# 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_rad # _entry.id rad # 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 LEU 2 1 n ASN 3 1 n SER 4 1 n LEU 5 1 n TYR 6 1 n ASN 7 1 n ILE 8 1 n SER 9 1 n ILE 10 1 n ASN 11 1 n LEU 12 1 n LYS 13 1 n GLU 14 1 n GLU 15 1 n PRO 16 1 n ASN 17 1 n MET 18 1 n ASN 19 1 n VAL 20 1 n ASP 21 1 n GLU 22 1 n LEU 23 1 n THR 24 1 n GLN 25 1 n HIS 26 1 n LEU 27 1 n LEU 28 1 n SER 29 1 n ARG 30 1 n GLY 31 1 n PHE 32 1 n ASP 33 1 n THR 34 1 n ASP 35 1 n LYS 36 1 n TYR 37 1 n HIS 38 1 n CYS 39 1 n TRP 40 1 n LEU 41 1 n SER 42 1 n PRO 43 1 n GLU 44 1 n GLY 45 1 n TRP 46 1 n LEU 47 1 n THR 48 1 n VAL 49 1 n PRO 50 1 n LEU 51 1 n TYR 52 1 n ASP 53 1 n PHE 54 1 n SER 55 1 n GLY 56 1 n MET 57 1 n LEU 58 1 n ARG 59 1 n GLY 60 1 n TYR 61 1 n GLN 62 1 n THR 63 1 n TYR 64 1 n ASN 65 1 n PRO 66 1 n SER 67 1 n ALA 68 1 n PRO 69 1 n LYS 70 1 n GLY 71 1 n HIS 72 1 n GLY 73 1 n LYS 74 1 n CYS 75 1 n PRO 76 1 n PHE 77 1 n GLU 78 1 n ALA 79 1 n LYS 80 1 n TYR 81 1 n PHE 82 1 n THR 83 1 n TYR 84 1 n SER 85 1 n THR 86 1 n THR 87 1 n GLN 88 1 n CYS 89 1 n VAL 90 1 n TRP 91 1 n GLY 92 1 n LEU 93 1 n GLU 94 1 n THR 95 1 n LEU 96 1 n ASN 97 1 n GLY 98 1 n ASP 99 1 n GLU 100 1 n LYS 101 1 n VAL 102 1 n VAL 103 1 n LEU 104 1 n ILE 105 1 n ALA 106 1 n GLU 107 1 n SER 108 1 n VAL 109 1 n PHE 110 1 n LYS 111 1 n ALA 112 1 n VAL 113 1 n ALA 114 1 n LEU 115 1 n HIS 116 1 n ASN 117 1 n ALA 118 1 n GLY 119 1 n TYR 120 1 n PRO 121 1 n ALA 122 1 n LEU 123 1 n ALA 124 1 n MET 125 1 n LEU 126 1 n GLY 127 1 n SER 128 1 n SER 129 1 n PRO 130 1 n GLY 131 1 n LYS 132 1 n ALA 133 1 n LEU 134 1 n LEU 135 1 n LYS 136 1 n GLN 137 1 n LEU 138 1 n LYS 139 1 n LEU 140 1 n LEU 141 1 n PRO 142 1 n PHE 143 1 n LYS 144 1 n LEU 145 1 n VAL 146 1 n ALA 147 1 n VAL 148 1 n GLY 149 1 n ASP 150 1 n ASN 151 1 n ASP 152 1 n PRO 153 1 n ALA 154 1 n GLY 155 1 n GLU 156 1 n LYS 157 1 n PHE 158 1 n ALA 159 1 n ARG 160 1 n LYS 161 1 n LEU 162 1 n ASN 163 1 n GLY 164 1 n PHE 165 1 n VAL 166 1 n SER 167 1 n PRO 168 1 n VAL 169 1 n ASP 170 1 n VAL 171 1 n ASP 172 1 n GLU 173 1 n MET 174 1 n SER 175 1 n THR 176 1 n GLU 177 1 n ASN 178 1 n LEU 179 1 n LYS 180 1 n ASN 181 1 n PHE 182 1 n LEU 183 1 n ALA 184 1 n MET 185 1 n LYS 186 1 n LEU 187 1 n ASN 188 1 n PHE 189 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:28:52)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 86.29 _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 36.02 1 1 A LEU 2 2 39.61 1 2 A ASN 3 2 40.67 1 3 A SER 4 2 40.71 1 4 A LEU 5 2 39.47 1 5 A TYR 6 2 35.81 1 6 A ASN 7 2 37.62 1 7 A ILE 8 2 37.10 1 8 A SER 9 2 37.77 1 9 A ILE 10 2 35.53 1 10 A ASN 11 2 38.61 1 11 A LEU 12 2 36.72 1 12 A LYS 13 2 44.71 1 13 A GLU 14 2 47.65 1 14 A GLU 15 2 43.56 1 15 A PRO 16 2 52.72 1 16 A ASN 17 2 64.66 1 17 A MET 18 2 81.58 1 18 A ASN 19 2 88.58 1 19 A VAL 20 2 92.73 1 20 A ASP 21 2 92.46 1 21 A GLU 22 2 91.06 1 22 A LEU 23 2 95.19 1 23 A THR 24 2 96.24 1 24 A GLN 25 2 89.69 1 25 A HIS 26 2 93.96 1 26 A LEU 27 2 97.41 1 27 A LEU 28 2 92.84 1 28 A SER 29 2 95.09 1 29 A ARG 30 2 91.15 1 30 A GLY 31 2 97.47 1 31 A PHE 32 2 98.21 1 32 A ASP 33 2 97.14 1 33 A THR 34 2 96.84 1 34 A ASP 35 2 94.99 1 35 A LYS 36 2 92.31 1 36 A TYR 37 2 97.06 1 37 A HIS 38 2 85.53 1 38 A CYS 39 2 97.57 1 39 A TRP 40 2 93.70 1 40 A LEU 41 2 95.69 1 41 A SER 42 2 90.56 1 42 A PRO 43 2 89.18 1 43 A GLU 44 2 80.69 1 44 A GLY 45 2 90.87 1 45 A TRP 46 2 83.51 1 46 A LEU 47 2 96.24 1 47 A THR 48 2 96.18 1 48 A VAL 49 2 97.32 1 49 A PRO 50 2 97.70 1 50 A LEU 51 2 96.66 1 51 A TYR 52 2 95.30 1 52 A ASP 53 2 93.64 1 53 A PHE 54 2 92.49 1 54 A SER 55 2 93.47 1 55 A GLY 56 2 94.83 1 56 A MET 57 2 88.38 1 57 A LEU 58 2 95.71 1 58 A ARG 59 2 91.88 1 59 A GLY 60 2 96.41 1 60 A TYR 61 2 93.52 1 61 A GLN 62 2 93.39 1 62 A THR 63 2 92.38 1 63 A TYR 64 2 94.57 1 64 A ASN 65 2 89.99 1 65 A PRO 66 2 91.98 1 66 A SER 67 2 86.17 1 67 A ALA 68 2 83.09 1 68 A PRO 69 2 80.55 1 69 A LYS 70 2 69.22 1 70 A GLY 71 2 74.57 1 71 A HIS 72 2 66.07 1 72 A GLY 73 2 76.23 1 73 A LYS 74 2 66.31 1 74 A CYS 75 2 73.64 1 75 A PRO 76 2 69.50 1 76 A PHE 77 2 59.32 1 77 A GLU 78 2 68.14 1 78 A ALA 79 2 84.05 1 79 A LYS 80 2 85.68 1 80 A TYR 81 2 89.85 1 81 A PHE 82 2 89.16 1 82 A THR 83 2 92.07 1 83 A TYR 84 2 88.22 1 84 A SER 85 2 91.51 1 85 A THR 86 2 92.64 1 86 A THR 87 2 89.48 1 87 A GLN 88 2 85.37 1 88 A CYS 89 2 92.30 1 89 A VAL 90 2 95.05 1 90 A TRP 91 2 97.70 1 91 A GLY 92 2 97.22 1 92 A LEU 93 2 95.41 1 93 A GLU 94 2 92.05 1 94 A THR 95 2 95.87 1 95 A LEU 96 2 95.49 1 96 A ASN 97 2 89.84 1 97 A GLY 98 2 92.54 1 98 A ASP 99 2 89.25 1 99 A GLU 100 2 94.02 1 100 A LYS 101 2 87.28 1 101 A VAL 102 2 96.00 1 102 A VAL 103 2 97.57 1 103 A LEU 104 2 97.89 1 104 A ILE 105 2 95.48 1 105 A ALA 106 2 96.74 1 106 A GLU 107 2 89.30 1 107 A SER 108 2 95.22 1 108 A VAL 109 2 97.70 1 109 A PHE 110 2 96.86 1 110 A LYS 111 2 93.71 1 111 A ALA 112 2 98.49 1 112 A VAL 113 2 98.38 1 113 A ALA 114 2 98.27 1 114 A LEU 115 2 98.37 1 115 A HIS 116 2 96.87 1 116 A ASN 117 2 97.01 1 117 A ALA 118 2 97.83 1 118 A GLY 119 2 97.50 1 119 A TYR 120 2 96.40 1 120 A PRO 121 2 97.91 1 121 A ALA 122 2 98.34 1 122 A LEU 123 2 97.76 1 123 A ALA 124 2 97.50 1 124 A MET 125 2 90.44 1 125 A LEU 126 2 92.62 1 126 A GLY 127 2 89.09 1 127 A SER 128 2 86.73 1 128 A SER 129 2 86.56 1 129 A PRO 130 2 91.36 1 130 A GLY 131 2 92.84 1 131 A LYS 132 2 86.04 1 132 A ALA 133 2 94.18 1 133 A LEU 134 2 93.77 1 134 A LEU 135 2 91.73 1 135 A LYS 136 2 87.17 1 136 A GLN 137 2 87.57 1 137 A LEU 138 2 93.02 1 138 A LYS 139 2 85.08 1 139 A LEU 140 2 92.10 1 140 A LEU 141 2 91.99 1 141 A PRO 142 2 94.57 1 142 A PHE 143 2 94.58 1 143 A LYS 144 2 87.88 1 144 A LEU 145 2 92.54 1 145 A VAL 146 2 97.19 1 146 A ALA 147 2 97.28 1 147 A VAL 148 2 96.98 1 148 A GLY 149 2 95.57 1 149 A ASP 150 2 92.43 1 150 A ASN 151 2 88.67 1 151 A ASP 152 2 93.68 1 152 A PRO 153 2 95.81 1 153 A ALA 154 2 94.49 1 154 A GLY 155 2 94.75 1 155 A GLU 156 2 87.65 1 156 A LYS 157 2 86.48 1 157 A PHE 158 2 93.66 1 158 A ALA 159 2 95.03 1 159 A ARG 160 2 80.49 1 160 A LYS 161 2 85.17 1 161 A LEU 162 2 90.19 1 162 A ASN 163 2 84.75 1 163 A GLY 164 2 96.01 1 164 A PHE 165 2 96.92 1 165 A VAL 166 2 95.33 1 166 A SER 167 2 95.02 1 167 A PRO 168 2 94.88 1 168 A VAL 169 2 92.70 1 169 A ASP 170 2 90.34 1 170 A VAL 171 2 93.79 1 171 A ASP 172 2 93.08 1 172 A GLU 173 2 90.09 1 173 A MET 174 2 93.54 1 174 A SER 175 2 96.24 1 175 A THR 176 2 95.56 1 176 A GLU 177 2 86.97 1 177 A ASN 178 2 94.51 1 178 A LEU 179 2 97.40 1 179 A LYS 180 2 93.67 1 180 A ASN 181 2 94.77 1 181 A PHE 182 2 96.80 1 182 A LEU 183 2 97.22 1 183 A ALA 184 2 96.54 1 184 A MET 185 2 87.49 1 185 A LYS 186 2 93.08 1 186 A LEU 187 2 90.59 1 187 A ASN 188 2 74.18 1 188 A PHE 189 2 54.74 1 189 # _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 LEU . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n ASN . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n ASP . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n THR . 24 A 24 A 25 1 n GLN . 25 A 25 A 26 1 n HIS . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n LEU . 28 A 28 A 29 1 n SER . 29 A 29 A 30 1 n ARG . 30 A 30 A 31 1 n GLY . 31 A 31 A 32 1 n PHE . 32 A 32 A 33 1 n ASP . 33 A 33 A 34 1 n THR . 34 A 34 A 35 1 n ASP . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n TYR . 37 A 37 A 38 1 n HIS . 38 A 38 A 39 1 n CYS . 39 A 39 A 40 1 n TRP . 40 A 40 A 41 1 n LEU . 41 A 41 A 42 1 n SER . 42 A 42 A 43 1 n PRO . 43 A 43 A 44 1 n GLU . 44 A 44 A 45 1 n GLY . 45 A 45 A 46 1 n TRP . 46 A 46 A 47 1 n LEU . 47 A 47 A 48 1 n THR . 48 A 48 A 49 1 n VAL . 49 A 49 A 50 1 n PRO . 50 A 50 A 51 1 n LEU . 51 A 51 A 52 1 n TYR . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n PHE . 54 A 54 A 55 1 n SER . 55 A 55 A 56 1 n GLY . 56 A 56 A 57 1 n MET . 57 A 57 A 58 1 n LEU . 58 A 58 A 59 1 n ARG . 59 A 59 A 60 1 n GLY . 60 A 60 A 61 1 n TYR . 61 A 61 A 62 1 n GLN . 62 A 62 A 63 1 n THR . 63 A 63 A 64 1 n TYR . 64 A 64 A 65 1 n ASN . 65 A 65 A 66 1 n PRO . 66 A 66 A 67 1 n SER . 67 A 67 A 68 1 n ALA . 68 A 68 A 69 1 n PRO . 69 A 69 A 70 1 n LYS . 70 A 70 A 71 1 n GLY . 71 A 71 A 72 1 n HIS . 72 A 72 A 73 1 n GLY . 73 A 73 A 74 1 n LYS . 74 A 74 A 75 1 n CYS . 75 A 75 A 76 1 n PRO . 76 A 76 A 77 1 n PHE . 77 A 77 A 78 1 n GLU . 78 A 78 A 79 1 n ALA . 79 A 79 A 80 1 n LYS . 80 A 80 A 81 1 n TYR . 81 A 81 A 82 1 n PHE . 82 A 82 A 83 1 n THR . 83 A 83 A 84 1 n TYR . 84 A 84 A 85 1 n SER . 85 A 85 A 86 1 n THR . 86 A 86 A 87 1 n THR . 87 A 87 A 88 1 n GLN . 88 A 88 A 89 1 n CYS . 89 A 89 A 90 1 n VAL . 90 A 90 A 91 1 n TRP . 91 A 91 A 92 1 n GLY . 92 A 92 A 93 1 n LEU . 93 A 93 A 94 1 n GLU . 94 A 94 A 95 1 n THR . 95 A 95 A 96 1 n LEU . 96 A 96 A 97 1 n ASN . 97 A 97 A 98 1 n GLY . 98 A 98 A 99 1 n ASP . 99 A 99 A 100 1 n GLU . 100 A 100 A 101 1 n LYS . 101 A 101 A 102 1 n VAL . 102 A 102 A 103 1 n VAL . 103 A 103 A 104 1 n LEU . 104 A 104 A 105 1 n ILE . 105 A 105 A 106 1 n ALA . 106 A 106 A 107 1 n GLU . 107 A 107 A 108 1 n SER . 108 A 108 A 109 1 n VAL . 109 A 109 A 110 1 n PHE . 110 A 110 A 111 1 n LYS . 111 A 111 A 112 1 n ALA . 112 A 112 A 113 1 n VAL . 113 A 113 A 114 1 n ALA . 114 A 114 A 115 1 n LEU . 115 A 115 A 116 1 n HIS . 116 A 116 A 117 1 n ASN . 117 A 117 A 118 1 n ALA . 118 A 118 A 119 1 n GLY . 119 A 119 A 120 1 n TYR . 120 A 120 A 121 1 n PRO . 121 A 121 A 122 1 n ALA . 122 A 122 A 123 1 n LEU . 123 A 123 A 124 1 n ALA . 124 A 124 A 125 1 n MET . 125 A 125 A 126 1 n LEU . 126 A 126 A 127 1 n GLY . 127 A 127 A 128 1 n SER . 128 A 128 A 129 1 n SER . 129 A 129 A 130 1 n PRO . 130 A 130 A 131 1 n GLY . 131 A 131 A 132 1 n LYS . 132 A 132 A 133 1 n ALA . 133 A 133 A 134 1 n LEU . 134 A 134 A 135 1 n LEU . 135 A 135 A 136 1 n LYS . 136 A 136 A 137 1 n GLN . 137 A 137 A 138 1 n LEU . 138 A 138 A 139 1 n LYS . 139 A 139 A 140 1 n LEU . 140 A 140 A 141 1 n LEU . 141 A 141 A 142 1 n PRO . 142 A 142 A 143 1 n PHE . 143 A 143 A 144 1 n LYS . 144 A 144 A 145 1 n LEU . 145 A 145 A 146 1 n VAL . 146 A 146 A 147 1 n ALA . 147 A 147 A 148 1 n VAL . 148 A 148 A 149 1 n GLY . 149 A 149 A 150 1 n ASP . 150 A 150 A 151 1 n ASN . 151 A 151 A 152 1 n ASP . 152 A 152 A 153 1 n PRO . 153 A 153 A 154 1 n ALA . 154 A 154 A 155 1 n GLY . 155 A 155 A 156 1 n GLU . 156 A 156 A 157 1 n LYS . 157 A 157 A 158 1 n PHE . 158 A 158 A 159 1 n ALA . 159 A 159 A 160 1 n ARG . 160 A 160 A 161 1 n LYS . 161 A 161 A 162 1 n LEU . 162 A 162 A 163 1 n ASN . 163 A 163 A 164 1 n GLY . 164 A 164 A 165 1 n PHE . 165 A 165 A 166 1 n VAL . 166 A 166 A 167 1 n SER . 167 A 167 A 168 1 n PRO . 168 A 168 A 169 1 n VAL . 169 A 169 A 170 1 n ASP . 170 A 170 A 171 1 n VAL . 171 A 171 A 172 1 n ASP . 172 A 172 A 173 1 n GLU . 173 A 173 A 174 1 n MET . 174 A 174 A 175 1 n SER . 175 A 175 A 176 1 n THR . 176 A 176 A 177 1 n GLU . 177 A 177 A 178 1 n ASN . 178 A 178 A 179 1 n LEU . 179 A 179 A 180 1 n LYS . 180 A 180 A 181 1 n ASN . 181 A 181 A 182 1 n PHE . 182 A 182 A 183 1 n LEU . 183 A 183 A 184 1 n ALA . 184 A 184 A 185 1 n MET . 185 A 185 A 186 1 n LYS . 186 A 186 A 187 1 n LEU . 187 A 187 A 188 1 n ASN . 188 A 188 A 189 1 n PHE . 189 A 189 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -25.574 19.220 -43.803 1.00 29.48 1 A 1 ATOM 2 C CA . MET A 1 1 ? -24.165 19.064 -43.386 1.00 40.97 1 A 1 ATOM 3 C C . MET A 1 1 ? -24.062 19.324 -41.874 1.00 43.75 1 A 1 ATOM 4 O O . MET A 1 1 ? -23.546 20.350 -41.483 1.00 42.87 1 A 1 ATOM 5 C CB . MET A 1 1 ? -23.260 20.006 -44.214 1.00 39.71 1 A 1 ATOM 6 C CG . MET A 1 1 ? -22.115 19.285 -44.917 1.00 34.49 1 A 1 ATOM 7 S SD . MET A 1 1 ? -20.906 20.409 -45.675 1.00 31.82 1 A 1 ATOM 8 C CE . MET A 1 1 ? -21.785 20.954 -47.166 1.00 25.10 1 A 1 ATOM 9 N N . LEU A 1 2 ? -24.663 18.468 -41.035 1.00 37.66 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -24.735 18.657 -39.570 1.00 42.30 2 A 1 ATOM 11 C C . LEU A 1 2 ? -24.998 17.333 -38.805 1.00 42.00 2 A 1 ATOM 12 O O . LEU A 1 2 ? -25.676 17.329 -37.798 1.00 39.84 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -25.751 19.780 -39.231 1.00 41.51 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -25.090 21.082 -38.733 1.00 38.73 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -26.021 22.277 -38.955 1.00 35.78 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -24.723 21.014 -37.254 1.00 39.08 2 A 1 ATOM 17 N N . ASN A 1 3 ? -24.450 16.207 -39.287 1.00 40.21 3 A 1 ATOM 18 C CA . ASN A 1 3 ? -24.618 14.878 -38.658 1.00 44.60 3 A 1 ATOM 19 C C . ASN A 1 3 ? -23.285 14.120 -38.475 1.00 43.36 3 A 1 ATOM 20 O O . ASN A 1 3 ? -23.234 12.908 -38.633 1.00 41.42 3 A 1 ATOM 21 C CB . ASN A 1 3 ? -25.696 14.062 -39.421 1.00 43.62 3 A 1 ATOM 22 C CG . ASN A 1 3 ? -27.095 14.179 -38.833 1.00 39.30 3 A 1 ATOM 23 O OD1 . ASN A 1 3 ? -27.341 14.809 -37.829 1.00 36.80 3 A 1 ATOM 24 N ND2 . ASN A 1 3 ? -28.070 13.547 -39.447 1.00 36.09 3 A 1 ATOM 25 N N . SER A 1 4 ? -22.190 14.831 -38.175 1.00 36.50 4 A 1 ATOM 26 C CA . SER A 1 4 ? -20.847 14.220 -38.091 1.00 42.93 4 A 1 ATOM 27 C C . SER A 1 4 ? -20.115 14.422 -36.753 1.00 42.66 4 A 1 ATOM 28 O O . SER A 1 4 ? -18.925 14.161 -36.682 1.00 41.22 4 A 1 ATOM 29 C CB . SER A 1 4 ? -19.994 14.700 -39.274 1.00 42.86 4 A 1 ATOM 30 O OG . SER A 1 4 ? -18.725 14.081 -39.286 1.00 38.09 4 A 1 ATOM 31 N N . LEU A 1 5 ? -20.784 14.880 -35.687 1.00 39.24 5 A 1 ATOM 32 C CA . LEU A 1 5 ? -20.089 15.233 -34.433 1.00 42.46 5 A 1 ATOM 33 C C . LEU A 1 5 ? -20.552 14.482 -33.170 1.00 42.05 5 A 1 ATOM 34 O O . LEU A 1 5 ? -20.104 14.819 -32.084 1.00 39.98 5 A 1 ATOM 35 C CB . LEU A 1 5 ? -20.070 16.763 -34.259 1.00 40.62 5 A 1 ATOM 36 C CG . LEU A 1 5 ? -19.078 17.487 -35.186 1.00 38.07 5 A 1 ATOM 37 C CD1 . LEU A 1 5 ? -19.270 18.999 -35.068 1.00 35.23 5 A 1 ATOM 38 C CD2 . LEU A 1 5 ? -17.617 17.167 -34.851 1.00 38.08 5 A 1 ATOM 39 N N . TYR A 1 6 ? -21.366 13.441 -33.290 1.00 40.17 6 A 1 ATOM 40 C CA . TYR A 1 6 ? -21.776 12.626 -32.134 1.00 41.93 6 A 1 ATOM 41 C C . TYR A 1 6 ? -21.729 11.118 -32.422 1.00 43.02 6 A 1 ATOM 42 O O . TYR A 1 6 ? -22.672 10.392 -32.154 1.00 39.92 6 A 1 ATOM 43 C CB . TYR A 1 6 ? -23.124 13.109 -31.577 1.00 40.48 6 A 1 ATOM 44 C CG . TYR A 1 6 ? -23.003 14.304 -30.649 1.00 36.43 6 A 1 ATOM 45 C CD1 . TYR A 1 6 ? -22.669 14.096 -29.290 1.00 33.15 6 A 1 ATOM 46 C CD2 . TYR A 1 6 ? -23.222 15.609 -31.123 1.00 31.91 6 A 1 ATOM 47 C CE1 . TYR A 1 6 ? -22.565 15.194 -28.412 1.00 30.35 6 A 1 ATOM 48 C CE2 . TYR A 1 6 ? -23.117 16.710 -30.249 1.00 29.96 6 A 1 ATOM 49 C CZ . TYR A 1 6 ? -22.789 16.502 -28.889 1.00 31.97 6 A 1 ATOM 50 O OH . TYR A 1 6 ? -22.697 17.561 -28.039 1.00 30.38 6 A 1 ATOM 51 N N . ASN A 1 7 ? -20.607 10.646 -32.940 1.00 37.60 7 A 1 ATOM 52 C CA . ASN A 1 7 ? -20.209 9.248 -32.771 1.00 41.49 7 A 1 ATOM 53 C C . ASN A 1 7 ? -19.011 9.194 -31.817 1.00 40.07 7 A 1 ATOM 54 O O . ASN A 1 7 ? -17.913 8.783 -32.169 1.00 38.64 7 A 1 ATOM 55 C CB . ASN A 1 7 ? -19.981 8.548 -34.132 1.00 40.70 7 A 1 ATOM 56 C CG . ASN A 1 7 ? -21.241 7.930 -34.713 1.00 35.59 7 A 1 ATOM 57 O OD1 . ASN A 1 7 ? -22.177 7.561 -34.031 1.00 34.05 7 A 1 ATOM 58 N ND2 . ASN A 1 7 ? -21.288 7.745 -36.008 1.00 32.83 7 A 1 ATOM 59 N N . ILE A 1 8 ? -19.220 9.671 -30.592 1.00 36.85 8 A 1 ATOM 60 C CA . ILE A 1 8 ? -18.460 9.126 -29.471 1.00 39.50 8 A 1 ATOM 61 C C . ILE A 1 8 ? -19.055 7.734 -29.294 1.00 39.77 8 A 1 ATOM 62 O O . ILE A 1 8 ? -20.129 7.581 -28.722 1.00 38.42 8 A 1 ATOM 63 C CB . ILE A 1 8 ? -18.559 10.002 -28.205 1.00 38.71 8 A 1 ATOM 64 C CG1 . ILE A 1 8 ? -17.959 11.401 -28.487 1.00 34.79 8 A 1 ATOM 65 C CG2 . ILE A 1 8 ? -17.827 9.322 -27.032 1.00 35.26 8 A 1 ATOM 66 C CD1 . ILE A 1 8 ? -18.162 12.412 -27.349 1.00 33.51 8 A 1 ATOM 67 N N . SER A 1 9 ? -18.393 6.735 -29.873 1.00 36.95 9 A 1 ATOM 68 C CA . SER A 1 9 ? -18.572 5.361 -29.447 1.00 39.26 9 A 1 ATOM 69 C C . SER A 1 9 ? -18.331 5.367 -27.945 1.00 39.53 9 A 1 ATOM 70 O O . SER A 1 9 ? -17.189 5.442 -27.488 1.00 38.72 9 A 1 ATOM 71 C CB . SER A 1 9 ? -17.567 4.437 -30.151 1.00 38.07 9 A 1 ATOM 72 O OG . SER A 1 9 ? -17.752 4.500 -31.551 1.00 34.06 9 A 1 ATOM 73 N N . ILE A 1 10 ? -19.425 5.380 -27.180 1.00 35.79 10 A 1 ATOM 74 C CA . ILE A 1 10 ? -19.397 4.958 -25.793 1.00 37.93 10 A 1 ATOM 75 C C . ILE A 1 10 ? -18.974 3.495 -25.903 1.00 39.11 10 A 1 ATOM 76 O O . ILE A 1 10 ? -19.800 2.630 -26.171 1.00 37.48 10 A 1 ATOM 77 C CB . ILE A 1 10 ? -20.778 5.152 -25.117 1.00 36.23 10 A 1 ATOM 78 C CG1 . ILE A 1 10 ? -21.218 6.638 -25.167 1.00 33.04 10 A 1 ATOM 79 C CG2 . ILE A 1 10 ? -20.725 4.658 -23.661 1.00 33.23 10 A 1 ATOM 80 C CD1 . ILE A 1 10 ? -22.662 6.881 -24.694 1.00 31.41 10 A 1 ATOM 81 N N . ASN A 1 11 ? -17.662 3.245 -25.822 1.00 39.51 11 A 1 ATOM 82 C CA . ASN A 1 11 ? -17.202 1.944 -25.388 1.00 42.45 11 A 1 ATOM 83 C C . ASN A 1 11 ? -17.906 1.757 -24.049 1.00 42.19 11 A 1 ATOM 84 O O . ASN A 1 11 ? -17.553 2.407 -23.064 1.00 41.01 11 A 1 ATOM 85 C CB . ASN A 1 11 ? -15.663 1.915 -25.241 1.00 41.00 11 A 1 ATOM 86 C CG . ASN A 1 11 ? -14.938 1.381 -26.465 1.00 36.59 11 A 1 ATOM 87 O OD1 . ASN A 1 11 ? -15.482 0.701 -27.316 1.00 33.88 11 A 1 ATOM 88 N ND2 . ASN A 1 11 ? -13.658 1.639 -26.580 1.00 32.25 11 A 1 ATOM 89 N N . LEU A 1 12 ? -18.994 0.981 -24.071 1.00 38.04 12 A 1 ATOM 90 C CA . LEU A 1 12 ? -19.595 0.433 -22.879 1.00 40.34 12 A 1 ATOM 91 C C . LEU A 1 12 ? -18.418 -0.209 -22.156 1.00 41.08 12 A 1 ATOM 92 O O . LEU A 1 12 ? -17.843 -1.177 -22.654 1.00 38.91 12 A 1 ATOM 93 C CB . LEU A 1 12 ? -20.679 -0.588 -23.273 1.00 36.88 12 A 1 ATOM 94 C CG . LEU A 1 12 ? -21.942 0.046 -23.894 1.00 34.43 12 A 1 ATOM 95 C CD1 . LEU A 1 12 ? -22.804 -1.025 -24.574 1.00 31.28 12 A 1 ATOM 96 C CD2 . LEU A 1 12 ? -22.799 0.760 -22.847 1.00 32.83 12 A 1 ATOM 97 N N . LYS A 1 13 ? -17.956 0.452 -21.087 1.00 49.12 13 A 1 ATOM 98 C CA . LYS A 1 13 ? -16.999 -0.148 -20.166 1.00 50.30 13 A 1 ATOM 99 C C . LYS A 1 13 ? -17.559 -1.533 -19.884 1.00 50.68 13 A 1 ATOM 100 O O . LYS A 1 13 ? -18.750 -1.632 -19.593 1.00 48.05 13 A 1 ATOM 101 C CB . LYS A 1 13 ? -16.903 0.664 -18.868 1.00 46.93 13 A 1 ATOM 102 C CG . LYS A 1 13 ? -16.119 1.982 -18.984 1.00 43.14 13 A 1 ATOM 103 C CD . LYS A 1 13 ? -16.125 2.659 -17.604 1.00 40.75 13 A 1 ATOM 104 C CE . LYS A 1 13 ? -15.272 3.928 -17.525 1.00 38.08 13 A 1 ATOM 105 N NZ . LYS A 1 13 ? -15.323 4.467 -16.137 1.00 35.35 13 A 1 ATOM 106 N N . GLU A 1 14 ? -16.740 -2.562 -20.082 1.00 51.39 14 A 1 ATOM 107 C CA . GLU A 1 14 ? -17.111 -3.906 -19.641 1.00 53.53 14 A 1 ATOM 108 C C . GLU A 1 14 ? -17.692 -3.784 -18.232 1.00 54.15 14 A 1 ATOM 109 O O . GLU A 1 14 ? -17.165 -3.017 -17.415 1.00 51.33 14 A 1 ATOM 110 C CB . GLU A 1 14 ? -15.888 -4.837 -19.665 1.00 50.97 14 A 1 ATOM 111 C CG . GLU A 1 14 ? -15.440 -5.173 -21.102 1.00 45.18 14 A 1 ATOM 112 C CD . GLU A 1 14 ? -14.205 -6.090 -21.173 1.00 41.99 14 A 1 ATOM 113 O OE1 . GLU A 1 14 ? -14.008 -6.704 -22.250 1.00 40.09 14 A 1 ATOM 114 O OE2 . GLU A 1 14 ? -13.436 -6.135 -20.189 1.00 40.25 14 A 1 ATOM 115 N N . GLU A 1 15 ? -18.840 -4.441 -18.014 1.00 48.01 15 A 1 ATOM 116 C CA . GLU A 1 15 ? -19.504 -4.444 -16.705 1.00 49.88 15 A 1 ATOM 117 C C . GLU A 1 15 ? -18.443 -4.653 -15.614 1.00 50.60 15 A 1 ATOM 118 O O . GLU A 1 15 ? -17.520 -5.457 -15.815 1.00 47.73 15 A 1 ATOM 119 C CB . GLU A 1 15 ? -20.542 -5.574 -16.653 1.00 46.33 15 A 1 ATOM 120 C CG . GLU A 1 15 ? -21.807 -5.302 -17.495 1.00 40.64 15 A 1 ATOM 121 C CD . GLU A 1 15 ? -23.059 -4.941 -16.690 1.00 37.50 15 A 1 ATOM 122 O OE1 . GLU A 1 15 ? -23.985 -4.359 -17.309 1.00 35.42 15 A 1 ATOM 123 O OE2 . GLU A 1 15 ? -23.116 -5.276 -15.483 1.00 35.94 15 A 1 ATOM 124 N N . PRO A 1 16 ? -18.504 -3.914 -14.492 1.00 54.41 16 A 1 ATOM 125 C CA . PRO A 1 16 ? -17.494 -4.058 -13.457 1.00 54.12 16 A 1 ATOM 126 C C . PRO A 1 16 ? -17.422 -5.533 -13.060 1.00 57.63 16 A 1 ATOM 127 O O . PRO A 1 16 ? -18.412 -6.119 -12.633 1.00 53.87 16 A 1 ATOM 128 C CB . PRO A 1 16 ? -17.927 -3.137 -12.309 1.00 50.16 16 A 1 ATOM 129 C CG . PRO A 1 16 ? -19.422 -2.920 -12.543 1.00 48.40 16 A 1 ATOM 130 C CD . PRO A 1 16 ? -19.565 -3.023 -14.062 1.00 50.48 16 A 1 ATOM 131 N N . ASN A 1 17 ? -16.239 -6.128 -13.209 1.00 71.03 17 A 1 ATOM 132 C CA . ASN A 1 17 ? -16.021 -7.548 -12.918 1.00 72.95 17 A 1 ATOM 133 C C . ASN A 1 17 ? -16.295 -7.915 -11.448 1.00 77.44 17 A 1 ATOM 134 O O . ASN A 1 17 ? -16.266 -9.092 -11.100 1.00 73.46 17 A 1 ATOM 135 C CB . ASN A 1 17 ? -14.573 -7.905 -13.301 1.00 64.49 17 A 1 ATOM 136 C CG . ASN A 1 17 ? -14.372 -8.168 -14.786 1.00 56.55 17 A 1 ATOM 137 O OD1 . ASN A 1 17 ? -15.207 -8.716 -15.474 1.00 52.05 17 A 1 ATOM 138 N ND2 . ASN A 1 17 ? -13.223 -7.843 -15.328 1.00 49.29 17 A 1 ATOM 139 N N . MET A 1 18 ? -16.505 -6.926 -10.595 1.00 80.75 18 A 1 ATOM 140 C CA . MET A 1 18 ? -16.749 -7.097 -9.170 1.00 85.33 18 A 1 ATOM 141 C C . MET A 1 18 ? -17.521 -5.889 -8.631 1.00 86.84 18 A 1 ATOM 142 O O . MET A 1 18 ? -17.046 -4.757 -8.745 1.00 82.91 18 A 1 ATOM 143 C CB . MET A 1 18 ? -15.380 -7.256 -8.483 1.00 82.96 18 A 1 ATOM 144 C CG . MET A 1 18 ? -15.489 -7.762 -7.051 1.00 79.70 18 A 1 ATOM 145 S SD . MET A 1 18 ? -13.885 -8.147 -6.290 1.00 80.41 18 A 1 ATOM 146 C CE . MET A 1 18 ? -13.455 -9.662 -7.189 1.00 73.75 18 A 1 ATOM 147 N N . ASN A 1 19 ? -18.693 -6.119 -8.011 1.00 89.90 19 A 1 ATOM 148 C CA . ASN A 1 19 ? -19.422 -5.061 -7.311 1.00 91.11 19 A 1 ATOM 149 C C . ASN A 1 19 ? -18.785 -4.747 -5.940 1.00 93.38 19 A 1 ATOM 150 O O . ASN A 1 19 ? -17.817 -5.386 -5.519 1.00 93.38 19 A 1 ATOM 151 C CB . ASN A 1 19 ? -20.922 -5.422 -7.271 1.00 88.65 19 A 1 ATOM 152 C CG . ASN A 1 19 ? -21.233 -6.586 -6.351 1.00 87.88 19 A 1 ATOM 153 O OD1 . ASN A 1 19 ? -20.858 -6.589 -5.194 1.00 81.27 19 A 1 ATOM 154 N ND2 . ASN A 1 19 ? -21.931 -7.587 -6.823 1.00 83.03 19 A 1 ATOM 155 N N . VAL A 1 20 ? -19.305 -3.746 -5.227 1.00 92.34 20 A 1 ATOM 156 C CA . VAL A 1 20 ? -18.732 -3.287 -3.945 1.00 93.94 20 A 1 ATOM 157 C C . VAL A 1 20 ? -18.743 -4.382 -2.866 1.00 95.16 20 A 1 ATOM 158 O O . VAL A 1 20 ? -17.766 -4.514 -2.126 1.00 95.13 20 A 1 ATOM 159 C CB . VAL A 1 20 ? -19.462 -2.020 -3.452 1.00 92.69 20 A 1 ATOM 160 C CG1 . VAL A 1 20 ? -19.009 -1.567 -2.061 1.00 89.80 20 A 1 ATOM 161 C CG2 . VAL A 1 20 ? -19.210 -0.851 -4.419 1.00 90.08 20 A 1 ATOM 162 N N . ASP A 1 21 ? -19.800 -5.187 -2.798 1.00 93.72 21 A 1 ATOM 163 C CA . ASP A 1 21 ? -19.912 -6.265 -1.809 1.00 94.28 21 A 1 ATOM 164 C C . ASP A 1 21 ? -18.919 -7.393 -2.116 1.00 95.28 21 A 1 ATOM 165 O O . ASP A 1 21 ? -18.178 -7.841 -1.238 1.00 95.33 21 A 1 ATOM 166 C CB . ASP A 1 21 ? -21.354 -6.808 -1.770 1.00 93.68 21 A 1 ATOM 167 C CG . ASP A 1 21 ? -22.389 -5.794 -1.266 1.00 91.17 21 A 1 ATOM 168 O OD1 . ASP A 1 21 ? -22.004 -4.893 -0.486 1.00 87.88 21 A 1 ATOM 169 O OD2 . ASP A 1 21 ? -23.568 -5.942 -1.654 1.00 88.34 21 A 1 ATOM 170 N N . GLU A 1 22 ? -18.831 -7.794 -3.386 1.00 94.26 22 A 1 ATOM 171 C CA . GLU A 1 22 ? -17.854 -8.780 -3.858 1.00 94.51 22 A 1 ATOM 172 C C . GLU A 1 22 ? -16.415 -8.297 -3.631 1.00 95.46 22 A 1 ATOM 173 O O . GLU A 1 22 ? -15.570 -9.058 -3.146 1.00 95.27 22 A 1 ATOM 174 C CB . GLU A 1 22 ? -18.071 -9.039 -5.352 1.00 93.51 22 A 1 ATOM 175 C CG . GLU A 1 22 ? -19.370 -9.802 -5.655 1.00 90.08 22 A 1 ATOM 176 C CD . GLU A 1 22 ? -19.694 -9.829 -7.162 1.00 89.74 22 A 1 ATOM 177 O OE1 . GLU A 1 22 ? -20.486 -10.711 -7.554 1.00 82.56 22 A 1 ATOM 178 O OE2 . GLU A 1 22 ? -19.207 -8.938 -7.895 1.00 84.17 22 A 1 ATOM 179 N N . LEU A 1 23 ? -16.142 -7.024 -3.919 1.00 95.37 23 A 1 ATOM 180 C CA . LEU A 1 23 ? -14.842 -6.412 -3.649 1.00 95.77 23 A 1 ATOM 181 C C . LEU A 1 23 ? -14.528 -6.424 -2.150 1.00 96.61 23 A 1 ATOM 182 O O . LEU A 1 23 ? -13.414 -6.777 -1.765 1.00 96.88 23 A 1 ATOM 183 C CB . LEU A 1 23 ? -14.818 -4.985 -4.224 1.00 95.39 23 A 1 ATOM 184 C CG . LEU A 1 23 ? -13.505 -4.224 -3.955 1.00 94.58 23 A 1 ATOM 185 C CD1 . LEU A 1 23 ? -12.290 -4.896 -4.597 1.00 93.52 23 A 1 ATOM 186 C CD2 . LEU A 1 23 ? -13.614 -2.803 -4.504 1.00 93.37 23 A 1 ATOM 187 N N . THR A 1 24 ? -15.502 -6.097 -1.304 1.00 96.85 24 A 1 ATOM 188 C CA . THR A 1 24 ? -15.336 -6.127 0.158 1.00 97.04 24 A 1 ATOM 189 C C . THR A 1 24 ? -14.975 -7.535 0.640 1.00 97.30 24 A 1 ATOM 190 O O . THR A 1 24 ? -13.997 -7.707 1.372 1.00 97.30 24 A 1 ATOM 191 C CB . THR A 1 24 ? -16.605 -5.624 0.865 1.00 96.86 24 A 1 ATOM 192 O OG1 . THR A 1 24 ? -16.884 -4.313 0.443 1.00 94.32 24 A 1 ATOM 193 C CG2 . THR A 1 24 ? -16.443 -5.578 2.385 1.00 93.98 24 A 1 ATOM 194 N N . GLN A 1 25 ? -15.690 -8.559 0.172 1.00 96.98 25 A 1 ATOM 195 C CA . GLN A 1 25 ? -15.372 -9.955 0.501 1.00 96.86 25 A 1 ATOM 196 C C . GLN A 1 25 ? -13.998 -10.382 -0.031 1.00 96.97 25 A 1 ATOM 197 O O . GLN A 1 25 ? -13.226 -11.044 0.674 1.00 96.72 25 A 1 ATOM 198 C CB . GLN A 1 25 ? -16.466 -10.889 -0.050 1.00 96.54 25 A 1 ATOM 199 C CG . GLN A 1 25 ? -17.840 -10.683 0.611 1.00 89.87 25 A 1 ATOM 200 C CD . GLN A 1 25 ? -17.791 -10.786 2.131 1.00 84.09 25 A 1 ATOM 201 O OE1 . GLN A 1 25 ? -17.175 -11.667 2.707 1.00 77.04 25 A 1 ATOM 202 N NE2 . GLN A 1 25 ? -18.419 -9.875 2.843 1.00 72.12 25 A 1 ATOM 203 N N . HIS A 1 26 ? -13.649 -9.967 -1.245 1.00 96.76 26 A 1 ATOM 204 C CA . HIS A 1 26 ? -12.325 -10.219 -1.813 1.00 96.43 26 A 1 ATOM 205 C C . HIS A 1 26 ? -11.210 -9.581 -0.969 1.00 96.77 26 A 1 ATOM 206 O O . HIS A 1 26 ? -10.210 -10.234 -0.669 1.00 96.29 26 A 1 ATOM 207 C CB . HIS A 1 26 ? -12.289 -9.716 -3.261 1.00 95.61 26 A 1 ATOM 208 C CG . HIS A 1 26 ? -10.913 -9.821 -3.863 1.00 95.16 26 A 1 ATOM 209 N ND1 . HIS A 1 26 ? -10.316 -10.981 -4.319 1.00 90.30 26 A 1 ATOM 210 C CD2 . HIS A 1 26 ? -10.006 -8.802 -3.968 1.00 90.54 26 A 1 ATOM 211 C CE1 . HIS A 1 26 ? -9.071 -10.657 -4.691 1.00 90.72 26 A 1 ATOM 212 N NE2 . HIS A 1 26 ? -8.844 -9.346 -4.495 1.00 90.97 26 A 1 ATOM 213 N N . LEU A 1 27 ? -11.382 -8.331 -0.547 1.00 97.64 27 A 1 ATOM 214 C CA . LEU A 1 27 ? -10.420 -7.626 0.300 1.00 97.74 27 A 1 ATOM 215 C C . LEU A 1 27 ? -10.270 -8.308 1.667 1.00 97.77 27 A 1 ATOM 216 O O . LEU A 1 27 ? -9.141 -8.571 2.089 1.00 97.66 27 A 1 ATOM 217 C CB . LEU A 1 27 ? -10.849 -6.157 0.444 1.00 97.82 27 A 1 ATOM 218 C CG . LEU A 1 27 ? -10.707 -5.328 -0.847 1.00 97.28 27 A 1 ATOM 219 C CD1 . LEU A 1 27 ? -11.354 -3.962 -0.637 1.00 96.77 27 A 1 ATOM 220 C CD2 . LEU A 1 27 ? -9.248 -5.119 -1.253 1.00 96.62 27 A 1 ATOM 221 N N . LEU A 1 28 ? -11.387 -8.684 2.302 1.00 97.48 28 A 1 ATOM 222 C CA . LEU A 1 28 ? -11.381 -9.450 3.553 1.00 97.18 28 A 1 ATOM 223 C C . LEU A 1 28 ? -10.643 -10.788 3.401 1.00 97.06 28 A 1 ATOM 224 O O . LEU A 1 28 ? -9.843 -11.145 4.265 1.00 96.18 28 A 1 ATOM 225 C CB . LEU A 1 28 ? -12.827 -9.689 4.020 1.00 96.42 28 A 1 ATOM 226 C CG . LEU A 1 28 ? -13.503 -8.461 4.653 1.00 88.29 28 A 1 ATOM 227 C CD1 . LEU A 1 28 ? -14.987 -8.753 4.876 1.00 84.11 28 A 1 ATOM 228 C CD2 . LEU A 1 28 ? -12.884 -8.110 6.010 1.00 86.03 28 A 1 ATOM 229 N N . SER A 1 29 ? -10.828 -11.497 2.284 1.00 96.83 29 A 1 ATOM 230 C CA . SER A 1 29 ? -10.097 -12.745 2.009 1.00 96.06 29 A 1 ATOM 231 C C . SER A 1 29 ? -8.578 -12.553 1.914 1.00 95.69 29 A 1 ATOM 232 O O . SER A 1 29 ? -7.813 -13.478 2.170 1.00 94.45 29 A 1 ATOM 233 C CB . SER A 1 29 ? -10.637 -13.421 0.741 1.00 95.74 29 A 1 ATOM 234 O OG . SER A 1 29 ? -10.098 -12.866 -0.448 1.00 91.76 29 A 1 ATOM 235 N N . ARG A 1 30 ? -8.139 -11.329 1.601 1.00 96.32 30 A 1 ATOM 236 C CA . ARG A 1 30 ? -6.733 -10.904 1.598 1.00 96.07 30 A 1 ATOM 237 C C . ARG A 1 30 ? -6.289 -10.241 2.915 1.00 96.71 30 A 1 ATOM 238 O O . ARG A 1 30 ? -5.204 -9.658 2.975 1.00 95.88 30 A 1 ATOM 239 C CB . ARG A 1 30 ? -6.464 -10.009 0.384 1.00 95.29 30 A 1 ATOM 240 C CG . ARG A 1 30 ? -6.670 -10.754 -0.941 1.00 92.65 30 A 1 ATOM 241 C CD . ARG A 1 30 ? -5.891 -10.084 -2.077 1.00 90.74 30 A 1 ATOM 242 N NE . ARG A 1 30 ? -4.437 -10.209 -1.851 1.00 88.28 30 A 1 ATOM 243 C CZ . ARG A 1 30 ? -3.458 -9.650 -2.530 1.00 88.31 30 A 1 ATOM 244 N NH1 . ARG A 1 30 ? -3.678 -8.924 -3.585 1.00 80.92 30 A 1 ATOM 245 N NH2 . ARG A 1 30 ? -2.218 -9.815 -2.151 1.00 81.47 30 A 1 ATOM 246 N N . GLY A 1 31 ? -7.129 -10.290 3.941 1.00 97.18 31 A 1 ATOM 247 C CA . GLY A 1 31 ? -6.874 -9.712 5.260 1.00 97.30 31 A 1 ATOM 248 C C . GLY A 1 31 ? -7.099 -8.203 5.365 1.00 97.95 31 A 1 ATOM 249 O O . GLY A 1 31 ? -6.897 -7.659 6.449 1.00 97.45 31 A 1 ATOM 250 N N . PHE A 1 32 ? -7.506 -7.527 4.289 1.00 98.18 32 A 1 ATOM 251 C CA . PHE A 1 32 ? -7.796 -6.093 4.297 1.00 98.38 32 A 1 ATOM 252 C C . PHE A 1 32 ? -9.247 -5.856 4.729 1.00 98.38 32 A 1 ATOM 253 O O . PHE A 1 32 ? -10.182 -6.033 3.949 1.00 98.01 32 A 1 ATOM 254 C CB . PHE A 1 32 ? -7.489 -5.483 2.921 1.00 98.33 32 A 1 ATOM 255 C CG . PHE A 1 32 ? -7.513 -3.964 2.891 1.00 98.51 32 A 1 ATOM 256 C CD1 . PHE A 1 32 ? -8.730 -3.262 2.903 1.00 98.24 32 A 1 ATOM 257 C CD2 . PHE A 1 32 ? -6.303 -3.243 2.864 1.00 98.28 32 A 1 ATOM 258 C CE1 . PHE A 1 32 ? -8.739 -1.854 2.913 1.00 97.98 32 A 1 ATOM 259 C CE2 . PHE A 1 32 ? -6.313 -1.836 2.865 1.00 97.92 32 A 1 ATOM 260 C CZ . PHE A 1 32 ? -7.532 -1.140 2.896 1.00 98.08 32 A 1 ATOM 261 N N . ASP A 1 33 ? -9.424 -5.447 5.968 1.00 98.08 33 A 1 ATOM 262 C CA . ASP A 1 33 ? -10.712 -5.056 6.535 1.00 98.01 33 A 1 ATOM 263 C C . ASP A 1 33 ? -10.947 -3.558 6.294 1.00 97.94 33 A 1 ATOM 264 O O . ASP A 1 33 ? -10.210 -2.718 6.820 1.00 97.33 33 A 1 ATOM 265 C CB . ASP A 1 33 ? -10.680 -5.431 8.017 1.00 97.69 33 A 1 ATOM 266 C CG . ASP A 1 33 ? -11.976 -5.171 8.768 1.00 97.24 33 A 1 ATOM 267 O OD1 . ASP A 1 33 ? -12.864 -4.497 8.204 1.00 95.81 33 A 1 ATOM 268 O OD2 . ASP A 1 33 ? -12.005 -5.650 9.931 1.00 95.03 33 A 1 ATOM 269 N N . THR A 1 34 ? -11.939 -3.224 5.472 1.00 97.92 34 A 1 ATOM 270 C CA . THR A 1 34 ? -12.233 -1.840 5.071 1.00 97.76 34 A 1 ATOM 271 C C . THR A 1 34 ? -12.656 -0.941 6.230 1.00 97.58 34 A 1 ATOM 272 O O . THR A 1 34 ? -12.485 0.269 6.137 1.00 96.65 34 A 1 ATOM 273 C CB . THR A 1 34 ? -13.318 -1.798 3.988 1.00 97.33 34 A 1 ATOM 274 O OG1 . THR A 1 34 ? -14.453 -2.546 4.369 1.00 95.67 34 A 1 ATOM 275 C CG2 . THR A 1 34 ? -12.809 -2.401 2.677 1.00 94.97 34 A 1 ATOM 276 N N . ASP A 1 35 ? -13.141 -1.520 7.334 1.00 97.64 35 A 1 ATOM 277 C CA . ASP A 1 35 ? -13.545 -0.757 8.518 1.00 97.17 35 A 1 ATOM 278 C C . ASP A 1 35 ? -12.341 -0.321 9.375 1.00 97.09 35 A 1 ATOM 279 O O . ASP A 1 35 ? -12.455 0.559 10.226 1.00 95.79 35 A 1 ATOM 280 C CB . ASP A 1 35 ? -14.541 -1.585 9.348 1.00 96.61 35 A 1 ATOM 281 C CG . ASP A 1 35 ? -15.888 -1.827 8.647 1.00 94.29 35 A 1 ATOM 282 O OD1 . ASP A 1 35 ? -16.232 -1.050 7.726 1.00 90.83 35 A 1 ATOM 283 O OD2 . ASP A 1 35 ? -16.594 -2.766 9.074 1.00 90.49 35 A 1 ATOM 284 N N . LYS A 1 36 ? -11.166 -0.917 9.150 1.00 97.11 36 A 1 ATOM 285 C CA . LYS A 1 36 ? -9.936 -0.602 9.897 1.00 96.66 36 A 1 ATOM 286 C C . LYS A 1 36 ? -9.067 0.462 9.241 1.00 96.63 36 A 1 ATOM 287 O O . LYS A 1 36 ? -8.157 0.977 9.892 1.00 95.37 36 A 1 ATOM 288 C CB . LYS A 1 36 ? -9.112 -1.873 10.101 1.00 96.12 36 A 1 ATOM 289 C CG . LYS A 1 36 ? -9.825 -2.853 11.034 1.00 93.50 36 A 1 ATOM 290 C CD . LYS A 1 36 ? -8.963 -4.096 11.225 1.00 90.51 36 A 1 ATOM 291 C CE . LYS A 1 36 ? -9.755 -5.093 12.067 1.00 86.55 36 A 1 ATOM 292 N NZ . LYS A 1 36 ? -9.255 -6.464 11.851 1.00 78.30 36 A 1 ATOM 293 N N . TYR A 1 37 ? -9.301 0.766 7.964 1.00 97.24 37 A 1 ATOM 294 C CA . TYR A 1 37 ? -8.415 1.623 7.184 1.00 97.16 37 A 1 ATOM 295 C C . TYR A 1 37 ? -9.194 2.729 6.482 1.00 96.89 37 A 1 ATOM 296 O O . TYR A 1 37 ? -10.296 2.524 5.988 1.00 95.28 37 A 1 ATOM 297 C CB . TYR A 1 37 ? -7.635 0.785 6.166 1.00 97.13 37 A 1 ATOM 298 C CG . TYR A 1 37 ? -6.830 -0.345 6.780 1.00 97.75 37 A 1 ATOM 299 C CD1 . TYR A 1 37 ? -5.696 -0.070 7.568 1.00 97.09 37 A 1 ATOM 300 C CD2 . TYR A 1 37 ? -7.243 -1.679 6.593 1.00 97.37 37 A 1 ATOM 301 C CE1 . TYR A 1 37 ? -4.981 -1.120 8.173 1.00 97.05 37 A 1 ATOM 302 C CE2 . TYR A 1 37 ? -6.528 -2.732 7.194 1.00 97.20 37 A 1 ATOM 303 C CZ . TYR A 1 37 ? -5.400 -2.454 7.987 1.00 97.51 37 A 1 ATOM 304 O OH . TYR A 1 37 ? -4.725 -3.475 8.576 1.00 97.00 37 A 1 ATOM 305 N N . HIS A 1 38 ? -8.577 3.903 6.362 1.00 96.73 38 A 1 ATOM 306 C CA . HIS A 1 38 ? -9.137 4.942 5.513 1.00 96.58 38 A 1 ATOM 307 C C . HIS A 1 38 ? -9.022 4.514 4.046 1.00 97.34 38 A 1 ATOM 308 O O . HIS A 1 38 ? -7.925 4.404 3.498 1.00 96.59 38 A 1 ATOM 309 C CB . HIS A 1 38 ? -8.439 6.275 5.806 1.00 94.54 38 A 1 ATOM 310 C CG . HIS A 1 38 ? -9.079 7.482 5.162 1.00 85.16 38 A 1 ATOM 311 N ND1 . HIS A 1 38 ? -8.549 8.762 5.208 1.00 71.27 38 A 1 ATOM 312 C CD2 . HIS A 1 38 ? -10.263 7.571 4.484 1.00 72.22 38 A 1 ATOM 313 C CE1 . HIS A 1 38 ? -9.397 9.583 4.573 1.00 70.97 38 A 1 ATOM 314 N NE2 . HIS A 1 38 ? -10.455 8.901 4.115 1.00 73.94 38 A 1 ATOM 315 N N . CYS A 1 39 ? -10.168 4.236 3.416 1.00 97.37 39 A 1 ATOM 316 C CA . CYS A 1 39 ? -10.215 3.778 2.033 1.00 97.73 39 A 1 ATOM 317 C C . CYS A 1 39 ? -11.546 4.115 1.356 1.00 97.89 39 A 1 ATOM 318 O O . CYS A 1 39 ? -12.522 4.491 2.006 1.00 97.43 39 A 1 ATOM 319 C CB . CYS A 1 39 ? -9.909 2.273 1.993 1.00 97.49 39 A 1 ATOM 320 S SG . CYS A 1 39 ? -11.227 1.292 2.769 1.00 97.49 39 A 1 ATOM 321 N N . TRP A 1 40 ? -11.576 3.969 0.039 1.00 97.82 40 A 1 ATOM 322 C CA . TRP A 1 40 ? -12.783 4.089 -0.776 1.00 97.76 40 A 1 ATOM 323 C C . TRP A 1 40 ? -12.910 2.893 -1.708 1.00 97.63 40 A 1 ATOM 324 O O . TRP A 1 40 ? -11.935 2.480 -2.340 1.00 97.11 40 A 1 ATOM 325 C CB . TRP A 1 40 ? -12.764 5.401 -1.569 1.00 97.43 40 A 1 ATOM 326 C CG . TRP A 1 40 ? -12.644 6.634 -0.731 1.00 96.53 40 A 1 ATOM 327 C CD1 . TRP A 1 40 ? -13.674 7.321 -0.182 1.00 93.16 40 A 1 ATOM 328 C CD2 . TRP A 1 40 ? -11.433 7.322 -0.305 1.00 95.42 40 A 1 ATOM 329 N NE1 . TRP A 1 40 ? -13.185 8.388 0.549 1.00 91.05 40 A 1 ATOM 330 C CE2 . TRP A 1 40 ? -11.807 8.441 0.503 1.00 93.72 40 A 1 ATOM 331 C CE3 . TRP A 1 40 ? -10.053 7.118 -0.519 1.00 90.05 40 A 1 ATOM 332 C CZ2 . TRP A 1 40 ? -10.861 9.319 1.058 1.00 90.34 40 A 1 ATOM 333 C CZ3 . TRP A 1 40 ? -9.096 7.989 0.039 1.00 87.25 40 A 1 ATOM 334 C CH2 . TRP A 1 40 ? -9.495 9.089 0.822 1.00 86.48 40 A 1 ATOM 335 N N . LEU A 1 41 ? -14.134 2.379 -1.830 1.00 96.72 41 A 1 ATOM 336 C CA . LEU A 1 41 ? -14.476 1.325 -2.773 1.00 96.38 41 A 1 ATOM 337 C C . LEU A 1 41 ? -15.192 1.946 -3.973 1.00 95.56 41 A 1 ATOM 338 O O . LEU A 1 41 ? -16.193 2.645 -3.819 1.00 94.36 41 A 1 ATOM 339 C CB . LEU A 1 41 ? -15.317 0.244 -2.080 1.00 96.49 41 A 1 ATOM 340 C CG . LEU A 1 41 ? -14.666 -0.392 -0.836 1.00 96.15 41 A 1 ATOM 341 C CD1 . LEU A 1 41 ? -15.552 -1.527 -0.332 1.00 94.96 41 A 1 ATOM 342 C CD2 . LEU A 1 41 ? -13.270 -0.952 -1.115 1.00 94.91 41 A 1 ATOM 343 N N . SER A 1 42 ? -14.662 1.721 -5.166 1.00 94.44 42 A 1 ATOM 344 C CA . SER A 1 42 ? -15.298 2.174 -6.399 1.00 93.02 42 A 1 ATOM 345 C C . SER A 1 42 ? -16.444 1.231 -6.788 1.00 92.93 42 A 1 ATOM 346 O O . SER A 1 42 ? -16.243 0.015 -6.754 1.00 92.29 42 A 1 ATOM 347 C CB . SER A 1 42 ? -14.275 2.233 -7.529 1.00 90.77 42 A 1 ATOM 348 O OG . SER A 1 42 ? -14.908 2.667 -8.718 1.00 79.89 42 A 1 ATOM 349 N N . PRO A 1 43 ? -17.592 1.756 -7.266 1.00 91.71 43 A 1 ATOM 350 C CA . PRO A 1 43 ? -18.621 0.944 -7.917 1.00 90.28 43 A 1 ATOM 351 C C . PRO A 1 43 ? -18.113 0.161 -9.139 1.00 88.84 43 A 1 ATOM 352 O O . PRO A 1 43 ? -18.761 -0.777 -9.580 1.00 85.35 43 A 1 ATOM 353 C CB . PRO A 1 43 ? -19.717 1.929 -8.338 1.00 89.13 43 A 1 ATOM 354 C CG . PRO A 1 43 ? -19.528 3.116 -7.397 1.00 88.08 43 A 1 ATOM 355 C CD . PRO A 1 43 ? -18.012 3.147 -7.202 1.00 90.89 43 A 1 ATOM 356 N N . GLU A 1 44 ? -16.966 0.549 -9.685 1.00 88.69 44 A 1 ATOM 357 C CA . GLU A 1 44 ? -16.293 -0.109 -10.811 1.00 87.41 44 A 1 ATOM 358 C C . GLU A 1 44 ? -15.285 -1.191 -10.354 1.00 88.13 44 A 1 ATOM 359 O O . GLU A 1 44 ? -14.510 -1.694 -11.162 1.00 86.28 44 A 1 ATOM 360 C CB . GLU A 1 44 ? -15.642 0.964 -11.710 1.00 85.28 44 A 1 ATOM 361 C CG . GLU A 1 44 ? -16.613 2.049 -12.230 1.00 80.28 44 A 1 ATOM 362 C CD . GLU A 1 44 ? -15.878 3.203 -12.960 1.00 75.34 44 A 1 ATOM 363 O OE1 . GLU A 1 44 ? -16.354 3.695 -14.010 1.00 68.11 44 A 1 ATOM 364 O OE2 . GLU A 1 44 ? -14.810 3.646 -12.485 1.00 66.70 44 A 1 ATOM 365 N N . GLY A 1 45 ? -15.280 -1.557 -9.069 1.00 90.32 45 A 1 ATOM 366 C CA . GLY A 1 45 ? -14.603 -2.760 -8.574 1.00 90.62 45 A 1 ATOM 367 C C . GLY A 1 45 ? -13.138 -2.600 -8.158 1.00 91.78 45 A 1 ATOM 368 O O . GLY A 1 45 ? -12.375 -3.564 -8.230 1.00 90.74 45 A 1 ATOM 369 N N . TRP A 1 46 ? -12.709 -1.421 -7.681 1.00 92.50 46 A 1 ATOM 370 C CA . TRP A 1 46 ? -11.370 -1.262 -7.099 1.00 92.93 46 A 1 ATOM 371 C C . TRP A 1 46 ? -11.359 -0.536 -5.752 1.00 94.44 46 A 1 ATOM 372 O O . TRP A 1 46 ? -12.185 0.320 -5.455 1.00 94.21 46 A 1 ATOM 373 C CB . TRP A 1 46 ? -10.396 -0.607 -8.087 1.00 89.99 46 A 1 ATOM 374 C CG . TRP A 1 46 ? -10.745 0.785 -8.506 1.00 87.68 46 A 1 ATOM 375 C CD1 . TRP A 1 46 ? -10.495 1.933 -7.840 1.00 81.18 46 A 1 ATOM 376 C CD2 . TRP A 1 46 ? -11.429 1.173 -9.723 1.00 83.26 46 A 1 ATOM 377 N NE1 . TRP A 1 46 ? -10.987 3.010 -8.556 1.00 77.94 46 A 1 ATOM 378 C CE2 . TRP A 1 46 ? -11.575 2.593 -9.727 1.00 81.99 46 A 1 ATOM 379 C CE3 . TRP A 1 46 ? -11.943 0.458 -10.826 1.00 73.47 46 A 1 ATOM 380 C CZ2 . TRP A 1 46 ? -12.224 3.271 -10.767 1.00 73.51 46 A 1 ATOM 381 C CZ3 . TRP A 1 46 ? -12.591 1.128 -11.871 1.00 72.52 46 A 1 ATOM 382 C CH2 . TRP A 1 46 ? -12.736 2.525 -11.840 1.00 73.45 46 A 1 ATOM 383 N N . LEU A 1 47 ? -10.346 -0.872 -4.954 1.00 95.38 47 A 1 ATOM 384 C CA . LEU A 1 47 ? -9.978 -0.192 -3.718 1.00 96.06 47 A 1 ATOM 385 C C . LEU A 1 47 ? -9.115 1.032 -4.037 1.00 95.91 47 A 1 ATOM 386 O O . LEU A 1 47 ? -8.209 0.951 -4.861 1.00 95.71 47 A 1 ATOM 387 C CB . LEU A 1 47 ? -9.228 -1.202 -2.832 1.00 96.81 47 A 1 ATOM 388 C CG . LEU A 1 47 ? -8.554 -0.620 -1.576 1.00 96.94 47 A 1 ATOM 389 C CD1 . LEU A 1 47 ? -9.577 -0.165 -0.543 1.00 96.49 47 A 1 ATOM 390 C CD2 . LEU A 1 47 ? -7.644 -1.671 -0.941 1.00 96.62 47 A 1 ATOM 391 N N . THR A 1 48 ? -9.336 2.127 -3.320 1.00 96.64 48 A 1 ATOM 392 C CA . THR A 1 48 ? -8.433 3.285 -3.264 1.00 96.77 48 A 1 ATOM 393 C C . THR A 1 48 ? -8.027 3.545 -1.820 1.00 97.32 48 A 1 ATOM 394 O O . THR A 1 48 ? -8.888 3.626 -0.949 1.00 97.40 48 A 1 ATOM 395 C CB . THR A 1 48 ? -9.089 4.537 -3.857 1.00 96.05 48 A 1 ATOM 396 O OG1 . THR A 1 48 ? -9.501 4.280 -5.184 1.00 94.53 48 A 1 ATOM 397 C CG2 . THR A 1 48 ? -8.140 5.736 -3.909 1.00 94.52 48 A 1 ATOM 398 N N . VAL A 1 49 ? -6.732 3.719 -1.568 1.00 97.55 49 A 1 ATOM 399 C CA . VAL A 1 49 ? -6.189 4.145 -0.273 1.00 97.62 49 A 1 ATOM 400 C C . VAL A 1 49 ? -5.460 5.482 -0.424 1.00 97.36 49 A 1 ATOM 401 O O . VAL A 1 49 ? -4.775 5.691 -1.434 1.00 97.11 49 A 1 ATOM 402 C CB . VAL A 1 49 ? -5.286 3.080 0.377 1.00 97.74 49 A 1 ATOM 403 C CG1 . VAL A 1 49 ? -6.071 1.800 0.689 1.00 97.11 49 A 1 ATOM 404 C CG2 . VAL A 1 49 ? -4.060 2.707 -0.473 1.00 96.72 49 A 1 ATOM 405 N N . PRO A 1 50 ? -5.589 6.417 0.540 1.00 97.90 50 A 1 ATOM 406 C CA . PRO A 1 50 ? -4.876 7.686 0.505 1.00 97.91 50 A 1 ATOM 407 C C . PRO A 1 50 ? -3.388 7.503 0.823 1.00 97.87 50 A 1 ATOM 408 O O . PRO A 1 50 ? -2.985 6.577 1.526 1.00 97.48 50 A 1 ATOM 409 C CB . PRO A 1 50 ? -5.570 8.558 1.550 1.00 97.70 50 A 1 ATOM 410 C CG . PRO A 1 50 ? -6.032 7.541 2.591 1.00 97.32 50 A 1 ATOM 411 C CD . PRO A 1 50 ? -6.396 6.325 1.748 1.00 97.75 50 A 1 ATOM 412 N N . LEU A 1 51 ? -2.572 8.430 0.336 1.00 97.40 51 A 1 ATOM 413 C CA . LEU A 1 51 ? -1.152 8.522 0.651 1.00 97.24 51 A 1 ATOM 414 C C . LEU A 1 51 ? -0.867 9.877 1.292 1.00 97.00 51 A 1 ATOM 415 O O . LEU A 1 51 ? -0.975 10.919 0.639 1.00 96.39 51 A 1 ATOM 416 C CB . LEU A 1 51 ? -0.306 8.305 -0.611 1.00 97.03 51 A 1 ATOM 417 C CG . LEU A 1 51 ? -0.534 6.961 -1.315 1.00 96.57 51 A 1 ATOM 418 C CD1 . LEU A 1 51 ? 0.377 6.882 -2.545 1.00 95.85 51 A 1 ATOM 419 C CD2 . LEU A 1 51 ? -0.238 5.761 -0.412 1.00 95.83 51 A 1 ATOM 420 N N . TYR A 1 52 ? -0.480 9.852 2.560 1.00 96.91 52 A 1 ATOM 421 C CA . TYR A 1 52 ? -0.113 11.032 3.327 1.00 96.30 52 A 1 ATOM 422 C C . TYR A 1 52 ? 1.406 11.192 3.407 1.00 95.83 52 A 1 ATOM 423 O O . TYR A 1 52 ? 2.170 10.225 3.396 1.00 94.92 52 A 1 ATOM 424 C CB . TYR A 1 52 ? -0.767 10.978 4.710 1.00 96.15 52 A 1 ATOM 425 C CG . TYR A 1 52 ? -2.284 10.851 4.672 1.00 96.37 52 A 1 ATOM 426 C CD1 . TYR A 1 52 ? -3.081 11.967 4.341 1.00 94.71 52 A 1 ATOM 427 C CD2 . TYR A 1 52 ? -2.898 9.614 4.953 1.00 95.13 52 A 1 ATOM 428 C CE1 . TYR A 1 52 ? -4.487 11.849 4.299 1.00 94.20 52 A 1 ATOM 429 C CE2 . TYR A 1 52 ? -4.302 9.496 4.911 1.00 94.42 52 A 1 ATOM 430 C CZ . TYR A 1 52 ? -5.100 10.614 4.585 1.00 94.94 52 A 1 ATOM 431 O OH . TYR A 1 52 ? -6.453 10.497 4.549 1.00 93.70 52 A 1 ATOM 432 N N . ASP A 1 53 ? 1.864 12.437 3.481 1.00 95.45 53 A 1 ATOM 433 C CA . ASP A 1 53 ? 3.230 12.710 3.916 1.00 94.86 53 A 1 ATOM 434 C C . ASP A 1 53 ? 3.328 12.760 5.452 1.00 94.75 53 A 1 ATOM 435 O O . ASP A 1 53 ? 2.336 12.707 6.173 1.00 93.90 53 A 1 ATOM 436 C CB . ASP A 1 53 ? 3.792 13.958 3.218 1.00 93.79 53 A 1 ATOM 437 C CG . ASP A 1 53 ? 3.213 15.305 3.661 1.00 93.51 53 A 1 ATOM 438 O OD1 . ASP A 1 53 ? 2.582 15.403 4.729 1.00 92.01 53 A 1 ATOM 439 O OD2 . ASP A 1 53 ? 3.457 16.289 2.920 1.00 90.81 53 A 1 ATOM 440 N N . PHE A 1 54 ? 4.553 12.907 5.971 1.00 94.72 54 A 1 ATOM 441 C CA . PHE A 1 54 ? 4.811 12.949 7.416 1.00 94.25 54 A 1 ATOM 442 C C . PHE A 1 54 ? 4.262 14.197 8.130 1.00 93.90 54 A 1 ATOM 443 O O . PHE A 1 54 ? 4.329 14.266 9.353 1.00 91.61 54 A 1 ATOM 444 C CB . PHE A 1 54 ? 6.316 12.801 7.661 1.00 93.69 54 A 1 ATOM 445 C CG . PHE A 1 54 ? 6.890 11.503 7.133 1.00 93.68 54 A 1 ATOM 446 C CD1 . PHE A 1 54 ? 6.659 10.303 7.830 1.00 91.43 54 A 1 ATOM 447 C CD2 . PHE A 1 54 ? 7.622 11.485 5.934 1.00 91.78 54 A 1 ATOM 448 C CE1 . PHE A 1 54 ? 7.158 9.089 7.328 1.00 90.54 54 A 1 ATOM 449 C CE2 . PHE A 1 54 ? 8.121 10.267 5.430 1.00 90.72 54 A 1 ATOM 450 C CZ . PHE A 1 54 ? 7.887 9.069 6.126 1.00 91.08 54 A 1 ATOM 451 N N . SER A 1 55 ? 3.728 15.179 7.398 1.00 94.55 55 A 1 ATOM 452 C CA . SER A 1 55 ? 2.988 16.313 7.967 1.00 94.26 55 A 1 ATOM 453 C C . SER A 1 55 ? 1.474 16.076 8.012 1.00 94.31 55 A 1 ATOM 454 O O . SER A 1 55 ? 0.736 16.949 8.452 1.00 92.84 55 A 1 ATOM 455 C CB . SER A 1 55 ? 3.346 17.610 7.236 1.00 93.76 55 A 1 ATOM 456 O OG . SER A 1 55 ? 2.808 17.699 5.931 1.00 91.08 55 A 1 ATOM 457 N N . GLY A 1 56 ? 1.011 14.908 7.561 1.00 94.30 56 A 1 ATOM 458 C CA . GLY A 1 56 ? -0.408 14.560 7.482 1.00 94.50 56 A 1 ATOM 459 C C . GLY A 1 56 ? -1.119 15.119 6.246 1.00 95.55 56 A 1 ATOM 460 O O . GLY A 1 56 ? -2.336 15.003 6.137 1.00 94.95 56 A 1 ATOM 461 N N . MET A 1 57 ? -0.401 15.735 5.304 1.00 95.68 57 A 1 ATOM 462 C CA . MET A 1 57 ? -1.007 16.226 4.068 1.00 96.12 57 A 1 ATOM 463 C C . MET A 1 57 ? -1.224 15.089 3.076 1.00 96.47 57 A 1 ATOM 464 O O . MET A 1 57 ? -0.305 14.312 2.803 1.00 95.85 57 A 1 ATOM 465 C CB . MET A 1 57 ? -0.162 17.320 3.411 1.00 95.44 57 A 1 ATOM 466 C CG . MET A 1 57 ? -0.037 18.587 4.261 1.00 84.27 57 A 1 ATOM 467 S SD . MET A 1 57 ? 0.800 19.958 3.404 1.00 77.46 57 A 1 ATOM 468 C CE . MET A 1 57 ? -0.493 20.434 2.228 1.00 65.77 57 A 1 ATOM 469 N N . LEU A 1 58 ? -2.412 15.047 2.463 1.00 96.27 58 A 1 ATOM 470 C CA . LEU A 1 58 ? -2.700 14.153 1.342 1.00 96.70 58 A 1 ATOM 471 C C . LEU A 1 58 ? -1.818 14.522 0.137 1.00 96.97 58 A 1 ATOM 472 O O . LEU A 1 58 ? -1.849 15.653 -0.348 1.00 96.46 58 A 1 ATOM 473 C CB . LEU A 1 58 ? -4.201 14.233 1.006 1.00 96.32 58 A 1 ATOM 474 C CG . LEU A 1 58 ? -4.651 13.267 -0.110 1.00 95.62 58 A 1 ATOM 475 C CD1 . LEU A 1 58 ? -4.563 11.804 0.324 1.00 93.76 58 A 1 ATOM 476 C CD2 . LEU A 1 58 ? -6.100 13.556 -0.500 1.00 93.55 58 A 1 ATOM 477 N N . ARG A 1 59 ? -1.043 13.549 -0.352 1.00 96.64 59 A 1 ATOM 478 C CA . ARG A 1 59 ? -0.128 13.707 -1.495 1.00 96.38 59 A 1 ATOM 479 C C . ARG A 1 59 ? -0.509 12.877 -2.709 1.00 96.33 59 A 1 ATOM 480 O O . ARG A 1 59 ? -0.013 13.146 -3.806 1.00 95.17 59 A 1 ATOM 481 C CB . ARG A 1 59 ? 1.304 13.388 -1.049 1.00 96.03 59 A 1 ATOM 482 C CG . ARG A 1 59 ? 1.850 14.357 -0.000 1.00 94.55 59 A 1 ATOM 483 C CD . ARG A 1 59 ? 1.863 15.807 -0.514 1.00 92.63 59 A 1 ATOM 484 N NE . ARG A 1 59 ? 2.482 16.703 0.465 1.00 90.39 59 A 1 ATOM 485 C CZ . ARG A 1 59 ? 2.638 17.999 0.371 1.00 87.99 59 A 1 ATOM 486 N NH1 . ARG A 1 59 ? 2.259 18.671 -0.682 1.00 82.54 59 A 1 ATOM 487 N NH2 . ARG A 1 59 ? 3.184 18.647 1.356 1.00 82.00 59 A 1 ATOM 488 N N . GLY A 1 60 ? -1.385 11.911 -2.535 1.00 96.28 60 A 1 ATOM 489 C CA . GLY A 1 60 ? -1.809 11.036 -3.611 1.00 96.20 60 A 1 ATOM 490 C C . GLY A 1 60 ? -2.651 9.878 -3.119 1.00 96.69 60 A 1 ATOM 491 O O . GLY A 1 60 ? -3.241 9.933 -2.039 1.00 96.48 60 A 1 ATOM 492 N N . TYR A 1 61 ? -2.693 8.842 -3.937 1.00 95.86 61 A 1 ATOM 493 C CA . TYR A 1 61 ? -3.440 7.628 -3.653 1.00 95.43 61 A 1 ATOM 494 C C . TYR A 1 61 ? -2.807 6.425 -4.351 1.00 95.28 61 A 1 ATOM 495 O O . TYR A 1 61 ? -2.097 6.561 -5.353 1.00 94.72 61 A 1 ATOM 496 C CB . TYR A 1 61 ? -4.903 7.814 -4.083 1.00 94.82 61 A 1 ATOM 497 C CG . TYR A 1 61 ? -5.099 8.083 -5.566 1.00 94.36 61 A 1 ATOM 498 C CD1 . TYR A 1 61 ? -5.085 9.405 -6.059 1.00 93.14 61 A 1 ATOM 499 C CD2 . TYR A 1 61 ? -5.295 7.011 -6.458 1.00 93.05 61 A 1 ATOM 500 C CE1 . TYR A 1 61 ? -5.269 9.654 -7.432 1.00 92.11 61 A 1 ATOM 501 C CE2 . TYR A 1 61 ? -5.478 7.254 -7.833 1.00 92.21 61 A 1 ATOM 502 C CZ . TYR A 1 61 ? -5.468 8.577 -8.320 1.00 91.57 61 A 1 ATOM 503 O OH . TYR A 1 61 ? -5.655 8.811 -9.648 1.00 89.73 61 A 1 ATOM 504 N N . GLN A 1 62 ? -3.096 5.237 -3.846 1.00 95.68 62 A 1 ATOM 505 C CA . GLN A 1 62 ? -2.884 3.983 -4.553 1.00 95.75 62 A 1 ATOM 506 C C . GLN A 1 62 ? -4.233 3.304 -4.771 1.00 95.83 62 A 1 ATOM 507 O O . GLN A 1 62 ? -5.065 3.268 -3.871 1.00 95.76 62 A 1 ATOM 508 C CB . GLN A 1 62 ? -1.874 3.095 -3.802 1.00 95.47 62 A 1 ATOM 509 C CG . GLN A 1 62 ? -1.677 1.735 -4.489 1.00 94.32 62 A 1 ATOM 510 C CD . GLN A 1 62 ? -0.482 0.960 -3.942 1.00 93.48 62 A 1 ATOM 511 O OE1 . GLN A 1 62 ? -0.577 0.159 -3.032 1.00 87.90 62 A 1 ATOM 512 N NE2 . GLN A 1 62 ? 0.693 1.153 -4.503 1.00 86.34 62 A 1 ATOM 513 N N . THR A 1 63 ? -4.438 2.743 -5.958 1.00 94.62 63 A 1 ATOM 514 C CA . THR A 1 63 ? -5.577 1.869 -6.246 1.00 94.17 63 A 1 ATOM 515 C C . THR A 1 63 ? -5.127 0.422 -6.369 1.00 94.09 63 A 1 ATOM 516 O O . THR A 1 63 ? -4.022 0.137 -6.835 1.00 93.64 63 A 1 ATOM 517 C CB . THR A 1 63 ? -6.375 2.292 -7.487 1.00 93.23 63 A 1 ATOM 518 O OG1 . THR A 1 63 ? -5.580 2.203 -8.638 1.00 88.57 63 A 1 ATOM 519 C CG2 . THR A 1 63 ? -6.881 3.724 -7.382 1.00 88.34 63 A 1 ATOM 520 N N . TYR A 1 64 ? -6.010 -0.481 -5.971 1.00 94.44 64 A 1 ATOM 521 C CA . TYR A 1 64 ? -5.927 -1.909 -6.221 1.00 94.60 64 A 1 ATOM 522 C C . TYR A 1 64 ? -7.173 -2.352 -6.980 1.00 94.55 64 A 1 ATOM 523 O O . TYR A 1 64 ? -8.277 -2.288 -6.446 1.00 94.30 64 A 1 ATOM 524 C CB . TYR A 1 64 ? -5.776 -2.665 -4.898 1.00 94.77 64 A 1 ATOM 525 C CG . TYR A 1 64 ? -5.930 -4.169 -5.048 1.00 95.05 64 A 1 ATOM 526 C CD1 . TYR A 1 64 ? -7.059 -4.825 -4.514 1.00 94.43 64 A 1 ATOM 527 C CD2 . TYR A 1 64 ? -4.965 -4.908 -5.758 1.00 94.74 64 A 1 ATOM 528 C CE1 . TYR A 1 64 ? -7.210 -6.216 -4.674 1.00 94.54 64 A 1 ATOM 529 C CE2 . TYR A 1 64 ? -5.114 -6.298 -5.924 1.00 94.62 64 A 1 ATOM 530 C CZ . TYR A 1 64 ? -6.235 -6.955 -5.378 1.00 94.68 64 A 1 ATOM 531 O OH . TYR A 1 64 ? -6.374 -8.301 -5.530 1.00 94.09 64 A 1 ATOM 532 N N . ASN A 1 65 ? -6.987 -2.788 -8.218 1.00 93.52 65 A 1 ATOM 533 C CA . ASN A 1 65 ? -8.029 -3.322 -9.086 1.00 92.72 65 A 1 ATOM 534 C C . ASN A 1 65 ? -7.779 -4.827 -9.301 1.00 92.61 65 A 1 ATOM 535 O O . ASN A 1 65 ? -6.861 -5.191 -10.043 1.00 91.52 65 A 1 ATOM 536 C CB . ASN A 1 65 ? -8.046 -2.511 -10.393 1.00 91.24 65 A 1 ATOM 537 C CG . ASN A 1 65 ? -9.135 -2.967 -11.347 1.00 89.22 65 A 1 ATOM 538 O OD1 . ASN A 1 65 ? -9.728 -4.025 -11.199 1.00 85.25 65 A 1 ATOM 539 N ND2 . ASN A 1 65 ? -9.426 -2.189 -12.364 1.00 83.87 65 A 1 ATOM 540 N N . PRO A 1 66 ? -8.548 -5.716 -8.646 1.00 93.25 66 A 1 ATOM 541 C CA . PRO A 1 66 ? -8.334 -7.157 -8.763 1.00 92.48 66 A 1 ATOM 542 C C . PRO A 1 66 ? -8.537 -7.692 -10.184 1.00 91.38 66 A 1 ATOM 543 O O . PRO A 1 66 ? -7.885 -8.679 -10.542 1.00 89.06 66 A 1 ATOM 544 C CB . PRO A 1 66 ? -9.313 -7.792 -7.771 1.00 92.27 66 A 1 ATOM 545 C CG . PRO A 1 66 ? -10.419 -6.755 -7.619 1.00 91.80 66 A 1 ATOM 546 C CD . PRO A 1 66 ? -9.673 -5.432 -7.770 1.00 93.60 66 A 1 ATOM 547 N N . SER A 1 67 ? -9.371 -7.015 -10.980 1.00 89.87 67 A 1 ATOM 548 C CA . SER A 1 67 ? -9.729 -7.394 -12.352 1.00 88.22 67 A 1 ATOM 549 C C . SER A 1 67 ? -8.725 -6.915 -13.405 1.00 87.87 67 A 1 ATOM 550 O O . SER A 1 67 ? -8.685 -7.456 -14.508 1.00 84.87 67 A 1 ATOM 551 C CB . SER A 1 67 ? -11.113 -6.826 -12.681 1.00 86.69 67 A 1 ATOM 552 O OG . SER A 1 67 ? -12.061 -7.295 -11.737 1.00 79.49 67 A 1 ATOM 553 N N . ALA A 1 68 ? -7.888 -5.924 -13.079 1.00 84.46 68 A 1 ATOM 554 C CA . ALA A 1 68 ? -6.902 -5.402 -14.021 1.00 83.63 68 A 1 ATOM 555 C C . ALA A 1 68 ? -5.629 -6.279 -14.086 1.00 83.41 68 A 1 ATOM 556 O O . ALA A 1 68 ? -5.264 -6.954 -13.114 1.00 81.73 68 A 1 ATOM 557 C CB . ALA A 1 68 ? -6.600 -3.942 -13.668 1.00 82.23 68 A 1 ATOM 558 N N . PRO A 1 69 ? -4.902 -6.264 -15.219 1.00 82.67 69 A 1 ATOM 559 C CA . PRO A 1 69 ? -3.679 -7.040 -15.377 1.00 81.44 69 A 1 ATOM 560 C C . PRO A 1 69 ? -2.553 -6.557 -14.447 1.00 81.86 69 A 1 ATOM 561 O O . PRO A 1 69 ? -2.467 -5.388 -14.055 1.00 78.01 69 A 1 ATOM 562 C CB . PRO A 1 69 ? -3.305 -6.919 -16.859 1.00 78.34 69 A 1 ATOM 563 C CG . PRO A 1 69 ? -3.904 -5.574 -17.263 1.00 78.63 69 A 1 ATOM 564 C CD . PRO A 1 69 ? -5.181 -5.506 -16.435 1.00 82.92 69 A 1 ATOM 565 N N . LYS A 1 70 ? -1.626 -7.468 -14.123 1.00 78.96 70 A 1 ATOM 566 C CA . LYS A 1 70 ? -0.357 -7.084 -13.487 1.00 77.37 70 A 1 ATOM 567 C C . LYS A 1 70 ? 0.488 -6.284 -14.485 1.00 75.97 70 A 1 ATOM 568 O O . LYS A 1 70 ? 0.610 -6.682 -15.636 1.00 70.65 70 A 1 ATOM 569 C CB . LYS A 1 70 ? 0.424 -8.314 -12.988 1.00 73.70 70 A 1 ATOM 570 C CG . LYS A 1 70 ? -0.224 -9.012 -11.778 1.00 67.89 70 A 1 ATOM 571 C CD . LYS A 1 70 ? 0.693 -10.131 -11.249 1.00 65.15 70 A 1 ATOM 572 C CE . LYS A 1 70 ? 0.098 -10.823 -10.015 1.00 60.63 70 A 1 ATOM 573 N NZ . LYS A 1 70 ? 1.015 -11.855 -9.443 1.00 52.70 70 A 1 ATOM 574 N N . GLY A 1 71 ? 1.102 -5.202 -14.031 1.00 76.37 71 A 1 ATOM 575 C CA . GLY A 1 71 ? 1.962 -4.361 -14.869 1.00 74.76 71 A 1 ATOM 576 C C . GLY A 1 71 ? 1.799 -2.875 -14.569 1.00 76.61 71 A 1 ATOM 577 O O . GLY A 1 71 ? 1.218 -2.496 -13.551 1.00 70.53 71 A 1 ATOM 578 N N . HIS A 1 72 ? 2.341 -2.050 -15.454 1.00 76.85 72 A 1 ATOM 579 C CA . HIS A 1 72 ? 2.222 -0.599 -15.365 1.00 75.58 72 A 1 ATOM 580 C C . HIS A 1 72 ? 1.045 -0.113 -16.215 1.00 75.68 72 A 1 ATOM 581 O O . HIS A 1 72 ? 0.953 -0.471 -17.384 1.00 69.24 72 A 1 ATOM 582 C CB . HIS A 1 72 ? 3.538 0.058 -15.802 1.00 70.72 72 A 1 ATOM 583 C CG . HIS A 1 72 ? 4.702 -0.305 -14.912 1.00 65.33 72 A 1 ATOM 584 N ND1 . HIS A 1 72 ? 4.849 0.034 -13.589 1.00 59.42 72 A 1 ATOM 585 C CD2 . HIS A 1 72 ? 5.798 -1.055 -15.256 1.00 57.06 72 A 1 ATOM 586 C CE1 . HIS A 1 72 ? 6.000 -0.495 -13.146 1.00 54.68 72 A 1 ATOM 587 N NE2 . HIS A 1 72 ? 6.615 -1.166 -14.127 1.00 56.13 72 A 1 ATOM 588 N N . GLY A 1 73 ? 0.194 0.727 -15.631 1.00 75.92 73 A 1 ATOM 589 C CA . GLY A 1 73 ? -0.886 1.420 -16.328 1.00 76.39 73 A 1 ATOM 590 C C . GLY A 1 73 ? -0.760 2.930 -16.169 1.00 78.22 73 A 1 ATOM 591 O O . GLY A 1 73 ? -0.057 3.420 -15.277 1.00 74.41 73 A 1 ATOM 592 N N . LYS A 1 74 ? -1.447 3.672 -17.041 1.00 73.48 74 A 1 ATOM 593 C CA . LYS A 1 74 ? -1.529 5.142 -16.978 1.00 73.34 74 A 1 ATOM 594 C C . LYS A 1 74 ? -2.687 5.626 -16.106 1.00 74.15 74 A 1 ATOM 595 O O . LYS A 1 74 ? -2.731 6.803 -15.755 1.00 69.84 74 A 1 ATOM 596 C CB . LYS A 1 74 ? -1.647 5.714 -18.391 1.00 70.22 74 A 1 ATOM 597 C CG . LYS A 1 74 ? -0.418 5.418 -19.253 1.00 67.43 74 A 1 ATOM 598 C CD . LYS A 1 74 ? -0.634 6.002 -20.652 1.00 61.58 74 A 1 ATOM 599 C CE . LYS A 1 74 ? 0.567 5.686 -21.540 1.00 58.12 74 A 1 ATOM 600 N NZ . LYS A 1 74 ? 0.318 6.126 -22.932 1.00 48.62 74 A 1 ATOM 601 N N . CYS A 1 75 ? -3.614 4.734 -15.776 1.00 76.97 75 A 1 ATOM 602 C CA . CYS A 1 75 ? -4.772 5.016 -14.937 1.00 76.73 75 A 1 ATOM 603 C C . CYS A 1 75 ? -5.185 3.775 -14.116 1.00 77.49 75 A 1 ATOM 604 O O . CYS A 1 75 ? -4.744 2.660 -14.420 1.00 73.67 75 A 1 ATOM 605 C CB . CYS A 1 75 ? -5.902 5.539 -15.837 1.00 71.63 75 A 1 ATOM 606 S SG . CYS A 1 75 ? -6.550 4.218 -16.897 1.00 65.36 75 A 1 ATOM 607 N N . PRO A 1 76 ? -6.062 3.934 -13.101 1.00 73.26 76 A 1 ATOM 608 C CA . PRO A 1 76 ? -6.524 2.835 -12.249 1.00 70.69 76 A 1 ATOM 609 C C . PRO A 1 76 ? -7.154 1.640 -12.981 1.00 72.41 76 A 1 ATOM 610 O O . PRO A 1 76 ? -7.160 0.533 -12.455 1.00 70.63 76 A 1 ATOM 611 C CB . PRO A 1 76 ? -7.548 3.477 -11.305 1.00 67.25 76 A 1 ATOM 612 C CG . PRO A 1 76 ? -7.070 4.917 -11.179 1.00 64.16 76 A 1 ATOM 613 C CD . PRO A 1 76 ? -6.560 5.213 -12.584 1.00 68.09 76 A 1 ATOM 614 N N . PHE A 1 77 ? -7.677 1.857 -14.193 1.00 72.08 77 A 1 ATOM 615 C CA . PHE A 1 77 ? -8.318 0.810 -14.997 1.00 70.62 77 A 1 ATOM 616 C C . PHE A 1 77 ? -7.313 -0.132 -15.675 1.00 73.77 77 A 1 ATOM 617 O O . PHE A 1 77 ? -7.636 -1.269 -15.982 1.00 70.20 77 A 1 ATOM 618 C CB . PHE A 1 77 ? -9.183 1.472 -16.073 1.00 64.58 77 A 1 ATOM 619 C CG . PHE A 1 77 ? -10.271 2.383 -15.539 1.00 58.73 77 A 1 ATOM 620 C CD1 . PHE A 1 77 ? -11.542 1.852 -15.264 1.00 53.94 77 A 1 ATOM 621 C CD2 . PHE A 1 77 ? -10.027 3.756 -15.351 1.00 53.11 77 A 1 ATOM 622 C CE1 . PHE A 1 77 ? -12.572 2.699 -14.820 1.00 45.06 77 A 1 ATOM 623 C CE2 . PHE A 1 77 ? -11.058 4.602 -14.898 1.00 46.03 77 A 1 ATOM 624 C CZ . PHE A 1 77 ? -12.331 4.073 -14.641 1.00 44.35 77 A 1 ATOM 625 N N . GLU A 1 78 ? -6.100 0.354 -15.933 1.00 71.94 78 A 1 ATOM 626 C CA . GLU A 1 78 ? -5.105 -0.331 -16.769 1.00 73.08 78 A 1 ATOM 627 C C . GLU A 1 78 ? -4.136 -1.210 -15.970 1.00 75.10 78 A 1 ATOM 628 O O . GLU A 1 78 ? -3.348 -1.953 -16.559 1.00 70.68 78 A 1 ATOM 629 C CB . GLU A 1 78 ? -4.308 0.722 -17.551 1.00 69.42 78 A 1 ATOM 630 C CG . GLU A 1 78 ? -5.112 1.439 -18.644 1.00 66.07 78 A 1 ATOM 631 C CD . GLU A 1 78 ? -4.319 2.591 -19.288 1.00 64.07 78 A 1 ATOM 632 O OE1 . GLU A 1 78 ? -4.929 3.388 -20.036 1.00 59.24 78 A 1 ATOM 633 O OE2 . GLU A 1 78 ? -3.102 2.740 -19.007 1.00 63.69 78 A 1 ATOM 634 N N . ALA A 1 79 ? -4.137 -1.114 -14.644 1.00 83.13 79 A 1 ATOM 635 C CA . ALA A 1 79 ? -3.180 -1.825 -13.804 1.00 84.32 79 A 1 ATOM 636 C C . ALA A 1 79 ? -3.807 -2.332 -12.509 1.00 86.58 79 A 1 ATOM 637 O O . ALA A 1 79 ? -4.555 -1.623 -11.838 1.00 85.24 79 A 1 ATOM 638 C CB . ALA A 1 79 ? -1.993 -0.904 -13.511 1.00 80.96 79 A 1 ATOM 639 N N . LYS A 1 80 ? -3.391 -3.530 -12.105 1.00 87.77 80 A 1 ATOM 640 C CA . LYS A 1 80 ? -3.786 -4.127 -10.824 1.00 89.44 80 A 1 ATOM 641 C C . LYS A 1 80 ? -3.390 -3.258 -9.627 1.00 90.66 80 A 1 ATOM 642 O O . LYS A 1 80 ? -4.132 -3.181 -8.659 1.00 89.89 80 A 1 ATOM 643 C CB . LYS A 1 80 ? -3.183 -5.528 -10.730 1.00 88.65 80 A 1 ATOM 644 C CG . LYS A 1 80 ? -3.707 -6.269 -9.499 1.00 87.19 80 A 1 ATOM 645 C CD . LYS A 1 80 ? -3.490 -7.773 -9.629 1.00 85.05 80 A 1 ATOM 646 C CE . LYS A 1 80 ? -4.261 -8.469 -8.508 1.00 79.72 80 A 1 ATOM 647 N NZ . LYS A 1 80 ? -4.666 -9.844 -8.884 1.00 72.76 80 A 1 ATOM 648 N N . TYR A 1 81 ? -2.244 -2.601 -9.712 1.00 90.49 81 A 1 ATOM 649 C CA . TYR A 1 81 ? -1.785 -1.604 -8.749 1.00 90.56 81 A 1 ATOM 650 C C . TYR A 1 81 ? -1.408 -0.335 -9.506 1.00 90.19 81 A 1 ATOM 651 O O . TYR A 1 81 ? -0.560 -0.371 -10.396 1.00 88.94 81 A 1 ATOM 652 C CB . TYR A 1 81 ? -0.599 -2.133 -7.942 1.00 90.83 81 A 1 ATOM 653 C CG . TYR A 1 81 ? -0.907 -3.386 -7.148 1.00 91.21 81 A 1 ATOM 654 C CD1 . TYR A 1 81 ? -1.514 -3.290 -5.880 1.00 89.28 81 A 1 ATOM 655 C CD2 . TYR A 1 81 ? -0.603 -4.654 -7.688 1.00 89.92 81 A 1 ATOM 656 C CE1 . TYR A 1 81 ? -1.810 -4.457 -5.150 1.00 89.01 81 A 1 ATOM 657 C CE2 . TYR A 1 81 ? -0.899 -5.822 -6.961 1.00 89.40 81 A 1 ATOM 658 C CZ . TYR A 1 81 ? -1.500 -5.725 -5.689 1.00 89.84 81 A 1 ATOM 659 O OH . TYR A 1 81 ? -1.779 -6.853 -4.987 1.00 88.49 81 A 1 ATOM 660 N N . PHE A 1 82 ? -2.027 0.781 -9.133 1.00 91.42 82 A 1 ATOM 661 C CA . PHE A 1 82 ? -1.720 2.089 -9.700 1.00 91.42 82 A 1 ATOM 662 C C . PHE A 1 82 ? -1.464 3.079 -8.569 1.00 92.21 82 A 1 ATOM 663 O O . PHE A 1 82 ? -2.270 3.198 -7.651 1.00 92.15 82 A 1 ATOM 664 C CB . PHE A 1 82 ? -2.864 2.532 -10.616 1.00 90.59 82 A 1 ATOM 665 C CG . PHE A 1 82 ? -2.701 3.940 -11.145 1.00 89.49 82 A 1 ATOM 666 C CD1 . PHE A 1 82 ? -3.309 5.022 -10.479 1.00 87.63 82 A 1 ATOM 667 C CD2 . PHE A 1 82 ? -1.912 4.179 -12.285 1.00 87.68 82 A 1 ATOM 668 C CE1 . PHE A 1 82 ? -3.136 6.335 -10.953 1.00 86.32 82 A 1 ATOM 669 C CE2 . PHE A 1 82 ? -1.741 5.489 -12.760 1.00 85.97 82 A 1 ATOM 670 C CZ . PHE A 1 82 ? -2.354 6.568 -12.096 1.00 85.87 82 A 1 ATOM 671 N N . THR A 1 83 ? -0.345 3.786 -8.623 1.00 92.49 83 A 1 ATOM 672 C CA . THR A 1 83 ? 0.027 4.786 -7.615 1.00 92.59 83 A 1 ATOM 673 C C . THR A 1 83 ? 0.194 6.137 -8.281 1.00 92.39 83 A 1 ATOM 674 O O . THR A 1 83 ? 0.989 6.282 -9.210 1.00 91.37 83 A 1 ATOM 675 C CB . THR A 1 83 ? 1.305 4.392 -6.868 1.00 92.51 83 A 1 ATOM 676 O OG1 . THR A 1 83 ? 1.176 3.107 -6.314 1.00 91.59 83 A 1 ATOM 677 C CG2 . THR A 1 83 ? 1.623 5.346 -5.718 1.00 91.53 83 A 1 ATOM 678 N N . TYR A 1 84 ? -0.522 7.128 -7.774 1.00 92.38 84 A 1 ATOM 679 C CA . TYR A 1 84 ? -0.302 8.527 -8.099 1.00 92.59 84 A 1 ATOM 680 C C . TYR A 1 84 ? 0.093 9.264 -6.826 1.00 93.33 84 A 1 ATOM 681 O O . TYR A 1 84 ? -0.616 9.184 -5.825 1.00 93.30 84 A 1 ATOM 682 C CB . TYR A 1 84 ? -1.559 9.128 -8.729 1.00 92.11 84 A 1 ATOM 683 C CG . TYR A 1 84 ? -1.418 10.616 -8.992 1.00 90.46 84 A 1 ATOM 684 C CD1 . TYR A 1 84 ? -1.878 11.550 -8.035 1.00 86.78 84 A 1 ATOM 685 C CD2 . TYR A 1 84 ? -0.783 11.070 -10.161 1.00 86.46 84 A 1 ATOM 686 C CE1 . TYR A 1 84 ? -1.712 12.930 -8.253 1.00 83.38 84 A 1 ATOM 687 C CE2 . TYR A 1 84 ? -0.616 12.450 -10.387 1.00 83.24 84 A 1 ATOM 688 C CZ . TYR A 1 84 ? -1.081 13.380 -9.433 1.00 83.30 84 A 1 ATOM 689 O OH . TYR A 1 84 ? -0.923 14.717 -9.643 1.00 81.34 84 A 1 ATOM 690 N N . SER A 1 85 ? 1.197 9.999 -6.858 1.00 93.30 85 A 1 ATOM 691 C CA . SER A 1 85 ? 1.597 10.862 -5.750 1.00 93.18 85 A 1 ATOM 692 C C . SER A 1 85 ? 2.485 12.011 -6.223 1.00 93.05 85 A 1 ATOM 693 O O . SER A 1 85 ? 3.315 11.847 -7.113 1.00 91.77 85 A 1 ATOM 694 C CB . SER A 1 85 ? 2.298 10.054 -4.657 1.00 92.51 85 A 1 ATOM 695 O OG . SER A 1 85 ? 2.461 10.879 -3.523 1.00 85.23 85 A 1 ATOM 696 N N . THR A 1 86 ? 2.319 13.185 -5.598 1.00 93.70 86 A 1 ATOM 697 C CA . THR A 1 86 ? 3.145 14.379 -5.864 1.00 93.50 86 A 1 ATOM 698 C C . THR A 1 86 ? 4.548 14.279 -5.257 1.00 93.27 86 A 1 ATOM 699 O O . THR A 1 86 ? 5.450 15.021 -5.631 1.00 91.29 86 A 1 ATOM 700 C CB . THR A 1 86 ? 2.459 15.644 -5.341 1.00 93.63 86 A 1 ATOM 701 O OG1 . THR A 1 86 ? 2.201 15.535 -3.959 1.00 92.34 86 A 1 ATOM 702 C CG2 . THR A 1 86 ? 1.128 15.919 -6.038 1.00 90.73 86 A 1 ATOM 703 N N . THR A 1 87 ? 4.741 13.360 -4.318 1.00 92.78 87 A 1 ATOM 704 C CA . THR A 1 87 ? 6.028 13.006 -3.712 1.00 92.15 87 A 1 ATOM 705 C C . THR A 1 87 ? 6.007 11.533 -3.325 1.00 92.68 87 A 1 ATOM 706 O O . THR A 1 87 ? 4.938 10.948 -3.171 1.00 90.07 87 A 1 ATOM 707 C CB . THR A 1 87 ? 6.328 13.898 -2.498 1.00 89.97 87 A 1 ATOM 708 O OG1 . THR A 1 87 ? 7.617 13.627 -2.001 1.00 84.66 87 A 1 ATOM 709 C CG2 . THR A 1 87 ? 5.350 13.738 -1.330 1.00 84.06 87 A 1 ATOM 710 N N . GLN A 1 88 ? 7.168 10.909 -3.149 1.00 91.11 88 A 1 ATOM 711 C CA . GLN A 1 88 ? 7.193 9.530 -2.661 1.00 90.93 88 A 1 ATOM 712 C C . GLN A 1 88 ? 6.669 9.488 -1.222 1.00 91.08 88 A 1 ATOM 713 O O . GLN A 1 88 ? 7.185 10.189 -0.355 1.00 89.56 88 A 1 ATOM 714 C CB . GLN A 1 88 ? 8.598 8.935 -2.805 1.00 88.55 88 A 1 ATOM 715 C CG . GLN A 1 88 ? 8.556 7.407 -2.628 1.00 83.29 88 A 1 ATOM 716 C CD . GLN A 1 88 ? 9.900 6.726 -2.849 1.00 81.10 88 A 1 ATOM 717 O OE1 . GLN A 1 88 ? 10.978 7.301 -2.754 1.00 77.42 88 A 1 ATOM 718 N NE2 . GLN A 1 88 ? 9.900 5.437 -3.128 1.00 75.33 88 A 1 ATOM 719 N N . CYS A 1 89 ? 5.654 8.662 -0.978 1.00 93.06 89 A 1 ATOM 720 C CA . CYS A 1 89 ? 5.007 8.460 0.314 1.00 93.46 89 A 1 ATOM 721 C C . CYS A 1 89 ? 5.155 7.006 0.763 1.00 94.62 89 A 1 ATOM 722 O O . CYS A 1 89 ? 5.512 6.128 -0.023 1.00 92.95 89 A 1 ATOM 723 C CB . CYS A 1 89 ? 3.529 8.858 0.200 1.00 91.16 89 A 1 ATOM 724 S SG . CYS A 1 89 ? 3.374 10.642 -0.087 1.00 88.57 89 A 1 ATOM 725 N N . VAL A 1 90 ? 4.840 6.767 2.025 1.00 95.54 90 A 1 ATOM 726 C CA . VAL A 1 90 ? 4.513 5.439 2.552 1.00 95.99 90 A 1 ATOM 727 C C . VAL A 1 90 ? 3.025 5.408 2.880 1.00 96.37 90 A 1 ATOM 728 O O . VAL A 1 90 ? 2.437 6.454 3.155 1.00 95.82 90 A 1 ATOM 729 C CB . VAL A 1 90 ? 5.374 5.064 3.773 1.00 95.38 90 A 1 ATOM 730 C CG1 . VAL A 1 90 ? 6.854 4.977 3.388 1.00 93.45 90 A 1 ATOM 731 C CG2 . VAL A 1 90 ? 5.242 6.049 4.941 1.00 92.78 90 A 1 ATOM 732 N N . TRP A 1 91 ? 2.415 4.228 2.849 1.00 97.45 91 A 1 ATOM 733 C CA . TRP A 1 91 ? 1.044 4.037 3.326 1.00 97.93 91 A 1 ATOM 734 C C . TRP A 1 91 ? 1.050 3.550 4.777 1.00 97.96 91 A 1 ATOM 735 O O . TRP A 1 91 ? 1.987 2.856 5.183 1.00 97.65 91 A 1 ATOM 736 C CB . TRP A 1 91 ? 0.312 3.067 2.401 1.00 98.03 91 A 1 ATOM 737 C CG . TRP A 1 91 ? -1.058 2.690 2.868 1.00 98.10 91 A 1 ATOM 738 C CD1 . TRP A 1 91 ? -2.193 3.382 2.621 1.00 97.59 91 A 1 ATOM 739 C CD2 . TRP A 1 91 ? -1.452 1.561 3.705 1.00 98.13 91 A 1 ATOM 740 N NE1 . TRP A 1 91 ? -3.264 2.756 3.237 1.00 97.49 91 A 1 ATOM 741 C CE2 . TRP A 1 91 ? -2.866 1.628 3.920 1.00 97.88 91 A 1 ATOM 742 C CE3 . TRP A 1 91 ? -0.765 0.487 4.308 1.00 97.69 91 A 1 ATOM 743 C CZ2 . TRP A 1 91 ? -3.556 0.672 4.680 1.00 97.44 91 A 1 ATOM 744 C CZ3 . TRP A 1 91 ? -1.451 -0.476 5.076 1.00 97.39 91 A 1 ATOM 745 C CH2 . TRP A 1 91 ? -2.840 -0.389 5.259 1.00 97.07 91 A 1 ATOM 746 N N . GLY A 1 92 ? 0.021 3.901 5.543 1.00 97.68 92 A 1 ATOM 747 C CA . GLY A 1 92 ? -0.222 3.417 6.904 1.00 97.34 92 A 1 ATOM 748 C C . GLY A 1 92 ? 0.273 4.341 8.019 1.00 97.35 92 A 1 ATOM 749 O O . GLY A 1 92 ? 0.277 3.935 9.172 1.00 96.51 92 A 1 ATOM 750 N N . LEU A 1 93 ? 0.712 5.574 7.708 1.00 97.02 93 A 1 ATOM 751 C CA . LEU A 1 93 ? 1.112 6.543 8.745 1.00 96.42 93 A 1 ATOM 752 C C . LEU A 1 93 ? -0.044 6.860 9.703 1.00 95.98 93 A 1 ATOM 753 O O . LEU A 1 93 ? 0.179 7.027 10.892 1.00 94.74 93 A 1 ATOM 754 C CB . LEU A 1 93 ? 1.615 7.843 8.097 1.00 95.91 93 A 1 ATOM 755 C CG . LEU A 1 93 ? 3.001 7.737 7.447 1.00 95.19 93 A 1 ATOM 756 C CD1 . LEU A 1 93 ? 3.282 9.004 6.638 1.00 94.01 93 A 1 ATOM 757 C CD2 . LEU A 1 93 ? 4.119 7.585 8.486 1.00 93.99 93 A 1 ATOM 758 N N . GLU A 1 94 ? -1.259 6.901 9.181 1.00 96.00 94 A 1 ATOM 759 C CA . GLU A 1 94 ? -2.501 7.123 9.914 1.00 95.19 94 A 1 ATOM 760 C C . GLU A 1 94 ? -2.885 5.967 10.853 1.00 95.40 94 A 1 ATOM 761 O O . GLU A 1 94 ? -3.775 6.135 11.675 1.00 94.09 94 A 1 ATOM 762 C CB . GLU A 1 94 ? -3.630 7.429 8.911 1.00 94.04 94 A 1 ATOM 763 C CG . GLU A 1 94 ? -4.157 6.250 8.058 1.00 91.14 94 A 1 ATOM 764 C CD . GLU A 1 94 ? -3.298 5.827 6.849 1.00 90.62 94 A 1 ATOM 765 O OE1 . GLU A 1 94 ? -3.793 4.992 6.059 1.00 85.03 94 A 1 ATOM 766 O OE2 . GLU A 1 94 ? -2.160 6.311 6.688 1.00 86.94 94 A 1 ATOM 767 N N . THR A 1 95 ? -2.230 4.814 10.753 1.00 96.38 95 A 1 ATOM 768 C CA . THR A 1 95 ? -2.479 3.658 11.632 1.00 96.46 95 A 1 ATOM 769 C C . THR A 1 95 ? -1.587 3.642 12.873 1.00 96.37 95 A 1 ATOM 770 O O . THR A 1 95 ? -1.761 2.776 13.729 1.00 95.35 95 A 1 ATOM 771 C CB . THR A 1 95 ? -2.351 2.320 10.887 1.00 96.64 95 A 1 ATOM 772 O OG1 . THR A 1 95 ? -1.005 2.006 10.590 1.00 95.37 95 A 1 ATOM 773 C CG2 . THR A 1 95 ? -3.128 2.292 9.571 1.00 94.51 95 A 1 ATOM 774 N N . LEU A 1 96 ? -0.614 4.550 12.966 1.00 96.32 96 A 1 ATOM 775 C CA . LEU A 1 96 ? 0.318 4.627 14.088 1.00 95.91 96 A 1 ATOM 776 C C . LEU A 1 96 ? -0.271 5.488 15.213 1.00 95.27 96 A 1 ATOM 777 O O . LEU A 1 96 ? -0.841 6.548 14.962 1.00 93.96 96 A 1 ATOM 778 C CB . LEU A 1 96 ? 1.675 5.168 13.617 1.00 96.17 96 A 1 ATOM 779 C CG . LEU A 1 96 ? 2.354 4.369 12.491 1.00 96.07 96 A 1 ATOM 780 C CD1 . LEU A 1 96 ? 3.703 5.013 12.155 1.00 95.10 96 A 1 ATOM 781 C CD2 . LEU A 1 96 ? 2.610 2.906 12.860 1.00 95.13 96 A 1 ATOM 782 N N . ASN A 1 97 ? -0.078 5.057 16.465 1.00 95.92 97 A 1 ATOM 783 C CA . ASN A 1 97 ? -0.545 5.765 17.664 1.00 95.06 97 A 1 ATOM 784 C C . ASN A 1 97 ? 0.475 6.793 18.183 1.00 94.91 97 A 1 ATOM 785 O O . ASN A 1 97 ? 0.130 7.664 18.978 1.00 90.63 97 A 1 ATOM 786 C CB . ASN A 1 97 ? -0.897 4.733 18.743 1.00 93.22 97 A 1 ATOM 787 C CG . ASN A 1 97 ? -2.000 3.780 18.316 1.00 88.94 97 A 1 ATOM 788 O OD1 . ASN A 1 97 ? -3.049 4.161 17.829 1.00 79.09 97 A 1 ATOM 789 N ND2 . ASN A 1 97 ? -1.803 2.500 18.507 1.00 80.97 97 A 1 ATOM 790 N N . GLY A 1 98 ? 1.731 6.717 17.730 1.00 93.40 98 A 1 ATOM 791 C CA . GLY A 1 98 ? 2.823 7.633 18.081 1.00 92.56 98 A 1 ATOM 792 C C . GLY A 1 98 ? 3.684 7.202 19.272 1.00 93.47 98 A 1 ATOM 793 O O . GLY A 1 98 ? 4.629 7.913 19.613 1.00 90.72 98 A 1 ATOM 794 N N . ASP A 1 99 ? 3.400 6.054 19.889 1.00 94.35 99 A 1 ATOM 795 C CA . ASP A 1 99 ? 4.170 5.467 20.995 1.00 94.58 99 A 1 ATOM 796 C C . ASP A 1 99 ? 4.977 4.220 20.589 1.00 95.38 99 A 1 ATOM 797 O O . ASP A 1 99 ? 5.666 3.606 21.414 1.00 93.25 99 A 1 ATOM 798 C CB . ASP A 1 99 ? 3.239 5.214 22.195 1.00 92.26 99 A 1 ATOM 799 C CG . ASP A 1 99 ? 2.198 4.105 21.975 1.00 85.35 99 A 1 ATOM 800 O OD1 . ASP A 1 99 ? 1.866 3.816 20.809 1.00 78.25 99 A 1 ATOM 801 O OD2 . ASP A 1 99 ? 1.729 3.572 23.009 1.00 80.59 99 A 1 ATOM 802 N N . GLU A 1 100 ? 4.964 3.877 19.307 1.00 95.46 100 A 1 ATOM 803 C CA . GLU A 1 100 ? 5.689 2.736 18.769 1.00 95.70 100 A 1 ATOM 804 C C . GLU A 1 100 ? 7.208 2.915 18.907 1.00 95.81 100 A 1 ATOM 805 O O . GLU A 1 100 ? 7.797 3.918 18.506 1.00 94.30 100 A 1 ATOM 806 C CB . GLU A 1 100 ? 5.335 2.464 17.296 1.00 95.15 100 A 1 ATOM 807 C CG . GLU A 1 100 ? 3.848 2.152 17.058 1.00 93.62 100 A 1 ATOM 808 C CD . GLU A 1 100 ? 2.966 3.393 16.866 1.00 94.99 100 A 1 ATOM 809 O OE1 . GLU A 1 100 ? 1.768 3.199 16.578 1.00 89.77 100 A 1 ATOM 810 O OE2 . GLU A 1 100 ? 3.491 4.529 16.944 1.00 91.38 100 A 1 ATOM 811 N N . LYS A 1 101 ? 7.873 1.876 19.416 1.00 95.82 101 A 1 ATOM 812 C CA . LYS A 1 101 ? 9.347 1.826 19.462 1.00 95.24 101 A 1 ATOM 813 C C . LYS A 1 101 ? 9.948 1.248 18.185 1.00 95.63 101 A 1 ATOM 814 O O . LYS A 1 101 ? 11.059 1.609 17.795 1.00 94.32 101 A 1 ATOM 815 C CB . LYS A 1 101 ? 9.801 1.010 20.675 1.00 94.12 101 A 1 ATOM 816 C CG . LYS A 1 101 ? 9.403 1.689 21.991 1.00 89.83 101 A 1 ATOM 817 C CD . LYS A 1 101 ? 9.895 0.877 23.188 1.00 81.03 101 A 1 ATOM 818 C CE . LYS A 1 101 ? 9.428 1.570 24.468 1.00 75.61 101 A 1 ATOM 819 N NZ . LYS A 1 101 ? 9.772 0.783 25.678 1.00 63.93 101 A 1 ATOM 820 N N . VAL A 1 102 ? 9.236 0.315 17.574 1.00 96.39 102 A 1 ATOM 821 C CA . VAL A 1 102 ? 9.624 -0.387 16.348 1.00 96.80 102 A 1 ATOM 822 C C . VAL A 1 102 ? 8.410 -0.456 15.433 1.00 97.39 102 A 1 ATOM 823 O O . VAL A 1 102 ? 7.345 -0.886 15.859 1.00 97.10 102 A 1 ATOM 824 C CB . VAL A 1 102 ? 10.160 -1.808 16.635 1.00 95.98 102 A 1 ATOM 825 C CG1 . VAL A 1 102 ? 10.572 -2.529 15.342 1.00 94.00 102 A 1 ATOM 826 C CG2 . VAL A 1 102 ? 11.389 -1.785 17.557 1.00 94.31 102 A 1 ATOM 827 N N . VAL A 1 103 ? 8.599 -0.075 14.182 1.00 97.47 103 A 1 ATOM 828 C CA . VAL A 1 103 ? 7.590 -0.178 13.126 1.00 97.82 103 A 1 ATOM 829 C C . VAL A 1 103 ? 8.174 -0.998 11.983 1.00 97.90 103 A 1 ATOM 830 O O . VAL A 1 103 ? 9.299 -0.757 11.533 1.00 97.60 103 A 1 ATOM 831 C CB . VAL A 1 103 ? 7.124 1.218 12.671 1.00 97.79 103 A 1 ATOM 832 C CG1 . VAL A 1 103 ? 6.098 1.151 11.536 1.00 97.23 103 A 1 ATOM 833 C CG2 . VAL A 1 103 ? 6.483 1.990 13.833 1.00 97.19 103 A 1 ATOM 834 N N . LEU A 1 104 ? 7.426 -1.991 11.531 1.00 98.30 104 A 1 ATOM 835 C CA . LEU A 1 104 ? 7.817 -2.784 10.371 1.00 98.38 104 A 1 ATOM 836 C C . LEU A 1 104 ? 7.508 -2.021 9.081 1.00 98.33 104 A 1 ATOM 837 O O . LEU A 1 104 ? 6.607 -1.197 9.030 1.00 98.03 104 A 1 ATOM 838 C CB . LEU A 1 104 ? 7.149 -4.167 10.421 1.00 98.36 104 A 1 ATOM 839 C CG . LEU A 1 104 ? 7.473 -4.985 11.690 1.00 97.87 104 A 1 ATOM 840 C CD1 . LEU A 1 104 ? 6.859 -6.375 11.576 1.00 97.00 104 A 1 ATOM 841 C CD2 . LEU A 1 104 ? 8.982 -5.156 11.904 1.00 96.81 104 A 1 ATOM 842 N N . ILE A 1 105 ? 8.257 -2.284 8.019 1.00 97.89 105 A 1 ATOM 843 C CA . ILE A 1 105 ? 7.950 -1.713 6.707 1.00 97.80 105 A 1 ATOM 844 C C . ILE A 1 105 ? 8.099 -2.772 5.620 1.00 97.94 105 A 1 ATOM 845 O O . ILE A 1 105 ? 9.139 -3.409 5.498 1.00 97.55 105 A 1 ATOM 846 C CB . ILE A 1 105 ? 8.727 -0.399 6.469 1.00 96.92 105 A 1 ATOM 847 C CG1 . ILE A 1 105 ? 8.231 0.291 5.179 1.00 92.40 105 A 1 ATOM 848 C CG2 . ILE A 1 105 ? 10.250 -0.595 6.473 1.00 92.34 105 A 1 ATOM 849 C CD1 . ILE A 1 105 ? 8.653 1.762 5.095 1.00 91.03 105 A 1 ATOM 850 N N . ALA A 1 106 ? 7.042 -2.968 4.844 1.00 97.46 106 A 1 ATOM 851 C CA . ALA A 1 106 ? 6.979 -3.930 3.749 1.00 97.12 106 A 1 ATOM 852 C C . ALA A 1 106 ? 6.812 -3.219 2.396 1.00 96.78 106 A 1 ATOM 853 O O . ALA A 1 106 ? 6.619 -2.009 2.328 1.00 95.78 106 A 1 ATOM 854 C CB . ALA A 1 106 ? 5.845 -4.919 4.035 1.00 96.54 106 A 1 ATOM 855 N N . GLU A 1 107 ? 6.885 -3.969 1.296 1.00 95.72 107 A 1 ATOM 856 C CA . GLU A 1 107 ? 6.860 -3.379 -0.049 1.00 95.18 107 A 1 ATOM 857 C C . GLU A 1 107 ? 5.465 -2.914 -0.489 1.00 94.94 107 A 1 ATOM 858 O O . GLU A 1 107 ? 5.351 -1.934 -1.227 1.00 93.61 107 A 1 ATOM 859 C CB . GLU A 1 107 ? 7.443 -4.370 -1.058 1.00 93.96 107 A 1 ATOM 860 C CG . GLU A 1 107 ? 8.898 -4.714 -0.719 1.00 87.39 107 A 1 ATOM 861 C CD . GLU A 1 107 ? 9.628 -5.470 -1.828 1.00 86.32 107 A 1 ATOM 862 O OE1 . GLU A 1 107 ? 10.703 -6.022 -1.498 1.00 77.07 107 A 1 ATOM 863 O OE2 . GLU A 1 107 ? 9.227 -5.332 -3.006 1.00 79.48 107 A 1 ATOM 864 N N . SER A 1 108 ? 4.398 -3.588 -0.039 1.00 95.97 108 A 1 ATOM 865 C CA . SER A 1 108 ? 3.023 -3.343 -0.492 1.00 96.07 108 A 1 ATOM 866 C C . SER A 1 108 ? 2.032 -3.161 0.661 1.00 97.09 108 A 1 ATOM 867 O O . SER A 1 108 ? 2.283 -3.580 1.794 1.00 97.07 108 A 1 ATOM 868 C CB . SER A 1 108 ? 2.567 -4.474 -1.425 1.00 94.63 108 A 1 ATOM 869 O OG . SER A 1 108 ? 2.245 -5.646 -0.708 1.00 90.51 108 A 1 ATOM 870 N N . VAL A 1 109 ? 0.859 -2.574 0.345 1.00 97.43 109 A 1 ATOM 871 C CA . VAL A 1 109 ? -0.251 -2.387 1.295 1.00 98.00 109 A 1 ATOM 872 C C . VAL A 1 109 ? -0.698 -3.720 1.896 1.00 98.23 109 A 1 ATOM 873 O O . VAL A 1 109 ? -0.788 -3.826 3.112 1.00 98.09 109 A 1 ATOM 874 C CB . VAL A 1 109 ? -1.436 -1.666 0.619 1.00 97.87 109 A 1 ATOM 875 C CG1 . VAL A 1 109 ? -2.668 -1.575 1.527 1.00 97.21 109 A 1 ATOM 876 C CG2 . VAL A 1 109 ? -1.042 -0.237 0.214 1.00 97.10 109 A 1 ATOM 877 N N . PHE A 1 110 ? -0.903 -4.760 1.092 1.00 97.79 110 A 1 ATOM 878 C CA . PHE A 1 110 ? -1.366 -6.056 1.606 1.00 97.73 110 A 1 ATOM 879 C C . PHE A 1 110 ? -0.334 -6.741 2.512 1.00 97.92 110 A 1 ATOM 880 O O . PHE A 1 110 ? -0.714 -7.366 3.500 1.00 97.58 110 A 1 ATOM 881 C CB . PHE A 1 110 ? -1.766 -6.970 0.444 1.00 97.33 110 A 1 ATOM 882 C CG . PHE A 1 110 ? -3.028 -6.517 -0.263 1.00 97.29 110 A 1 ATOM 883 C CD1 . PHE A 1 110 ? -4.282 -6.725 0.347 1.00 96.16 110 A 1 ATOM 884 C CD2 . PHE A 1 110 ? -2.958 -5.873 -1.511 1.00 96.33 110 A 1 ATOM 885 C CE1 . PHE A 1 110 ? -5.459 -6.290 -0.291 1.00 95.65 110 A 1 ATOM 886 C CE2 . PHE A 1 110 ? -4.139 -5.438 -2.147 1.00 95.57 110 A 1 ATOM 887 C CZ . PHE A 1 110 ? -5.390 -5.646 -1.539 1.00 96.09 110 A 1 ATOM 888 N N . LYS A 1 111 ? 0.965 -6.555 2.253 1.00 97.82 111 A 1 ATOM 889 C CA . LYS A 1 111 ? 2.029 -7.030 3.148 1.00 97.86 111 A 1 ATOM 890 C C . LYS A 1 111 ? 2.030 -6.274 4.477 1.00 98.24 111 A 1 ATOM 891 O O . LYS A 1 111 ? 2.124 -6.892 5.534 1.00 98.20 111 A 1 ATOM 892 C CB . LYS A 1 111 ? 3.395 -6.941 2.445 1.00 97.26 111 A 1 ATOM 893 C CG . LYS A 1 111 ? 3.499 -7.998 1.335 1.00 95.40 111 A 1 ATOM 894 C CD . LYS A 1 111 ? 4.816 -7.931 0.550 1.00 92.16 111 A 1 ATOM 895 C CE . LYS A 1 111 ? 4.770 -9.062 -0.483 1.00 86.87 111 A 1 ATOM 896 N NZ . LYS A 1 111 ? 5.902 -9.069 -1.418 1.00 79.59 111 A 1 ATOM 897 N N . ALA A 1 112 ? 1.845 -4.950 4.455 1.00 98.29 112 A 1 ATOM 898 C CA . ALA A 1 112 ? 1.689 -4.175 5.686 1.00 98.51 112 A 1 ATOM 899 C C . ALA A 1 112 ? 0.431 -4.595 6.471 1.00 98.64 112 A 1 ATOM 900 O O . ALA A 1 112 ? 0.496 -4.760 7.686 1.00 98.58 112 A 1 ATOM 901 C CB . ALA A 1 112 ? 1.688 -2.682 5.345 1.00 98.42 112 A 1 ATOM 902 N N . VAL A 1 113 ? -0.681 -4.854 5.786 1.00 98.66 113 A 1 ATOM 903 C CA . VAL A 1 113 ? -1.914 -5.382 6.394 1.00 98.67 113 A 1 ATOM 904 C C . VAL A 1 113 ? -1.691 -6.759 7.030 1.00 98.69 113 A 1 ATOM 905 O O . VAL A 1 113 ? -2.149 -6.992 8.148 1.00 98.56 113 A 1 ATOM 906 C CB . VAL A 1 113 ? -3.041 -5.427 5.349 1.00 98.55 113 A 1 ATOM 907 C CG1 . VAL A 1 113 ? -4.260 -6.227 5.822 1.00 97.75 113 A 1 ATOM 908 C CG2 . VAL A 1 113 ? -3.514 -4.007 5.018 1.00 97.77 113 A 1 ATOM 909 N N . ALA A 1 114 ? -0.950 -7.657 6.383 1.00 98.35 114 A 1 ATOM 910 C CA . ALA A 1 114 ? -0.597 -8.945 6.984 1.00 98.29 114 A 1 ATOM 911 C C . ALA A 1 114 ? 0.202 -8.761 8.289 1.00 98.41 114 A 1 ATOM 912 O O . ALA A 1 114 ? -0.082 -9.423 9.290 1.00 98.24 114 A 1 ATOM 913 C CB . ALA A 1 114 ? 0.170 -9.780 5.953 1.00 98.05 114 A 1 ATOM 914 N N . LEU A 1 115 ? 1.135 -7.804 8.321 1.00 98.62 115 A 1 ATOM 915 C CA . LEU A 1 115 ? 1.886 -7.443 9.529 1.00 98.65 115 A 1 ATOM 916 C C . LEU A 1 115 ? 0.973 -6.859 10.624 1.00 98.60 115 A 1 ATOM 917 O O . LEU A 1 115 ? 1.101 -7.254 11.783 1.00 98.40 115 A 1 ATOM 918 C CB . LEU A 1 115 ? 3.021 -6.469 9.162 1.00 98.63 115 A 1 ATOM 919 C CG . LEU A 1 115 ? 4.096 -7.043 8.216 1.00 98.32 115 A 1 ATOM 920 C CD1 . LEU A 1 115 ? 5.015 -5.923 7.726 1.00 97.89 115 A 1 ATOM 921 C CD2 . LEU A 1 115 ? 4.958 -8.104 8.888 1.00 97.82 115 A 1 ATOM 922 N N . HIS A 1 116 ? 0.014 -5.999 10.271 1.00 98.68 116 A 1 ATOM 923 C CA . HIS A 1 116 ? -1.006 -5.503 11.213 1.00 98.64 116 A 1 ATOM 924 C C . HIS A 1 116 ? -1.838 -6.650 11.797 1.00 98.58 116 A 1 ATOM 925 O O . HIS A 1 116 ? -2.018 -6.732 13.013 1.00 98.24 116 A 1 ATOM 926 C CB . HIS A 1 116 ? -1.953 -4.505 10.515 1.00 98.54 116 A 1 ATOM 927 C CG . HIS A 1 116 ? -1.351 -3.203 10.068 1.00 98.38 116 A 1 ATOM 928 N ND1 . HIS A 1 116 ? -1.955 -2.304 9.193 1.00 93.15 116 A 1 ATOM 929 C CD2 . HIS A 1 116 ? -0.183 -2.643 10.490 1.00 93.68 116 A 1 ATOM 930 C CE1 . HIS A 1 116 ? -1.153 -1.236 9.104 1.00 95.02 116 A 1 ATOM 931 N NE2 . HIS A 1 116 ? -0.068 -1.400 9.872 1.00 95.81 116 A 1 ATOM 932 N N . ASN A 1 117 ? -2.292 -7.580 10.964 1.00 98.42 117 A 1 ATOM 933 C CA . ASN A 1 117 ? -3.067 -8.746 11.396 1.00 98.26 117 A 1 ATOM 934 C C . ASN A 1 117 ? -2.246 -9.697 12.286 1.00 98.17 117 A 1 ATOM 935 O O . ASN A 1 117 ? -2.800 -10.371 13.163 1.00 97.59 117 A 1 ATOM 936 C CB . ASN A 1 117 ? -3.628 -9.452 10.148 1.00 98.16 117 A 1 ATOM 937 C CG . ASN A 1 117 ? -4.727 -8.652 9.461 1.00 97.83 117 A 1 ATOM 938 O OD1 . ASN A 1 117 ? -5.398 -7.826 10.063 1.00 93.88 117 A 1 ATOM 939 N ND2 . ASN A 1 117 ? -4.976 -8.905 8.199 1.00 93.74 117 A 1 ATOM 940 N N . ALA A 1 118 ? -0.924 -9.701 12.133 1.00 98.18 118 A 1 ATOM 941 C CA . ALA A 1 118 ? -0.003 -10.376 13.046 1.00 98.03 118 A 1 ATOM 942 C C . ALA A 1 118 ? 0.230 -9.605 14.366 1.00 97.84 118 A 1 ATOM 943 O O . ALA A 1 118 ? 0.851 -10.147 15.279 1.00 97.11 118 A 1 ATOM 944 C CB . ALA A 1 118 ? 1.291 -10.688 12.294 1.00 98.01 118 A 1 ATOM 945 N N . GLY A 1 119 ? -0.301 -8.385 14.503 1.00 98.00 119 A 1 ATOM 946 C CA . GLY A 1 119 ? -0.221 -7.565 15.714 1.00 97.57 119 A 1 ATOM 947 C C . GLY A 1 119 ? 0.973 -6.612 15.763 1.00 97.58 119 A 1 ATOM 948 O O . GLY A 1 119 ? 1.323 -6.141 16.840 1.00 96.84 119 A 1 ATOM 949 N N . TYR A 1 120 ? 1.600 -6.325 14.630 1.00 98.16 120 A 1 ATOM 950 C CA . TYR A 1 120 ? 2.751 -5.427 14.557 1.00 98.09 120 A 1 ATOM 951 C C . TYR A 1 120 ? 2.391 -4.121 13.836 1.00 98.24 120 A 1 ATOM 952 O O . TYR A 1 120 ? 1.800 -4.172 12.755 1.00 98.02 120 A 1 ATOM 953 C CB . TYR A 1 120 ? 3.920 -6.127 13.862 1.00 97.76 120 A 1 ATOM 954 C CG . TYR A 1 120 ? 4.483 -7.295 14.649 1.00 97.32 120 A 1 ATOM 955 C CD1 . TYR A 1 120 ? 5.561 -7.099 15.534 1.00 95.95 120 A 1 ATOM 956 C CD2 . TYR A 1 120 ? 3.909 -8.574 14.516 1.00 96.19 120 A 1 ATOM 957 C CE1 . TYR A 1 120 ? 6.072 -8.179 16.279 1.00 94.84 120 A 1 ATOM 958 C CE2 . TYR A 1 120 ? 4.414 -9.656 15.264 1.00 94.96 120 A 1 ATOM 959 C CZ . TYR A 1 120 ? 5.496 -9.457 16.144 1.00 94.71 120 A 1 ATOM 960 O OH . TYR A 1 120 ? 5.984 -10.506 16.863 1.00 92.52 120 A 1 ATOM 961 N N . PRO A 1 121 ? 2.787 -2.948 14.365 1.00 98.43 121 A 1 ATOM 962 C CA . PRO A 1 121 ? 2.688 -1.692 13.634 1.00 98.40 121 A 1 ATOM 963 C C . PRO A 1 121 ? 3.508 -1.766 12.343 1.00 98.52 121 A 1 ATOM 964 O O . PRO A 1 121 ? 4.674 -2.182 12.362 1.00 98.25 121 A 1 ATOM 965 C CB . PRO A 1 121 ? 3.217 -0.606 14.574 1.00 97.89 121 A 1 ATOM 966 C CG . PRO A 1 121 ? 3.127 -1.243 15.959 1.00 96.00 121 A 1 ATOM 967 C CD . PRO A 1 121 ? 3.352 -2.724 15.676 1.00 97.86 121 A 1 ATOM 968 N N . ALA A 1 122 ? 2.916 -1.369 11.221 1.00 98.44 122 A 1 ATOM 969 C CA . ALA A 1 122 ? 3.568 -1.513 9.925 1.00 98.49 122 A 1 ATOM 970 C C . ALA A 1 122 ? 3.219 -0.405 8.928 1.00 98.42 122 A 1 ATOM 971 O O . ALA A 1 122 ? 2.140 0.172 8.952 1.00 98.04 122 A 1 ATOM 972 C CB . ALA A 1 122 ? 3.254 -2.903 9.354 1.00 98.33 122 A 1 ATOM 973 N N . LEU A 1 123 ? 4.143 -0.159 8.010 1.00 98.43 123 A 1 ATOM 974 C CA . LEU A 1 123 ? 3.989 0.741 6.871 1.00 98.34 123 A 1 ATOM 975 C C . LEU A 1 123 ? 4.228 -0.013 5.556 1.00 98.41 123 A 1 ATOM 976 O O . LEU A 1 123 ? 4.948 -1.012 5.511 1.00 98.11 123 A 1 ATOM 977 C CB . LEU A 1 123 ? 4.967 1.921 7.016 1.00 98.01 123 A 1 ATOM 978 C CG . LEU A 1 123 ? 4.780 2.784 8.276 1.00 97.49 123 A 1 ATOM 979 C CD1 . LEU A 1 123 ? 5.896 3.827 8.357 1.00 96.71 123 A 1 ATOM 980 C CD2 . LEU A 1 123 ? 3.443 3.514 8.276 1.00 96.57 123 A 1 ATOM 981 N N . ALA A 1 124 ? 3.682 0.508 4.463 1.00 97.97 124 A 1 ATOM 982 C CA . ALA A 1 124 ? 4.006 0.040 3.118 1.00 97.80 124 A 1 ATOM 983 C C . ALA A 1 124 ? 4.845 1.073 2.359 1.00 97.45 124 A 1 ATOM 984 O O . ALA A 1 124 ? 4.461 2.235 2.229 1.00 96.71 124 A 1 ATOM 985 C CB . ALA A 1 124 ? 2.726 -0.318 2.362 1.00 97.59 124 A 1 ATOM 986 N N . MET A 1 125 ? 5.967 0.635 1.807 1.00 96.65 125 A 1 ATOM 987 C CA . MET A 1 125 ? 6.866 1.468 0.994 1.00 95.61 125 A 1 ATOM 988 C C . MET A 1 125 ? 6.312 1.754 -0.409 1.00 94.83 125 A 1 ATOM 989 O O . MET A 1 125 ? 6.763 2.701 -1.053 1.00 92.26 125 A 1 ATOM 990 C CB . MET A 1 125 ? 8.231 0.768 0.916 1.00 93.76 125 A 1 ATOM 991 C CG . MET A 1 125 ? 9.309 1.582 0.186 1.00 87.79 125 A 1 ATOM 992 S SD . MET A 1 125 ? 9.746 3.184 0.934 1.00 85.92 125 A 1 ATOM 993 C CE . MET A 1 125 ? 10.596 2.595 2.411 1.00 76.71 125 A 1 ATOM 994 N N . LEU A 1 126 ? 5.354 0.962 -0.879 1.00 94.45 126 A 1 ATOM 995 C CA . LEU A 1 126 ? 4.797 1.018 -2.235 1.00 93.74 126 A 1 ATOM 996 C C . LEU A 1 126 ? 5.857 0.717 -3.314 1.00 92.18 126 A 1 ATOM 997 O O . LEU A 1 126 ? 5.945 1.386 -4.342 1.00 87.67 126 A 1 ATOM 998 C CB . LEU A 1 126 ? 4.019 2.333 -2.455 1.00 93.82 126 A 1 ATOM 999 C CG . LEU A 1 126 ? 3.079 2.742 -1.310 1.00 94.02 126 A 1 ATOM 1000 C CD1 . LEU A 1 126 ? 2.465 4.104 -1.623 1.00 92.43 126 A 1 ATOM 1001 C CD2 . LEU A 1 126 ? 1.957 1.736 -1.092 1.00 92.61 126 A 1 ATOM 1002 N N . GLY A 1 127 ? 6.696 -0.275 -3.030 1.00 90.43 127 A 1 ATOM 1003 C CA . GLY A 1 127 ? 7.820 -0.744 -3.837 1.00 88.87 127 A 1 ATOM 1004 C C . GLY A 1 127 ? 9.110 -0.907 -3.025 1.00 89.81 127 A 1 ATOM 1005 O O . GLY A 1 127 ? 9.216 -0.446 -1.894 1.00 87.25 127 A 1 ATOM 1006 N N . SER A 1 128 ? 10.135 -1.513 -3.611 1.00 88.23 128 A 1 ATOM 1007 C CA . SER A 1 128 ? 11.396 -1.858 -2.921 1.00 87.87 128 A 1 ATOM 1008 C C . SER A 1 128 ? 12.509 -0.801 -3.005 1.00 88.42 128 A 1 ATOM 1009 O O . SER A 1 128 ? 13.629 -0.992 -2.523 1.00 86.04 128 A 1 ATOM 1010 C CB . SER A 1 128 ? 11.885 -3.215 -3.437 1.00 86.16 128 A 1 ATOM 1011 O OG . SER A 1 128 ? 11.987 -3.204 -4.847 1.00 83.64 128 A 1 ATOM 1012 N N . SER A 1 129 ? 12.240 0.351 -3.642 1.00 88.89 129 A 1 ATOM 1013 C CA . SER A 1 129 ? 13.266 1.352 -3.954 1.00 88.86 129 A 1 ATOM 1014 C C . SER A 1 129 ? 12.970 2.755 -3.401 1.00 90.00 129 A 1 ATOM 1015 O O . SER A 1 129 ? 12.631 3.665 -4.160 1.00 88.04 129 A 1 ATOM 1016 C CB . SER A 1 129 ? 13.540 1.361 -5.467 1.00 86.35 129 A 1 ATOM 1017 O OG . SER A 1 129 ? 14.285 0.201 -5.792 1.00 77.24 129 A 1 ATOM 1018 N N . PRO A 1 130 ? 13.172 2.993 -2.084 1.00 91.76 130 A 1 ATOM 1019 C CA . PRO A 1 130 ? 13.016 4.323 -1.506 1.00 91.83 130 A 1 ATOM 1020 C C . PRO A 1 130 ? 14.048 5.309 -2.063 1.00 92.55 130 A 1 ATOM 1021 O O . PRO A 1 130 ? 15.265 5.047 -2.096 1.00 91.62 130 A 1 ATOM 1022 C CB . PRO A 1 130 ? 13.159 4.143 0.004 1.00 90.43 130 A 1 ATOM 1023 C CG . PRO A 1 130 ? 14.001 2.873 0.138 1.00 89.73 130 A 1 ATOM 1024 C CD . PRO A 1 130 ? 13.558 2.038 -1.060 1.00 91.59 130 A 1 ATOM 1025 N N . GLY A 1 131 ? 13.553 6.484 -2.455 1.00 92.03 131 A 1 ATOM 1026 C CA . GLY A 1 131 ? 14.361 7.623 -2.870 1.00 92.19 131 A 1 ATOM 1027 C C . GLY A 1 131 ? 15.135 8.259 -1.711 1.00 93.70 131 A 1 ATOM 1028 O O . GLY A 1 131 ? 14.810 8.091 -0.536 1.00 93.46 131 A 1 ATOM 1029 N N . LYS A 1 132 ? 16.168 9.047 -2.042 1.00 92.85 132 A 1 ATOM 1030 C CA . LYS A 1 132 ? 17.029 9.702 -1.036 1.00 93.34 132 A 1 ATOM 1031 C C . LYS A 1 132 ? 16.257 10.637 -0.096 1.00 94.05 132 A 1 ATOM 1032 O O . LYS A 1 132 ? 16.601 10.714 1.078 1.00 93.32 132 A 1 ATOM 1033 C CB . LYS A 1 132 ? 18.158 10.492 -1.720 1.00 92.61 132 A 1 ATOM 1034 C CG . LYS A 1 132 ? 19.198 9.614 -2.431 1.00 85.44 132 A 1 ATOM 1035 C CD . LYS A 1 132 ? 20.302 10.485 -3.059 1.00 81.60 132 A 1 ATOM 1036 C CE . LYS A 1 132 ? 21.340 9.632 -3.798 1.00 75.52 132 A 1 ATOM 1037 N NZ . LYS A 1 132 ? 22.379 10.463 -4.467 1.00 65.60 132 A 1 ATOM 1038 N N . ALA A 1 133 ? 15.259 11.358 -0.611 1.00 94.57 133 A 1 ATOM 1039 C CA . ALA A 1 133 ? 14.442 12.274 0.186 1.00 94.29 133 A 1 ATOM 1040 C C . ALA A 1 133 ? 13.600 11.508 1.216 1.00 94.60 133 A 1 ATOM 1041 O O . ALA A 1 133 ? 13.703 11.794 2.410 1.00 93.81 133 A 1 ATOM 1042 C CB . ALA A 1 133 ? 13.581 13.122 -0.754 1.00 93.64 133 A 1 ATOM 1043 N N . LEU A 1 134 ? 12.881 10.474 0.777 1.00 94.32 134 A 1 ATOM 1044 C CA . LEU A 1 134 ? 12.093 9.616 1.659 1.00 94.48 134 A 1 ATOM 1045 C C . LEU A 1 134 ? 12.976 8.944 2.717 1.00 94.74 134 A 1 ATOM 1046 O O . LEU A 1 134 ? 12.671 9.015 3.904 1.00 94.48 134 A 1 ATOM 1047 C CB . LEU A 1 134 ? 11.318 8.595 0.809 1.00 94.40 134 A 1 ATOM 1048 C CG . LEU A 1 134 ? 10.437 7.647 1.646 1.00 93.88 134 A 1 ATOM 1049 C CD1 . LEU A 1 134 ? 9.404 8.393 2.486 1.00 91.96 134 A 1 ATOM 1050 C CD2 . LEU A 1 134 ? 9.695 6.686 0.729 1.00 91.86 134 A 1 ATOM 1051 N N . LEU A 1 135 ? 14.126 8.392 2.337 1.00 94.30 135 A 1 ATOM 1052 C CA . LEU A 1 135 ? 15.065 7.791 3.297 1.00 93.83 135 A 1 ATOM 1053 C C . LEU A 1 135 ? 15.541 8.774 4.378 1.00 93.73 135 A 1 ATOM 1054 O O . LEU A 1 135 ? 15.794 8.358 5.503 1.00 93.26 135 A 1 ATOM 1055 C CB . LEU A 1 135 ? 16.292 7.237 2.556 1.00 93.13 135 A 1 ATOM 1056 C CG . LEU A 1 135 ? 16.042 5.929 1.792 1.00 89.48 135 A 1 ATOM 1057 C CD1 . LEU A 1 135 ? 17.285 5.600 0.963 1.00 87.80 135 A 1 ATOM 1058 C CD2 . LEU A 1 135 ? 15.776 4.755 2.735 1.00 88.32 135 A 1 ATOM 1059 N N . LYS A 1 136 ? 15.711 10.061 4.050 1.00 94.42 136 A 1 ATOM 1060 C CA . LYS A 1 136 ? 16.047 11.090 5.046 1.00 94.01 136 A 1 ATOM 1061 C C . LYS A 1 136 ? 14.893 11.312 6.016 1.00 94.04 136 A 1 ATOM 1062 O O . LYS A 1 136 ? 15.149 11.367 7.209 1.00 93.15 136 A 1 ATOM 1063 C CB . LYS A 1 136 ? 16.437 12.412 4.378 1.00 93.91 136 A 1 ATOM 1064 C CG . LYS A 1 136 ? 17.840 12.387 3.761 1.00 88.21 136 A 1 ATOM 1065 C CD . LYS A 1 136 ? 18.096 13.729 3.059 1.00 83.13 136 A 1 ATOM 1066 C CE . LYS A 1 136 ? 19.492 13.789 2.439 1.00 76.45 136 A 1 ATOM 1067 N NZ . LYS A 1 136 ? 19.782 15.149 1.912 1.00 67.25 136 A 1 ATOM 1068 N N . GLN A 1 137 ? 13.656 11.395 5.523 1.00 94.76 137 A 1 ATOM 1069 C CA . GLN A 1 137 ? 12.468 11.557 6.368 1.00 94.32 137 A 1 ATOM 1070 C C . GLN A 1 137 ? 12.268 10.352 7.295 1.00 94.40 137 A 1 ATOM 1071 O O . GLN A 1 137 ? 12.111 10.538 8.499 1.00 93.54 137 A 1 ATOM 1072 C CB . GLN A 1 137 ? 11.233 11.769 5.486 1.00 93.74 137 A 1 ATOM 1073 C CG . GLN A 1 137 ? 11.252 13.124 4.760 1.00 88.55 137 A 1 ATOM 1074 C CD . GLN A 1 137 ? 10.083 13.277 3.793 1.00 83.15 137 A 1 ATOM 1075 O OE1 . GLN A 1 137 ? 9.577 12.325 3.227 1.00 75.03 137 A 1 ATOM 1076 N NE2 . GLN A 1 137 ? 9.621 14.480 3.538 1.00 70.61 137 A 1 ATOM 1077 N N . LEU A 1 138 ? 12.395 9.136 6.771 1.00 93.98 138 A 1 ATOM 1078 C CA . LEU A 1 138 ? 12.274 7.903 7.558 1.00 93.47 138 A 1 ATOM 1079 C C . LEU A 1 138 ? 13.297 7.823 8.707 1.00 93.15 138 A 1 ATOM 1080 O O . LEU A 1 138 ? 12.994 7.285 9.764 1.00 92.25 138 A 1 ATOM 1081 C CB . LEU A 1 138 ? 12.432 6.691 6.624 1.00 93.79 138 A 1 ATOM 1082 C CG . LEU A 1 138 ? 11.305 6.486 5.591 1.00 93.26 138 A 1 ATOM 1083 C CD1 . LEU A 1 138 ? 11.669 5.308 4.685 1.00 91.95 138 A 1 ATOM 1084 C CD2 . LEU A 1 138 ? 9.951 6.204 6.224 1.00 92.29 138 A 1 ATOM 1085 N N . LYS A 1 139 ? 14.497 8.394 8.536 1.00 93.72 139 A 1 ATOM 1086 C CA . LYS A 1 139 ? 15.532 8.450 9.589 1.00 92.63 139 A 1 ATOM 1087 C C . LYS A 1 139 ? 15.245 9.459 10.704 1.00 92.98 139 A 1 ATOM 1088 O O . LYS A 1 139 ? 15.935 9.425 11.718 1.00 91.30 139 A 1 ATOM 1089 C CB . LYS A 1 139 ? 16.888 8.778 8.960 1.00 91.49 139 A 1 ATOM 1090 C CG . LYS A 1 139 ? 17.472 7.579 8.218 1.00 85.22 139 A 1 ATOM 1091 C CD . LYS A 1 139 ? 18.791 7.988 7.556 1.00 79.97 139 A 1 ATOM 1092 C CE . LYS A 1 139 ? 19.365 6.778 6.823 1.00 73.43 139 A 1 ATOM 1093 N NZ . LYS A 1 139 ? 20.758 7.031 6.375 1.00 65.00 139 A 1 ATOM 1094 N N . LEU A 1 140 ? 14.314 10.384 10.494 1.00 94.45 140 A 1 ATOM 1095 C CA . LEU A 1 140 ? 13.919 11.396 11.478 1.00 94.10 140 A 1 ATOM 1096 C C . LEU A 1 140 ? 12.724 10.951 12.331 1.00 93.94 140 A 1 ATOM 1097 O O . LEU A 1 140 ? 12.341 11.674 13.245 1.00 92.32 140 A 1 ATOM 1098 C CB . LEU A 1 140 ? 13.612 12.723 10.756 1.00 93.65 140 A 1 ATOM 1099 C CG . LEU A 1 140 ? 14.807 13.355 10.018 1.00 91.59 140 A 1 ATOM 1100 C CD1 . LEU A 1 140 ? 14.336 14.566 9.211 1.00 88.57 140 A 1 ATOM 1101 C CD2 . LEU A 1 140 ? 15.906 13.811 10.978 1.00 88.18 140 A 1 ATOM 1102 N N . LEU A 1 141 ? 12.138 9.797 12.033 1.00 93.79 141 A 1 ATOM 1103 C CA . LEU A 1 141 ? 11.000 9.273 12.787 1.00 93.42 141 A 1 ATOM 1104 C C . LEU A 1 141 ? 11.424 8.855 14.204 1.00 94.16 141 A 1 ATOM 1105 O O . LEU A 1 141 ? 12.551 8.395 14.399 1.00 93.46 141 A 1 ATOM 1106 C CB . LEU A 1 141 ? 10.357 8.115 12.004 1.00 92.79 141 A 1 ATOM 1107 C CG . LEU A 1 141 ? 9.741 8.563 10.666 1.00 91.29 141 A 1 ATOM 1108 C CD1 . LEU A 1 141 ? 9.282 7.348 9.868 1.00 88.58 141 A 1 ATOM 1109 C CD2 . LEU A 1 141 ? 8.546 9.503 10.851 1.00 88.39 141 A 1 ATOM 1110 N N . PRO A 1 142 ? 10.530 9.001 15.200 1.00 94.81 142 A 1 ATOM 1111 C CA . PRO A 1 142 ? 10.852 8.728 16.603 1.00 95.00 142 A 1 ATOM 1112 C C . PRO A 1 142 ? 10.977 7.231 16.932 1.00 95.48 142 A 1 ATOM 1113 O O . PRO A 1 142 ? 11.348 6.870 18.046 1.00 94.27 142 A 1 ATOM 1114 C CB . PRO A 1 142 ? 9.719 9.398 17.392 1.00 94.29 142 A 1 ATOM 1115 C CG . PRO A 1 142 ? 8.523 9.288 16.452 1.00 93.39 142 A 1 ATOM 1116 C CD . PRO A 1 142 ? 9.156 9.480 15.078 1.00 94.77 142 A 1 ATOM 1117 N N . PHE A 1 143 ? 10.682 6.356 15.986 1.00 95.71 143 A 1 ATOM 1118 C CA . PHE A 1 143 ? 10.733 4.904 16.106 1.00 95.59 143 A 1 ATOM 1119 C C . PHE A 1 143 ? 11.751 4.285 15.147 1.00 95.61 143 A 1 ATOM 1120 O O . PHE A 1 143 ? 12.125 4.857 14.121 1.00 94.63 143 A 1 ATOM 1121 C CB . PHE A 1 143 ? 9.328 4.331 15.898 1.00 95.19 143 A 1 ATOM 1122 C CG . PHE A 1 143 ? 8.619 4.816 14.647 1.00 95.43 143 A 1 ATOM 1123 C CD1 . PHE A 1 143 ? 7.609 5.792 14.756 1.00 94.04 143 A 1 ATOM 1124 C CD2 . PHE A 1 143 ? 8.944 4.290 13.387 1.00 94.39 143 A 1 ATOM 1125 C CE1 . PHE A 1 143 ? 6.916 6.220 13.611 1.00 93.23 143 A 1 ATOM 1126 C CE2 . PHE A 1 143 ? 8.255 4.725 12.240 1.00 93.31 143 A 1 ATOM 1127 C CZ . PHE A 1 143 ? 7.233 5.684 12.353 1.00 93.21 143 A 1 ATOM 1128 N N . LYS A 1 144 ? 12.196 3.076 15.466 1.00 95.47 144 A 1 ATOM 1129 C CA . LYS A 1 144 ? 13.067 2.292 14.589 1.00 95.44 144 A 1 ATOM 1130 C C . LYS A 1 144 ? 12.238 1.625 13.496 1.00 96.21 144 A 1 ATOM 1131 O O . LYS A 1 144 ? 11.333 0.855 13.791 1.00 95.78 144 A 1 ATOM 1132 C CB . LYS A 1 144 ? 13.844 1.277 15.431 1.00 94.25 144 A 1 ATOM 1133 C CG . LYS A 1 144 ? 14.829 0.456 14.588 1.00 87.93 144 A 1 ATOM 1134 C CD . LYS A 1 144 ? 15.536 -0.582 15.468 1.00 83.85 144 A 1 ATOM 1135 C CE . LYS A 1 144 ? 16.441 -1.467 14.608 1.00 74.90 144 A 1 ATOM 1136 N NZ . LYS A 1 144 ? 16.986 -2.601 15.395 1.00 67.08 144 A 1 ATOM 1137 N N . LEU A 1 145 ? 12.620 1.842 12.249 1.00 95.93 145 A 1 ATOM 1138 C CA . LEU A 1 145 ? 12.080 1.073 11.127 1.00 95.92 145 A 1 ATOM 1139 C C . LEU A 1 145 ? 12.865 -0.224 10.922 1.00 96.16 145 A 1 ATOM 1140 O O . LEU A 1 145 ? 14.098 -0.225 10.947 1.00 94.87 145 A 1 ATOM 1141 C CB . LEU A 1 145 ? 12.068 1.926 9.854 1.00 94.60 145 A 1 ATOM 1142 C CG . LEU A 1 145 ? 10.898 2.925 9.819 1.00 89.47 145 A 1 ATOM 1143 C CD1 . LEU A 1 145 ? 11.153 3.932 8.711 1.00 86.52 145 A 1 ATOM 1144 C CD2 . LEU A 1 145 ? 9.566 2.241 9.522 1.00 86.85 145 A 1 ATOM 1145 N N . VAL A 1 146 ? 12.136 -1.304 10.666 1.00 97.16 146 A 1 ATOM 1146 C CA . VAL A 1 146 ? 12.687 -2.615 10.307 1.00 97.52 146 A 1 ATOM 1147 C C . VAL A 1 146 ? 11.989 -3.106 9.041 1.00 97.86 146 A 1 ATOM 1148 O O . VAL A 1 146 ? 10.782 -3.334 9.039 1.00 97.67 146 A 1 ATOM 1149 C CB . VAL A 1 146 ? 12.532 -3.621 11.465 1.00 97.26 146 A 1 ATOM 1150 C CG1 . VAL A 1 146 ? 13.128 -4.983 11.100 1.00 96.49 146 A 1 ATOM 1151 C CG2 . VAL A 1 146 ? 13.243 -3.134 12.736 1.00 96.38 146 A 1 ATOM 1152 N N . ALA A 1 147 ? 12.740 -3.255 7.964 1.00 97.35 147 A 1 ATOM 1153 C CA . ALA A 1 147 ? 12.170 -3.736 6.713 1.00 97.39 147 A 1 ATOM 1154 C C . ALA A 1 147 ? 11.951 -5.252 6.732 1.00 97.62 147 A 1 ATOM 1155 O O . ALA A 1 147 ? 12.804 -6.005 7.208 1.00 97.35 147 A 1 ATOM 1156 C CB . ALA A 1 147 ? 13.040 -3.304 5.537 1.00 96.70 147 A 1 ATOM 1157 N N . VAL A 1 148 ? 10.837 -5.672 6.150 1.00 97.49 148 A 1 ATOM 1158 C CA . VAL A 1 148 ? 10.537 -7.070 5.834 1.00 97.67 148 A 1 ATOM 1159 C C . VAL A 1 148 ? 10.487 -7.175 4.312 1.00 97.27 148 A 1 ATOM 1160 O O . VAL A 1 148 ? 9.516 -6.751 3.690 1.00 96.15 148 A 1 ATOM 1161 C CB . VAL A 1 148 ? 9.227 -7.538 6.497 1.00 97.56 148 A 1 ATOM 1162 C CG1 . VAL A 1 148 ? 9.088 -9.056 6.354 1.00 96.33 148 A 1 ATOM 1163 C CG2 . VAL A 1 148 ? 9.187 -7.194 7.996 1.00 96.38 148 A 1 ATOM 1164 N N . GLY A 1 149 ? 11.594 -7.610 3.723 1.00 96.23 149 A 1 ATOM 1165 C CA . GLY A 1 149 ? 11.755 -7.715 2.275 1.00 95.75 149 A 1 ATOM 1166 C C . GLY A 1 149 ? 11.358 -9.087 1.743 1.00 95.65 149 A 1 ATOM 1167 O O . GLY A 1 149 ? 11.394 -10.079 2.474 1.00 94.66 149 A 1 ATOM 1168 N N . ASP A 1 150 ? 11.043 -9.131 0.458 1.00 95.64 150 A 1 ATOM 1169 C CA . ASP A 1 150 ? 10.750 -10.368 -0.266 1.00 94.86 150 A 1 ATOM 1170 C C . ASP A 1 150 ? 12.008 -11.217 -0.479 1.00 94.84 150 A 1 ATOM 1171 O O . ASP A 1 150 ? 13.138 -10.722 -0.386 1.00 93.72 150 A 1 ATOM 1172 C CB . ASP A 1 150 ? 10.081 -10.037 -1.609 1.00 93.32 150 A 1 ATOM 1173 C CG . ASP A 1 150 ? 8.731 -9.351 -1.433 1.00 90.92 150 A 1 ATOM 1174 O OD1 . ASP A 1 150 ? 8.176 -9.347 -0.306 1.00 88.19 150 A 1 ATOM 1175 O OD2 . ASP A 1 150 ? 8.189 -8.803 -2.412 1.00 87.94 150 A 1 ATOM 1176 N N . ASN A 1 151 ? 11.822 -12.499 -0.786 1.00 93.49 151 A 1 ATOM 1177 C CA . ASN A 1 151 ? 12.927 -13.425 -1.043 1.00 92.66 151 A 1 ATOM 1178 C C . ASN A 1 151 ? 13.494 -13.285 -2.469 1.00 93.09 151 A 1 ATOM 1179 O O . ASN A 1 151 ? 13.556 -14.248 -3.236 1.00 91.18 151 A 1 ATOM 1180 C CB . ASN A 1 151 ? 12.482 -14.853 -0.708 1.00 90.13 151 A 1 ATOM 1181 C CG . ASN A 1 151 ? 13.658 -15.813 -0.622 1.00 87.55 151 A 1 ATOM 1182 O OD1 . ASN A 1 151 ? 14.793 -15.450 -0.349 1.00 81.20 151 A 1 ATOM 1183 N ND2 . ASN A 1 151 ? 13.413 -17.090 -0.790 1.00 80.05 151 A 1 ATOM 1184 N N . ASP A 1 152 ? 13.873 -12.068 -2.825 1.00 95.07 152 A 1 ATOM 1185 C CA . ASP A 1 152 ? 14.488 -11.739 -4.105 1.00 95.02 152 A 1 ATOM 1186 C C . ASP A 1 152 ? 15.586 -10.660 -3.952 1.00 96.22 152 A 1 ATOM 1187 O O . ASP A 1 152 ? 15.720 -10.036 -2.887 1.00 96.09 152 A 1 ATOM 1188 C CB . ASP A 1 152 ? 13.387 -11.392 -5.130 1.00 93.80 152 A 1 ATOM 1189 C CG . ASP A 1 152 ? 12.749 -10.002 -5.011 1.00 93.15 152 A 1 ATOM 1190 O OD1 . ASP A 1 152 ? 13.408 -9.082 -4.481 1.00 90.58 152 A 1 ATOM 1191 O OD2 . ASP A 1 152 ? 11.687 -9.809 -5.634 1.00 89.51 152 A 1 ATOM 1192 N N . PRO A 1 153 ? 16.400 -10.399 -4.988 1.00 95.80 153 A 1 ATOM 1193 C CA . PRO A 1 153 ? 17.476 -9.406 -4.898 1.00 96.10 153 A 1 ATOM 1194 C C . PRO A 1 153 ? 17.011 -7.974 -4.571 1.00 96.14 153 A 1 ATOM 1195 O O . PRO A 1 153 ? 17.784 -7.170 -4.030 1.00 95.30 153 A 1 ATOM 1196 C CB . PRO A 1 153 ? 18.168 -9.454 -6.266 1.00 96.12 153 A 1 ATOM 1197 C CG . PRO A 1 153 ? 17.896 -10.875 -6.757 1.00 95.13 153 A 1 ATOM 1198 C CD . PRO A 1 153 ? 16.491 -11.143 -6.240 1.00 96.07 153 A 1 ATOM 1199 N N . ALA A 1 154 ? 15.768 -7.614 -4.926 1.00 95.42 154 A 1 ATOM 1200 C CA . ALA A 1 154 ? 15.210 -6.299 -4.633 1.00 94.57 154 A 1 ATOM 1201 C C . ALA A 1 154 ? 14.815 -6.195 -3.151 1.00 94.99 154 A 1 ATOM 1202 O O . ALA A 1 154 ? 15.207 -5.226 -2.485 1.00 94.30 154 A 1 ATOM 1203 C CB . ALA A 1 154 ? 14.040 -6.020 -5.585 1.00 93.19 154 A 1 ATOM 1204 N N . GLY A 1 155 ? 14.152 -7.224 -2.620 1.00 94.51 155 A 1 ATOM 1205 C CA . GLY A 1 155 ? 13.798 -7.353 -1.212 1.00 94.39 155 A 1 ATOM 1206 C C . GLY A 1 155 ? 15.020 -7.450 -0.299 1.00 95.10 155 A 1 ATOM 1207 O O . GLY A 1 155 ? 15.086 -6.760 0.721 1.00 95.02 155 A 1 ATOM 1208 N N . GLU A 1 156 ? 16.076 -8.172 -0.684 1.00 95.50 156 A 1 ATOM 1209 C CA . GLU A 1 156 ? 17.356 -8.177 0.047 1.00 95.45 156 A 1 ATOM 1210 C C . GLU A 1 156 ? 17.971 -6.772 0.153 1.00 95.15 156 A 1 ATOM 1211 O O . GLU A 1 156 ? 18.435 -6.331 1.211 1.00 94.58 156 A 1 ATOM 1212 C CB . GLU A 1 156 ? 18.384 -9.057 -0.674 1.00 95.36 156 A 1 ATOM 1213 C CG . GLU A 1 156 ? 18.156 -10.564 -0.523 1.00 86.69 156 A 1 ATOM 1214 C CD . GLU A 1 156 ? 19.286 -11.379 -1.171 1.00 81.65 156 A 1 ATOM 1215 O OE1 . GLU A 1 156 ? 19.231 -12.619 -1.080 1.00 72.19 156 A 1 ATOM 1216 O OE2 . GLU A 1 156 ? 20.244 -10.753 -1.704 1.00 72.30 156 A 1 ATOM 1217 N N . LYS A 1 157 ? 17.980 -6.043 -0.960 1.00 95.36 157 A 1 ATOM 1218 C CA . LYS A 1 157 ? 18.483 -4.665 -1.000 1.00 94.24 157 A 1 ATOM 1219 C C . LYS A 1 157 ? 17.617 -3.725 -0.168 1.00 94.21 157 A 1 ATOM 1220 O O . LYS A 1 157 ? 18.162 -2.815 0.466 1.00 93.17 157 A 1 ATOM 1221 C CB . LYS A 1 157 ? 18.573 -4.227 -2.464 1.00 93.37 157 A 1 ATOM 1222 C CG . LYS A 1 157 ? 19.212 -2.844 -2.650 1.00 84.81 157 A 1 ATOM 1223 C CD . LYS A 1 157 ? 19.278 -2.544 -4.148 1.00 82.33 157 A 1 ATOM 1224 C CE . LYS A 1 157 ? 19.942 -1.203 -4.447 1.00 74.57 157 A 1 ATOM 1225 N NZ . LYS A 1 157 ? 20.015 -0.993 -5.914 1.00 66.30 157 A 1 ATOM 1226 N N . PHE A 1 158 ? 16.303 -3.913 -0.179 1.00 94.39 158 A 1 ATOM 1227 C CA . PHE A 1 158 ? 15.343 -3.171 0.629 1.00 94.42 158 A 1 ATOM 1228 C C . PHE A 1 158 ? 15.563 -3.419 2.127 1.00 94.80 158 A 1 ATOM 1229 O O . PHE A 1 158 ? 15.803 -2.461 2.872 1.00 94.46 158 A 1 ATOM 1230 C CB . PHE A 1 158 ? 13.929 -3.555 0.176 1.00 94.08 158 A 1 ATOM 1231 C CG . PHE A 1 158 ? 12.830 -2.954 1.021 1.00 94.62 158 A 1 ATOM 1232 C CD1 . PHE A 1 158 ? 11.972 -3.788 1.763 1.00 92.75 158 A 1 ATOM 1233 C CD2 . PHE A 1 158 ? 12.656 -1.561 1.057 1.00 93.14 158 A 1 ATOM 1234 C CE1 . PHE A 1 158 ? 10.933 -3.232 2.520 1.00 92.11 158 A 1 ATOM 1235 C CE2 . PHE A 1 158 ? 11.620 -1.007 1.823 1.00 92.10 158 A 1 ATOM 1236 C CZ . PHE A 1 158 ? 10.754 -1.841 2.551 1.00 93.36 158 A 1 ATOM 1237 N N . ALA A 1 159 ? 15.631 -4.680 2.543 1.00 95.56 159 A 1 ATOM 1238 C CA . ALA A 1 159 ? 15.896 -5.090 3.918 1.00 95.37 159 A 1 ATOM 1239 C C . ALA A 1 159 ? 17.213 -4.495 4.442 1.00 94.85 159 A 1 ATOM 1240 O O . ALA A 1 159 ? 17.239 -3.829 5.478 1.00 94.06 159 A 1 ATOM 1241 C CB . ALA A 1 159 ? 15.902 -6.623 3.961 1.00 95.33 159 A 1 ATOM 1242 N N . ARG A 1 160 ? 18.293 -4.610 3.676 1.00 95.04 160 A 1 ATOM 1243 C CA . ARG A 1 160 ? 19.604 -4.059 4.053 1.00 94.08 160 A 1 ATOM 1244 C C . ARG A 1 160 ? 19.603 -2.536 4.237 1.00 93.36 160 A 1 ATOM 1245 O O . ARG A 1 160 ? 20.327 -2.025 5.085 1.00 91.74 160 A 1 ATOM 1246 C CB . ARG A 1 160 ? 20.633 -4.506 3.008 1.00 93.54 160 A 1 ATOM 1247 C CG . ARG A 1 160 ? 22.061 -4.096 3.385 1.00 83.75 160 A 1 ATOM 1248 C CD . ARG A 1 160 ? 23.087 -4.678 2.410 1.00 82.17 160 A 1 ATOM 1249 N NE . ARG A 1 160 ? 22.876 -4.173 1.028 1.00 72.67 160 A 1 ATOM 1250 C CZ . ARG A 1 160 ? 23.036 -4.851 -0.094 1.00 65.28 160 A 1 ATOM 1251 N NH1 . ARG A 1 160 ? 23.436 -6.085 -0.109 1.00 58.12 160 A 1 ATOM 1252 N NH2 . ARG A 1 160 ? 22.787 -4.294 -1.238 1.00 55.68 160 A 1 ATOM 1253 N N . LYS A 1 161 ? 18.819 -1.790 3.455 1.00 93.79 161 A 1 ATOM 1254 C CA . LYS A 1 161 ? 18.754 -0.316 3.560 1.00 92.42 161 A 1 ATOM 1255 C C . LYS A 1 161 ? 18.099 0.179 4.854 1.00 92.36 161 A 1 ATOM 1256 O O . LYS A 1 161 ? 18.397 1.294 5.274 1.00 89.76 161 A 1 ATOM 1257 C CB . LYS A 1 161 ? 17.978 0.260 2.371 1.00 90.82 161 A 1 ATOM 1258 C CG . LYS A 1 161 ? 18.807 0.386 1.087 1.00 83.38 161 A 1 ATOM 1259 C CD . LYS A 1 161 ? 17.861 0.874 -0.015 1.00 80.71 161 A 1 ATOM 1260 C CE . LYS A 1 161 ? 18.548 1.080 -1.358 1.00 75.47 161 A 1 ATOM 1261 N NZ . LYS A 1 161 ? 17.547 1.556 -2.351 1.00 67.83 161 A 1 ATOM 1262 N N . LEU A 1 162 ? 17.219 -0.612 5.446 1.00 92.58 162 A 1 ATOM 1263 C CA . LEU A 1 162 ? 16.394 -0.238 6.598 1.00 91.89 162 A 1 ATOM 1264 C C . LEU A 1 162 ? 16.593 -1.188 7.793 1.00 91.46 162 A 1 ATOM 1265 O O . LEU A 1 162 ? 15.696 -1.351 8.602 1.00 88.83 162 A 1 ATOM 1266 C CB . LEU A 1 162 ? 14.927 -0.115 6.139 1.00 91.37 162 A 1 ATOM 1267 C CG . LEU A 1 162 ? 14.655 1.044 5.158 1.00 90.42 162 A 1 ATOM 1268 C CD1 . LEU A 1 162 ? 13.223 0.952 4.642 1.00 87.32 162 A 1 ATOM 1269 C CD2 . LEU A 1 162 ? 14.825 2.417 5.818 1.00 87.61 162 A 1 ATOM 1270 N N . ASN A 1 163 ? 17.790 -1.795 7.918 1.00 92.15 163 A 1 ATOM 1271 C CA . ASN A 1 163 ? 18.162 -2.701 9.016 1.00 91.61 163 A 1 ATOM 1272 C C . ASN A 1 163 ? 17.131 -3.821 9.251 1.00 93.06 163 A 1 ATOM 1273 O O . ASN A 1 163 ? 16.776 -4.113 10.391 1.00 90.10 163 A 1 ATOM 1274 C CB . ASN A 1 163 ? 18.452 -1.880 10.287 1.00 87.85 163 A 1 ATOM 1275 C CG . ASN A 1 163 ? 19.561 -0.871 10.100 1.00 79.82 163 A 1 ATOM 1276 O OD1 . ASN A 1 163 ? 20.613 -1.146 9.549 1.00 72.56 163 A 1 ATOM 1277 N ND2 . ASN A 1 163 ? 19.378 0.346 10.555 1.00 70.88 163 A 1 ATOM 1278 N N . GLY A 1 164 ? 16.621 -4.380 8.169 1.00 95.35 164 A 1 ATOM 1279 C CA . GLY A 1 164 ? 15.594 -5.410 8.188 1.00 96.01 164 A 1 ATOM 1280 C C . GLY A 1 164 ? 16.111 -6.805 7.854 1.00 96.72 164 A 1 ATOM 1281 O O . GLY A 1 164 ? 17.310 -7.088 7.914 1.00 95.94 164 A 1 ATOM 1282 N N . PHE A 1 165 ? 15.177 -7.664 7.490 1.00 97.14 165 A 1 ATOM 1283 C CA . PHE A 1 165 ? 15.418 -9.052 7.113 1.00 97.31 165 A 1 ATOM 1284 C C . PHE A 1 165 ? 14.532 -9.452 5.930 1.00 97.60 165 A 1 ATOM 1285 O O . PHE A 1 165 ? 13.571 -8.761 5.597 1.00 97.16 165 A 1 ATOM 1286 C CB . PHE A 1 165 ? 15.199 -9.960 8.333 1.00 97.17 165 A 1 ATOM 1287 C CG . PHE A 1 165 ? 13.859 -9.768 9.020 1.00 97.55 165 A 1 ATOM 1288 C CD1 . PHE A 1 165 ? 13.761 -8.905 10.131 1.00 96.65 165 A 1 ATOM 1289 C CD2 . PHE A 1 165 ? 12.711 -10.422 8.545 1.00 96.65 165 A 1 ATOM 1290 C CE1 . PHE A 1 165 ? 12.520 -8.695 10.753 1.00 96.02 165 A 1 ATOM 1291 C CE2 . PHE A 1 165 ? 11.469 -10.209 9.168 1.00 96.31 165 A 1 ATOM 1292 C CZ . PHE A 1 165 ? 11.373 -9.343 10.271 1.00 96.52 165 A 1 ATOM 1293 N N . VAL A 1 166 ? 14.877 -10.560 5.300 1.00 97.35 166 A 1 ATOM 1294 C CA . VAL A 1 166 ? 14.097 -11.141 4.203 1.00 97.31 166 A 1 ATOM 1295 C C . VAL A 1 166 ? 13.193 -12.239 4.752 1.00 97.36 166 A 1 ATOM 1296 O O . VAL A 1 166 ? 13.613 -13.038 5.597 1.00 96.40 166 A 1 ATOM 1297 C CB . VAL A 1 166 ? 15.027 -11.642 3.088 1.00 96.18 166 A 1 ATOM 1298 C CG1 . VAL A 1 166 ? 14.277 -12.369 1.977 1.00 91.41 166 A 1 ATOM 1299 C CG2 . VAL A 1 166 ? 15.778 -10.463 2.454 1.00 91.31 166 A 1 ATOM 1300 N N . SER A 1 167 ? 11.960 -12.251 4.290 1.00 96.87 167 A 1 ATOM 1301 C CA . SER A 1 167 ? 10.999 -13.318 4.547 1.00 96.46 167 A 1 ATOM 1302 C C . SER A 1 167 ? 11.174 -14.444 3.519 1.00 96.29 167 A 1 ATOM 1303 O O . SER A 1 167 ? 11.342 -14.149 2.341 1.00 95.33 167 A 1 ATOM 1304 C CB . SER A 1 167 ? 9.583 -12.752 4.480 1.00 95.42 167 A 1 ATOM 1305 O OG . SER A 1 167 ? 8.686 -13.749 4.896 1.00 89.74 167 A 1 ATOM 1306 N N . PRO A 1 168 ? 11.141 -15.727 3.918 1.00 96.16 168 A 1 ATOM 1307 C CA . PRO A 1 168 ? 11.315 -16.841 2.980 1.00 95.33 168 A 1 ATOM 1308 C C . PRO A 1 168 ? 10.153 -16.999 1.988 1.00 95.21 168 A 1 ATOM 1309 O O . PRO A 1 168 ? 10.332 -17.612 0.940 1.00 93.18 168 A 1 ATOM 1310 C CB . PRO A 1 168 ? 11.462 -18.077 3.871 1.00 94.54 168 A 1 ATOM 1311 C CG . PRO A 1 168 ? 10.674 -17.711 5.125 1.00 93.92 168 A 1 ATOM 1312 C CD . PRO A 1 168 ? 10.943 -16.219 5.271 1.00 95.81 168 A 1 ATOM 1313 N N . VAL A 1 169 ? 8.978 -16.474 2.339 1.00 95.51 169 A 1 ATOM 1314 C CA . VAL A 1 169 ? 7.732 -16.464 1.556 1.00 95.22 169 A 1 ATOM 1315 C C . VAL A 1 169 ? 7.120 -15.076 1.719 1.00 95.68 169 A 1 ATOM 1316 O O . VAL A 1 169 ? 7.337 -14.439 2.749 1.00 93.54 169 A 1 ATOM 1317 C CB . VAL A 1 169 ? 6.761 -17.550 2.063 1.00 93.16 169 A 1 ATOM 1318 C CG1 . VAL A 1 169 ? 5.442 -17.590 1.284 1.00 87.26 169 A 1 ATOM 1319 C CG2 . VAL A 1 169 ? 7.375 -18.955 1.978 1.00 88.53 169 A 1 ATOM 1320 N N . ASP A 1 170 ? 6.349 -14.606 0.742 1.00 95.04 170 A 1 ATOM 1321 C CA . ASP A 1 170 ? 5.605 -13.352 0.862 1.00 94.58 170 A 1 ATOM 1322 C C . ASP A 1 170 ? 4.756 -13.340 2.143 1.00 95.15 170 A 1 ATOM 1323 O O . ASP A 1 170 ? 4.022 -14.281 2.446 1.00 93.67 170 A 1 ATOM 1324 C CB . ASP A 1 170 ? 4.744 -13.129 -0.393 1.00 92.28 170 A 1 ATOM 1325 C CG . ASP A 1 170 ? 5.469 -12.393 -1.527 1.00 86.79 170 A 1 ATOM 1326 O OD1 . ASP A 1 170 ? 6.605 -11.919 -1.298 1.00 83.14 170 A 1 ATOM 1327 O OD2 . ASP A 1 170 ? 4.824 -12.132 -2.563 1.00 82.03 170 A 1 ATOM 1328 N N . VAL A 1 171 ? 4.874 -12.273 2.941 1.00 94.86 171 A 1 ATOM 1329 C CA . VAL A 1 171 ? 4.228 -12.220 4.262 1.00 95.26 171 A 1 ATOM 1330 C C . VAL A 1 171 ? 2.701 -12.232 4.183 1.00 95.92 171 A 1 ATOM 1331 O O . VAL A 1 171 ? 2.055 -12.680 5.122 1.00 94.73 171 A 1 ATOM 1332 C CB . VAL A 1 171 ? 4.710 -11.024 5.108 1.00 93.78 171 A 1 ATOM 1333 C CG1 . VAL A 1 171 ? 6.194 -11.161 5.455 1.00 90.97 171 A 1 ATOM 1334 C CG2 . VAL A 1 171 ? 4.481 -9.667 4.438 1.00 91.03 171 A 1 ATOM 1335 N N . ASP A 1 172 ? 2.126 -11.779 3.075 1.00 95.68 172 A 1 ATOM 1336 C CA . ASP A 1 172 ? 0.688 -11.850 2.793 1.00 94.96 172 A 1 ATOM 1337 C C . ASP A 1 172 ? 0.215 -13.222 2.274 1.00 94.96 172 A 1 ATOM 1338 O O . ASP A 1 172 ? -0.987 -13.431 2.129 1.00 93.22 172 A 1 ATOM 1339 C CB . ASP A 1 172 ? 0.241 -10.683 1.886 1.00 93.72 172 A 1 ATOM 1340 C CG . ASP A 1 172 ? 0.878 -10.606 0.492 1.00 92.85 172 A 1 ATOM 1341 O OD1 . ASP A 1 172 ? 2.113 -10.766 0.413 1.00 89.86 172 A 1 ATOM 1342 O OD2 . ASP A 1 172 ? 0.159 -10.193 -0.460 1.00 89.41 172 A 1 ATOM 1343 N N . GLU A 1 173 ? 1.127 -14.166 2.059 1.00 95.73 173 A 1 ATOM 1344 C CA . GLU A 1 173 ? 0.823 -15.570 1.750 1.00 94.94 173 A 1 ATOM 1345 C C . GLU A 1 173 ? 0.960 -16.489 2.979 1.00 95.33 173 A 1 ATOM 1346 O O . GLU A 1 173 ? 0.532 -17.647 2.961 1.00 93.96 173 A 1 ATOM 1347 C CB . GLU A 1 173 ? 1.715 -16.063 0.601 1.00 93.93 173 A 1 ATOM 1348 C CG . GLU A 1 173 ? 1.516 -15.266 -0.703 1.00 91.05 173 A 1 ATOM 1349 C CD . GLU A 1 173 ? 2.296 -15.834 -1.902 1.00 86.80 173 A 1 ATOM 1350 O OE1 . GLU A 1 173 ? 1.997 -15.398 -3.038 1.00 79.60 173 A 1 ATOM 1351 O OE2 . GLU A 1 173 ? 3.149 -16.732 -1.708 1.00 79.46 173 A 1 ATOM 1352 N N . MET A 1 174 ? 1.539 -15.992 4.075 1.00 95.77 174 A 1 ATOM 1353 C CA . MET A 1 174 ? 1.640 -16.741 5.328 1.00 95.70 174 A 1 ATOM 1354 C C . MET A 1 174 ? 0.316 -16.733 6.098 1.00 95.90 174 A 1 ATOM 1355 O O . MET A 1 174 ? -0.402 -15.735 6.141 1.00 94.91 174 A 1 ATOM 1356 C CB . MET A 1 174 ? 2.755 -16.186 6.223 1.00 94.95 174 A 1 ATOM 1357 C CG . MET A 1 174 ? 4.145 -16.382 5.628 1.00 91.56 174 A 1 ATOM 1358 S SD . MET A 1 174 ? 5.469 -15.964 6.794 1.00 92.91 174 A 1 ATOM 1359 C CE . MET A 1 174 ? 6.883 -16.168 5.696 1.00 86.66 174 A 1 ATOM 1360 N N . SER A 1 175 ? 0.031 -17.824 6.820 1.00 96.41 175 A 1 ATOM 1361 C CA . SER A 1 175 ? -0.981 -17.760 7.880 1.00 96.33 175 A 1 ATOM 1362 C C . SER A 1 175 ? -0.550 -16.762 8.961 1.00 96.85 175 A 1 ATOM 1363 O O . SER A 1 175 ? 0.642 -16.645 9.263 1.00 96.79 175 A 1 ATOM 1364 C CB . SER A 1 175 ? -1.262 -19.144 8.484 1.00 96.04 175 A 1 ATOM 1365 O OG . SER A 1 175 ? -0.195 -19.586 9.304 1.00 94.99 175 A 1 ATOM 1366 N N . THR A 1 176 ? -1.512 -16.083 9.592 1.00 96.39 176 A 1 ATOM 1367 C CA . THR A 1 176 ? -1.237 -15.110 10.666 1.00 96.64 176 A 1 ATOM 1368 C C . THR A 1 176 ? -0.377 -15.709 11.785 1.00 97.15 176 A 1 ATOM 1369 O O . THR A 1 176 ? 0.526 -15.048 12.291 1.00 96.99 176 A 1 ATOM 1370 C CB . THR A 1 176 ? -2.557 -14.595 11.259 1.00 95.99 176 A 1 ATOM 1371 O OG1 . THR A 1 176 ? -3.365 -14.076 10.233 1.00 93.02 176 A 1 ATOM 1372 C CG2 . THR A 1 176 ? -2.362 -13.478 12.280 1.00 92.71 176 A 1 ATOM 1373 N N . GLU A 1 177 ? -0.610 -16.967 12.137 1.00 96.42 177 A 1 ATOM 1374 C CA . GLU A 1 177 ? 0.151 -17.663 13.180 1.00 96.35 177 A 1 ATOM 1375 C C . GLU A 1 177 ? 1.607 -17.929 12.768 1.00 96.74 177 A 1 ATOM 1376 O O . GLU A 1 177 ? 2.539 -17.636 13.518 1.00 96.58 177 A 1 ATOM 1377 C CB . GLU A 1 177 ? -0.590 -18.972 13.518 1.00 96.10 177 A 1 ATOM 1378 C CG . GLU A 1 177 ? -0.004 -19.699 14.736 1.00 82.97 177 A 1 ATOM 1379 C CD . GLU A 1 177 ? 0.021 -18.827 15.999 1.00 76.66 177 A 1 ATOM 1380 O OE1 . GLU A 1 177 ? 0.933 -19.056 16.818 1.00 69.83 177 A 1 ATOM 1381 O OE2 . GLU A 1 177 ? -0.836 -17.917 16.114 1.00 71.10 177 A 1 ATOM 1382 N N . ASN A 1 178 ? 1.823 -18.398 11.543 1.00 97.41 178 A 1 ATOM 1383 C CA . ASN A 1 178 ? 3.176 -18.602 11.020 1.00 97.26 178 A 1 ATOM 1384 C C . ASN A 1 178 ? 3.934 -17.277 10.918 1.00 97.51 178 A 1 ATOM 1385 O O . ASN A 1 178 ? 5.119 -17.218 11.254 1.00 97.31 178 A 1 ATOM 1386 C CB . ASN A 1 178 ? 3.100 -19.292 9.650 1.00 97.01 178 A 1 ATOM 1387 C CG . ASN A 1 178 ? 2.715 -20.758 9.732 1.00 93.99 178 A 1 ATOM 1388 O OD1 . ASN A 1 178 ? 2.698 -21.386 10.775 1.00 88.06 178 A 1 ATOM 1389 N ND2 . ASN A 1 178 ? 2.409 -21.363 8.611 1.00 87.51 178 A 1 ATOM 1390 N N . LEU A 1 179 ? 3.248 -16.210 10.509 1.00 97.64 179 A 1 ATOM 1391 C CA . LEU A 1 179 ? 3.832 -14.878 10.435 1.00 97.83 179 A 1 ATOM 1392 C C . LEU A 1 179 ? 4.223 -14.354 11.823 1.00 97.82 179 A 1 ATOM 1393 O O . LEU A 1 179 ? 5.345 -13.884 11.993 1.00 97.72 179 A 1 ATOM 1394 C CB . LEU A 1 179 ? 2.864 -13.947 9.687 1.00 97.87 179 A 1 ATOM 1395 C CG . LEU A 1 179 ? 3.407 -12.521 9.488 1.00 97.28 179 A 1 ATOM 1396 C CD1 . LEU A 1 179 ? 4.765 -12.493 8.789 1.00 96.45 179 A 1 ATOM 1397 C CD2 . LEU A 1 179 ? 2.419 -11.721 8.641 1.00 96.57 179 A 1 ATOM 1398 N N . LYS A 1 180 ? 3.359 -14.506 12.842 1.00 97.73 180 A 1 ATOM 1399 C CA . LYS A 1 180 ? 3.683 -14.150 14.235 1.00 97.51 180 A 1 ATOM 1400 C C . LYS A 1 180 ? 4.936 -14.869 14.728 1.00 97.43 180 A 1 ATOM 1401 O O . LYS A 1 180 ? 5.855 -14.219 15.225 1.00 97.09 180 A 1 ATOM 1402 C CB . LYS A 1 180 ? 2.512 -14.492 15.162 1.00 97.25 180 A 1 ATOM 1403 C CG . LYS A 1 180 ? 1.389 -13.460 15.074 1.00 94.04 180 A 1 ATOM 1404 C CD . LYS A 1 180 ? 0.208 -13.907 15.933 1.00 92.51 180 A 1 ATOM 1405 C CE . LYS A 1 180 ? -0.904 -12.868 15.841 1.00 88.37 180 A 1 ATOM 1406 N NZ . LYS A 1 180 ? -2.088 -13.293 16.618 1.00 81.07 180 A 1 ATOM 1407 N N . ASN A 1 181 ? 4.996 -16.178 14.537 1.00 97.28 181 A 1 ATOM 1408 C CA . ASN A 1 181 ? 6.134 -16.993 14.956 1.00 97.02 181 A 1 ATOM 1409 C C . ASN A 1 181 ? 7.426 -16.594 14.229 1.00 97.09 181 A 1 ATOM 1410 O O . ASN A 1 181 ? 8.486 -16.449 14.844 1.00 96.72 181 A 1 ATOM 1411 C CB . ASN A 1 181 ? 5.769 -18.476 14.742 1.00 96.81 181 A 1 ATOM 1412 C CG . ASN A 1 181 ? 4.743 -18.951 15.758 1.00 94.81 181 A 1 ATOM 1413 O OD1 . ASN A 1 181 ? 4.785 -18.563 16.911 1.00 88.99 181 A 1 ATOM 1414 N ND2 . ASN A 1 181 ? 3.813 -19.786 15.384 1.00 89.46 181 A 1 ATOM 1415 N N . PHE A 1 182 ? 7.338 -16.347 12.924 1.00 97.19 182 A 1 ATOM 1416 C CA . PHE A 1 182 ? 8.461 -15.860 12.128 1.00 97.17 182 A 1 ATOM 1417 C C . PHE A 1 182 ? 8.969 -14.497 12.623 1.00 97.43 182 A 1 ATOM 1418 O O . PHE A 1 182 ? 10.174 -14.320 12.818 1.00 97.21 182 A 1 ATOM 1419 C CB . PHE A 1 182 ? 8.036 -15.803 10.654 1.00 96.99 182 A 1 ATOM 1420 C CG . PHE A 1 182 ? 9.062 -15.139 9.764 1.00 97.22 182 A 1 ATOM 1421 C CD1 . PHE A 1 182 ? 8.836 -13.837 9.271 1.00 96.43 182 A 1 ATOM 1422 C CD2 . PHE A 1 182 ? 10.256 -15.806 9.451 1.00 96.77 182 A 1 ATOM 1423 C CE1 . PHE A 1 182 ? 9.803 -13.216 8.464 1.00 96.09 182 A 1 ATOM 1424 C CE2 . PHE A 1 182 ? 11.224 -15.182 8.645 1.00 96.07 182 A 1 ATOM 1425 C CZ . PHE A 1 182 ? 10.996 -13.888 8.149 1.00 96.28 182 A 1 ATOM 1426 N N . LEU A 1 183 ? 8.065 -13.540 12.868 1.00 97.63 183 A 1 ATOM 1427 C CA . LEU A 1 183 ? 8.417 -12.201 13.338 1.00 97.43 183 A 1 ATOM 1428 C C . LEU A 1 183 ? 9.003 -12.228 14.753 1.00 97.13 183 A 1 ATOM 1429 O O . LEU A 1 183 ? 10.029 -11.592 14.980 1.00 96.89 183 A 1 ATOM 1430 C CB . LEU A 1 183 ? 7.184 -11.288 13.261 1.00 97.62 183 A 1 ATOM 1431 C CG . LEU A 1 183 ? 6.721 -10.967 11.830 1.00 97.39 183 A 1 ATOM 1432 C CD1 . LEU A 1 183 ? 5.394 -10.217 11.885 1.00 96.83 183 A 1 ATOM 1433 C CD2 . LEU A 1 183 ? 7.724 -10.111 11.058 1.00 96.86 183 A 1 ATOM 1434 N N . ALA A 1 184 ? 8.423 -13.008 15.670 1.00 97.30 184 A 1 ATOM 1435 C CA . ALA A 1 184 ? 8.959 -13.184 17.021 1.00 96.81 184 A 1 ATOM 1436 C C . ALA A 1 184 ? 10.413 -13.688 16.994 1.00 96.61 184 A 1 ATOM 1437 O O . ALA A 1 184 ? 11.287 -13.119 17.646 1.00 95.72 184 A 1 ATOM 1438 C CB . ALA A 1 184 ? 8.036 -14.144 17.785 1.00 96.26 184 A 1 ATOM 1439 N N . MET A 1 185 ? 10.703 -14.681 16.151 1.00 96.62 185 A 1 ATOM 1440 C CA . MET A 1 185 ? 12.066 -15.193 15.966 1.00 96.15 185 A 1 ATOM 1441 C C . MET A 1 185 ? 13.025 -14.141 15.386 1.00 96.08 185 A 1 ATOM 1442 O O . MET A 1 185 ? 14.197 -14.092 15.762 1.00 95.07 185 A 1 ATOM 1443 C CB . MET A 1 185 ? 12.000 -16.430 15.054 1.00 95.37 185 A 1 ATOM 1444 C CG . MET A 1 185 ? 13.372 -17.076 14.835 1.00 80.96 185 A 1 ATOM 1445 S SD . MET A 1 185 ? 13.425 -18.415 13.614 1.00 75.51 185 A 1 ATOM 1446 C CE . MET A 1 185 ? 12.982 -17.521 12.104 1.00 64.17 185 A 1 ATOM 1447 N N . LYS A 1 186 ? 12.568 -13.318 14.439 1.00 95.98 186 A 1 ATOM 1448 C CA . LYS A 1 186 ? 13.420 -12.329 13.753 1.00 95.27 186 A 1 ATOM 1449 C C . LYS A 1 186 ? 13.659 -11.053 14.551 1.00 94.70 186 A 1 ATOM 1450 O O . LYS A 1 186 ? 14.698 -10.417 14.359 1.00 92.70 186 A 1 ATOM 1451 C CB . LYS A 1 186 ? 12.821 -11.987 12.379 1.00 95.21 186 A 1 ATOM 1452 C CG . LYS A 1 186 ? 12.948 -13.119 11.353 1.00 94.89 186 A 1 ATOM 1453 C CD . LYS A 1 186 ? 14.408 -13.435 11.002 1.00 93.20 186 A 1 ATOM 1454 C CE . LYS A 1 186 ? 14.445 -14.474 9.885 1.00 91.09 186 A 1 ATOM 1455 N NZ . LYS A 1 186 ? 15.830 -14.871 9.551 1.00 84.70 186 A 1 ATOM 1456 N N . LEU A 1 187 ? 12.722 -10.674 15.404 1.00 94.65 187 A 1 ATOM 1457 C CA . LEU A 1 187 ? 12.789 -9.444 16.191 1.00 92.14 187 A 1 ATOM 1458 C C . LEU A 1 187 ? 13.450 -9.648 17.565 1.00 89.02 187 A 1 ATOM 1459 O O . LEU A 1 187 ? 13.705 -8.652 18.231 1.00 81.68 187 A 1 ATOM 1460 C CB . LEU A 1 187 ? 11.384 -8.821 16.266 1.00 92.24 187 A 1 ATOM 1461 C CG . LEU A 1 187 ? 10.827 -8.361 14.902 1.00 93.07 187 A 1 ATOM 1462 C CD1 . LEU A 1 187 ? 9.367 -7.953 15.046 1.00 90.20 187 A 1 ATOM 1463 C CD2 . LEU A 1 187 ? 11.599 -7.168 14.327 1.00 91.75 187 A 1 ATOM 1464 N N . ASN A 1 188 ? 13.791 -10.892 17.942 1.00 86.61 188 A 1 ATOM 1465 C CA . ASN A 1 188 ? 14.443 -11.254 19.212 1.00 82.85 188 A 1 ATOM 1466 C C . ASN A 1 188 ? 13.733 -10.668 20.451 1.00 81.15 188 A 1 ATOM 1467 O O . ASN A 1 188 ? 14.376 -10.025 21.287 1.00 74.18 188 A 1 ATOM 1468 C CB . ASN A 1 188 ? 15.948 -10.902 19.171 1.00 76.15 188 A 1 ATOM 1469 C CG . ASN A 1 188 ? 16.789 -11.751 18.245 1.00 68.42 188 A 1 ATOM 1470 O OD1 . ASN A 1 188 ? 16.513 -12.888 17.920 1.00 62.39 188 A 1 ATOM 1471 N ND2 . ASN A 1 188 ? 17.920 -11.233 17.824 1.00 61.68 188 A 1 ATOM 1472 N N . PHE A 1 189 ? 12.417 -10.858 20.546 1.00 72.77 189 A 1 ATOM 1473 C CA . PHE A 1 189 ? 11.657 -10.614 21.772 1.00 63.82 189 A 1 ATOM 1474 C C . PHE A 1 189 ? 11.651 -11.853 22.669 1.00 54.81 189 A 1 ATOM 1475 O O . PHE A 1 189 ? 11.548 -12.974 22.127 1.00 48.66 189 A 1 ATOM 1476 C CB . PHE A 1 189 ? 10.242 -10.131 21.453 1.00 56.96 189 A 1 ATOM 1477 C CG . PHE A 1 189 ? 10.172 -8.750 20.823 1.00 54.44 189 A 1 ATOM 1478 C CD1 . PHE A 1 189 ? 10.538 -7.612 21.560 1.00 52.96 189 A 1 ATOM 1479 C CD2 . PHE A 1 189 ? 9.735 -8.605 19.493 1.00 52.43 189 A 1 ATOM 1480 C CE1 . PHE A 1 189 ? 10.471 -6.331 20.973 1.00 48.40 189 A 1 ATOM 1481 C CE2 . PHE A 1 189 ? 9.665 -7.326 18.905 1.00 53.30 189 A 1 ATOM 1482 C CZ . PHE A 1 189 ? 10.038 -6.189 19.646 1.00 47.81 189 A 1 ATOM 1483 O OXT . PHE A 1 189 ? 11.748 -11.618 23.892 1.00 50.53 189 A 1 #