.43 73 A 1 ATOM 570 N NE2 . HIS A 1 73 ? -16.902 6.801 6.383 1.00 32.62 73 A 1 ATOM 571 N N . ILE A 1 74 ? -10.437 7.355 4.670 1.00 41.14 74 A 1 ATOM 572 C CA . ILE A 1 74 ? -9.233 7.418 3.836 1.00 41.55 74 A 1 ATOM 573 C C . ILE A 1 74 ? -9.115 6.102 3.076 1.00 41.69 74 A 1 ATOM 574 O O . ILE A 1 74 ? -8.694 5.087 3.622 1.00 40.89 74 A 1 ATOM 575 C CB . ILE A 1 74 ? -7.967 7.768 4.647 1.00 40.01 74 A 1 ATOM 576 C CG1 . ILE A 1 74 ? -8.163 9.129 5.365 1.00 36.69 74 A 1 ATOM 577 C CG2 . ILE A 1 74 ? -6.741 7.807 3.709 1.00 35.54 74 A 1 ATOM 578 C CD1 . ILE A 1 74 ? -6.940 9.634 6.137 1.00 34.32 74 A 1 ATOM 579 N N . ASP A 1 75 ? -9.435 6.142 1.786 1.00 43.26 75 A 1 ATOM 580 C CA . ASP A 1 75 ? -9.147 5.048 0.872 1.00 44.34 75 A 1 ATOM 581 C C . ASP A 1 75 ? -7.739 5.244 0.318 1.00 44.27 75 A 1 ATOM 582 O O . ASP A 1 75 ? -7.468 6.088 -0.544 1.00 42.91 75 A 1 ATOM 583 C CB . ASP A 1 75 ? -10.206 4.943 -0.230 1.00 42.67 75 A 1 ATOM 584 C CG . ASP A 1 75 ? -11.432 4.116 0.159 1.00 38.70 75 A 1 ATOM 585 O OD1 . ASP A 1 75 ? -11.295 3.227 1.017 1.00 36.71 75 A 1 ATOM 586 O OD2 . ASP A 1 75 ? -12.481 4.335 -0.490 1.00 36.75 75 A 1 ATOM 587 N N . LEU A 1 76 ? -6.817 4.452 0.836 1.00 40.89 76 A 1 ATOM 588 C CA . LEU A 1 76 ? -5.518 4.253 0.221 1.00 41.10 76 A 1 ATOM 589 C C . LEU A 1 76 ? -5.712 3.253 -0.921 1.00 41.03 76 A 1 ATOM 590 O O . LEU A 1 76 ? -6.238 2.165 -0.701 1.00 39.83 76 A 1 ATOM 591 C CB . LEU A 1 76 ? -4.518 3.768 1.279 1.00 39.02 76 A 1 ATOM 592 C CG . LEU A 1 76 ? -4.254 4.786 2.405 1.00 36.01 76 A 1 ATOM 593 C CD1 . LEU A 1 76 ? -3.453 4.134 3.531 1.00 33.41 76 A 1 ATOM 594 C CD2 . LEU A 1 76 ? -3.466 5.997 1.905 1.00 33.17 76 A 1 ATOM 595 N N . ALA A 1 77 ? -5.262 3.590 -2.129 1.00 38.10 77 A 1 ATOM 596 C CA . ALA A 1 77 ? -5.215 2.663 -3.268 1.00 37.56 77 A 1 ATOM 597 C C . ALA A 1 77 ? -4.127 1.583 -3.084 1.00 37.37 77 A 1 ATOM 598 O O . ALA A 1 77 ? -3.342 1.279 -3.978 1.00 35.56 77 A 1 ATOM 599 C CB . ALA A 1 77 ? -5.084 3.463 -4.566 1.00 35.42 77 A 1 ATOM 600 N N . VAL A 1 78 ? -4.070 1.049 -1.873 1.00 36.34 78 A 1 ATOM 601 C CA . VAL A 1 78 ? -3.264 -0.047 -1.379 1.00 35.98 78 A 1 ATOM 602 C C . VAL A 1 78 ? -4.268 -0.891 -0.606 1.00 35.56 78 A 1 ATOM 603 O O . VAL A 1 78 ? -4.472 -0.629 0.564 1.00 34.13 78 A 1 ATOM 604 C CB . VAL A 1 78 ? -2.137 0.473 -0.467 1.00 34.37 78 A 1 ATOM 605 C CG1 . VAL A 1 78 ? -1.266 -0.668 0.028 1.00 32.14 78 A 1 ATOM 606 C CG2 . VAL A 1 78 ? -1.228 1.489 -1.167 1.00 31.82 78 A 1 ATOM 607 N N . GLY A 1 79 ? -4.959 -1.814 -1.279 1.00 31.05 79 A 1 ATOM 608 C CA . GLY A 1 79 ? -5.901 -2.813 -0.746 1.00 30.92 79 A 1 ATOM 609 C C . GLY A 1 79 ? -6.838 -2.352 0.383 1.00 30.95 79 A 1 ATOM 610 O O . GLY A 1 79 ? -6.367 -1.941 1.429 1.00 29.32 79 A 1 ATOM 611 N N . ALA A 1 80 ? -8.147 -2.470 0.174 1.00 28.39 80 A 1 ATOM 612 C CA . ALA A 1 80 ? -9.212 -2.044 1.092 1.00 28.28 80 A 1 ATOM 613 C C . ALA A 1 80 ? -8.810 -2.039 2.584 1.00 28.79 80 A 1 ATOM 614 O O . ALA A 1 80 ? -8.451 -3.076 3.139 1.00 27.25 80 A 1 ATOM 615 C CB . ALA A 1 80 ? -10.405 -2.978 0.864 1.00 25.91 80 A 1 ATOM 616 N N . CYS A 1 81 ? -8.909 -0.876 3.228 1.00 32.68 81 A 1 ATOM 617 C CA . CYS A 1 81 ? -9.093 -0.823 4.671 1.00 33.58 81 A 1 ATOM 618 C C . CYS A 1 81 ? -10.467 -1.444 4.961 1.00 33.71 81 A 1 ATOM 619 O O . CYS A 1 81 ? -11.436 -1.103 4.285 1.00 32.04 81 A 1 ATOM 620 C CB . CYS A 1 81 ? -8.999 0.627 5.161 1.00 31.67 81 A 1 ATOM 621 S SG . CYS A 1 81 ? -7.321 1.287 4.883 1.00 29.25 81 A 1 ATOM 622 N N . ASN A 1 82 ? -10.543 -2.393 5.890 1.00 33.62 82 A 1 ATOM 623 C CA . ASN A 1 82 ? -11.846 -2.858 6.358 1.00 34.88 82 A 1 ATOM 624 C C . ASN A 1 82 ? -12.566 -1.688 7.041 1.00 35.62 82 A 1 ATOM 625 O O . ASN A 1 82 ? -11.921 -0.874 7.697 1.00 33.70 82 A 1 ATOM 626 C CB . ASN A 1 82 ? -11.687 -4.067 7.294 1.00 32.45 82 A 1 ATOM 627 C CG . ASN A 1 82 ? -11.481 -5.388 6.574 1.00 29.46 82 A 1 ATOM 628 O OD1 . ASN A 1 82 ? -11.770 -5.578 5.403 1.00 26.70 82 A 1 ATOM 629 N ND2 . ASN A 1 82 ? -10.993 -6.383 7.273 1.00 26.62 82 A 1 ATOM 630 N N . GLU A 1 83 ? -13.876 -1.626 6.892 1.00 37.81 83 A 1 ATOM 631 C CA . GLU A 1 83 ? -14.758 -0.539 7.357 1.00 38.93 83 A 1 ATOM 632 C C . GLU A 1 83 ? -14.772 -0.334 8.891 1.00 40.10 83 A 1 ATOM 633 O O . GLU A 1 83 ? -15.478 0.550 9.365 1.00 38.03 83 A 1 ATOM 634 C CB . GLU A 1 83 ? -16.189 -0.811 6.825 1.00 36.19 83 A 1 ATOM 635 C CG . GLU A 1 83 ? -16.321 -0.743 5.285 1.00 32.00 83 A 1 ATOM 636 C CD . GLU A 1 83 ? -17.743 -1.032 4.746 1.00 29.38 83 A 1 ATOM 637 O OE1 . GLU A 1 83 ? -18.054 -0.568 3.622 1.00 27.32 83 A 1 ATOM 638 O OE2 . GLU A 1 83 ? -18.517 -1.760 5.411 1.00 27.31 83 A 1 ATOM 639 N N . ASP A 1 84 ? -14.026 -1.123 9.652 1.00 44.45 84 A 1 ATOM 640 C CA . ASP A 1 84 ? -14.147 -1.220 11.115 1.00 46.23 84 A 1 ATOM 641 C C . ASP A 1 84 ? -12.962 -0.640 11.920 1.00 47.49 84 A 1 ATOM 642 O O . ASP A 1 84 ? -13.016 -0.664 13.152 1.00 45.05 84 A 1 ATOM 643 C CB . ASP A 1 84 ? -14.425 -2.688 11.501 1.00 43.28 84 A 1 ATOM 644 C CG . ASP A 1 84 ? -15.811 -3.216 11.085 1.00 39.24 84 A 1 ATOM 645 O OD1 . ASP A 1 84 ? -16.797 -2.441 11.112 1.00 36.11 84 A 1 ATOM 646 O OD2 . ASP A 1 84 ? -15.909 -4.437 10.814 1.00 35.84 84 A 1 ATOM 647 N N . ASP A 1 85 ? -11.914 -0.110 11.286 1.00 47.37 85 A 1 ATOM 648 C CA . ASP A 1 85 ? -10.746 0.406 12.011 1.00 49.39 85 A 1 ATOM 649 C C . ASP A 1 85 ? -10.780 1.946 12.121 1.00 49.60 85 A 1 ATOM 650 O O . ASP A 1 85 ? -10.356 2.676 11.220 1.00 47.93 85 A 1 ATOM 651 C CB . ASP A 1 85 ? -9.437 -0.131 11.394 1.00 47.44 85 A 1 ATOM 652 C CG . ASP A 1 85 ? -9.225 -1.650 11.561 1.00 43.95 85 A 1 ATOM 653 O OD1 . ASP A 1 85 ? -9.639 -2.216 12.592 1.00 41.48 85 A 1 ATOM 654 O OD2 . ASP A 1 85 ? -8.599 -2.246 10.647 1.00 41.06 85 A 1 ATOM 655 N N . ASP A 1 86 ? -11.281 2.447 13.251 1.00 50.03 86 A 1 ATOM 656 C CA . ASP A 1 86 ? -11.255 3.867 13.631 1.00 51.40 86 A 1 ATOM 657 C C . ASP A 1 86 ? -9.824 4.295 14.015 1.00 52.17 86 A 1 ATOM 658 O O . ASP A 1 86 ? -9.453 4.329 15.193 1.00 50.12 86 A 1 ATOM 659 C CB . ASP A 1 86 ? -12.230 4.139 14.803 1.00 48.98 86 A 1 ATOM 660 C CG . ASP A 1 86 ? -13.713 4.312 14.450 1.00 44.94 86 A 1 ATOM 661 O OD1 . ASP A 1 86 ? -14.022 4.775 13.335 1.00 42.16 86 A 1 ATOM 662 O OD2 . ASP A 1 86 ? -14.542 4.091 15.367 1.00 41.61 86 A 1 ATOM 663 N N . PHE A 1 87 ? -8.994 4.634 13.022 1.00 48.82 87 A 1 ATOM 664 C CA . PHE A 1 87 ? -7.692 5.263 13.262 1.00 50.04 87 A 1 ATOM 665 C C . PHE A 1 87 ? -7.833 6.775 13.442 1.00 50.25 87 A 1 ATOM 666 O O . PHE A 1 87 ? -8.505 7.449 12.659 1.00 48.81 87 A 1 ATOM 667 C CB . PHE A 1 87 ? -6.708 4.933 12.138 1.00 47.90 87 A 1 ATOM 668 C CG . PHE A 1 87 ? -6.364 3.465 12.026 1.00 44.89 87 A 1 ATOM 669 C CD1 . PHE A 1 87 ? -5.530 2.860 12.982 1.00 42.33 87 A 1 ATOM 670 C CD2 . PHE A 1 87 ? -6.908 2.693 10.983 1.00 42.22 87 A 1 ATOM 671 C CE1 . PHE A 1 87 ? -5.244 1.486 12.902 1.00 39.43 87 A 1 ATOM 672 C CE2 . PHE A 1 87 ? -6.622 1.318 10.903 1.00 39.24 87 A 1 ATOM 673 C CZ . PHE A 1 87 ? -5.794 0.712 11.866 1.00 38.99 87 A 1 ATOM 674 N N . ASP A 1 88 ? -7.156 7.339 14.426 1.00 52.88 88 A 1 ATOM 675 C CA . ASP A 1 88 ? -7.083 8.793 14.531 1.00 54.73 88 A 1 ATOM 676 C C . ASP A 1 88 ? -6.123 9.407 13.482 1.00 55.39 88 A 1 ATOM 677 O O . ASP A 1 88 ? -5.244 8.750 12.915 1.00 53.96 88 A 1 ATOM 678 C CB . ASP A 1 88 ? -6.887 9.249 15.999 1.00 53.29 88 A 1 ATOM 679 C CG . ASP A 1 88 ? -5.468 9.289 16.560 1.00 49.16 88 A 1 ATOM 680 O OD1 . ASP A 1 88 ? -4.524 9.556 15.784 1.00 47.67 88 A 1 ATOM 681 O OD2 . ASP A 1 88 ? -5.328 9.307 17.811 1.00 46.81 88 A 1 ATOM 682 N N . GLU A 1 89 ? -6.299 10.701 13.190 1.00 50.53 89 A 1 ATOM 683 C CA . GLU A 1 89 ? -5.522 11.404 12.155 1.00 51.17 89 A 1 ATOM 684 C C . GLU A 1 89 ? -4.005 11.311 12.403 1.00 52.46 89 A 1 ATOM 685 O O . GLU A 1 89 ? -3.214 11.284 11.461 1.00 51.39 89 A 1 ATOM 686 C CB . GLU A 1 89 ? -5.999 12.872 12.104 1.00 49.17 89 A 1 ATOM 687 C CG . GLU A 1 89 ? -5.408 13.694 10.944 1.00 43.86 89 A 1 ATOM 688 C CD . GLU A 1 89 ? -5.877 15.163 10.887 1.00 41.18 89 A 1 ATOM 689 O OE1 . GLU A 1 89 ? -5.406 15.894 9.979 1.00 39.48 89 A 1 ATOM 690 O OE2 . GLU A 1 89 ? -6.675 15.594 11.751 1.00 37.88 89 A 1 ATOM 691 N N . LYS A 1 90 ? -3.588 11.245 13.665 1.00 55.35 90 A 1 ATOM 692 C CA . LYS A 1 90 ? -2.174 11.171 14.040 1.00 57.14 90 A 1 ATOM 693 C C . LYS A 1 90 ? -1.597 9.778 13.778 1.00 56.74 90 A 1 ATOM 694 O O . LYS A 1 90 ? -0.504 9.687 13.224 1.00 55.88 90 A 1 ATOM 695 C CB . LYS A 1 90 ? -2.040 11.588 15.505 1.00 57.32 90 A 1 ATOM 696 C CG . LYS A 1 90 ? -0.585 11.635 15.956 1.00 53.64 90 A 1 ATOM 697 C CD . LYS A 1 90 ? -0.519 11.880 17.463 1.00 53.15 90 A 1 ATOM 698 C CE . LYS A 1 90 ? 0.933 11.686 17.885 1.00 49.94 90 A 1 ATOM 699 N NZ . LYS A 1 90 ? 1.064 10.609 18.867 1.00 45.56 90 A 1 ATOM 700 N N . GLU A 1 91 ? -2.335 8.728 14.122 1.00 56.71 91 A 1 ATOM 701 C CA . GLU A 1 91 ? -1.975 7.330 13.862 1.00 57.37 91 A 1 ATOM 702 C C . GLU A 1 91 ? -1.835 7.075 12.361 1.00 56.81 91 A 1 ATOM 703 O O . GLU A 1 91 ? -0.830 6.520 11.922 1.00 55.84 91 A 1 ATOM 704 C CB . GLU A 1 91 ? -3.041 6.409 14.467 1.00 56.12 91 A 1 ATOM 705 C CG . GLU A 1 91 ? -2.975 6.403 16.003 1.00 50.75 91 A 1 ATOM 706 C CD . GLU A 1 91 ? -4.145 5.654 16.660 1.00 48.48 91 A 1 ATOM 707 O OE1 . GLU A 1 91 ? -3.911 5.091 17.753 1.00 47.21 91 A 1 ATOM 708 O OE2 . GLU A 1 91 ? -5.261 5.702 16.096 1.00 46.38 91 A 1 ATOM 709 N N . ILE A 1 92 ? -2.760 7.596 11.557 1.00 49.04 92 A 1 ATOM 710 C CA . ILE A 1 92 ? -2.678 7.515 10.095 1.00 48.84 92 A 1 ATOM 711 C C . ILE A 1 92 ? -1.398 8.183 9.571 1.00 48.96 92 A 1 ATOM 712 O O . ILE A 1 92 ? -0.703 7.623 8.724 1.00 48.15 92 A 1 ATOM 713 C CB . ILE A 1 92 ? -3.946 8.131 9.462 1.00 46.97 92 A 1 ATOM 714 C CG1 . ILE A 1 92 ? -5.190 7.283 9.814 1.00 43.44 92 A 1 ATOM 715 C CG2 . ILE A 1 92 ? -3.794 8.235 7.935 1.00 42.00 92 A 1 ATOM 716 C CD1 . ILE A 1 92 ? -6.522 7.964 9.504 1.00 40.77 92 A 1 ATOM 717 N N . HIS A 1 93 ? -1.050 9.370 10.062 1.00 50.56 93 A 1 ATOM 718 C CA . HIS A 1 93 ? 0.180 10.053 9.648 1.00 51.31 93 A 1 ATOM 719 C C . HIS A 1 93 ? 1.447 9.301 10.079 1.00 51.97 93 A 1 ATOM 720 O O . HIS A 1 93 ? 2.421 9.282 9.324 1.00 51.53 93 A 1 ATOM 721 C CB . HIS A 1 93 ? 0.209 11.482 10.191 1.00 49.46 93 A 1 ATOM 722 C CG . HIS A 1 93 ? -0.647 12.452 9.412 1.00 45.47 93 A 1 ATOM 723 N ND1 . HIS A 1 93 ? -1.941 12.803 9.704 1.00 42.47 93 A 1 ATOM 724 C CD2 . HIS A 1 93 ? -0.283 13.171 8.311 1.00 41.59 93 A 1 ATOM 725 C CE1 . HIS A 1 93 ? -2.351 13.709 8.799 1.00 39.65 93 A 1 ATOM 726 N NE2 . HIS A 1 93 ? -1.367 13.976 7.930 1.00 39.65 93 A 1 ATOM 727 N N . GLU A 1 94 ? 1.456 8.698 11.258 1.00 56.77 94 A 1 ATOM 728 C CA . GLU A 1 94 ? 2.572 7.881 11.752 1.00 58.43 94 A 1 ATOM 729 C C . GLU A 1 94 ? 2.738 6.611 10.900 1.00 58.34 94 A 1 ATOM 730 O O . GLU A 1 94 ? 3.831 6.368 10.383 1.00 57.56 94 A 1 ATOM 731 C CB . GLU A 1 94 ? 2.401 7.595 13.263 1.00 58.73 94 A 1 ATOM 732 C CG . GLU A 1 94 ? 2.707 8.856 14.106 1.00 55.10 94 A 1 ATOM 733 C CD . GLU A 1 94 ? 2.481 8.739 15.642 1.00 53.89 94 A 1 ATOM 734 O OE1 . GLU A 1 94 ? 2.782 9.733 16.359 1.00 51.90 94 A 1 ATOM 735 O OE2 . GLU A 1 94 ? 1.977 7.721 16.143 1.00 52.44 94 A 1 ATOM 736 N N . MET A 1 95 ? 1.652 5.891 10.617 1.00 52.90 95 A 1 ATOM 737 C CA . MET A 1 95 ? 1.650 4.721 9.727 1.00 53.24 95 A 1 ATOM 738 C C . MET A 1 95 ? 2.147 5.062 8.318 1.00 53.15 95 A 1 ATOM 739 O O . MET A 1 95 ? 2.966 4.344 7.745 1.00 52.53 95 A 1 ATOM 740 C CB . MET A 1 95 ? 0.231 4.149 9.622 1.00 51.29 95 A 1 ATOM 741 C CG . MET A 1 95 ? -0.247 3.450 10.893 1.00 46.17 95 A 1 ATOM 742 S SD . MET A 1 95 ? -1.973 2.897 10.805 1.00 43.09 95 A 1 ATOM 743 C CE . MET A 1 95 ? -1.863 1.576 9.573 1.00 41.94 95 A 1 ATOM 744 N N . ILE A 1 96 ? 1.695 6.175 7.752 1.00 52.05 96 A 1 ATOM 745 C CA . ILE A 1 96 ? 2.153 6.655 6.443 1.00 51.60 96 A 1 ATOM 746 C C . ILE A 1 96 ? 3.659 6.948 6.462 1.00 51.74 96 A 1 ATOM 747 O O . ILE A 1 96 ? 4.371 6.555 5.538 1.00 50.67 96 A 1 ATOM 748 C CB . ILE A 1 96 ? 1.324 7.886 6.012 1.00 49.42 96 A 1 ATOM 749 C CG1 . ILE A 1 96 ? -0.096 7.442 5.574 1.00 45.84 96 A 1 ATOM 750 C CG2 . ILE A 1 96 ? 2.007 8.667 4.882 1.00 44.07 96 A 1 ATOM 751 C CD1 . ILE A 1 96 ? -1.093 8.594 5.407 1.00 42.64 96 A 1 ATOM 752 N N . ALA A 1 97 ? 4.153 7.620 7.493 1.00 55.99 97 A 1 ATOM 753 C CA . ALA A 1 97 ? 5.572 7.947 7.613 1.00 56.93 97 A 1 ATOM 754 C C . ALA A 1 97 ? 6.450 6.687 7.715 1.00 57.09 97 A 1 ATOM 755 O O . ALA A 1 97 ? 7.495 6.613 7.061 1.00 55.94 97 A 1 ATOM 756 C CB . ALA A 1 97 ? 5.758 8.879 8.815 1.00 55.89 97 A 1 ATOM 757 N N . GLU A 1 98 ? 6.012 5.682 8.466 1.00 56.47 98 A 1 ATOM 758 C CA . GLU A 1 98 ? 6.697 4.393 8.590 1.00 57.25 98 A 1 ATOM 759 C C . GLU A 1 98 ? 6.736 3.631 7.257 1.00 57.03 98 A 1 ATOM 760 O O . GLU A 1 98 ? 7.796 3.152 6.843 1.00 55.52 98 A 1 ATOM 761 C CB . GLU A 1 98 ? 6.015 3.550 9.674 1.00 56.38 98 A 1 ATOM 762 C CG . GLU A 1 98 ? 6.302 4.095 11.082 1.00 51.14 98 A 1 ATOM 763 C CD . GLU A 1 98 ? 5.634 3.283 12.206 1.00 48.39 98 A 1 ATOM 764 O OE1 . GLU A 1 98 ? 5.882 3.647 13.380 1.00 46.68 98 A 1 ATOM 765 O OE2 . GLU A 1 98 ? 4.936 2.295 11.890 1.00 45.30 98 A 1 ATOM 766 N N . GLN A 1 99 ? 5.619 3.586 6.538 1.00 51.18 99 A 1 ATOM 767 C CA . GLN A 1 99 ? 5.547 2.956 5.214 1.00 51.06 99 A 1 ATOM 768 C C . GLN A 1 99 ? 6.444 3.656 4.182 1.00 50.89 99 A 1 ATOM 769 O O . GLN A 1 99 ? 7.072 2.997 3.351 1.00 49.58 99 A 1 ATOM 770 C CB . GLN A 1 99 ? 4.085 2.952 4.729 1.00 48.82 99 A 1 ATOM 771 C CG . GLN A 1 99 ? 3.188 1.988 5.529 1.00 44.80 99 A 1 ATOM 772 C CD . GLN A 1 99 ? 3.561 0.526 5.349 1.00 41.96 99 A 1 ATOM 773 O OE1 . GLN A 1 99 ? 3.905 0.082 4.271 1.00 40.75 99 A 1 ATOM 774 N NE2 . GLN A 1 99 ? 3.497 -0.271 6.389 1.00 39.22 99 A 1 ATOM 775 N N . MET A 1 100 ? 6.549 4.982 4.238 1.00 51.41 100 A 1 ATOM 776 C CA . MET A 1 100 ? 7.443 5.750 3.369 1.00 51.34 100 A 1 ATOM 777 C C . MET A 1 100 ? 8.918 5.451 3.639 1.00 52.29 100 A 1 ATOM 778 O O . MET A 1 100 ? 9.695 5.302 2.695 1.00 51.33 100 A 1 ATOM 779 C CB . MET A 1 100 ? 7.190 7.251 3.544 1.00 48.74 100 A 1 ATOM 780 C CG . MET A 1 100 ? 5.901 7.719 2.872 1.00 43.62 100 A 1 ATOM 781 S SD . MET A 1 100 ? 5.589 9.501 3.059 1.00 40.87 100 A 1 ATOM 782 C CE . MET A 1 100 ? 6.928 10.182 2.050 1.00 39.23 100 A 1 ATOM 783 N N . GLU A 1 101 ? 9.310 5.359 4.898 1.00 54.54 101 A 1 ATOM 784 C CA . GLU A 1 101 ? 10.698 5.045 5.264 1.00 55.75 101 A 1 ATOM 785 C C . GLU A 1 101 ? 11.061 3.604 4.872 1.00 55.50 101 A 1 ATOM 786 O O . GLU A 1 101 ? 12.146 3.358 4.340 1.00 54.54 101 A 1 ATOM 787 C CB . GLU A 1 101 ? 10.908 5.315 6.762 1.00 55.29 101 A 1 ATOM 788 C CG . GLU A 1 101 ? 12.381 5.229 7.210 1.00 50.13 101 A 1 ATOM 789 C CD . GLU A 1 101 ? 13.343 6.249 6.553 1.00 47.71 101 A 1 ATOM 790 O OE1 . GLU A 1 101 ? 14.577 6.035 6.635 1.00 46.08 101 A 1 ATOM 791 O OE2 . GLU A 1 101 ? 12.889 7.263 5.971 1.00 44.92 101 A 1 ATOM 792 N N . LEU A 1 102 ? 10.129 2.665 5.033 1.00 51.41 102 A 1 ATOM 793 C CA . LEU A 1 102 ? 10.290 1.279 4.605 1.00 51.41 102 A 1 ATOM 794 C C . LEU A 1 102 ? 10.462 1.175 3.080 1.00 51.28 102 A 1 ATOM 795 O O . LEU A 1 102 ? 11.429 0.581 2.606 1.00 50.60 102 A 1 ATOM 796 C CB . LEU A 1 102 ? 9.079 0.473 5.115 1.00 49.57 102 A 1 ATOM 797 C CG . LEU A 1 102 ? 9.215 -1.043 4.928 1.00 45.43 102 A 1 ATOM 798 C CD1 . LEU A 1 102 ? 10.302 -1.630 5.831 1.00 42.67 102 A 1 ATOM 799 C CD2 . LEU A 1 102 ? 7.891 -1.727 5.265 1.00 42.57 102 A 1 ATOM 800 N N . ALA A 1 103 ? 9.583 1.815 2.307 1.00 50.10 103 A 1 ATOM 801 C CA . ALA A 1 103 ? 9.664 1.829 0.847 1.00 49.39 103 A 1 ATOM 802 C C . ALA A 1 103 ? 10.982 2.440 0.337 1.00 49.70 103 A 1 ATOM 803 O O . ALA A 1 103 ? 11.610 1.913 -0.582 1.00 48.79 103 A 1 ATOM 804 C CB . ALA A 1 103 ? 8.452 2.600 0.305 1.00 46.99 103 A 1 ATOM 805 N N . LYS A 1 104 ? 11.433 3.521 0.973 1.00 50.04 104 A 1 ATOM 806 C CA . LYS A 1 104 ? 12.714 4.161 0.665 1.00 50.95 104 A 1 ATOM 807 C C . LYS A 1 104 ? 13.897 3.229 0.931 1.00 50.59 104 A 1 ATOM 808 O O . LYS A 1 104 ? 14.800 3.148 0.100 1.00 50.34 104 A 1 ATOM 809 C CB . LYS A 1 104 ? 12.796 5.448 1.480 1.00 50.64 104 A 1 ATOM 810 C CG . LYS A 1 104 ? 14.057 6.253 1.175 1.00 46.90 104 A 1 ATOM 811 C CD . LYS A 1 104 ? 14.060 7.458 2.107 1.00 45.47 104 A 1 ATOM 812 C CE . LYS A 1 104 ? 15.403 8.165 2.054 1.00 43.85 104 A 1 ATOM 813 N NZ . LYS A 1 104 ? 15.541 8.964 3.290 1.00 40.00 104 A 1 ATOM 814 N N . ARG A 1 105 ? 13.885 2.483 2.030 1.00 51.14 105 A 1 ATOM 815 C CA . ARG A 1 105 ? 14.938 1.507 2.356 1.00 51.01 105 A 1 ATOM 816 C C . ARG A 1 105 ? 14.984 0.345 1.370 1.00 50.23 105 A 1 ATOM 817 O O . ARG A 1 105 ? 16.070 -0.003 0.920 1.00 49.08 105 A 1 ATOM 818 C CB . ARG A 1 105 ? 14.753 0.990 3.784 1.00 49.42 105 A 1 ATOM 819 C CG . ARG A 1 105 ? 15.338 1.980 4.793 1.00 45.12 105 A 1 ATOM 820 C CD . ARG A 1 105 ? 15.130 1.433 6.202 1.00 43.56 105 A 1 ATOM 821 N NE . ARG A 1 105 ? 16.046 2.082 7.168 1.00 41.87 105 A 1 ATOM 822 C CZ . ARG A 1 105 ? 16.497 1.508 8.268 1.00 38.67 105 A 1 ATOM 823 N NH1 . ARG A 1 105 ? 16.031 0.381 8.699 1.00 37.19 105 A 1 ATOM 824 N NH2 . ARG A 1 105 ? 17.461 2.037 8.946 1.00 36.22 105 A 1 ATOM 825 N N . TYR A 1 106 ? 13.846 -0.209 0.964 1.00 46.84 106 A 1 ATOM 826 C CA . TYR A 1 106 ? 13.798 -1.222 -0.095 1.00 46.61 106 A 1 ATOM 827 C C . TYR A 1 106 ? 14.380 -0.701 -1.413 1.00 46.46 106 A 1 ATOM 828 O O . TYR A 1 106 ? 15.161 -1.388 -2.069 1.00 45.72 106 A 1 ATOM 829 C CB . TYR A 1 106 ? 12.354 -1.697 -0.296 1.00 44.50 106 A 1 ATOM 830 C CG . TYR A 1 106 ? 11.912 -2.761 0.687 1.00 41.22 106 A 1 ATOM 831 C CD1 . TYR A 1 106 ? 12.500 -4.039 0.627 1.00 38.92 106 A 1 ATOM 832 C CD2 . TYR A 1 106 ? 10.909 -2.495 1.634 1.00 38.78 106 A 1 ATOM 833 C CE1 . TYR A 1 106 ? 12.091 -5.049 1.518 1.00 36.03 106 A 1 ATOM 834 C CE2 . TYR A 1 106 ? 10.498 -3.500 2.529 1.00 35.91 106 A 1 ATOM 835 C CZ . TYR A 1 106 ? 11.088 -4.779 2.469 1.00 35.99 106 A 1 ATOM 836 O OH . TYR A 1 106 ? 10.693 -5.754 3.327 1.00 35.53 106 A 1 ATOM 837 N N . GLN A 1 107 ? 14.092 0.547 -1.767 1.00 46.87 107 A 1 ATOM 838 C CA . GLN A 1 107 ? 14.654 1.188 -2.953 1.00 47.30 107 A 1 ATOM 839 C C . GLN A 1 107 ? 16.179 1.377 -2.842 1.00 47.50 107 A 1 ATOM 840 O O . GLN A 1 107 ? 16.900 1.175 -3.823 1.00 46.90 107 A 1 ATOM 841 C CB . GLN A 1 107 ? 13.916 2.516 -3.177 1.00 45.82 107 A 1 ATOM 842 C CG . GLN A 1 107 ? 14.207 3.112 -4.558 1.00 41.80 107 A 1 ATOM 843 C CD . GLN A 1 107 ? 13.437 4.403 -4.828 1.00 39.26 107 A 1 ATOM 844 O OE1 . GLN A 1 107 ? 13.030 5.143 -3.952 1.00 38.18 107 A 1 ATOM 845 N NE2 . GLN A 1 107 ? 13.222 4.741 -6.081 1.00 36.16 107 A 1 ATOM 846 N N . GLU A 1 108 ? 16.696 1.741 -1.670 1.00 50.32 108 A 1 ATOM 847 C CA . GLU A 1 108 ? 18.136 1.885 -1.406 1.00 51.03 108 A 1 ATOM 848 C C . GLU A 1 108 ? 18.886 0.541 -1.443 1.00 49.83 108 A 1 ATOM 849 O O . GLU A 1 108 ? 20.041 0.498 -1.874 1.00 48.61 108 A 1 ATOM 850 C CB . GLU A 1 108 ? 18.350 2.586 -0.050 1.00 50.97 108 A 1 ATOM 851 C CG . GLU A 1 108 ? 18.047 4.096 -0.111 1.00 47.18 108 A 1 ATOM 852 C CD . GLU A 1 108 ? 18.163 4.826 1.250 1.00 45.21 108 A 1 ATOM 853 O OE1 . GLU A 1 108 ? 17.922 6.062 1.268 1.00 44.22 108 A 1 ATOM 854 O OE2 . GLU A 1 108 ? 18.530 4.186 2.263 1.00 44.34 108 A 1 ATOM 855 N N . LEU A 1 109 ? 18.230 -0.557 -1.061 1.00 47.45 109 A 1 ATOM 856 C CA . LEU A 1 109 ? 18.764 -1.920 -1.154 1.00 46.53 109 A 1 ATOM 857 C C . LEU A 1 109 ? 18.786 -2.458 -2.598 1.00 45.57 109 A 1 ATOM 858 O O . LEU A 1 109 ? 19.400 -3.488 -2.865 1.00 43.92 109 A 1 ATOM 859 C CB . LEU A 1 109 ? 17.969 -2.834 -0.203 1.00 44.47 109 A 1 ATOM 860 C CG . LEU A 1 109 ? 18.227 -2.558 1.293 1.00 41.53 109 A 1 ATOM 861 C CD1 . LEU A 1 109 ? 17.211 -3.313 2.147 1.00 39.17 109 A 1 ATOM 862 C CD2 . LEU A 1 109 ? 19.633 -2.991 1.723 1.00 39.55 109 A 1 ATOM 863 N N . GLY A 1 110 ? 18.186 -1.747 -3.542 1.00 42.41 110 A 1 ATOM 864 C CA . GLY A 1 110 ? 18.119 -2.141 -4.950 1.00 41.74 110 A 1 ATOM 865 C C . GLY A 1 110 ? 17.088 -3.229 -5.232 1.00 41.76 110 A 1 ATOM 866 O O . GLY A 1 110 ? 17.030 -3.723 -6.362 1.00 39.94 110 A 1 ATOM 867 N N . ASP A 1 111 ? 16.272 -3.572 -4.245 1.00 36.81 111 A 1 ATOM 868 C CA . ASP A 1 111 ? 15.143 -4.474 -4.424 1.00 37.46 111 A 1 ATOM 869 C C . ASP A 1 111 ? 14.009 -3.710 -5.110 1.00 37.17 111 A 1 ATOM 870 O O . ASP A 1 111 ? 13.528 -2.678 -4.638 1.00 36.01 111 A 1 ATOM 871 C CB . ASP A 1 111 ? 14.728 -5.111 -3.088 1.00 35.78 111 A 1 ATOM 872 C CG . ASP A 1 111 ? 15.654 -6.261 -2.646 1.00 33.29 111 A 1 ATOM 873 O OD1 . ASP A 1 111 ? 16.274 -6.895 -3.531 1.00 31.19 111 A 1 ATOM 874 O OD2 . ASP A 1 111 ? 15.700 -6.555 -1.433 1.00 31.25 111 A 1 ATOM 875 N N . THR A 1 112 ? 13.593 -4.204 -6.263 1.00 31.44 112 A 1 ATOM 876 C CA . THR A 1 112 ? 12.396 -3.681 -6.923 1.00 31.39 112 A 1 ATOM 877 C C . THR A 1 112 ? 11.200 -4.193 -6.137 1.00 31.66 112 A 1 ATOM 878 O O . THR A 1 112 ? 10.928 -5.389 -6.161 1.00 30.51 112 A 1 ATOM 879 C CB . THR A 1 112 ? 12.304 -4.107 -8.398 1.00 29.26 112 A 1 ATOM 880 O OG1 . THR A 1 112 ? 13.575 -4.162 -9.007 1.00 27.02 112 A 1 ATOM 881 C CG2 . THR A 1 112 ? 11.485 -3.106 -9.214 1.00 26.39 112 A 1 ATOM 882 N N . VAL A 1 113 ? 10.509 -3.311 -5.423 1.00 32.86 113 A 1 ATOM 883 C CA . VAL A 1 113 ? 9.295 -3.678 -4.684 1.00 32.96 113 A 1 ATOM 884 C C . VAL A 1 113 ? 8.228 -4.089 -5.699 1.00 32.84 113 A 1 ATOM 885 O O . VAL A 1 113 ? 7.584 -3.252 -6.328 1.00 32.02 113 A 1 ATOM 886 C CB . VAL A 1 113 ? 8.810 -2.544 -3.753 1.00 31.60 113 A 1 ATOM 887 C CG1 . VAL A 1 113 ? 7.585 -2.976 -2.935 1.00 29.45 113 A 1 ATOM 888 C CG2 . VAL A 1 113 ? 9.907 -2.131 -2.759 1.00 29.26 113 A 1 ATOM 889 N N . HIS A 1 114 ? 8.087 -5.398 -5.898 1.00 30.02 114 A 1 ATOM 890 C CA . HIS A 1 114 ? 7.023 -5.989 -6.687 1.00 30.19 114 A 1 ATOM 891 C C . HIS A 1 114 ? 5.939 -6.501 -5.738 1.00 30.60 114 A 1 ATOM 892 O O . HIS A 1 114 ? 5.946 -7.658 -5.350 1.00 29.75 114 A 1 ATOM 893 C CB . HIS A 1 114 ? 7.591 -7.092 -7.590 1.00 28.63 114 A 1 ATOM 894 C CG . HIS A 1 114 ? 8.396 -6.566 -8.754 1.00 26.69 114 A 1 ATOM 895 N ND1 . HIS A 1 114 ? 7.923 -5.769 -9.773 1.00 24.90 114 A 1 ATOM 896 C CD2 . HIS A 1 114 ? 9.715 -6.819 -9.027 1.00 24.76 114 A 1 ATOM 897 C CE1 . HIS A 1 114 ? 8.931 -5.549 -10.635 1.00 23.01 114 A 1 ATOM 898 N NE2 . HIS A 1 114 ? 10.041 -6.174 -10.224 1.00 23.30 114 A 1 ATOM 899 N N . GLY A 1 115 ? 5.023 -5.623 -5.380 1.00 33.40 115 A 1 ATOM 900 C CA . GLY A 1 115 ? 3.895 -5.944 -4.502 1.00 33.89 115 A 1 ATOM 901 C C . GLY A 1 115 ? 3.905 -5.124 -3.217 1.00 34.13 115 A 1 ATOM 902 O O . GLY A 1 115 ? 4.952 -4.711 -2.720 1.00 32.85 115 A 1 ATOM 903 N N . THR A 1 116 ? 2.731 -4.873 -2.684 1.00 33.35 116 A 1 ATOM 904 C CA . THR A 1 116 ? 2.565 -4.114 -1.446 1.00 33.85 116 A 1 ATOM 905 C C . THR A 1 116 ? 2.586 -5.080 -0.267 1.00 34.17 116 A 1 ATOM 906 O O . THR A 1 116 ? 1.645 -5.848 -0.072 1.00 33.23 116 A 1 ATOM 907 C CB . THR A 1 116 ? 1.272 -3.292 -1.442 1.00 32.11 116 A 1 ATOM 908 O OG1 . THR A 1 116 ? 1.023 -2.692 -2.695 1.00 30.13 116 A 1 ATOM 909 C CG2 . THR A 1 116 ? 1.390 -2.166 -0.411 1.00 29.55 116 A 1 ATOM 910 N N . THR A 1 117 ? 3.654 -5.041 0.533 1.00 36.38 117 A 1 ATOM 911 C CA . THR A 1 117 ? 3.706 -5.755 1.813 1.00 37.10 117 A 1 ATOM 912 C C . THR A 1 117 ? 3.175 -4.832 2.903 1.00 37.08 117 A 1 ATOM 913 O O . THR A 1 117 ? 3.773 -3.794 3.182 1.00 36.32 117 A 1 ATOM 914 C CB . THR A 1 117 ? 5.133 -6.219 2.140 1.00 36.02 117 A 1 ATOM 915 O OG1 . THR A 1 117 ? 5.668 -6.927 1.049 1.00 34.40 117 A 1 ATOM 916 C CG2 . THR A 1 117 ? 5.165 -7.159 3.341 1.00 33.56 117 A 1 ATOM 917 N N . ARG A 1 118 ? 2.049 -5.185 3.532 1.00 35.57 118 A 1 ATOM 918 C CA . ARG A 1 118 ? 1.569 -4.516 4.744 1.00 36.36 118 A 1 ATOM 919 C C . ARG A 1 118 ? 2.063 -5.285 5.963 1.00 36.66 118 A 1 ATOM 920 O O . ARG A 1 118 ? 1.792 -6.473 6.092 1.00 35.60 118 A 1 ATOM 921 C CB . ARG A 1 118 ? 0.040 -4.389 4.758 1.00 34.47 118 A 1 ATOM 922 C CG . ARG A 1 118 ? -0.459 -3.289 3.801 1.00 31.49 118 A 1 ATOM 923 C CD . ARG A 1 118 ? -1.985 -3.166 3.925 1.00 29.66 118 A 1 ATOM 924 N NE . ARG A 1 118 ? -2.512 -2.006 3.183 1.00 27.99 118 A 1 ATOM 925 C CZ . ARG A 1 118 ? -3.753 -1.546 3.252 1.00 26.14 118 A 1 ATOM 926 N NH1 . ARG A 1 118 ? -4.691 -2.145 3.928 1.00 25.59 118 A 1 ATOM 927 N NH2 . ARG A 1 118 ? -4.085 -0.451 2.647 1.00 24.76 118 A 1 ATOM 928 N N . LEU A 1 119 ? 2.769 -4.597 6.835 1.00 36.82 119 A 1 ATOM 929 C CA . LEU A 1 119 ? 3.117 -5.075 8.164 1.00 37.62 119 A 1 ATOM 930 C C . LEU A 1 119 ? 2.131 -4.437 9.139 1.00 37.40 119 A 1 ATOM 931 O O . LEU A 1 119 ? 2.142 -3.220 9.302 1.00 36.42 119 A 1 ATOM 932 C CB . LEU A 1 119 ? 4.581 -4.712 8.483 1.00 36.45 119 A 1 ATOM 933 C CG . LEU A 1 119 ? 5.617 -5.324 7.519 1.00 34.13 119 A 1 ATOM 934 C CD1 . LEU A 1 119 ? 7.013 -4.794 7.848 1.00 31.86 119 A 1 ATOM 935 C CD2 . LEU A 1 119 ? 5.663 -6.840 7.617 1.00 32.05 119 A 1 ATOM 936 N N . ALA A 1 120 ? 1.266 -5.235 9.741 1.00 36.87 120 A 1 ATOM 937 C CA . ALA A 1 120 ? 0.402 -4.815 10.834 1.00 37.13 120 A 1 ATOM 938 C C . ALA A 1 120 ? 0.868 -5.513 12.113 1.00 36.92 120 A 1 ATOM 939 O O . ALA A 1 120 ? 1.263 -6.673 12.069 1.00 35.53 120 A 1 ATOM 940 C CB . ALA A 1 120 ? -1.060 -5.114 10.478 1.00 35.19 120 A 1 ATOM 941 N N . PHE A 1 121 ? 0.845 -4.815 13.228 1.00 34.40 121 A 1 ATOM 942 C CA . PHE A 1 121 ? 1.056 -5.416 14.538 1.00 34.77 121 A 1 ATOM 943 C C . PHE A 1 121 ? -0.292 -5.473 15.241 1.00 34.50 121 A 1 ATOM 944 O O . PHE A 1 121 ? -1.023 -4.485 15.221 1.00 33.61 121 A 1 ATOM 945 C CB . PHE A 1 121 ? 2.113 -4.640 15.325 1.00 33.57 121 A 1 ATOM 946 C CG . PHE A 1 121 ? 3.496 -4.698 14.696 1.00 31.56 121 A 1 ATOM 947 C CD1 . PHE A 1 121 ? 4.392 -5.719 15.057 1.00 29.36 121 A 1 ATOM 948 C CD2 . PHE A 1 121 ? 3.876 -3.749 13.727 1.00 29.99 121 A 1 ATOM 949 C CE1 . PHE A 1 121 ? 5.664 -5.786 14.458 1.00 27.76 121 A 1 ATOM 950 C CE2 . PHE A 1 121 ? 5.145 -3.821 13.123 1.00 28.08 121 A 1 ATOM 951 C CZ . PHE A 1 121 ? 6.040 -4.838 13.493 1.00 27.65 121 A 1 ATOM 952 N N . ASP A 1 122 ? -0.639 -6.625 15.808 1.00 34.54 122 A 1 ATOM 953 C CA . ASP A 1 122 ? -1.825 -6.729 16.649 1.00 35.65 122 A 1 ATOM 954 C C . ASP A 1 122 ? -1.574 -6.135 18.047 1.00 35.64 122 A 1 ATOM 955 O O . ASP A 1 122 ? -0.450 -5.762 18.403 1.00 34.52 122 A 1 ATOM 956 C CB . ASP A 1 122 ? -2.365 -8.173 16.662 1.00 34.23 122 A 1 ATOM 957 C CG . ASP A 1 122 ? -1.479 -9.201 17.371 1.00 31.86 122 A 1 ATOM 958 O OD1 . ASP A 1 122 ? -0.591 -8.797 18.151 1.00 29.52 122 A 1 ATOM 959 O OD2 . ASP A 1 122 ? -1.708 -10.405 17.130 1.00 30.20 122 A 1 ATOM 960 N N . ASP A 1 123 ? -2.630 -6.054 18.845 1.00 37.17 123 A 1 ATOM 961 C CA . ASP A 1 123 ? -2.590 -5.495 20.201 1.00 38.45 123 A 1 ATOM 962 C C . ASP A 1 123 ? -1.654 -6.266 21.156 1.00 38.40 123 A 1 ATOM 963 O O . ASP A 1 123 ? -1.218 -5.736 22.182 1.00 36.50 123 A 1 ATOM 964 C CB . ASP A 1 123 ? -4.015 -5.479 20.781 1.00 36.50 123 A 1 ATOM 965 C CG . ASP A 1 123 ? -4.985 -4.516 20.080 1.00 33.47 123 A 1 ATOM 966 O OD1 . ASP A 1 123 ? -4.514 -3.505 19.513 1.00 31.04 123 A 1 ATOM 967 O OD2 . ASP A 1 123 ? -6.207 -4.771 20.184 1.00 31.21 123 A 1 ATOM 968 N N . ASP A 1 124 ? -1.316 -7.512 20.816 1.00 35.23 124 A 1 ATOM 969 C CA . ASP A 1 124 ? -0.401 -8.368 21.568 1.00 36.45 124 A 1 ATOM 970 C C . ASP A 1 124 ? 1.057 -8.245 21.071 1.00 36.58 124 A 1 ATOM 971 O O . ASP A 1 124 ? 1.980 -8.816 21.663 1.00 35.13 124 A 1 ATOM 972 C CB . ASP A 1 124 ? -0.932 -9.813 21.547 1.00 34.92 124 A 1 ATOM 973 C CG . ASP A 1 124 ? -2.220 -10.028 22.371 1.00 32.17 124 A 1 ATOM 974 O OD1 . ASP A 1 124 ? -2.301 -9.477 23.502 1.00 30.35 124 A 1 ATOM 975 O OD2 . ASP A 1 124 ? -3.076 -10.834 21.944 1.00 30.56 124 A 1 ATOM 976 N N . GLY A 1 125 ? 1.286 -7.447 20.035 1.00 33.00 125 A 1 ATOM 977 C CA . GLY A 1 125 ? 2.596 -7.168 19.446 1.00 32.89 125 A 1 ATOM 978 C C . GLY A 1 125 ? 3.060 -8.207 18.422 1.00 33.84 125 A 1 ATOM 979 O O . GLY A 1 125 ? 4.243 -8.209 18.065 1.00 32.44 125 A 1 ATOM 980 N N . TYR A 1 126 ? 2.166 -9.078 17.948 1.00 30.60 126 A 1 ATOM 981 C CA . TYR A 1 126 ? 2.456 -10.000 16.859 1.00 30.99 126 A 1 ATOM 982 C C . TYR A 1 126 ? 2.350 -9.295 15.512 1.00 31.94 126 A 1 ATOM 983 O O . TYR A 1 126 ? 1.457 -8.490 15.263 1.00 31.52 126 A 1 ATOM 984 C CB . TYR A 1 126 ? 1.549 -11.236 16.911 1.00 29.48 126 A 1 ATOM 985 C CG . TYR A 1 126 ? 1.755 -12.096 18.136 1.00 26.95 126 A 1 ATOM 986 C CD1 . TYR A 1 126 ? 2.853 -12.976 18.197 1.00 24.68 126 A 1 ATOM 987 C CD2 . TYR A 1 126 ? 0.864 -12.008 19.221 1.00 24.51 126 A 1 ATOM 988 C CE1 . TYR A 1 126 ? 3.059 -13.767 19.343 1.00 22.96 126 A 1 ATOM 989 C CE2 . TYR A 1 126 ? 1.070 -12.796 20.369 1.00 23.57 126 A 1 ATOM 990 C CZ . TYR A 1 126 ? 2.169 -13.676 20.430 1.00 23.15 126 A 1 ATOM 991 O OH . TYR A 1 126 ? 2.374 -14.430 21.542 1.00 22.12 126 A 1 ATOM 992 N N . MET A 1 127 ? 3.287 -9.597 14.635 1.00 33.12 127 A 1 ATOM 993 C CA . MET A 1 127 ? 3.330 -9.025 13.297 1.00 34.06 127 A 1 ATOM 994 C C . MET A 1 127 ? 2.489 -9.867 12.343 1.00 34.82 127 A 1 ATOM 995 O O . MET A 1 127 ? 2.855 -10.993 12.012 1.00 34.45 127 A 1 ATOM 996 C CB . MET A 1 127 ? 4.792 -8.923 12.852 1.00 33.10 127 A 1 ATOM 997 C CG . MET A 1 127 ? 4.932 -8.212 11.502 1.00 30.33 127 A 1 ATOM 998 S SD . MET A 1 127 ? 6.650 -8.104 10.929 1.00 28.45 127 A 1 ATOM 999 C CE . MET A 1 127 ? 6.969 -9.843 10.535 1.00 27.30 127 A 1 ATOM 1000 N N . THR A 1 128 ? 1.422 -9.304 11.828 1.00 34.53 128 A 1 ATOM 1001 C CA . THR A 1 128 ? 0.639 -9.873 10.728 1.00 34.90 128 A 1 ATOM 1002 C C . THR A 1 128 ? 1.111 -9.256 9.422 1.00 35.03 128 A 1 ATOM 1003 O O . THR A 1 128 ? 1.072 -8.038 9.232 1.00 33.91 128 A 1 ATOM 1004 C CB . THR A 1 128 ? -0.865 -9.655 10.930 1.00 33.47 128 A 1 ATOM 1005 O OG1 . THR A 1 128 ? -1.264 -10.195 12.158 1.00 31.21 128 A 1 ATOM 1006 C CG2 . THR A 1 128 ? -1.693 -10.353 9.851 1.00 30.43 128 A 1 ATOM 1007 N N . VAL A 1 129 ? 1.573 -10.102 8.502 1.00 37.05 129 A 1 ATOM 1008 C CA . VAL A 1 129 ? 1.973 -9.656 7.165 1.00 37.41 129 A 1 ATOM 1009 C C . VAL A 1 129 ? 0.828 -9.931 6.205 1.00 37.04 129 A 1 ATOM 1010 O O . VAL A 1 129 ? 0.478 -11.084 5.971 1.00 35.88 129 A 1 ATOM 1011 C CB . VAL A 1 129 ? 3.282 -10.309 6.695 1.00 36.23 129 A 1 ATOM 1012 C CG1 . VAL A 1 129 ? 3.755 -9.644 5.397 1.00 33.99 129 A 1 ATOM 1013 C CG2 . VAL A 1 129 ? 4.393 -10.179 7.744 1.00 33.43 129 A 1 ATOM 1014 N N . ARG A 1 130 ? 0.254 -8.889 5.623 1.00 35.70 130 A 1 ATOM 1015 C CA . ARG A 1 130 ? -0.701 -9.024 4.517 1.00 36.08 130 A 1 ATOM 1016 C C . ARG A 1 130 ? 0.024 -8.747 3.205 1.00 36.13 130 A 1 ATOM 1017 O O . ARG A 1 130 ? 0.526 -7.648 2.974 1.00 34.85 130 A 1 ATOM 1018 C CB . ARG A 1 130 ? -1.928 -8.124 4.713 1.00 34.00 130 A 1 ATOM 1019 C CG . ARG A 1 130 ? -2.823 -8.632 5.857 1.00 31.15 130 A 1 ATOM 1020 C CD . ARG A 1 130 ? -4.128 -7.827 5.915 1.00 29.45 130 A 1 ATOM 1021 N NE . ARG A 1 130 ? -5.031 -8.331 6.962 1.00 27.65 130 A 1 ATOM 1022 C CZ . ARG A 1 130 ? -6.219 -7.839 7.285 1.00 25.92 130 A 1 ATOM 1023 N NH1 . ARG A 1 130 ? -6.736 -6.815 6.667 1.00 25.68 130 A 1 ATOM 1024 N NH2 . ARG A 1 130 ? -6.909 -8.373 8.254 1.00 24.60 130 A 1 ATOM 1025 N N . LEU A 1 131 ? 0.084 -9.772 2.372 1.00 36.32 131 A 1 ATOM 1026 C CA . LEU A 1 131 ? 0.686 -9.705 1.052 1.00 36.71 131 A 1 ATOM 1027 C C . LEU A 1 131 ? -0.400 -9.389 0.031 1.00 36.56 131 A 1 ATOM 1028 O O . LEU A 1 131 ? -1.458 -10.019 0.028 1.00 35.35 131 A 1 ATOM 1029 C CB . LEU A 1 131 ? 1.404 -11.030 0.757 1.00 34.96 131 A 1 ATOM 1030 C CG . LEU A 1 131 ? 2.572 -11.317 1.718 1.00 32.67 131 A 1 ATOM 1031 C CD1 . LEU A 1 131 ? 2.996 -12.767 1.604 1.00 30.48 131 A 1 ATOM 1032 C CD2 . LEU A 1 131 ? 3.779 -10.428 1.425 1.00 30.75 131 A 1 ATOM 1033 N N . ASP A 1 132 ? -0.140 -8.433 -0.834 1.00 36.67 132 A 1 ATOM 1034 C CA . ASP A 1 132 ? -0.970 -8.194 -2.014 1.00 37.02 132 A 1 ATOM 1035 C C . ASP A 1 132 ? -0.884 -9.403 -2.968 1.00 37.08 132 A 1 ATOM 1036 O O . ASP A 1 132 ? 0.150 -10.073 -3.053 1.00 35.73 132 A 1 ATOM 1037 C CB . ASP A 1 132 ? -0.520 -6.876 -2.672 1.00 34.91 132 A 1 ATOM 1038 C CG . ASP A 1 132 ? -1.440 -6.332 -3.772 1.00 32.11 132 A 1 ATOM 1039 O OD1 . ASP A 1 132 ? -2.405 -7.030 -4.150 1.00 30.16 132 A 1 ATOM 1040 O OD2 . ASP A 1 132 ? -1.138 -5.221 -4.259 1.00 30.13 132 A 1 ATOM 1041 N N . GLN A 1 133 ? -1.942 -9.661 -3.726 1.00 32.20 133 A 1 ATOM 1042 C CA . GLN A 1 133 ? -2.029 -10.712 -4.751 1.00 32.29 133 A 1 ATOM 1043 C C . GLN A 1 133 ? -0.920 -10.625 -5.818 1.00 32.68 133 A 1 ATOM 1044 O O . GLN A 1 133 ? -0.716 -11.567 -6.581 1.00 31.39 133 A 1 ATOM 1045 C CB . GLN A 1 133 ? -3.393 -10.631 -5.445 1.00 30.09 133 A 1 ATOM 1046 C CG . GLN A 1 133 ? -4.570 -11.028 -4.542 1.00 27.38 133 A 1 ATOM 1047 C CD . GLN A 1 133 ? -5.905 -11.054 -5.290 1.00 25.35 133 A 1 ATOM 1048 O OE1 . GLN A 1 133 ? -6.038 -10.637 -6.432 1.00 24.57 133 A 1 ATOM 1049 N NE2 . GLN A 1 133 ? -6.956 -11.556 -4.675 1.00 23.88 133 A 1 ATOM 1050 N N . GLN A 1 134 ? -0.205 -9.512 -5.891 1.00 32.83 134 A 1 ATOM 1051 C CA . GLN A 1 134 ? 0.908 -9.279 -6.813 1.00 33.23 134 A 1 ATOM 1052 C C . GLN A 1 134 ? 2.292 -9.522 -6.193 1.00 33.87 134 A 1 ATOM 1053 O O . GLN A 1 134 ? 3.298 -9.361 -6.886 1.00 32.84 134 A 1 ATOM 1054 C CB . GLN A 1 134 ? 0.806 -7.863 -7.395 1.00 30.70 134 A 1 ATOM 1055 C CG . GLN A 1 134 ? -0.505 -7.666 -8.168 1.00 27.49 134 A 1 ATOM 1056 C CD . GLN A 1 134 ? -0.558 -6.357 -8.948 1.00 25.34 134 A 1 ATOM 1057 O OE1 . GLN A 1 134 ? 0.397 -5.616 -9.119 1.00 24.13 134 A 1 ATOM 1058 N NE2 . GLN A 1 134 ? -1.704 -6.029 -9.504 1.00 23.82 134 A 1 ATOM 1059 N N . ALA A 1 135 ? 2.372 -9.910 -4.924 1.00 38.99 135 A 1 ATOM 1060 C CA . ALA A 1 135 ? 3.639 -10.274 -4.310 1.00 39.35 135 A 1 ATOM 1061 C C . ALA A 1 135 ? 4.169 -11.582 -4.927 1.00 39.21 135 A 1 ATOM 1062 O O . ALA A 1 135 ? 3.435 -12.554 -5.095 1.00 37.77 135 A 1 ATOM 1063 C CB . ALA A 1 135 ? 3.469 -10.340 -2.790 1.00 37.23 135 A 1 ATOM 1064 N N . TYR A 1 136 ? 5.456 -11.606 -5.279 1.00 38.17 136 A 1 ATOM 1065 C CA . TYR A 1 136 ? 6.117 -12.787 -5.837 1.00 39.04 136 A 1 ATOM 1066 C C . TYR A 1 136 ? 6.942 -13.507 -4.763 1.00 39.52 136 A 1 ATOM 1067 O O . TYR A 1 136 ? 7.595 -12.849 -3.953 1.00 37.85 136 A 1 ATOM 1068 C CB . TYR A 1 136 ? 6.980 -12.405 -7.045 1.00 35.56 136 A 1 ATOM 1069 C CG . TYR A 1 136 ? 6.167 -12.032 -8.272 1.00 32.49 136 A 1 ATOM 1070 C CD1 . TYR A 1 136 ? 5.733 -13.032 -9.168 1.00 29.92 136 A 1 ATOM 1071 C CD2 . TYR A 1 136 ? 5.813 -10.687 -8.500 1.00 29.84 136 A 1 ATOM 1072 C CE1 . TYR A 1 136 ? 4.951 -12.693 -10.289 1.00 27.47 136 A 1 ATOM 1073 C CE2 . TYR A 1 136 ? 5.026 -10.343 -9.616 1.00 27.95 136 A 1 ATOM 1074 C CZ . TYR A 1 136 ? 4.596 -11.345 -10.514 1.00 27.55 136 A 1 ATOM 1075 O OH . TYR A 1 136 ? 3.834 -11.011 -11.591 1.00 25.97 136 A 1 ATOM 1076 N N . PRO A 1 137 ? 6.964 -14.857 -4.756 1.00 43.48 137 A 1 ATOM 1077 C CA . PRO A 1 137 ? 7.781 -15.607 -3.813 1.00 44.90 137 A 1 ATOM 1078 C C . PRO A 1 137 ? 9.272 -15.358 -4.052 1.00 46.22 137 A 1 ATOM 1079 O O . PRO A 1 137 ? 9.729 -15.357 -5.193 1.00 44.84 137 A 1 ATOM 1080 C CB . PRO A 1 137 ? 7.422 -17.071 -4.043 1.00 42.58 137 A 1 ATOM 1081 C CG . PRO A 1 137 ? 6.930 -17.116 -5.489 1.00 41.07 137 A 1 ATOM 1082 C CD . PRO A 1 137 ? 6.273 -15.758 -5.669 1.00 42.51 137 A 1 ATOM 1083 N N . ASP A 1 138 ? 10.044 -15.247 -2.980 1.00 47.08 138 A 1 ATOM 1084 C CA . ASP A 1 138 ? 11.510 -15.193 -3.063 1.00 48.84 138 A 1 ATOM 1085 C C . ASP A 1 138 ? 12.106 -16.561 -3.425 1.00 49.93 138 A 1 ATOM 1086 O O . ASP A 1 138 ? 13.147 -16.650 -4.075 1.00 47.72 138 A 1 ATOM 1087 C CB . ASP A 1 138 ? 12.096 -14.749 -1.718 1.00 45.68 138 A 1 ATOM 1088 C CG . ASP A 1 138 ? 11.849 -13.279 -1.400 1.00 42.00 138 A 1 ATOM 1089 O OD1 . ASP A 1 138 ? 12.624 -12.437 -1.914 1.00 39.23 138 A 1 ATOM 1090 O OD2 . ASP A 1 138 ? 10.977 -13.019 -0.550 1.00 39.46 138 A 1 ATOM 1091 N N . TYR A 1 139 ? 11.465 -17.648 -2.982 1.00 45.40 139 A 1 ATOM 1092 C CA . TYR A 1 139 ? 11.979 -19.010 -3.127 1.00 46.47 139 A 1 ATOM 1093 C C . TYR A 1 139 ? 10.866 -20.062 -3.002 1.00 47.31 139 A 1 ATOM 1094 O O . TYR A 1 139 ? 9.967 -19.938 -2.183 1.00 45.70 139 A 1 ATOM 1095 C CB . TYR A 1 139 ? 13.063 -19.221 -2.056 1.00 43.30 139 A 1 ATOM 1096 C CG . TYR A 1 139 ? 13.631 -20.625 -1.983 1.00 39.78 139 A 1 ATOM 1097 C CD1 . TYR A 1 139 ? 13.322 -21.454 -0.887 1.00 36.71 139 A 1 ATOM 1098 C CD2 . TYR A 1 139 ? 14.455 -21.113 -3.016 1.00 37.07 139 A 1 ATOM 1099 C CE1 . TYR A 1 139 ? 13.833 -22.762 -0.822 1.00 33.56 139 A 1 ATOM 1100 C CE2 . TYR A 1 139 ? 14.964 -22.426 -2.958 1.00 34.56 139 A 1 ATOM 1101 C CZ . TYR A 1 139 ? 14.650 -23.252 -1.858 1.00 33.16 139 A 1 ATOM 1102 O OH . TYR A 1 139 ? 15.124 -24.528 -1.797 1.00 31.86 139 A 1 ATOM 1103 N N . ARG A 1 140 ? 10.982 -21.154 -3.782 1.00 49.69 140 A 1 ATOM 1104 C CA . ARG A 1 140 ? 10.186 -22.380 -3.598 1.00 52.09 140 A 1 ATOM 1105 C C . ARG A 1 140 ? 11.092 -23.481 -3.040 1.00 51.19 140 A 1 ATOM 1106 O O . ARG A 1 140 ? 12.119 -23.766 -3.665 1.00 49.63 140 A 1 ATOM 1107 C CB . ARG A 1 140 ? 9.508 -22.821 -4.907 1.00 50.93 140 A 1 ATOM 1108 C CG . ARG A 1 140 ? 8.332 -21.907 -5.297 1.00 47.12 140 A 1 ATOM 1109 C CD . ARG A 1 140 ? 7.573 -22.459 -6.512 1.00 46.80 140 A 1 ATOM 1110 N NE . ARG A 1 140 ? 6.377 -21.644 -6.847 1.00 45.15 140 A 1 ATOM 1111 C CZ . ARG A 1 140 ? 5.099 -22.008 -6.779 1.00 42.09 140 A 1 ATOM 1112 N NH1 . ARG A 1 140 ? 4.707 -23.197 -6.430 1.00 41.16 140 A 1 ATOM 1113 N NH2 . ARG A 1 140 ? 4.155 -21.171 -7.064 1.00 39.94 140 A 1 ATOM 1114 N N . PRO A 1 141 ? 10.761 -24.100 -1.902 1.00 49.67 141 A 1 ATOM 1115 C CA . PRO A 1 141 ? 11.567 -25.171 -1.328 1.00 50.77 141 A 1 ATOM 1116 C C . PRO A 1 141 ? 11.725 -26.355 -2.292 1.00 51.65 141 A 1 ATOM 1117 O O . PRO A 1 141 ? 10.782 -26.776 -2.956 1.00 50.07 141 A 1 ATOM 1118 C CB . PRO A 1 141 ? 10.866 -25.578 -0.028 1.00 48.30 141 A 1 ATOM 1119 C CG . PRO A 1 141 ? 10.033 -24.357 0.350 1.00 46.21 141 A 1 ATOM 1120 C CD . PRO A 1 141 ? 9.658 -23.756 -1.002 1.00 48.84 141 A 1 ATOM 1121 N N . GLU A 1 142 ? 12.940 -26.919 -2.380 1.00 53.03 142 A 1 ATOM 1122 C CA . GLU A 1 142 ? 13.170 -28.117 -3.194 1.00 54.56 142 A 1 ATOM 1123 C C . GLU A 1 142 ? 12.346 -29.296 -2.654 1.00 54.32 142 A 1 ATOM 1124 O O . GLU A 1 142 ? 12.503 -29.700 -1.506 1.00 51.55 142 A 1 ATOM 1125 C CB . GLU A 1 142 ? 14.662 -28.500 -3.245 1.00 52.96 142 A 1 ATOM 1126 C CG . GLU A 1 142 ? 15.529 -27.555 -4.100 1.00 47.60 142 A 1 ATOM 1127 C CD . GLU A 1 142 ? 16.984 -28.049 -4.274 1.00 44.18 142 A 1 ATOM 1128 O OE1 . GLU A 1 142 ? 17.705 -27.466 -5.115 1.00 42.06 142 A 1 ATOM 1129 O OE2 . GLU A 1 142 ? 17.383 -29.027 -3.594 1.00 43.11 142 A 1 ATOM 1130 N N . ASN A 1 143 ? 11.542 -29.907 -3.519 1.00 55.60 143 A 1 ATOM 1131 C CA . ASN A 1 143 ? 10.638 -31.035 -3.231 1.00 56.52 143 A 1 ATOM 1132 C C . ASN A 1 143 ? 9.381 -30.697 -2.412 1.00 57.05 143 A 1 ATOM 1133 O O . ASN A 1 143 ? 8.731 -31.619 -1.917 1.00 54.18 143 A 1 ATOM 1134 C CB . ASN A 1 143 ? 11.387 -32.252 -2.646 1.00 54.26 143 A 1 ATOM 1135 C CG . ASN A 1 143 ? 12.715 -32.539 -3.300 1.00 50.29 143 A 1 ATOM 1136 O OD1 . ASN A 1 143 ? 12.807 -33.019 -4.417 1.00 47.06 143 A 1 ATOM 1137 N ND2 . ASN A 1 143 ? 13.796 -32.245 -2.621 1.00 46.71 143 A 1 ATOM 1138 N N . ASP A 1 144 ? 9.029 -29.434 -2.319 1.00 53.51 144 A 1 ATOM 1139 C CA . ASP A 1 144 ? 7.751 -28.993 -1.767 1.00 55.59 144 A 1 ATOM 1140 C C . ASP A 1 144 ? 7.041 -28.117 -2.809 1.00 55.26 144 A 1 ATOM 1141 O O . ASP A 1 144 ? 7.407 -26.968 -3.041 1.00 53.12 144 A 1 ATOM 1142 C CB . ASP A 1 144 ? 7.988 -28.287 -0.427 1.00 54.32 144 A 1 ATOM 1143 C CG . ASP A 1 144 ? 6.689 -28.082 0.356 1.00 49.83 144 A 1 ATOM 1144 O OD1 . ASP A 1 144 ? 5.597 -28.142 -0.257 1.00 48.87 144 A 1 ATOM 1145 O OD2 . ASP A 1 144 ? 6.787 -27.897 1.589 1.00 48.71 144 A 1 ATOM 1146 N N . ASP A 1 145 ? 6.084 -28.713 -3.502 1.00 55.74 145 A 1 ATOM 1147 C CA . ASP A 1 145 ? 5.274 -28.060 -4.530 1.00 56.71 145 A 1 ATOM 1148 C C . ASP A 1 145 ? 4.038 -27.350 -3.958 1.00 57.13 145 A 1 ATOM 1149 O O . ASP A 1 145 ? 3.321 -26.682 -4.699 1.00 54.62 145 A 1 ATOM 1150 C CB . ASP A 1 145 ? 4.903 -29.078 -5.632 1.00 54.24 145 A 1 ATOM 1151 C CG . ASP A 1 145 ? 4.113 -30.321 -5.174 1.00 50.66 145 A 1 ATOM 1152 O OD1 . ASP A 1 145 ? 4.091 -30.623 -3.961 1.00 47.80 145 A 1 ATOM 1153 O OD2 . ASP A 1 145 ? 3.608 -31.046 -6.072 1.00 47.92 145 A 1 ATOM 1154 N N . LYS A 1 146 ? 3.829 -27.482 -2.652 1.00 53.12 146 A 1 ATOM 1155 C CA . LYS A 1 146 ? 2.668 -26.932 -1.954 1.00 54.56 146 A 1 ATOM 1156 C C . LYS A 1 146 ? 2.965 -25.668 -1.170 1.00 55.04 146 A 1 ATOM 1157 O O . LYS A 1 146 ? 2.022 -25.014 -0.744 1.00 52.52 146 A 1 ATOM 1158 C CB . LYS A 1 146 ? 2.113 -27.972 -0.990 1.00 52.60 146 A 1 ATOM 1159 C CG . LYS A 1 146 ? 1.557 -29.179 -1.733 1.00 48.35 146 A 1 ATOM 1160 C CD . LYS A 1 146 ? 0.894 -30.076 -0.702 1.00 46.80 146 A 1 ATOM 1161 C CE . LYS A 1 146 ? 0.238 -31.247 -1.413 1.00 43.36 146 A 1 ATOM 1162 N NZ . LYS A 1 146 ? -0.603 -31.966 -0.441 1.00 39.41 146 A 1 ATOM 1163 N N . HIS A 1 147 ? 4.232 -25.359 -0.918 1.00 50.72 147 A 1 ATOM 1164 C CA . HIS A 1 147 ? 4.591 -24.208 -0.110 1.00 52.71 147 A 1 ATOM 1165 C C . HIS A 1 147 ? 5.477 -23.234 -0.876 1.00 53.00 147 A 1 ATOM 1166 O O . HIS A 1 147 ? 6.351 -23.595 -1.664 1.00 52.01 147 A 1 ATOM 1167 C CB . HIS A 1 147 ? 5.206 -24.636 1.224 1.00 50.77 147 A 1 ATOM 1168 C CG . HIS A 1 147 ? 4.319 -25.542 2.044 1.00 46.79 147 A 1 ATOM 1169 N ND1 . HIS A 1 147 ? 4.308 -26.912 1.983 1.00 44.14 147 A 1 ATOM 1170 C CD2 . HIS A 1 147 ? 3.381 -25.176 2.968 1.00 44.22 147 A 1 ATOM 1171 C CE1 . HIS A 1 147 ? 3.383 -27.358 2.847 1.00 42.87 147 A 1 ATOM 1172 N NE2 . HIS A 1 147 ? 2.792 -26.331 3.481 1.00 43.10 147 A 1 ATOM 1173 N N . ILE A 1 148 ? 5.271 -21.977 -0.597 1.00 51.01 148 A 1 ATOM 1174 C CA . ILE A 1 148 ? 6.061 -20.854 -1.085 1.00 51.48 148 A 1 ATOM 1175 C C . ILE A 1 148 ? 6.751 -20.217 0.115 1.00 51.10 148 A 1 ATOM 1176 O O . ILE A 1 148 ? 6.112 -19.922 1.123 1.00 49.27 148 A 1 ATOM 1177 C CB . ILE A 1 148 ? 5.158 -19.867 -1.855 1.00 49.64 148 A 1 ATOM 1178 C CG1 . ILE A 1 148 ? 4.504 -20.557 -3.078 1.00 45.85 148 A 1 ATOM 1179 C CG2 . ILE A 1 148 ? 5.980 -18.658 -2.300 1.00 45.35 148 A 1 ATOM 1180 C CD1 . ILE A 1 148 ? 3.515 -19.668 -3.842 1.00 43.55 148 A 1 ATOM 1181 N N . MET A 1 149 ? 8.063 -19.997 0.004 1.00 49.20 149 A 1 ATOM 1182 C CA . MET A 1 149 ? 8.833 -19.245 0.992 1.00 49.99 149 A 1 ATOM 1183 C C . MET A 1 149 ? 8.744 -17.756 0.673 1.00 51.55 149 A 1 ATOM 1184 O O . MET A 1 149 ? 9.122 -17.315 -0.415 1.00 50.40 149 A 1 ATOM 1185 C CB . MET A 1 149 ? 10.290 -19.716 1.007 1.00 47.47 149 A 1 ATOM 1186 C CG . MET A 1 149 ? 11.115 -19.053 2.118 1.00 41.82 149 A 1 ATOM 1187 S SD . MET A 1 149 ? 10.728 -19.593 3.805 1.00 39.05 149 A 1 ATOM 1188 C CE . MET A 1 149 ? 11.530 -21.213 3.819 1.00 37.07 149 A 1 ATOM 1189 N N . TRP A 1 150 ? 8.307 -17.004 1.647 1.00 48.77 150 A 1 ATOM 1190 C CA . TRP A 1 150 ? 8.262 -15.551 1.600 1.00 49.16 150 A 1 ATOM 1191 C C . TRP A 1 150 ? 9.326 -14.967 2.522 1.00 48.10 150 A 1 ATOM 1192 O O . TRP A 1 150 ? 9.695 -15.572 3.528 1.00 46.44 150 A 1 ATOM 1193 C CB . TRP A 1 150 ? 6.870 -15.079 1.982 1.00 47.76 150 A 1 ATOM 1194 C CG . TRP A 1 150 ? 5.809 -15.540 1.038 1.00 45.10 150 A 1 ATOM 1195 C CD1 . TRP A 1 150 ? 5.108 -16.683 1.151 1.00 41.76 150 A 1 ATOM 1196 C CD2 . TRP A 1 150 ? 5.332 -14.894 -0.180 1.00 41.76 150 A 1 ATOM 1197 N NE1 . TRP A 1 150 ? 4.219 -16.786 0.101 1.00 39.03 150 A 1 ATOM 1198 C CE2 . TRP A 1 150 ? 4.303 -15.706 -0.745 1.00 39.81 150 A 1 ATOM 1199 C CE3 . TRP A 1 150 ? 5.648 -13.699 -0.848 1.00 39.52 150 A 1 ATOM 1200 C CZ2 . TRP A 1 150 ? 3.604 -15.338 -1.898 1.00 38.21 150 A 1 ATOM 1201 C CZ3 . TRP A 1 150 ? 4.959 -13.319 -2.009 1.00 36.98 150 A 1 ATOM 1202 C CH2 . TRP A 1 150 ? 3.933 -14.132 -2.533 1.00 36.90 150 A 1 ATOM 1203 N N . ARG A 1 151 ? 9.806 -13.788 2.167 1.00 51.24 151 A 1 ATOM 1204 C CA . ARG A 1 151 ? 10.786 -13.006 2.925 1.00 51.37 151 A 1 ATOM 1205 C C . ARG A 1 151 ? 10.284 -11.583 3.097 1.00 51.21 151 A 1 ATOM 1206 O O . ARG A 1 151 ? 9.830 -10.962 2.137 1.00 50.19 151 A 1 ATOM 1207 C CB . ARG A 1 151 ? 12.123 -13.050 2.178 1.00 49.31 151 A 1 ATOM 1208 C CG . ARG A 1 151 ? 13.235 -12.299 2.914 1.00 44.64 151 A 1 ATOM 1209 C CD . ARG A 1 151 ? 14.533 -12.275 2.102 1.00 43.19 151 A 1 ATOM 1210 N NE . ARG A 1 151 ? 14.371 -11.523 0.840 1.00 40.92 151 A 1 ATOM 1211 C CZ . ARG A 1 151 ? 15.302 -10.898 0.153 1.00 38.00 151 A 1 ATOM 1212 N NH1 . ARG A 1 151 ? 16.546 -10.887 0.535 1.00 36.76 151 A 1 ATOM 1213 N NH2 . ARG A 1 151 ? 14.973 -10.268 -0.943 1.00 35.28 151 A 1 ATOM 1214 N N . ALA A 1 152 ? 10.430 -11.046 4.296 1.00 49.64 152 A 1 ATOM 1215 C CA . ALA A 1 152 ? 10.243 -9.625 4.558 1.00 49.55 152 A 1 ATOM 1216 C C . ALA A 1 152 ? 11.368 -9.090 5.442 1.00 49.20 152 A 1 ATOM 1217 O O . ALA A 1 152 ? 11.903 -9.784 6.305 1.00 47.65 152 A 1 ATOM 1218 C CB . ALA A 1 152 ? 8.875 -9.376 5.188 1.00 47.35 152 A 1 ATOM 1219 N N . LEU A 1 153 ? 11.694 -7.828 5.235 1.00 46.57 153 A 1 ATOM 1220 C CA . LEU A 1 153 ? 12.508 -7.062 6.165 1.00 46.63 153 A 1 ATOM 1221 C C . LEU A 1 153 ? 11.563 -6.281 7.082 1.00 46.19 153 A 1 ATOM 1222 O O . LEU A 1 153 ? 10.770 -5.465 6.605 1.00 45.15 153 A 1 ATOM 1223 C CB . LEU A 1 153 ? 13.465 -6.153 5.377 1.00 44.43 153 A 1 ATOM 1224 C CG . LEU A 1 153 ? 14.743 -5.836 6.167 1.00 40.40 153 A 1 ATOM 1225 C CD1 . LEU A 1 153 ? 15.793 -6.922 5.933 1.00 37.67 153 A 1 ATOM 1226 C CD2 . LEU A 1 153 ? 15.332 -4.502 5.714 1.00 37.73 153 A 1 ATOM 1227 N N . ALA A 1 154 ? 11.630 -6.536 8.374 1.00 44.46 154 A 1 ATOM 1228 C CA . ALA A 1 154 ? 10.835 -5.833 9.373 1.00 44.28 154 A 1 ATOM 1229 C C . ALA A 1 154 ? 11.733 -4.960 10.253 1.00 43.94 154 A 1 ATOM 1230 O O . ALA A 1 154 ? 12.873 -5.303 10.549 1.00 42.77 154 A 1 ATOM 1231 C CB . ALA A 1 154 ? 10.021 -6.849 10.175 1.00 42.40 154 A 1 ATOM 1232 N N . LEU A 1 155 ? 11.212 -3.827 10.688 1.00 40.97 155 A 1 ATOM 1233 C CA . LEU A 1 155 ? 11.839 -2.983 11.697 1.00 41.07 155 A 1 ATOM 1234 C C . LEU A 1 155 ? 11.088 -3.154 13.014 1.00 40.51 155 A 1 ATOM 1235 O O . LEU A 1 155 ? 9.878 -2.963 13.077 1.00 39.42 155 A 1 ATOM 1236 C CB . LEU A 1 155 ? 11.863 -1.522 11.224 1.00 39.00 155 A 1 ATOM 1237 C CG . LEU A 1 155 ? 12.985 -1.245 10.211 1.00 35.65 155 A 1 ATOM 1238 C CD1 . LEU A 1 155 ? 12.672 0.020 9.414 1.00 33.06 155 A 1 ATOM 1239 C CD2 . LEU A 1 155 ? 14.330 -1.051 10.915 1.00 33.29 155 A 1 ATOM 1240 N N . THR A 1 156 ? 11.810 -3.496 14.068 1.00 39.24 156 A 1 ATOM 1241 C CA . THR A 1 156 ? 11.228 -3.474 15.412 1.00 39.12 156 A 1 ATOM 1242 C C . THR A 1 156 ? 10.942 -2.036 15.846 1.00 38.59 156 A 1 ATOM 1243 O O . THR A 1 156 ? 11.601 -1.095 15.402 1.00 37.72 156 A 1 ATOM 1244 C CB . THR A 1 156 ? 12.135 -4.147 16.449 1.00 37.39 156 A 1 ATOM 1245 O OG1 . THR A 1 156 ? 13.337 -3.441 16.603 1.00 34.60 156 A 1 ATOM 1246 C CG2 . THR A 1 156 ? 12.486 -5.592 16.093 1.00 33.82 156 A 1 ATOM 1247 N N . ALA A 1 157 ? 10.073 -1.866 16.826 1.00 37.63 157 A 1 ATOM 1248 C CA . ALA A 1 157 ? 9.831 -0.568 17.474 1.00 37.29 157 A 1 ATOM 1249 C C . ALA A 1 157 ? 11.101 0.079 18.076 1.00 37.57 157 A 1 ATOM 1250 O O . ALA A 1 157 ? 11.132 1.270 18.369 1.00 35.75 157 A 1 ATOM 1251 C CB . ALA A 1 157 ? 8.769 -0.782 18.556 1.00 34.31 157 A 1 ATOM 1252 N N . THR A 1 158 ? 12.175 -0.701 18.256 1.00 38.61 158 A 1 ATOM 1253 C CA . THR A 1 158 ? 13.485 -0.212 18.718 1.00 39.33 158 A 1 ATOM 1254 C C . THR A 1 158 ? 14.452 0.124 17.576 1.00 39.73 158 A 1 ATOM 1255 O O . THR A 1 158 ? 15.598 0.488 17.845 1.00 38.25 158 A 1 ATOM 1256 C CB . THR A 1 158 ? 14.129 -1.196 19.704 1.00 36.84 158 A 1 ATOM 1257 O OG1 . THR A 1 158 ? 14.350 -2.458 19.127 1.00 33.88 158 A 1 ATOM 1258 C CG2 . THR A 1 158 ? 13.269 -1.413 20.950 1.00 32.98 158 A 1 ATOM 1259 N N . GLY A 1 159 ? 14.009 0.000 16.320 1.00 43.87 159 A 1 ATOM 1260 C CA . GLY A 1 159 ? 14.797 0.303 15.126 1.00 44.59 159 A 1 ATOM 1261 C C . GLY A 1 159 ? 15.781 -0.797 14.709 1.00 46.60 159 A 1 ATOM 1262 O O . GLY A 1 159 ? 16.658 -0.536 13.892 1.00 45.05 159 A 1 ATOM 1263 N N . LYS A 1 160 ? 15.662 -2.012 15.264 1.00 43.01 160 A 1 ATOM 1264 C CA . LYS A 1 160 ? 16.445 -3.168 14.809 1.00 44.96 160 A 1 ATOM 1265 C C . LYS A 1 160 ? 15.817 -3.783 13.561 1.00 45.00 160 A 1 ATOM 1266 O O . LYS A 1 160 ? 14.603 -3.965 13.517 1.00 44.74 160 A 1 ATOM 1267 C CB . LYS A 1 160 ? 16.544 -4.241 15.891 1.00 44.66 160 A 1 ATOM 1268 C CG . LYS A 1 160 ? 17.424 -3.879 17.092 1.00 40.85 160 A 1 ATOM 1269 C CD . LYS A 1 160 ? 17.479 -5.138 17.967 1.00 39.37 160 A 1 ATOM 1270 C CE . LYS A 1 160 ? 18.489 -5.089 19.103 1.00 37.36 160 A 1 ATOM 1271 N NZ . LYS A 1 160 ? 18.619 -6.463 19.664 1.00 34.38 160 A 1 ATOM 1272 N N . GLU A 1 161 ? 16.661 -4.130 12.603 1.00 44.88 161 A 1 ATOM 1273 C CA . GLU A 1 161 ? 16.264 -4.869 11.407 1.00 46.73 161 A 1 ATOM 1274 C C . GLU A 1 161 ? 16.166 -6.368 11.706 1.00 47.47 161 A 1 ATOM 1275 O O . GLU A 1 161 ? 17.082 -6.974 12.274 1.00 46.96 161 A 1 ATOM 1276 C CB . GLU A 1 161 ? 17.236 -4.591 10.259 1.00 45.72 161 A 1 ATOM 1277 C CG . GLU A 1 161 ? 17.036 -3.170 9.708 1.00 40.74 161 A 1 ATOM 1278 C CD . GLU A 1 161 ? 18.007 -2.778 8.592 1.00 38.63 161 A 1 ATOM 1279 O OE1 . GLU A 1 161 ? 17.767 -1.692 8.016 1.00 37.49 161 A 1 ATOM 1280 O OE2 . GLU A 1 161 ? 19.006 -3.489 8.366 1.00 37.08 161 A 1 ATOM 1281 N N . LEU A 1 162 ? 15.050 -6.956 11.304 1.00 43.13 162 A 1 ATOM 1282 C CA . LEU A 1 162 ? 14.770 -8.381 11.362 1.00 44.36 162 A 1 ATOM 1283 C C . LEU A 1 162 ? 14.492 -8.876 9.948 1.00 44.93 162 A 1 ATOM 1284 O O . LEU A 1 162 ? 13.670 -8.298 9.240 1.00 44.22 162 A 1 ATOM 1285 C CB . LEU A 1 162 ? 13.556 -8.642 12.266 1.00 42.27 162 A 1 ATOM 1286 C CG . LEU A 1 162 ? 13.742 -8.256 13.744 1.00 38.55 162 A 1 ATOM 1287 C CD1 . LEU A 1 162 ? 12.427 -8.493 14.481 1.00 35.34 162 A 1 ATOM 1288 C CD2 . LEU A 1 162 ? 14.829 -9.083 14.432 1.00 35.36 162 A 1 ATOM 1289 N N . GLU A 1 163 ? 15.152 -9.957 9.563 1.00 46.95 163 A 1 ATOM 1290 C CA . GLU A 1 163 ? 14.779 -10.695 8.359 1.00 48.18 163 A 1 ATOM 1291 C C . GLU A 1 163 ? 13.839 -11.828 8.771 1.00 47.90 163 A 1 ATOM 1292 O O . GLU A 1 163 ? 14.202 -12.691 9.578 1.00 47.53 163 A 1 ATOM 1293 C CB . GLU A 1 163 ? 16.039 -11.163 7.629 1.00 47.60 163 A 1 ATOM 1294 C CG . GLU A 1 163 ? 15.728 -11.604 6.190 1.00 43.27 163 A 1 ATOM 1295 C CD . GLU A 1 163 ? 16.997 -11.949 5.391 1.00 41.10 163 A 1 ATOM 1296 O OE1 . GLU A 1 163 ? 16.967 -11.805 4.153 1.00 40.28 163 A 1 ATOM 1297 O OE2 . GLU A 1 163 ? 17.983 -12.423 5.999 1.00 40.20 163 A 1 ATOM 1298 N N . VAL A 1 164 ? 12.615 -11.792 8.259 1.00 44.69 164 A 1 ATOM 1299 C CA . VAL A 1 164 ? 11.541 -12.722 8.599 1.00 44.93 164 A 1 ATOM 1300 C C . VAL A 1 164 ? 11.275 -13.604 7.393 1.00 45.27 164 A 1 ATOM 1301 O O . VAL A 1 164 ? 11.081 -13.108 6.285 1.00 44.01 164 A 1 ATOM 1302 C CB . VAL A 1 164 ? 10.268 -11.982 9.052 1.00 42.79 164 A 1 ATOM 1303 C CG1 . VAL A 1 164 ? 9.215 -12.973 9.562 1.00 38.96 164 A 1 ATOM 1304 C CG2 . VAL A 1 164 ? 10.563 -10.985 10.181 1.00 37.68 164 A 1 ATOM 1305 N N . PHE A 1 165 ? 11.267 -14.914 7.627 1.00 44.27 165 A 1 ATOM 1306 C CA . PHE A 1 165 ? 10.933 -15.913 6.619 1.00 44.75 165 A 1 ATOM 1307 C C . PHE A 1 165 ? 9.710 -16.702 7.068 1.00 44.68 165 A 1 ATOM 1308 O O . PHE A 1 165 ? 9.631 -17.113 8.227 1.00 43.85 165 A 1 ATOM 1309 C CB . PHE A 1 165 ? 12.110 -16.863 6.384 1.00 42.76 165 A 1 ATOM 1310 C CG . PHE A 1 165 ? 13.368 -16.201 5.875 1.00 38.88 165 A 1 ATOM 1311 C CD1 . PHE A 1 165 ? 13.613 -16.112 4.489 1.00 36.18 165 A 1 ATOM 1312 C CD2 . PHE A 1 165 ? 14.306 -15.687 6.789 1.00 36.47 165 A 1 ATOM 1313 C CE1 . PHE A 1 165 ? 14.798 -15.523 4.022 1.00 33.70 165 A 1 ATOM 1314 C CE2 . PHE A 1 165 ? 15.488 -15.095 6.319 1.00 34.65 165 A 1 ATOM 1315 C CZ . PHE A 1 165 ? 15.736 -15.017 4.934 1.00 33.65 165 A 1 ATOM 1316 N N . TRP A 1 166 ? 8.790 -16.980 6.145 1.00 44.33 166 A 1 ATOM 1317 C CA . TRP A 1 166 ? 7.653 -17.844 6.433 1.00 45.28 166 A 1 ATOM 1318 C C . TRP A 1 166 ? 7.250 -18.660 5.203 1.00 45.24 166 A 1 ATOM 1319 O O . TRP A 1 166 ? 7.454 -18.257 4.061 1.00 43.80 166 A 1 ATOM 1320 C CB . TRP A 1 166 ? 6.484 -17.030 6.989 1.00 43.75 166 A 1 ATOM 1321 C CG . TRP A 1 166 ? 5.885 -16.026 6.057 1.00 41.40 166 A 1 ATOM 1322 C CD1 . TRP A 1 166 ? 4.777 -16.210 5.304 1.00 37.94 166 A 1 ATOM 1323 C CD2 . TRP A 1 166 ? 6.347 -14.666 5.779 1.00 38.08 166 A 1 ATOM 1324 N NE1 . TRP A 1 166 ? 4.513 -15.065 4.584 1.00 35.08 166 A 1 ATOM 1325 C CE2 . TRP A 1 166 ? 5.454 -14.079 4.832 1.00 36.03 166 A 1 ATOM 1326 C CE3 . TRP A 1 166 ? 7.418 -13.876 6.225 1.00 35.78 166 A 1 ATOM 1327 C CZ2 . TRP A 1 166 ? 5.623 -12.779 4.347 1.00 34.25 166 A 1 ATOM 1328 C CZ3 . TRP A 1 166 ? 7.600 -12.564 5.750 1.00 33.18 166 A 1 ATOM 1329 C CH2 . TRP A 1 166 ? 6.705 -12.020 4.806 1.00 33.35 166 A 1 ATOM 1330 N N . LEU A 1 167 ? 6.698 -19.843 5.471 1.00 47.30 167 A 1 ATOM 1331 C CA . LEU A 1 167 ? 6.145 -20.730 4.458 1.00 47.99 167 A 1 ATOM 1332 C C . LEU A 1 167 ? 4.639 -20.500 4.361 1.00 48.14 167 A 1 ATOM 1333 O O . LEU A 1 167 ? 3.957 -20.470 5.380 1.00 46.55 167 A 1 ATOM 1334 C CB . LEU A 1 167 ? 6.468 -22.190 4.810 1.00 45.28 167 A 1 ATOM 1335 C CG . LEU A 1 167 ? 7.927 -22.582 4.532 1.00 40.37 167 A 1 ATOM 1336 C CD1 . LEU A 1 167 ? 8.269 -23.884 5.252 1.00 37.53 167 A 1 ATOM 1337 C CD2 . LEU A 1 167 ? 8.176 -22.796 3.039 1.00 38.14 167 A 1 ATOM 1338 N N . VAL A 1 168 ? 4.148 -20.385 3.149 1.00 49.11 168 A 1 ATOM 1339 C CA . VAL A 1 168 ? 2.720 -20.253 2.840 1.00 50.34 168 A 1 ATOM 1340 C C . VAL A 1 168 ? 2.306 -21.434 1.974 1.00 50.24 168 A 1 ATOM 1341 O O . VAL A 1 168 ? 3.021 -21.769 1.035 1.00 48.66 168 A 1 ATOM 1342 C CB . VAL A 1 168 ? 2.425 -18.931 2.118 1.00 48.14 168 A 1 ATOM 1343 C CG1 . VAL A 1 168 ? 0.915 -18.698 1.980 1.00 44.06 168 A 1 ATOM 1344 C CG2 . VAL A 1 168 ? 3.032 -17.732 2.858 1.00 43.14 168 A 1 ATOM 1345 N N . GLU A 1 169 ? 1.186 -22.063 2.274 1.00 51.85 169 A 1 ATOM 1346 C CA . GLU A 1 169 ? 0.615 -23.081 1.387 1.00 53.26 169 A 1 ATOM 1347 C C . GLU A 1 169 ? 0.124 -22.437 0.079 1.00 53.33 169 A 1 ATOM 1348 O O . GLU A 1 169 ? -0.618 -21.453 0.089 1.00 51.18 169 A 1 ATOM 1349 C CB . GLU A 1 169 ? -0.496 -23.884 2.082 1.00 51.45 169 A 1 ATOM 1350 C CG . GLU A 1 169 ? 0.054 -24.828 3.169 1.00 46.40 169 A 1 ATOM 1351 C CD . GLU A 1 169 ? -0.988 -25.786 3.763 1.00 43.68 169 A 1 ATOM 1352 O OE1 . GLU A 1 169 ? -0.574 -26.844 4.306 1.00 42.44 169 A 1 ATOM 1353 O OE2 . GLU A 1 169 ? -2.202 -25.507 3.661 1.00 42.48 169 A 1 ATOM 1354 N N . ASP A 1 170 ? 0.577 -23.000 -1.041 1.00 50.85 170 A 1 ATOM 1355 C CA . ASP A 1 170 ? 0.195 -22.590 -2.390 1.00 51.47 170 A 1 ATOM 1356 C C . ASP A 1 170 ? -1.116 -23.294 -2.769 1.00 50.22 170 A 1 ATOM 1357 O O . ASP A 1 170 ? -1.128 -24.411 -3.286 1.00 48.63 170 A 1 ATOM 1358 C CB . ASP A 1 170 ? 1.357 -22.882 -3.360 1.00 50.05 170 A 1 ATOM 1359 C CG . ASP A 1 170 ? 1.225 -22.218 -4.742 1.00 45.89 170 A 1 ATOM 1360 O OD1 . ASP A 1 170 ? 0.317 -21.390 -4.937 1.00 44.70 170 A 1 ATOM 1361 O OD2 . ASP A 1 170 ? 2.148 -22.444 -5.582 1.00 44.91 170 A 1 ATOM 1362 N N . TYR A 1 171 ? -2.229 -22.653 -2.472 1.00 45.77 171 A 1 ATOM 1363 C CA . TYR A 1 171 ? -3.544 -23.141 -2.874 1.00 46.00 171 A 1 ATOM 1364 C C . TYR A 1 171 ? -3.852 -22.703 -4.313 1.00 44.96 171 A 1 ATOM 1365 O O . TYR A 1 171 ? -4.319 -21.592 -4.545 1.00 42.34 171 A 1 ATOM 1366 C CB . TYR A 1 171 ? -4.607 -22.665 -1.877 1.00 42.61 171 A 1 ATOM 1367 C CG . TYR A 1 171 ? -4.491 -23.273 -0.488 1.00 39.55 171 A 1 ATOM 1368 C CD1 . TYR A 1 171 ? -5.025 -24.554 -0.240 1.00 37.03 171 A 1 ATOM 1369 C CD2 . TYR A 1 171 ? -3.865 -22.561 0.549 1.00 37.11 171 A 1 ATOM 1370 C CE1 . TYR A 1 171 ? -4.948 -25.121 1.048 1.00 34.75 171 A 1 ATOM 1371 C CE2 . TYR A 1 171 ? -3.785 -23.127 1.840 1.00 35.46 171 A 1 ATOM 1372 C CZ . TYR A 1 171 ? -4.331 -24.404 2.091 1.00 34.27 171 A 1 ATOM 1373 O OH . TYR A 1 171 ? -4.271 -24.950 3.334 1.00 33.05 171 A 1 ATOM 1374 N N . GLU A 1 172 ? -3.623 -23.592 -5.280 1.00 46.85 172 A 1 ATOM 1375 C CA . GLU A 1 172 ? -3.894 -23.311 -6.704 1.00 48.14 172 A 1 ATOM 1376 C C . GLU A 1 172 ? -5.390 -23.077 -7.051 1.00 47.50 172 A 1 ATOM 1377 O O . GLU A 1 172 ? -5.676 -22.663 -8.172 1.00 44.80 172 A 1 ATOM 1378 C CB . GLU A 1 172 ? -3.288 -24.412 -7.607 1.00 46.37 172 A 1 ATOM 1379 C CG . GLU A 1 172 ? -1.753 -24.331 -7.765 1.00 41.94 172 A 1 ATOM 1380 C CD . GLU A 1 172 ? -1.185 -25.239 -8.884 1.00 39.57 172 A 1 ATOM 1381 O OE1 . GLU A 1 172 ? -0.086 -24.930 -9.405 1.00 37.92 172 A 1 ATOM 1382 O OE2 . GLU A 1 172 ? -1.840 -26.246 -9.259 1.00 38.68 172 A 1 ATOM 1383 N N . ASP A 1 173 ? -6.335 -23.326 -6.140 1.00 43.58 173 A 1 ATOM 1384 C CA . ASP A 1 173 ? -7.759 -23.484 -6.517 1.00 44.21 173 A 1 ATOM 1385 C C . ASP A 1 173 ? -8.817 -22.811 -5.608 1.00 43.60 173 A 1 ATOM 1386 O O . ASP A 1 173 ? -10.006 -23.099 -5.753 1.00 41.12 173 A 1 ATOM 1387 C CB . ASP A 1 173 ? -8.057 -24.983 -6.752 1.00 41.34 173 A 1 ATOM 1388 C CG . ASP A 1 173 ? -7.902 -25.471 -8.208 1.00 36.93 173 A 1 ATOM 1389 O OD1 . ASP A 1 173 ? -8.096 -24.678 -9.159 1.00 34.84 173 A 1 ATOM 1390 O OD2 . ASP A 1 173 ? -7.695 -26.699 -8.378 1.00 34.91 173 A 1 ATOM 1391 N N . GLU A 1 174 ? -8.471 -21.894 -4.712 1.00 42.45 174 A 1 ATOM 1392 C CA . GLU A 1 174 ? -9.501 -21.156 -3.954 1.00 43.31 174 A 1 ATOM 1393 C C . GLU A 1 174 ? -9.355 -19.634 -4.115 1.00 42.46 174 A 1 ATOM 1394 O O . GLU A 1 174 ? -8.264 -19.075 -4.039 1.00 40.48 174 A 1 ATOM 1395 C CB . GLU A 1 174 ? -9.582 -21.623 -2.486 1.00 41.34 174 A 1 ATOM 1396 C CG . GLU A 1 174 ? -10.153 -23.057 -2.369 1.00 37.00 174 A 1 ATOM 1397 C CD . GLU A 1 174 ? -10.544 -23.502 -0.948 1.00 34.67 174 A 1 ATOM 1398 O OE1 . GLU A 1 174 ? -11.247 -24.539 -0.846 1.00 32.56 174 A 1 ATOM 1399 O OE2 . GLU A 1 174 ? -10.180 -22.820 0.033 1.00 33.05 174 A 1 ATOM 1400 N N . GLU A 1 175 ? -10.468 -18.953 -4.341 1.00 37.18 175 A 1 ATOM 1401 C CA . GLU A 1 175 ? -10.573 -17.489 -4.194 1.00 37.79 175 A 1 ATOM 1402 C C . GLU A 1 175 ? -10.334 -17.125 -2.719 1.00 38.08 175 A 1 ATOM 1403 O O . GLU A 1 175 ? -11.269 -16.901 -1.948 1.00 36.79 175 A 1 ATOM 1404 C CB . GLU A 1 175 ? -11.962 -16.973 -4.655 1.00 35.66 175 A 1 ATOM 1405 C CG . GLU A 1 175 ? -12.170 -16.881 -6.174 1.00 31.81 175 A 1 ATOM 1406 C CD . GLU A 1 175 ? -13.537 -16.262 -6.572 1.00 29.63 175 A 1 ATOM 1407 O OE1 . GLU A 1 175 ? -13.665 -15.822 -7.743 1.00 27.33 175 A 1 ATOM 1408 O OE2 . GLU A 1 175 ? -14.471 -16.242 -5.737 1.00 28.86 175 A 1 ATOM 1409 N N . VAL A 1 176 ? -9.067 -17.121 -2.304 1.00 34.23 176 A 1 ATOM 1410 C CA . VAL A 1 176 ? -8.692 -16.758 -0.940 1.00 34.75 176 A 1 ATOM 1411 C C . VAL A 1 176 ? -8.648 -15.236 -0.846 1.00 34.57 176 A 1 ATOM 1412 O O . VAL A 1 176 ? -7.662 -14.591 -1.185 1.00 33.54 176 A 1 ATOM 1413 C CB . VAL A 1 176 ? -7.393 -17.440 -0.476 1.00 33.29 176 A 1 ATOM 1414 C CG1 . VAL A 1 176 ? -7.291 -17.307 1.046 1.00 30.91 176 A 1 ATOM 1415 C CG2 . VAL A 1 176 ? -7.355 -18.942 -0.797 1.00 30.76 176 A 1 ATOM 1416 N N . ASN A 1 177 ? -9.754 -14.658 -0.395 1.00 31.78 177 A 1 ATOM 1417 C CA . ASN A 1 177 ? -9.874 -13.209 -0.178 1.00 32.22 177 A 1 ATOM 1418 C C . ASN A 1 177 ? -9.194 -12.716 1.119 1.00 33.11 177 A 1 ATOM 1419 O O . ASN A 1 177 ? -9.171 -11.516 1.382 1.00 31.78 177 A 1 ATOM 1420 C CB . ASN A 1 177 ? -11.364 -12.828 -0.256 1.00 29.76 177 A 1 ATOM 1421 C CG . ASN A 1 177 ? -11.899 -12.832 -1.682 1.00 26.96 177 A 1 ATOM 1422 O OD1 . ASN A 1 177 ? -11.255 -12.406 -2.620 1.00 24.71 177 A 1 ATOM 1423 N ND2 . ASN A 1 177 ? -13.113 -13.273 -1.892 1.00 24.60 177 A 1 ATOM 1424 N N . SER A 1 178 ? -8.638 -13.630 1.922 1.00 33.95 178 A 1 ATOM 1425 C CA . SER A 1 178 ? -7.866 -13.321 3.133 1.00 34.40 178 A 1 ATOM 1426 C C . SER A 1 178 ? -6.947 -14.491 3.463 1.00 35.03 178 A 1 ATOM 1427 O O . SER A 1 178 ? -7.424 -15.612 3.639 1.00 34.01 178 A 1 ATOM 1428 C CB . SER A 1 178 ? -8.805 -13.051 4.322 1.00 32.22 178 A 1 ATOM 1429 O OG . SER A 1 178 ? -9.668 -14.149 4.554 1.00 29.53 178 A 1 ATOM 1430 N N . TRP A 1 179 ? -5.639 -14.247 3.553 1.00 34.47 179 A 1 ATOM 1431 C CA . TRP A 1 179 ? -4.679 -15.220 4.060 1.00 35.03 179 A 1 ATOM 1432 C C . TRP A 1 179 ? -4.440 -14.931 5.547 1.00 35.10 179 A 1 ATOM 1433 O O . TRP A 1 179 ? -3.845 -13.909 5.881 1.00 33.82 179 A 1 ATOM 1434 C CB . TRP A 1 179 ? -3.383 -15.164 3.235 1.00 33.42 179 A 1 ATOM 1435 C CG . TRP A 1 179 ? -3.497 -15.495 1.770 1.00 32.01 179 A 1 ATOM 1436 C CD1 . TRP A 1 179 ? -4.375 -16.367 1.222 1.00 29.52 179 A 1 ATOM 1437 C CD2 . TRP A 1 179 ? -2.700 -14.998 0.644 1.00 29.79 179 A 1 ATOM 1438 N NE1 . TRP A 1 179 ? -4.179 -16.445 -0.143 1.00 27.84 179 A 1 ATOM 1439 C CE2 . TRP A 1 179 ? -3.151 -15.629 -0.555 1.00 28.24 179 A 1 ATOM 1440 C CE3 . TRP A 1 179 ? -1.639 -14.087 0.511 1.00 28.32 179 A 1 ATOM 1441 C CZ2 . TRP A 1 179 ? -2.588 -15.372 -1.806 1.00 26.70 179 A 1 ATOM 1442 C CZ3 . TRP A 1 179 ? -1.064 -13.817 -0.739 1.00 27.18 179 A 1 ATOM 1443 C CH2 . TRP A 1 179 ? -1.534 -14.454 -1.899 1.00 27.00 179 A 1 ATOM 1444 N N . ASP A 1 180 ? -4.901 -15.817 6.409 1.00 35.31 180 A 1 ATOM 1445 C CA . ASP A 1 180 ? -4.463 -15.854 7.802 1.00 35.85 180 A 1 ATOM 1446 C C . ASP A 1 180 ? -3.182 -16.693 7.865 1.00 36.29 180 A 1 ATOM 1447 O O . ASP A 1 180 ? -3.167 -17.860 7.465 1.00 35.08 180 A 1 ATOM 1448 C CB . ASP A 1 180 ? -5.569 -16.406 8.719 1.00 33.89 180 A 1 ATOM 1449 C CG . ASP A 1 180 ? -6.710 -15.408 8.975 1.00 30.84 180 A 1 ATOM 1450 O OD1 . ASP A 1 180 ? -6.449 -14.185 8.956 1.00 28.47 180 A 1 ATOM 1451 O OD2 . ASP A 1 180 ? -7.847 -15.881 9.206 1.00 28.42 180 A 1 ATOM 1452 N N . PHE A 1 181 ? -2.079 -16.087 8.304 1.00 36.20 181 A 1 ATOM 1453 C CA . PHE A 1 181 ? -0.772 -16.733 8.358 1.00 36.81 181 A 1 ATOM 1454 C C . PHE A 1 181 ? -0.470 -17.210 9.780 1.00 36.23 181 A 1 ATOM 1455 O O . PHE A 1 181 ? -0.406 -16.399 10.702 1.00 35.17 181 A 1 ATOM 1456 C CB . PHE A 1 181 ? 0.316 -15.772 7.866 1.00 35.62 181 A 1 ATOM 1457 C CG . PHE A 1 181 ? 0.112 -15.256 6.453 1.00 33.47 181 A 1 ATOM 1458 C CD1 . PHE A 1 181 ? 0.459 -16.059 5.356 1.00 31.50 181 A 1 ATOM 1459 C CD2 . PHE A 1 181 ? -0.424 -13.972 6.239 1.00 32.05 181 A 1 ATOM 1460 C CE1 . PHE A 1 181 ? 0.284 -15.574 4.047 1.00 29.66 181 A 1 ATOM 1461 C CE2 . PHE A 1 181 ? -0.596 -13.488 4.928 1.00 30.03 181 A 1 ATOM 1462 C CZ . PHE A 1 181 ? -0.238 -14.290 3.831 1.00 29.35 181 A 1 ATOM 1463 N N . ASP A 1 182 ? -0.180 -18.500 9.937 1.00 34.70 182 A 1 ATOM 1464 C CA . ASP A 1 182 ? 0.529 -18.996 11.114 1.00 35.60 182 A 1 ATOM 1465 C C . ASP A 1 182 ? 2.031 -18.747 10.913 1.00 35.58 182 A 1 ATOM 1466 O O . ASP A 1 182 ? 2.681 -19.365 10.067 1.00 33.83 182 A 1 ATOM 1467 C CB . ASP A 1 182 ? 0.218 -20.484 11.363 1.00 33.81 182 A 1 ATOM 1468 C CG . ASP A 1 182 ? -1.115 -20.747 12.083 1.00 30.70 182 A 1 ATOM 1469 O OD1 . ASP A 1 182 ? -1.526 -19.903 12.906 1.00 28.19 182 A 1 ATOM 1470 O OD2 . ASP A 1 182 ? -1.669 -21.852 11.874 1.00 28.10 182 A 1 ATOM 1471 N N . ILE A 1 183 ? 2.591 -17.807 11.678 1.00 32.02 183 A 1 ATOM 1472 C CA . ILE A 1 183 ? 4.026 -17.496 11.651 1.00 32.44 183 A 1 ATOM 1473 C C . ILE A 1 183 ? 4.788 -18.698 12.225 1.00 32.16 183 A 1 ATOM 1474 O O . ILE A 1 183 ? 4.657 -19.031 13.401 1.00 31.07 183 A 1 ATOM 1475 C CB . ILE A 1 183 ? 4.323 -16.180 12.417 1.00 31.61 183 A 1 ATOM 1476 C CG1 . ILE A 1 183 ? 3.561 -14.989 11.778 1.00 29.77 183 A 1 ATOM 1477 C CG2 . ILE A 1 183 ? 5.839 -15.899 12.445 1.00 29.68 183 A 1 ATOM 1478 C CD1 . ILE A 1 183 ? 3.684 -13.668 12.554 1.00 28.49 183 A 1 ATOM 1479 N N . ALA A 1 184 ? 5.611 -19.351 11.398 1.00 33.02 184 A 1 ATOM 1480 C CA . ALA A 1 184 ? 6.572 -20.329 11.898 1.00 33.46 184 A 1 ATOM 1481 C C . ALA A 1 184 ? 7.744 -19.578 12.560 1.00 33.79 184 A 1 ATOM 1482 O O . ALA A 1 184 ? 8.377 -18.738 11.927 1.00 32.20 184 A 1 ATOM 1483 C CB . ALA A 1 184 ? 7.003 -21.249 10.749 1.00 30.71 184 A 1 ATOM 1484 N N . ASP A 1 185 ? 8.018 -19.887 13.815 1.00 34.21 185 A 1 ATOM 1485 C CA . ASP A 1 185 ? 8.948 -19.233 14.766 1.00 35.44 185 A 1 ATOM 1486 C C . ASP A 1 185 ? 10.458 -19.235 14.379 1.00 35.64 185 A 1 ATOM 1487 O O . ASP A 1 185 ? 11.331 -19.480 15.218 1.00 34.22 185 A 1 ATOM 1488 C CB . ASP A 1 185 ? 8.759 -19.885 16.157 1.00 33.55 185 A 1 ATOM 1489 C CG . ASP A 1 185 ? 7.621 -19.331 17.024 1.00 30.39 185 A 1 ATOM 1490 O OD1 . ASP A 1 185 ? 7.356 -18.109 16.946 1.00 28.04 185 A 1 ATOM 1491 O OD2 . ASP A 1 185 ? 7.122 -20.124 17.862 1.00 28.21 185 A 1 ATOM 1492 N N . ASP A 1 186 ? 10.836 -18.965 13.143 1.00 35.48 186 A 1 ATOM 1493 C CA . ASP A 1 186 ? 12.232 -18.890 12.701 1.00 36.73 186 A 1 ATOM 1494 C C . ASP A 1 186 ? 12.602 -17.470 12.236 1.00 36.46 186 A 1 ATOM 1495 O O . ASP A 1 186 ? 12.704 -17.160 11.047 1.00 34.89 186 A 1 ATOM 1496 C CB . ASP A 1 186 ? 12.541 -19.994 11.667 1.00 34.79 186 A 1 ATOM 1497 C CG . ASP A 1 186 ? 12.894 -21.368 12.271 1.00 31.20 186 A 1 ATOM 1498 O OD1 . ASP A 1 186 ? 13.393 -21.423 13.424 1.00 29.08 186 A 1 ATOM 1499 O OD2 . ASP A 1 186 ? 12.832 -22.363 11.511 1.00 29.15 186 A 1 ATOM 1500 N N . TRP A 1 187 ? 12.849 -16.597 13.213 1.00 32.35 187 A 1 ATOM 1501 C CA . TRP A 1 187 ? 13.428 -15.267 12.995 1.00 32.78 187 A 1 ATOM 1502 C C . TRP A 1 187 ? 14.940 -15.256 13.248 1.00 32.62 187 A 1 ATOM 1503 O O . TRP A 1 187 ? 15.452 -15.956 14.126 1.00 31.80 187 A 1 ATOM 1504 C CB . TRP A 1 187 ? 12.676 -14.230 13.847 1.00 31.57 187 A 1 ATOM 1505 C CG . TRP A 1 187 ? 12.548 -14.549 15.307 1.00 30.23 187 A 1 ATOM 1506 C CD1 . TRP A 1 187 ? 11.556 -15.286 15.861 1.00 27.77 187 A 1 ATOM 1507 C CD2 . TRP A 1 187 ? 13.423 -14.161 16.416 1.00 28.38 187 A 1 ATOM 1508 N NE1 . TRP A 1 187 ? 11.754 -15.386 17.225 1.00 27.06 187 A 1 ATOM 1509 C CE2 . TRP A 1 187 ? 12.887 -14.705 17.625 1.00 27.84 187 A 1 ATOM 1510 C CE3 . TRP A 1 187 ? 14.606 -13.398 16.520 1.00 28.56 187 A 1 ATOM 1511 C CZ2 . TRP A 1 187 ? 13.497 -14.501 18.874 1.00 26.53 187 A 1 ATOM 1512 C CZ3 . TRP A 1 187 ? 15.226 -13.187 17.770 1.00 26.01 187 A 1 ATOM 1513 C CH2 . TRP A 1 187 ? 14.671 -13.734 18.939 1.00 25.69 187 A 1 ATOM 1514 N N . ARG A 1 188 ? 15.689 -14.447 12.482 1.00 32.40 188 A 1 ATOM 1515 C CA . ARG A 1 188 ? 17.125 -14.190 12.694 1.00 33.62 188 A 1 ATOM 1516 C C . ARG A 1 188 ? 17.367 -12.685 12.827 1.00 32.89 188 A 1 ATOM 1517 O O . ARG A 1 188 ? 16.945 -11.916 11.972 1.00 32.09 188 A 1 ATOM 1518 C CB . ARG A 1 188 ? 17.971 -14.796 11.563 1.00 33.16 188 A 1 ATOM 1519 C CG . ARG A 1 188 ? 17.902 -16.331 11.564 1.00 30.24 188 A 1 ATOM 1520 C CD . ARG A 1 188 ? 18.853 -16.907 10.510 1.00 28.90 188 A 1 ATOM 1521 N NE . ARG A 1 188 ? 18.736 -18.372 10.438 1.00 26.92 188 A 1 ATOM 1522 C CZ . ARG A 1 188 ? 19.420 -19.173 9.647 1.00 25.86 188 A 1 ATOM 1523 N NH1 . ARG A 1 188 ? 20.345 -18.716 8.849 1.00 25.87 188 A 1 ATOM 1524 N NH2 . ARG A 1 188 ? 19.165 -20.451 9.637 1.00 24.50 188 A 1 ATOM 1525 N N . GLU A 1 189 ? 18.073 -12.292 13.888 1.00 32.42 189 A 1 ATOM 1526 C CA . GLU A 1 189 ? 18.658 -10.944 13.978 1.00 33.87 189 A 1 ATOM 1527 C C . GLU A 1 189 ? 19.782 -10.826 12.931 1.00 33.25 189 A 1 ATOM 1528 O O . GLU A 1 189 ? 20.633 -11.718 12.843 1.00 32.74 189 A 1 ATOM 1529 C CB . GLU A 1 189 ? 19.195 -10.634 15.404 1.00 33.52 189 A 1 ATOM 1530 C CG . GLU A 1 189 ? 18.102 -10.318 16.454 1.00 30.22 189 A 1 ATOM 1531 C CD . GLU A 1 189 ? 18.666 -9.830 17.821 1.00 28.86 189 A 1 ATOM 1532 O OE1 . GLU A 1 189 ? 18.074 -8.905 18.457 1.00 26.93 189 A 1 ATOM 1533 O OE2 . GLU A 1 189 ? 19.730 -10.322 18.263 1.00 30.21 189 A 1 ATOM 1534 N N . LEU A 1 190 ? 19.762 -9.760 12.142 1.00 33.45 190 A 1 ATOM 1535 C CA . LEU A 1 190 ? 20.854 -9.363 11.242 1.00 32.73 190 A 1 ATOM 1536 C C . LEU A 1 190 ? 21.969 -8.618 12.002 1.00 30.48 190 A 1 ATOM 1537 O O . LEU A 1 190 ? 21.638 -7.791 12.877 1.00 28.15 190 A 1 ATOM 1538 C CB . LEU A 1 190 ? 20.298 -8.524 10.068 1.00 30.95 190 A 1 ATOM 1539 C CG . LEU A 1 190 ? 19.516 -9.316 9.007 1.00 29.37 190 A 1 ATOM 1540 C CD1 . LEU A 1 190 ? 18.839 -8.345 8.031 1.00 27.57 190 A 1 ATOM 1541 C CD2 . LEU A 1 190 ? 20.430 -10.234 8.195 1.00 28.59 190 A 1 ATOM 1542 O OXT . LEU A 1 190 ? 23.136 -8.900 11.641 1.00 28.17 190 A 1 #