# 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_acriic9 # _entry.id acriic9 # 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 THR 2 1 n ASN 3 1 n LEU 4 1 n ILE 5 1 n MET 6 1 n GLN 7 1 n LYS 8 1 n ILE 9 1 n VAL 10 1 n GLU 11 1 n SER 12 1 n GLU 13 1 n ILE 14 1 n THR 15 1 n ASN 16 1 n ASN 17 1 n TYR 18 1 n THR 19 1 n SER 20 1 n LYS 21 1 n LYS 22 1 n ALA 23 1 n PHE 24 1 n ALA 25 1 n GLU 26 1 n LYS 27 1 n TYR 28 1 n LEU 29 1 n GLY 30 1 n VAL 31 1 n SER 32 1 n ASN 33 1 n VAL 34 1 n SER 35 1 n LEU 36 1 n SER 37 1 n ARG 38 1 n TYR 39 1 n LEU 40 1 n SER 41 1 n GLY 42 1 n GLU 43 1 n GLN 44 1 n GLY 45 1 n LEU 46 1 n LYS 47 1 n ALA 48 1 n GLU 49 1 n THR 50 1 n MET 51 1 n ASN 52 1 n ARG 53 1 n VAL 54 1 n GLU 55 1 n ALA 56 1 n LEU 57 1 n PHE 58 1 n THR 59 1 n HIS 60 1 n TYR 61 1 n GLU 62 1 n LEU 63 1 n CYS 64 1 n ILE 65 1 n ILE 66 1 n LYS 67 1 n LYS 68 1 n MET 69 1 n LEU 70 1 n LEU 71 1 n ALA 72 1 n SER 73 1 n MET 74 1 n HIS 75 1 n THR 76 1 n PRO 77 1 n GLU 78 1 n PHE 79 1 n ARG 80 1 n GLU 81 1 n ASN 82 1 n PRO 83 1 n VAL 84 1 n GLY 85 1 n GLU 86 1 n PHE 87 1 n ASN 88 1 n ARG 89 1 n LEU 90 1 n LYS 91 1 n LEU 92 1 n GLU 93 1 n ILE 94 1 n ALA 95 1 n LYS 96 1 n LYS 97 1 n TRP 98 1 n VAL 99 1 n SER 100 1 n TYR 101 1 n ASN 102 1 n ARG 103 1 n SER 104 1 n PHE 105 1 n LEU 106 1 n ASP 107 1 n ALA 108 1 n GLY 109 1 n THR 110 1 n SER 111 1 n GLU 112 1 n LEU 113 1 n PRO 114 1 n CYS 115 1 n GLU 116 1 n LEU 117 1 n LYS 118 1 n ILE 119 1 n GLN 120 1 n TYR 121 1 n GLN 122 1 n GLY 123 1 n PRO 124 1 n SER 125 1 n ILE 126 1 n ASP 127 1 n PRO 128 1 n SER 129 1 n TYR 130 1 n GLN 131 1 n LYS 132 1 n TRP 133 1 n SER 134 1 n SER 135 1 n ALA 136 1 n VAL 137 1 n MET 138 1 n ALA 139 1 n VAL 140 1 n LYS 141 1 n LEU 142 1 n VAL 143 1 n HIS 144 1 n ASP 145 1 n ASN 146 1 n PRO 147 1 n MET 148 1 n MET 149 1 n ASN 150 1 n ASP 151 1 n VAL 152 1 n ILE 153 1 n THR 154 1 n LEU 155 1 n ARG 156 1 n LEU 157 1 n PRO 158 1 n GLY 159 1 n VAL 160 1 n SER 161 1 n LYS 162 1 n ASN 163 1 n ARG 164 1 n ALA 165 1 n SER 166 1 n ALA 167 1 n VAL 168 1 n PRO 169 1 n ALA 170 1 n GLY 171 1 n LYS 172 1 n LYS 173 1 n ASN 174 1 n ARG 175 1 n GLN 176 1 n GLU 177 1 n TRP 178 1 n PHE 179 1 n GLU 180 1 n LYS 181 1 n HIS 182 1 n ILE 183 1 n ASP 184 1 n GLN 185 1 n GLU 186 1 n PHE 187 1 n ASN 188 1 n ALA 189 1 n GLU 190 1 n ILE 191 # _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 01:38:07)" _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 89.32 _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 65.05 1 1 A THR 2 2 76.17 1 2 A ASN 3 2 81.42 1 3 A LEU 4 2 94.58 1 4 A ILE 5 2 97.29 1 5 A MET 6 2 94.26 1 6 A GLN 7 2 95.86 1 7 A LYS 8 2 91.66 1 8 A ILE 9 2 97.77 1 9 A VAL 10 2 98.04 1 10 A GLU 11 2 94.01 1 11 A SER 12 2 94.75 1 12 A GLU 13 2 90.87 1 13 A ILE 14 2 96.20 1 14 A THR 15 2 92.16 1 15 A ASN 16 2 89.33 1 16 A ASN 17 2 88.30 1 17 A TYR 18 2 92.76 1 18 A THR 19 2 91.65 1 19 A SER 20 2 95.23 1 20 A LYS 21 2 93.12 1 21 A LYS 22 2 93.16 1 22 A ALA 23 2 94.87 1 23 A PHE 24 2 96.17 1 24 A ALA 25 2 97.03 1 25 A GLU 26 2 94.30 1 26 A LYS 27 2 88.45 1 27 A TYR 28 2 92.84 1 28 A LEU 29 2 96.12 1 29 A GLY 30 2 96.93 1 30 A VAL 31 2 97.50 1 31 A SER 32 2 97.47 1 32 A ASN 33 2 93.90 1 33 A VAL 34 2 96.99 1 34 A SER 35 2 96.10 1 35 A LEU 36 2 98.05 1 36 A SER 37 2 95.68 1 37 A ARG 38 2 90.50 1 38 A TYR 39 2 97.78 1 39 A LEU 40 2 97.74 1 40 A SER 41 2 96.58 1 41 A GLY 42 2 96.38 1 42 A GLU 43 2 88.68 1 43 A GLN 44 2 85.12 1 44 A GLY 45 2 95.18 1 45 A LEU 46 2 96.39 1 46 A LYS 47 2 89.98 1 47 A ALA 48 2 97.25 1 48 A GLU 49 2 85.42 1 49 A THR 50 2 97.16 1 50 A MET 51 2 93.46 1 51 A ASN 52 2 94.60 1 52 A ARG 53 2 86.82 1 53 A VAL 54 2 97.46 1 54 A GLU 55 2 95.41 1 55 A ALA 56 2 95.41 1 56 A LEU 57 2 95.09 1 57 A PHE 58 2 97.09 1 58 A THR 59 2 96.24 1 59 A HIS 60 2 83.71 1 60 A TYR 61 2 94.92 1 61 A GLU 62 2 96.53 1 62 A LEU 63 2 96.79 1 63 A CYS 64 2 95.60 1 64 A ILE 65 2 97.68 1 65 A ILE 66 2 97.94 1 66 A LYS 67 2 87.40 1 67 A LYS 68 2 92.36 1 68 A MET 69 2 96.94 1 69 A LEU 70 2 94.78 1 70 A LEU 71 2 93.72 1 71 A ALA 72 2 95.62 1 72 A SER 73 2 94.55 1 73 A MET 74 2 84.16 1 74 A HIS 75 2 87.44 1 75 A THR 76 2 93.14 1 76 A PRO 77 2 94.25 1 77 A GLU 78 2 87.49 1 78 A PHE 79 2 95.89 1 79 A ARG 80 2 89.06 1 80 A GLU 81 2 91.65 1 81 A ASN 82 2 92.45 1 82 A PRO 83 2 96.38 1 83 A VAL 84 2 95.86 1 84 A GLY 85 2 95.06 1 85 A GLU 86 2 94.44 1 86 A PHE 87 2 97.20 1 87 A ASN 88 2 94.40 1 88 A ARG 89 2 87.94 1 89 A LEU 90 2 96.57 1 90 A LYS 91 2 95.47 1 91 A LEU 92 2 95.92 1 92 A GLU 93 2 89.78 1 93 A ILE 94 2 96.65 1 94 A ALA 95 2 97.34 1 95 A LYS 96 2 95.05 1 96 A LYS 97 2 91.07 1 97 A TRP 98 2 97.29 1 98 A VAL 99 2 96.84 1 99 A SER 100 2 96.49 1 100 A TYR 101 2 94.62 1 101 A ASN 102 2 94.54 1 102 A ARG 103 2 83.64 1 103 A SER 104 2 92.92 1 104 A PHE 105 2 93.37 1 105 A LEU 106 2 90.81 1 106 A ASP 107 2 89.73 1 107 A ALA 108 2 92.56 1 108 A GLY 109 2 89.11 1 109 A THR 110 2 85.88 1 110 A SER 111 2 84.26 1 111 A GLU 112 2 79.99 1 112 A LEU 113 2 92.66 1 113 A PRO 114 2 94.65 1 114 A CYS 115 2 95.50 1 115 A GLU 116 2 90.39 1 116 A LEU 117 2 95.30 1 117 A LYS 118 2 85.81 1 118 A ILE 119 2 90.49 1 119 A GLN 120 2 80.94 1 120 A TYR 121 2 85.78 1 121 A GLN 122 2 67.68 1 122 A GLY 123 2 71.86 1 123 A PRO 124 2 64.50 1 124 A SER 125 2 58.91 1 125 A ILE 126 2 64.00 1 126 A ASP 127 2 79.67 1 127 A PRO 128 2 79.20 1 128 A SER 129 2 81.67 1 129 A TYR 130 2 83.28 1 130 A GLN 131 2 82.86 1 131 A LYS 132 2 84.61 1 132 A TRP 133 2 74.27 1 133 A SER 134 2 80.31 1 134 A SER 135 2 86.14 1 135 A ALA 136 2 91.06 1 136 A VAL 137 2 92.25 1 137 A MET 138 2 93.68 1 138 A ALA 139 2 96.37 1 139 A VAL 140 2 96.73 1 140 A LYS 141 2 93.46 1 141 A LEU 142 2 94.13 1 142 A VAL 143 2 92.62 1 143 A HIS 144 2 85.55 1 144 A ASP 145 2 85.35 1 145 A ASN 146 2 89.12 1 146 A PRO 147 2 88.77 1 147 A MET 148 2 82.33 1 148 A MET 149 2 84.03 1 149 A ASN 150 2 91.55 1 150 A ASP 151 2 93.53 1 151 A VAL 152 2 95.87 1 152 A ILE 153 2 93.52 1 153 A THR 154 2 94.32 1 154 A LEU 155 2 94.88 1 155 A ARG 156 2 80.96 1 156 A LEU 157 2 91.99 1 157 A PRO 158 2 86.00 1 158 A GLY 159 2 83.47 1 159 A VAL 160 2 86.35 1 160 A SER 161 2 83.06 1 161 A LYS 162 2 75.20 1 162 A ASN 163 2 70.77 1 163 A ARG 164 2 60.13 1 164 A ALA 165 2 70.43 1 165 A SER 166 2 73.73 1 166 A ALA 167 2 85.15 1 167 A VAL 168 2 90.66 1 168 A PRO 169 2 92.27 1 169 A ALA 170 2 91.98 1 170 A GLY 171 2 93.42 1 171 A LYS 172 2 90.75 1 172 A LYS 173 2 87.05 1 173 A ASN 174 2 92.03 1 174 A ARG 175 2 87.43 1 175 A GLN 176 2 92.29 1 176 A GLU 177 2 89.83 1 177 A TRP 178 2 93.93 1 178 A PHE 179 2 96.38 1 179 A GLU 180 2 93.87 1 180 A LYS 181 2 85.73 1 181 A HIS 182 2 89.41 1 182 A ILE 183 2 92.97 1 183 A ASP 184 2 90.67 1 184 A GLN 185 2 79.55 1 185 A GLU 186 2 82.16 1 186 A PHE 187 2 81.52 1 187 A ASN 188 2 64.09 1 188 A ALA 189 2 56.79 1 189 A GLU 190 2 51.48 1 190 A ILE 191 2 53.02 1 191 # _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 THR . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n MET . 6 A 6 A 7 1 n GLN . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n GLU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n GLU . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n LYS . 21 A 21 A 22 1 n LYS . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n PHE . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n GLU . 26 A 26 A 27 1 n LYS . 27 A 27 A 28 1 n TYR . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n GLY . 30 A 30 A 31 1 n VAL . 31 A 31 A 32 1 n SER . 32 A 32 A 33 1 n ASN . 33 A 33 A 34 1 n VAL . 34 A 34 A 35 1 n SER . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n SER . 37 A 37 A 38 1 n ARG . 38 A 38 A 39 1 n TYR . 39 A 39 A 40 1 n LEU . 40 A 40 A 41 1 n SER . 41 A 41 A 42 1 n GLY . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n GLN . 44 A 44 A 45 1 n GLY . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n GLU . 49 A 49 A 50 1 n THR . 50 A 50 A 51 1 n MET . 51 A 51 A 52 1 n ASN . 52 A 52 A 53 1 n ARG . 53 A 53 A 54 1 n VAL . 54 A 54 A 55 1 n GLU . 55 A 55 A 56 1 n ALA . 56 A 56 A 57 1 n LEU . 57 A 57 A 58 1 n PHE . 58 A 58 A 59 1 n THR . 59 A 59 A 60 1 n HIS . 60 A 60 A 61 1 n TYR . 61 A 61 A 62 1 n GLU . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n CYS . 64 A 64 A 65 1 n ILE . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n LYS . 67 A 67 A 68 1 n LYS . 68 A 68 A 69 1 n MET . 69 A 69 A 70 1 n LEU . 70 A 70 A 71 1 n LEU . 71 A 71 A 72 1 n ALA . 72 A 72 A 73 1 n SER . 73 A 73 A 74 1 n MET . 74 A 74 A 75 1 n HIS . 75 A 75 A 76 1 n THR . 76 A 76 A 77 1 n PRO . 77 A 77 A 78 1 n GLU . 78 A 78 A 79 1 n PHE . 79 A 79 A 80 1 n ARG . 80 A 80 A 81 1 n GLU . 81 A 81 A 82 1 n ASN . 82 A 82 A 83 1 n PRO . 83 A 83 A 84 1 n VAL . 84 A 84 A 85 1 n GLY . 85 A 85 A 86 1 n GLU . 86 A 86 A 87 1 n PHE . 87 A 87 A 88 1 n ASN . 88 A 88 A 89 1 n ARG . 89 A 89 A 90 1 n LEU . 90 A 90 A 91 1 n LYS . 91 A 91 A 92 1 n LEU . 92 A 92 A 93 1 n GLU . 93 A 93 A 94 1 n ILE . 94 A 94 A 95 1 n ALA . 95 A 95 A 96 1 n LYS . 96 A 96 A 97 1 n LYS . 97 A 97 A 98 1 n TRP . 98 A 98 A 99 1 n VAL . 99 A 99 A 100 1 n SER . 100 A 100 A 101 1 n TYR . 101 A 101 A 102 1 n ASN . 102 A 102 A 103 1 n ARG . 103 A 103 A 104 1 n SER . 104 A 104 A 105 1 n PHE . 105 A 105 A 106 1 n LEU . 106 A 106 A 107 1 n ASP . 107 A 107 A 108 1 n ALA . 108 A 108 A 109 1 n GLY . 109 A 109 A 110 1 n THR . 110 A 110 A 111 1 n SER . 111 A 111 A 112 1 n GLU . 112 A 112 A 113 1 n LEU . 113 A 113 A 114 1 n PRO . 114 A 114 A 115 1 n CYS . 115 A 115 A 116 1 n GLU . 116 A 116 A 117 1 n LEU . 117 A 117 A 118 1 n LYS . 118 A 118 A 119 1 n ILE . 119 A 119 A 120 1 n GLN . 120 A 120 A 121 1 n TYR . 121 A 121 A 122 1 n GLN . 122 A 122 A 123 1 n GLY . 123 A 123 A 124 1 n PRO . 124 A 124 A 125 1 n SER . 125 A 125 A 126 1 n ILE . 126 A 126 A 127 1 n ASP . 127 A 127 A 128 1 n PRO . 128 A 128 A 129 1 n SER . 129 A 129 A 130 1 n TYR . 130 A 130 A 131 1 n GLN . 131 A 131 A 132 1 n LYS . 132 A 132 A 133 1 n TRP . 133 A 133 A 134 1 n SER . 134 A 134 A 135 1 n SER . 135 A 135 A 136 1 n ALA . 136 A 136 A 137 1 n VAL . 137 A 137 A 138 1 n MET . 138 A 138 A 139 1 n ALA . 139 A 139 A 140 1 n VAL . 140 A 140 A 141 1 n LYS . 141 A 141 A 142 1 n LEU . 142 A 142 A 143 1 n VAL . 143 A 143 A 144 1 n HIS . 144 A 144 A 145 1 n ASP . 145 A 145 A 146 1 n ASN . 146 A 146 A 147 1 n PRO . 147 A 147 A 148 1 n MET . 148 A 148 A 149 1 n MET . 149 A 149 A 150 1 n ASN . 150 A 150 A 151 1 n ASP . 151 A 151 A 152 1 n VAL . 152 A 152 A 153 1 n ILE . 153 A 153 A 154 1 n THR . 154 A 154 A 155 1 n LEU . 155 A 155 A 156 1 n ARG . 156 A 156 A 157 1 n LEU . 157 A 157 A 158 1 n PRO . 158 A 158 A 159 1 n GLY . 159 A 159 A 160 1 n VAL . 160 A 160 A 161 1 n SER . 161 A 161 A 162 1 n LYS . 162 A 162 A 163 1 n ASN . 163 A 163 A 164 1 n ARG . 164 A 164 A 165 1 n ALA . 165 A 165 A 166 1 n SER . 166 A 166 A 167 1 n ALA . 167 A 167 A 168 1 n VAL . 168 A 168 A 169 1 n PRO . 169 A 169 A 170 1 n ALA . 170 A 170 A 171 1 n GLY . 171 A 171 A 172 1 n LYS . 172 A 172 A 173 1 n LYS . 173 A 173 A 174 1 n ASN . 174 A 174 A 175 1 n ARG . 175 A 175 A 176 1 n GLN . 176 A 176 A 177 1 n GLU . 177 A 177 A 178 1 n TRP . 178 A 178 A 179 1 n PHE . 179 A 179 A 180 1 n GLU . 180 A 180 A 181 1 n LYS . 181 A 181 A 182 1 n HIS . 182 A 182 A 183 1 n ILE . 183 A 183 A 184 1 n ASP . 184 A 184 A 185 1 n GLN . 185 A 185 A 186 1 n GLU . 186 A 186 A 187 1 n PHE . 187 A 187 A 188 1 n ASN . 188 A 188 A 189 1 n ALA . 189 A 189 A 190 1 n GLU . 190 A 190 A 191 1 n ILE . 191 A 191 # _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 ? -5.027 24.572 13.811 1.00 68.30 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.050 23.103 13.988 1.00 73.47 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.836 22.511 13.302 1.00 75.47 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.597 22.851 12.146 1.00 70.13 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.333 22.479 13.418 1.00 67.12 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.514 22.622 14.379 1.00 60.19 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.987 21.723 13.830 1.00 56.78 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.017 23.078 13.211 1.00 48.92 1 A 1 ATOM 9 N N . THR A 1 2 ? -3.068 21.683 14.000 1.00 77.17 2 A 1 ATOM 10 C CA . THR A 1 2 ? -1.898 20.998 13.435 1.00 81.48 2 A 1 ATOM 11 C C . THR A 1 2 ? -2.351 20.035 12.336 1.00 83.19 2 A 1 ATOM 12 O O . THR A 1 2 ? -3.315 19.294 12.520 1.00 78.15 2 A 1 ATOM 13 C CB . THR A 1 2 ? -1.129 20.248 14.535 1.00 75.88 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -0.927 21.120 15.630 1.00 68.67 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? 0.251 19.781 14.077 1.00 68.64 2 A 1 ATOM 16 N N . ASN A 1 3 ? -1.691 20.062 11.180 1.00 85.99 3 A 1 ATOM 17 C CA . ASN A 1 3 ? -1.976 19.132 10.091 1.00 88.81 3 A 1 ATOM 18 C C . ASN A 1 3 ? -1.343 17.767 10.419 1.00 91.89 3 A 1 ATOM 19 O O . ASN A 1 3 ? -0.122 17.654 10.427 1.00 89.76 3 A 1 ATOM 20 C CB . ASN A 1 3 ? -1.472 19.748 8.771 1.00 81.48 3 A 1 ATOM 21 C CG . ASN A 1 3 ? -1.855 18.920 7.558 1.00 75.32 3 A 1 ATOM 22 O OD1 . ASN A 1 3 ? -2.209 17.756 7.654 1.00 69.02 3 A 1 ATOM 23 N ND2 . ASN A 1 3 ? -1.809 19.511 6.385 1.00 69.12 3 A 1 ATOM 24 N N . LEU A 1 4 ? -2.173 16.756 10.694 1.00 93.85 4 A 1 ATOM 25 C CA . LEU A 1 4 ? -1.739 15.423 11.136 1.00 95.82 4 A 1 ATOM 26 C C . LEU A 1 4 ? -1.768 14.363 10.022 1.00 96.86 4 A 1 ATOM 27 O O . LEU A 1 4 ? -1.759 13.170 10.315 1.00 96.40 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -2.567 14.989 12.362 1.00 95.00 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -2.413 15.875 13.609 1.00 94.07 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? -3.297 15.330 14.730 1.00 92.00 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? -0.972 15.928 14.115 1.00 92.63 4 A 1 ATOM 32 N N . ILE A 1 5 ? -1.806 14.761 8.755 1.00 97.49 5 A 1 ATOM 33 C CA . ILE A 1 5 ? -1.918 13.836 7.614 1.00 97.73 5 A 1 ATOM 34 C C . ILE A 1 5 ? -0.823 12.769 7.659 1.00 97.95 5 A 1 ATOM 35 O O . ILE A 1 5 ? -1.120 11.575 7.654 1.00 97.90 5 A 1 ATOM 36 C CB . ILE A 1 5 ? -1.894 14.621 6.277 1.00 97.61 5 A 1 ATOM 37 C CG1 . ILE A 1 5 ? -3.214 15.407 6.121 1.00 96.95 5 A 1 ATOM 38 C CG2 . ILE A 1 5 ? -1.688 13.690 5.069 1.00 97.19 5 A 1 ATOM 39 C CD1 . ILE A 1 5 ? -3.191 16.436 4.991 1.00 95.52 5 A 1 ATOM 40 N N . MET A 1 6 ? 0.441 13.186 7.756 1.00 97.55 6 A 1 ATOM 41 C CA . MET A 1 6 ? 1.564 12.249 7.796 1.00 97.66 6 A 1 ATOM 42 C C . MET A 1 6 ? 1.480 11.325 9.013 1.00 97.89 6 A 1 ATOM 43 O O . MET A 1 6 ? 1.652 10.118 8.876 1.00 97.74 6 A 1 ATOM 44 C CB . MET A 1 6 ? 2.886 13.027 7.772 1.00 96.87 6 A 1 ATOM 45 C CG . MET A 1 6 ? 4.093 12.087 7.667 1.00 93.16 6 A 1 ATOM 46 S SD . MET A 1 6 ? 5.666 12.965 7.442 1.00 90.78 6 A 1 ATOM 47 C CE . MET A 1 6 ? 6.764 11.537 7.177 1.00 82.44 6 A 1 ATOM 48 N N . GLN A 1 7 ? 1.163 11.866 10.183 1.00 98.14 7 A 1 ATOM 49 C CA . GLN A 1 7 ? 1.073 11.107 11.431 1.00 98.17 7 A 1 ATOM 50 C C . GLN A 1 7 ? -0.008 10.026 11.363 1.00 98.25 7 A 1 ATOM 51 O O . GLN A 1 7 ? 0.235 8.905 11.797 1.00 98.12 7 A 1 ATOM 52 C CB . GLN A 1 7 ? 0.799 12.052 12.610 1.00 97.89 7 A 1 ATOM 53 C CG . GLN A 1 7 ? 1.969 12.981 12.974 1.00 96.18 7 A 1 ATOM 54 C CD . GLN A 1 7 ? 2.159 14.188 12.054 1.00 95.73 7 A 1 ATOM 55 O OE1 . GLN A 1 7 ? 1.435 14.437 11.098 1.00 90.57 7 A 1 ATOM 56 N NE2 . GLN A 1 7 ? 3.159 14.998 12.307 1.00 89.70 7 A 1 ATOM 57 N N . LYS A 1 8 ? -1.169 10.338 10.784 1.00 97.83 8 A 1 ATOM 58 C CA . LYS A 1 8 ? -2.265 9.373 10.626 1.00 97.67 8 A 1 ATOM 59 C C . LYS A 1 8 ? -1.925 8.262 9.635 1.00 97.75 8 A 1 ATOM 60 O O . LYS A 1 8 ? -2.196 7.095 9.915 1.00 97.57 8 A 1 ATOM 61 C CB . LYS A 1 8 ? -3.550 10.110 10.221 1.00 97.44 8 A 1 ATOM 62 C CG . LYS A 1 8 ? -4.137 10.992 11.345 1.00 94.72 8 A 1 ATOM 63 C CD . LYS A 1 8 ? -4.573 10.148 12.544 1.00 88.63 8 A 1 ATOM 64 C CE . LYS A 1 8 ? -5.149 11.008 13.666 1.00 82.17 8 A 1 ATOM 65 N NZ . LYS A 1 8 ? -5.376 10.171 14.872 1.00 71.18 8 A 1 ATOM 66 N N . ILE A 1 9 ? -1.269 8.593 8.535 1.00 97.92 9 A 1 ATOM 67 C CA . ILE A 1 9 ? -0.812 7.595 7.556 1.00 97.94 9 A 1 ATOM 68 C C . ILE A 1 9 ? 0.276 6.696 8.173 1.00 97.74 9 A 1 ATOM 69 O O . ILE A 1 9 ? 0.202 5.476 8.068 1.00 97.58 9 A 1 ATOM 70 C CB . ILE A 1 9 ? -0.348 8.294 6.259 1.00 98.13 9 A 1 ATOM 71 C CG1 . ILE A 1 9 ? -1.532 9.017 5.566 1.00 97.86 9 A 1 ATOM 72 C CG2 . ILE A 1 9 ? 0.261 7.271 5.285 1.00 97.88 9 A 1 ATOM 73 C CD1 . ILE A 1 9 ? -1.096 9.990 4.461 1.00 97.09 9 A 1 ATOM 74 N N . VAL A 1 10 ? 1.238 7.278 8.893 1.00 98.33 10 A 1 ATOM 75 C CA . VAL A 1 10 ? 2.270 6.527 9.630 1.00 98.30 10 A 1 ATOM 76 C C . VAL A 1 10 ? 1.639 5.616 10.685 1.00 98.04 10 A 1 ATOM 77 O O . VAL A 1 10 ? 2.022 4.458 10.804 1.00 97.77 10 A 1 ATOM 78 C CB . VAL A 1 10 ? 3.284 7.498 10.276 1.00 98.30 10 A 1 ATOM 79 C CG1 . VAL A 1 10 ? 4.231 6.821 11.279 1.00 97.79 10 A 1 ATOM 80 C CG2 . VAL A 1 10 ? 4.157 8.161 9.204 1.00 97.77 10 A 1 ATOM 81 N N . GLU A 1 11 ? 0.657 6.097 11.435 1.00 97.92 11 A 1 ATOM 82 C CA . GLU A 1 11 ? -0.042 5.307 12.453 1.00 97.75 11 A 1 ATOM 83 C C . GLU A 1 11 ? -0.778 4.095 11.853 1.00 97.23 11 A 1 ATOM 84 O O . GLU A 1 11 ? -0.728 3.003 12.429 1.00 96.54 11 A 1 ATOM 85 C CB . GLU A 1 11 ? -0.999 6.241 13.206 1.00 97.63 11 A 1 ATOM 86 C CG . GLU A 1 11 ? -1.749 5.544 14.339 1.00 93.56 11 A 1 ATOM 87 C CD . GLU A 1 11 ? -2.554 6.551 15.178 1.00 93.07 11 A 1 ATOM 88 O OE1 . GLU A 1 11 ? -2.549 6.385 16.418 1.00 85.00 11 A 1 ATOM 89 O OE2 . GLU A 1 11 ? -3.170 7.483 14.626 1.00 87.42 11 A 1 ATOM 90 N N . SER A 1 12 ? -1.402 4.266 10.694 1.00 96.85 12 A 1 ATOM 91 C CA . SER A 1 12 ? -2.007 3.170 9.926 1.00 96.12 12 A 1 ATOM 92 C C . SER A 1 12 ? -0.948 2.152 9.494 1.00 95.59 12 A 1 ATOM 93 O O . SER A 1 12 ? -1.089 0.953 9.742 1.00 94.79 12 A 1 ATOM 94 C CB . SER A 1 12 ? -2.734 3.742 8.703 1.00 95.68 12 A 1 ATOM 95 O OG . SER A 1 12 ? -3.395 2.707 8.002 1.00 89.44 12 A 1 ATOM 96 N N . GLU A 1 13 ? 0.171 2.623 8.959 1.00 95.91 13 A 1 ATOM 97 C CA . GLU A 1 13 ? 1.281 1.777 8.523 1.00 95.31 13 A 1 ATOM 98 C C . GLU A 1 13 ? 1.903 0.976 9.682 1.00 94.91 13 A 1 ATOM 99 O O . GLU A 1 13 ? 2.172 -0.219 9.547 1.00 93.60 13 A 1 ATOM 100 C CB . GLU A 1 13 ? 2.308 2.681 7.821 1.00 94.76 13 A 1 ATOM 101 C CG . GLU A 1 13 ? 3.415 1.916 7.097 1.00 89.13 13 A 1 ATOM 102 C CD . GLU A 1 13 ? 2.871 0.936 6.053 1.00 89.58 13 A 1 ATOM 103 O OE1 . GLU A 1 13 ? 3.498 -0.129 5.885 1.00 82.02 13 A 1 ATOM 104 O OE2 . GLU A 1 13 ? 1.793 1.149 5.457 1.00 82.60 13 A 1 ATOM 105 N N . ILE A 1 14 ? 2.056 1.600 10.851 1.00 96.23 14 A 1 ATOM 106 C CA . ILE A 1 14 ? 2.491 0.919 12.081 1.00 96.30 14 A 1 ATOM 107 C C . ILE A 1 14 ? 1.492 -0.179 12.455 1.00 95.42 14 A 1 ATOM 108 O O . ILE A 1 14 ? 1.888 -1.299 12.768 1.00 94.67 14 A 1 ATOM 109 C CB . ILE A 1 14 ? 2.658 1.931 13.238 1.00 97.06 14 A 1 ATOM 110 C CG1 . ILE A 1 14 ? 3.828 2.902 12.967 1.00 96.93 14 A 1 ATOM 111 C CG2 . ILE A 1 14 ? 2.904 1.209 14.580 1.00 96.72 14 A 1 ATOM 112 C CD1 . ILE A 1 14 ? 3.810 4.147 13.859 1.00 96.31 14 A 1 ATOM 113 N N . THR A 1 15 ? 0.196 0.116 12.411 1.00 94.94 15 A 1 ATOM 114 C CA . THR A 1 15 ? -0.858 -0.844 12.761 1.00 94.17 15 A 1 ATOM 115 C C . THR A 1 15 ? -0.851 -2.056 11.828 1.00 93.00 15 A 1 ATOM 116 O O . THR A 1 15 ? -1.077 -3.176 12.288 1.00 91.25 15 A 1 ATOM 117 C CB . THR A 1 15 ? -2.232 -0.160 12.751 1.00 93.81 15 A 1 ATOM 118 O OG1 . THR A 1 15 ? -2.206 0.907 13.684 1.00 89.78 15 A 1 ATOM 119 C CG2 . THR A 1 15 ? -3.367 -1.089 13.172 1.00 88.20 15 A 1 ATOM 120 N N . ASN A 1 16 ? -0.523 -1.862 10.554 1.00 93.17 16 A 1 ATOM 121 C CA . ASN A 1 16 ? -0.496 -2.921 9.552 1.00 91.72 16 A 1 ATOM 122 C C . ASN A 1 16 ? 0.748 -3.814 9.642 1.00 90.87 16 A 1 ATOM 123 O O . ASN A 1 16 ? 0.638 -5.023 9.453 1.00 89.11 16 A 1 ATOM 124 C CB . ASN A 1 16 ? -0.672 -2.274 8.167 1.00 91.08 16 A 1 ATOM 125 C CG . ASN A 1 16 ? -2.097 -1.775 7.952 1.00 89.43 16 A 1 ATOM 126 O OD1 . ASN A 1 16 ? -3.020 -2.201 8.627 1.00 84.86 16 A 1 ATOM 127 N ND2 . ASN A 1 16 ? -2.320 -0.898 7.003 1.00 84.41 16 A 1 ATOM 128 N N . ASN A 1 17 ? 1.914 -3.265 9.989 1.00 92.07 17 A 1 ATOM 129 C CA . ASN A 1 17 ? 3.186 -3.993 9.885 1.00 91.46 17 A 1 ATOM 130 C C . ASN A 1 17 ? 3.862 -4.327 11.220 1.00 91.92 17 A 1 ATOM 131 O O . ASN A 1 17 ? 4.862 -5.050 11.230 1.00 90.55 17 A 1 ATOM 132 C CB . ASN A 1 17 ? 4.135 -3.203 8.991 1.00 90.37 17 A 1 ATOM 133 C CG . ASN A 1 17 ? 3.577 -3.047 7.596 1.00 87.83 17 A 1 ATOM 134 O OD1 . ASN A 1 17 ? 3.308 -4.001 6.884 1.00 81.18 17 A 1 ATOM 135 N ND2 . ASN A 1 17 ? 3.366 -1.825 7.180 1.00 80.99 17 A 1 ATOM 136 N N . TYR A 1 18 ? 3.335 -3.838 12.351 1.00 92.64 18 A 1 ATOM 137 C CA . TYR A 1 18 ? 3.967 -4.032 13.652 1.00 93.22 18 A 1 ATOM 138 C C . TYR A 1 18 ? 2.993 -4.608 14.674 1.00 93.32 18 A 1 ATOM 139 O O . TYR A 1 18 ? 1.781 -4.390 14.615 1.00 92.67 18 A 1 ATOM 140 C CB . TYR A 1 18 ? 4.623 -2.727 14.123 1.00 93.56 18 A 1 ATOM 141 C CG . TYR A 1 18 ? 5.737 -2.252 13.201 1.00 93.64 18 A 1 ATOM 142 C CD1 . TYR A 1 18 ? 7.073 -2.629 13.446 1.00 92.52 18 A 1 ATOM 143 C CD2 . TYR A 1 18 ? 5.429 -1.479 12.065 1.00 92.77 18 A 1 ATOM 144 C CE1 . TYR A 1 18 ? 8.096 -2.236 12.560 1.00 92.21 18 A 1 ATOM 145 C CE2 . TYR A 1 18 ? 6.446 -1.090 11.172 1.00 92.60 18 A 1 ATOM 146 C CZ . TYR A 1 18 ? 7.779 -1.470 11.419 1.00 92.52 18 A 1 ATOM 147 O OH . TYR A 1 18 ? 8.760 -1.103 10.551 1.00 91.39 18 A 1 ATOM 148 N N . THR A 1 19 ? 3.532 -5.357 15.620 1.00 92.70 19 A 1 ATOM 149 C CA . THR A 1 19 ? 2.740 -5.995 16.684 1.00 92.85 19 A 1 ATOM 150 C C . THR A 1 19 ? 2.112 -4.969 17.629 1.00 93.56 19 A 1 ATOM 151 O O . THR A 1 19 ? 1.015 -5.185 18.140 1.00 93.04 19 A 1 ATOM 152 C CB . THR A 1 19 ? 3.595 -6.980 17.494 1.00 92.07 19 A 1 ATOM 153 O OG1 . THR A 1 19 ? 4.717 -6.318 18.032 1.00 89.32 19 A 1 ATOM 154 C CG2 . THR A 1 19 ? 4.102 -8.145 16.646 1.00 88.00 19 A 1 ATOM 155 N N . SER A 1 20 ? 2.785 -3.842 17.845 1.00 95.05 20 A 1 ATOM 156 C CA . SER A 1 20 ? 2.255 -2.699 18.596 1.00 95.48 20 A 1 ATOM 157 C C . SER A 1 20 ? 3.031 -1.412 18.298 1.00 95.76 20 A 1 ATOM 158 O O . SER A 1 20 ? 4.187 -1.451 17.875 1.00 95.72 20 A 1 ATOM 159 C CB . SER A 1 20 ? 2.296 -2.991 20.103 1.00 95.30 20 A 1 ATOM 160 O OG . SER A 1 20 ? 3.628 -3.032 20.590 1.00 94.07 20 A 1 ATOM 161 N N . LYS A 1 21 ? 2.428 -0.251 18.606 1.00 96.47 21 A 1 ATOM 162 C CA . LYS A 1 21 ? 3.117 1.052 18.542 1.00 96.99 21 A 1 ATOM 163 C C . LYS A 1 21 ? 4.355 1.101 19.440 1.00 97.10 21 A 1 ATOM 164 O O . LYS A 1 21 ? 5.372 1.665 19.049 1.00 96.94 21 A 1 ATOM 165 C CB . LYS A 1 21 ? 2.161 2.185 18.943 1.00 96.88 21 A 1 ATOM 166 C CG . LYS A 1 21 ? 1.009 2.372 17.950 1.00 94.35 21 A 1 ATOM 167 C CD . LYS A 1 21 ? 0.084 3.502 18.417 1.00 92.78 21 A 1 ATOM 168 C CE . LYS A 1 21 ? -1.117 3.606 17.476 1.00 86.59 21 A 1 ATOM 169 N NZ . LYS A 1 21 ? -2.164 4.501 18.013 1.00 79.98 21 A 1 ATOM 170 N N . LYS A 1 22 ? 4.282 0.469 20.609 1.00 97.02 22 A 1 ATOM 171 C CA . LYS A 1 22 ? 5.418 0.375 21.536 1.00 96.81 22 A 1 ATOM 172 C C . LYS A 1 22 ? 6.577 -0.411 20.918 1.00 96.59 22 A 1 ATOM 173 O O . LYS A 1 22 ? 7.710 0.055 20.949 1.00 96.03 22 A 1 ATOM 174 C CB . LYS A 1 22 ? 4.954 -0.239 22.866 1.00 96.70 22 A 1 ATOM 175 C CG . LYS A 1 22 ? 6.110 -0.304 23.875 1.00 95.00 22 A 1 ATOM 176 C CD . LYS A 1 22 ? 5.688 -0.887 25.228 1.00 92.41 22 A 1 ATOM 177 C CE . LYS A 1 22 ? 6.955 -0.947 26.092 1.00 88.06 22 A 1 ATOM 178 N NZ . LYS A 1 22 ? 6.739 -1.578 27.413 1.00 79.79 22 A 1 ATOM 179 N N . ALA A 1 23 ? 6.282 -1.562 20.317 1.00 95.85 23 A 1 ATOM 180 C CA . ALA A 1 23 ? 7.288 -2.378 19.646 1.00 94.87 23 A 1 ATOM 181 C C . ALA A 1 23 ? 7.930 -1.626 18.466 1.00 95.23 23 A 1 ATOM 182 O O . ALA A 1 23 ? 9.153 -1.612 18.346 1.00 94.62 23 A 1 ATOM 183 C CB . ALA A 1 23 ? 6.623 -3.687 19.210 1.00 93.76 23 A 1 ATOM 184 N N . PHE A 1 24 ? 7.136 -0.918 17.659 1.00 95.60 24 A 1 ATOM 185 C CA . PHE A 1 24 ? 7.651 -0.046 16.600 1.00 96.04 24 A 1 ATOM 186 C C . PHE A 1 24 ? 8.577 1.051 17.146 1.00 96.37 24 A 1 ATOM 187 O O . PHE A 1 24 ? 9.690 1.226 16.650 1.00 96.40 24 A 1 ATOM 188 C CB . PHE A 1 24 ? 6.473 0.564 15.836 1.00 96.18 24 A 1 ATOM 189 C CG . PHE A 1 24 ? 6.903 1.567 14.781 1.00 96.51 24 A 1 ATOM 190 C CD1 . PHE A 1 24 ? 6.729 2.947 14.993 1.00 96.02 24 A 1 ATOM 191 C CD2 . PHE A 1 24 ? 7.493 1.117 13.590 1.00 96.33 24 A 1 ATOM 192 C CE1 . PHE A 1 24 ? 7.120 3.865 14.002 1.00 96.06 24 A 1 ATOM 193 C CE2 . PHE A 1 24 ? 7.886 2.034 12.602 1.00 96.08 24 A 1 ATOM 194 C CZ . PHE A 1 24 ? 7.694 3.408 12.803 1.00 96.26 24 A 1 ATOM 195 N N . ALA A 1 25 ? 8.148 1.756 18.192 1.00 96.73 25 A 1 ATOM 196 C CA . ALA A 1 25 ? 8.949 2.813 18.800 1.00 97.13 25 A 1 ATOM 197 C C . ALA A 1 25 ? 10.300 2.290 19.311 1.00 96.97 25 A 1 ATOM 198 O O . ALA A 1 25 ? 11.351 2.805 18.934 1.00 96.89 25 A 1 ATOM 199 C CB . ALA A 1 25 ? 8.139 3.466 19.929 1.00 97.43 25 A 1 ATOM 200 N N . GLU A 1 26 ? 10.270 1.246 20.123 1.00 96.32 26 A 1 ATOM 201 C CA . GLU A 1 26 ? 11.449 0.773 20.854 1.00 96.11 26 A 1 ATOM 202 C C . GLU A 1 26 ? 12.387 -0.084 19.989 1.00 95.72 26 A 1 ATOM 203 O O . GLU A 1 26 ? 13.605 0.070 20.071 1.00 94.85 26 A 1 ATOM 204 C CB . GLU A 1 26 ? 10.992 -0.005 22.100 1.00 95.97 26 A 1 ATOM 205 C CG . GLU A 1 26 ? 10.296 0.901 23.136 1.00 94.93 26 A 1 ATOM 206 C CD . GLU A 1 26 ? 9.716 0.149 24.346 1.00 93.97 26 A 1 ATOM 207 O OE1 . GLU A 1 26 ? 9.182 0.824 25.254 1.00 89.95 26 A 1 ATOM 208 O OE2 . GLU A 1 26 ? 9.702 -1.101 24.371 1.00 90.86 26 A 1 ATOM 209 N N . LYS A 1 27 ? 11.838 -0.971 19.153 1.00 95.63 27 A 1 ATOM 210 C CA . LYS A 1 27 ? 12.631 -1.948 18.386 1.00 94.60 27 A 1 ATOM 211 C C . LYS A 1 27 ? 13.014 -1.452 16.997 1.00 94.53 27 A 1 ATOM 212 O O . LYS A 1 27 ? 14.136 -1.710 16.568 1.00 93.44 27 A 1 ATOM 213 C CB . LYS A 1 27 ? 11.886 -3.293 18.300 1.00 94.05 27 A 1 ATOM 214 C CG . LYS A 1 27 ? 11.552 -3.938 19.653 1.00 91.37 27 A 1 ATOM 215 C CD . LYS A 1 27 ? 12.823 -4.321 20.429 1.00 84.00 27 A 1 ATOM 216 C CE . LYS A 1 27 ? 12.461 -5.112 21.685 1.00 79.22 27 A 1 ATOM 217 N NZ . LYS A 1 27 ? 13.677 -5.600 22.377 1.00 69.19 27 A 1 ATOM 218 N N . TYR A 1 28 ? 12.119 -0.745 16.306 1.00 95.02 28 A 1 ATOM 219 C CA . TYR A 1 28 ? 12.390 -0.258 14.954 1.00 94.82 28 A 1 ATOM 220 C C . TYR A 1 28 ? 12.979 1.160 14.952 1.00 95.40 28 A 1 ATOM 221 O O . TYR A 1 28 ? 14.034 1.392 14.354 1.00 95.03 28 A 1 ATOM 222 C CB . TYR A 1 28 ? 11.117 -0.366 14.105 1.00 94.12 28 A 1 ATOM 223 C CG . TYR A 1 28 ? 11.314 0.090 12.675 1.00 93.53 28 A 1 ATOM 224 C CD1 . TYR A 1 28 ? 10.873 1.365 12.273 1.00 91.98 28 A 1 ATOM 225 C CD2 . TYR A 1 28 ? 11.962 -0.754 11.751 1.00 92.12 28 A 1 ATOM 226 C CE1 . TYR A 1 28 ? 11.065 1.790 10.944 1.00 90.99 28 A 1 ATOM 227 C CE2 . TYR A 1 28 ? 12.158 -0.331 10.425 1.00 91.09 28 A 1 ATOM 228 C CZ . TYR A 1 28 ? 11.705 0.941 10.019 1.00 90.86 28 A 1 ATOM 229 O OH . TYR A 1 28 ? 11.885 1.349 8.735 1.00 89.11 28 A 1 ATOM 230 N N . LEU A 1 29 ? 12.337 2.102 15.634 1.00 95.60 29 A 1 ATOM 231 C CA . LEU A 1 29 ? 12.805 3.493 15.670 1.00 96.37 29 A 1 ATOM 232 C C . LEU A 1 29 ? 13.931 3.743 16.678 1.00 96.71 29 A 1 ATOM 233 O O . LEU A 1 29 ? 14.689 4.694 16.500 1.00 96.45 29 A 1 ATOM 234 C CB . LEU A 1 29 ? 11.634 4.454 15.941 1.00 96.75 29 A 1 ATOM 235 C CG . LEU A 1 29 ? 10.552 4.522 14.853 1.00 96.19 29 A 1 ATOM 236 C CD1 . LEU A 1 29 ? 9.549 5.607 15.250 1.00 95.44 29 A 1 ATOM 237 C CD2 . LEU A 1 29 ? 11.126 4.885 13.481 1.00 95.47 29 A 1 ATOM 238 N N . GLY A 1 30 ? 14.045 2.932 17.731 1.00 96.82 30 A 1 ATOM 239 C CA . GLY A 1 30 ? 15.001 3.162 18.818 1.00 96.82 30 A 1 ATOM 240 C C . GLY A 1 30 ? 14.656 4.379 19.689 1.00 97.40 30 A 1 ATOM 241 O O . GLY A 1 30 ? 15.550 5.057 20.189 1.00 96.68 30 A 1 ATOM 242 N N . VAL A 1 31 ? 13.357 4.688 19.845 1.00 97.59 31 A 1 ATOM 243 C CA . VAL A 1 31 ? 12.862 5.804 20.670 1.00 97.90 31 A 1 ATOM 244 C C . VAL A 1 31 ? 11.867 5.310 21.723 1.00 98.06 31 A 1 ATOM 245 O O . VAL A 1 31 ? 11.322 4.215 21.623 1.00 97.73 31 A 1 ATOM 246 C CB . VAL A 1 31 ? 12.240 6.938 19.826 1.00 97.72 31 A 1 ATOM 247 C CG1 . VAL A 1 31 ? 13.243 7.506 18.818 1.00 97.04 31 A 1 ATOM 248 C CG2 . VAL A 1 31 ? 10.961 6.524 19.095 1.00 96.48 31 A 1 ATOM 249 N N . SER A 1 32 ? 11.590 6.130 22.724 1.00 97.99 32 A 1 ATOM 250 C CA . SER A 1 32 ? 10.561 5.786 23.710 1.00 97.99 32 A 1 ATOM 251 C C . SER A 1 32 ? 9.156 5.821 23.094 1.00 98.13 32 A 1 ATOM 252 O O . SER A 1 32 ? 8.862 6.637 22.216 1.00 97.90 32 A 1 ATOM 253 C CB . SER A 1 32 ? 10.657 6.689 24.948 1.00 97.65 32 A 1 ATOM 254 O OG . SER A 1 32 ? 10.084 7.964 24.717 1.00 95.16 32 A 1 ATOM 255 N N . ASN A 1 33 ? 8.243 4.998 23.616 1.00 97.81 33 A 1 ATOM 256 C CA . ASN A 1 33 ? 6.831 5.030 23.213 1.00 97.72 33 A 1 ATOM 257 C C . ASN A 1 33 ? 6.182 6.410 23.438 1.00 98.02 33 A 1 ATOM 258 O O . ASN A 1 33 ? 5.315 6.830 22.675 1.00 97.64 33 A 1 ATOM 259 C CB . ASN A 1 33 ? 6.088 3.934 23.991 1.00 96.68 33 A 1 ATOM 260 C CG . ASN A 1 33 ? 4.651 3.783 23.523 1.00 92.86 33 A 1 ATOM 261 O OD1 . ASN A 1 33 ? 4.362 3.682 22.349 1.00 85.40 33 A 1 ATOM 262 N ND2 . ASN A 1 33 ? 3.697 3.768 24.425 1.00 85.06 33 A 1 ATOM 263 N N . VAL A 1 34 ? 6.637 7.155 24.450 1.00 97.95 34 A 1 ATOM 264 C CA . VAL A 1 34 ? 6.194 8.533 24.717 1.00 97.96 34 A 1 ATOM 265 C C . VAL A 1 34 ? 6.619 9.471 23.584 1.00 98.16 34 A 1 ATOM 266 O O . VAL A 1 34 ? 5.808 10.266 23.118 1.00 97.82 34 A 1 ATOM 267 C CB . VAL A 1 34 ? 6.737 9.031 26.073 1.00 97.50 34 A 1 ATOM 268 C CG1 . VAL A 1 34 ? 6.342 10.487 26.350 1.00 94.62 34 A 1 ATOM 269 C CG2 . VAL A 1 34 ? 6.203 8.174 27.228 1.00 94.91 34 A 1 ATOM 270 N N . SER A 1 35 ? 7.854 9.353 23.090 1.00 98.11 35 A 1 ATOM 271 C CA . SER A 1 35 ? 8.340 10.155 21.958 1.00 98.07 35 A 1 ATOM 272 C C . SER A 1 35 ? 7.531 9.893 20.686 1.00 98.24 35 A 1 ATOM 273 O O . SER A 1 35 ? 7.140 10.844 20.010 1.00 97.93 35 A 1 ATOM 274 C CB . SER A 1 35 ? 9.820 9.873 21.676 1.00 97.67 35 A 1 ATOM 275 O OG . SER A 1 35 ? 10.622 10.190 22.799 1.00 86.56 35 A 1 ATOM 276 N N . LEU A 1 36 ? 7.231 8.624 20.387 1.00 98.33 36 A 1 ATOM 277 C CA . LEU A 1 36 ? 6.361 8.283 19.260 1.00 98.38 36 A 1 ATOM 278 C C . LEU A 1 36 ? 4.950 8.855 19.448 1.00 98.38 36 A 1 ATOM 279 O O . LEU A 1 36 ? 4.399 9.431 18.517 1.00 98.32 36 A 1 ATOM 280 C CB . LEU A 1 36 ? 6.326 6.755 19.072 1.00 98.30 36 A 1 ATOM 281 C CG . LEU A 1 36 ? 5.381 6.303 17.937 1.00 98.00 36 A 1 ATOM 282 C CD1 . LEU A 1 36 ? 5.825 6.804 16.564 1.00 97.35 36 A 1 ATOM 283 C CD2 . LEU A 1 36 ? 5.309 4.779 17.890 1.00 97.38 36 A 1 ATOM 284 N N . SER A 1 37 ? 4.375 8.733 20.640 1.00 98.16 37 A 1 ATOM 285 C CA . SER A 1 37 ? 3.023 9.233 20.929 1.00 98.02 37 A 1 ATOM 286 C C . SER A 1 37 ? 2.924 10.748 20.719 1.00 98.08 37 A 1 ATOM 287 O O . SER A 1 37 ? 2.002 11.206 20.052 1.00 97.85 37 A 1 ATOM 288 C CB . SER A 1 37 ? 2.600 8.867 22.354 1.00 97.64 37 A 1 ATOM 289 O OG . SER A 1 37 ? 2.607 7.461 22.525 1.00 84.32 37 A 1 ATOM 290 N N . ARG A 1 38 ? 3.918 11.513 21.188 1.00 98.25 38 A 1 ATOM 291 C CA . ARG A 1 38 ? 4.004 12.968 20.957 1.00 98.13 38 A 1 ATOM 292 C C . ARG A 1 38 ? 4.156 13.326 19.477 1.00 98.08 38 A 1 ATOM 293 O O . ARG A 1 38 ? 3.595 14.315 19.020 1.00 97.72 38 A 1 ATOM 294 C CB . ARG A 1 38 ? 5.186 13.547 21.738 1.00 98.04 38 A 1 ATOM 295 C CG . ARG A 1 38 ? 4.922 13.575 23.246 1.00 96.30 38 A 1 ATOM 296 C CD . ARG A 1 38 ? 6.150 14.156 23.948 1.00 94.18 38 A 1 ATOM 297 N NE . ARG A 1 38 ? 5.953 14.217 25.407 1.00 87.14 38 A 1 ATOM 298 C CZ . ARG A 1 38 ? 6.872 14.529 26.300 1.00 80.84 38 A 1 ATOM 299 N NH1 . ARG A 1 38 ? 8.099 14.820 25.955 1.00 74.71 38 A 1 ATOM 300 N NH2 . ARG A 1 38 ? 6.568 14.555 27.569 1.00 72.12 38 A 1 ATOM 301 N N . TYR A 1 39 ? 4.893 12.520 18.723 1.00 98.22 39 A 1 ATOM 302 C CA . TYR A 1 39 ? 4.977 12.707 17.275 1.00 98.20 39 A 1 ATOM 303 C C . TYR A 1 39 ? 3.621 12.457 16.597 1.00 98.22 39 A 1 ATOM 304 O O . TYR A 1 39 ? 3.171 13.284 15.804 1.00 98.07 39 A 1 ATOM 305 C CB . TYR A 1 39 ? 6.072 11.802 16.695 1.00 98.17 39 A 1 ATOM 306 C CG . TYR A 1 39 ? 6.015 11.705 15.181 1.00 98.17 39 A 1 ATOM 307 C CD1 . TYR A 1 39 ? 5.518 10.533 14.567 1.00 97.68 39 A 1 ATOM 308 C CD2 . TYR A 1 39 ? 6.388 12.809 14.389 1.00 97.81 39 A 1 ATOM 309 C CE1 . TYR A 1 39 ? 5.411 10.463 13.165 1.00 97.43 39 A 1 ATOM 310 C CE2 . TYR A 1 39 ? 6.279 12.742 12.986 1.00 97.44 39 A 1 ATOM 311 C CZ . TYR A 1 39 ? 5.791 11.567 12.373 1.00 97.46 39 A 1 ATOM 312 O OH . TYR A 1 39 ? 5.688 11.501 11.021 1.00 96.47 39 A 1 ATOM 313 N N . LEU A 1 40 ? 2.950 11.356 16.929 1.00 98.16 40 A 1 ATOM 314 C CA . LEU A 1 40 ? 1.658 10.990 16.337 1.00 97.93 40 A 1 ATOM 315 C C . LEU A 1 40 ? 0.534 11.975 16.702 1.00 97.74 40 A 1 ATOM 316 O O . LEU A 1 40 ? -0.372 12.180 15.893 1.00 97.57 40 A 1 ATOM 317 C CB . LEU A 1 40 ? 1.287 9.554 16.752 1.00 97.97 40 A 1 ATOM 318 C CG . LEU A 1 40 ? 2.188 8.443 16.175 1.00 97.77 40 A 1 ATOM 319 C CD1 . LEU A 1 40 ? 1.737 7.085 16.726 1.00 97.35 40 A 1 ATOM 320 C CD2 . LEU A 1 40 ? 2.152 8.368 14.648 1.00 97.43 40 A 1 ATOM 321 N N . SER A 1 41 ? 0.604 12.617 17.874 1.00 97.81 41 A 1 ATOM 322 C CA . SER A 1 41 ? -0.325 13.696 18.267 1.00 97.57 41 A 1 ATOM 323 C C . SER A 1 41 ? 0.042 15.063 17.676 1.00 97.26 41 A 1 ATOM 324 O O . SER A 1 41 ? -0.739 16.008 17.771 1.00 95.71 41 A 1 ATOM 325 C CB . SER A 1 41 ? -0.434 13.784 19.796 1.00 97.14 41 A 1 ATOM 326 O OG . SER A 1 41 ? 0.803 14.149 20.365 1.00 93.99 41 A 1 ATOM 327 N N . GLY A 1 42 ? 1.217 15.186 17.042 1.00 97.11 42 A 1 ATOM 328 C CA . GLY A 1 42 ? 1.717 16.448 16.492 1.00 96.60 42 A 1 ATOM 329 C C . GLY A 1 42 ? 2.270 17.420 17.538 1.00 96.66 42 A 1 ATOM 330 O O . GLY A 1 42 ? 2.495 18.588 17.217 1.00 95.15 42 A 1 ATOM 331 N N . GLU A 1 43 ? 2.496 16.965 18.771 1.00 95.72 43 A 1 ATOM 332 C CA . GLU A 1 43 ? 3.070 17.778 19.857 1.00 95.31 43 A 1 ATOM 333 C C . GLU A 1 43 ? 4.570 18.028 19.671 1.00 94.78 43 A 1 ATOM 334 O O . GLU A 1 43 ? 5.093 19.059 20.089 1.00 92.22 43 A 1 ATOM 335 C CB . GLU A 1 43 ? 2.884 17.056 21.195 1.00 94.41 43 A 1 ATOM 336 C CG . GLU A 1 43 ? 1.445 17.066 21.725 1.00 86.70 43 A 1 ATOM 337 C CD . GLU A 1 43 ? 1.284 16.058 22.869 1.00 84.14 43 A 1 ATOM 338 O OE1 . GLU A 1 43 ? 0.277 15.320 22.832 1.00 75.99 43 A 1 ATOM 339 O OE2 . GLU A 1 43 ? 2.212 15.949 23.707 1.00 78.83 43 A 1 ATOM 340 N N . GLN A 1 44 ? 5.281 17.071 19.069 1.00 95.08 44 A 1 ATOM 341 C CA . GLN A 1 44 ? 6.725 17.139 18.899 1.00 94.82 44 A 1 ATOM 342 C C . GLN A 1 44 ? 7.171 16.415 17.623 1.00 95.20 44 A 1 ATOM 343 O O . GLN A 1 44 ? 6.683 15.339 17.294 1.00 92.62 44 A 1 ATOM 344 C CB . GLN A 1 44 ? 7.396 16.562 20.161 1.00 92.22 44 A 1 ATOM 345 C CG . GLN A 1 44 ? 8.909 16.806 20.175 1.00 80.90 44 A 1 ATOM 346 C CD . GLN A 1 44 ? 9.614 16.316 21.440 1.00 76.75 44 A 1 ATOM 347 O OE1 . GLN A 1 44 ? 9.041 15.825 22.398 1.00 71.20 44 A 1 ATOM 348 N NE2 . GLN A 1 44 ? 10.924 16.438 21.487 1.00 67.27 44 A 1 ATOM 349 N N . GLY A 1 45 ? 8.164 16.986 16.926 1.00 94.82 45 A 1 ATOM 350 C CA . GLY A 1 45 ? 8.853 16.309 15.824 1.00 94.98 45 A 1 ATOM 351 C C . GLY A 1 45 ? 9.830 15.234 16.315 1.00 96.02 45 A 1 ATOM 352 O O . GLY A 1 45 ? 10.272 15.238 17.464 1.00 94.90 45 A 1 ATOM 353 N N . LEU A 1 46 ? 10.204 14.320 15.418 1.00 96.17 46 A 1 ATOM 354 C CA . LEU A 1 46 ? 11.285 13.358 15.638 1.00 96.79 46 A 1 ATOM 355 C C . LEU A 1 46 ? 12.615 13.919 15.112 1.00 97.12 46 A 1 ATOM 356 O O . LEU A 1 46 ? 12.645 14.786 14.238 1.00 96.75 46 A 1 ATOM 357 C CB . LEU A 1 46 ? 10.924 12.014 14.987 1.00 96.86 46 A 1 ATOM 358 C CG . LEU A 1 46 ? 9.687 11.321 15.591 1.00 96.67 46 A 1 ATOM 359 C CD1 . LEU A 1 46 ? 9.317 10.091 14.763 1.00 95.36 46 A 1 ATOM 360 C CD2 . LEU A 1 46 ? 9.933 10.870 17.035 1.00 95.40 46 A 1 ATOM 361 N N . LYS A 1 47 ? 13.732 13.397 15.623 1.00 97.26 47 A 1 ATOM 362 C CA . LYS A 1 47 ? 15.063 13.706 15.078 1.00 97.32 47 A 1 ATOM 363 C C . LYS A 1 47 ? 15.152 13.257 13.615 1.00 97.72 47 A 1 ATOM 364 O O . LYS A 1 47 ? 14.511 12.280 13.241 1.00 97.29 47 A 1 ATOM 365 C CB . LYS A 1 47 ? 16.166 13.034 15.910 1.00 96.50 47 A 1 ATOM 366 C CG . LYS A 1 47 ? 16.264 13.578 17.345 1.00 90.68 47 A 1 ATOM 367 C CD . LYS A 1 47 ? 17.431 12.902 18.082 1.00 86.24 47 A 1 ATOM 368 C CE . LYS A 1 47 ? 17.562 13.429 19.513 1.00 78.83 47 A 1 ATOM 369 N NZ . LYS A 1 47 ? 18.702 12.789 20.224 1.00 67.98 47 A 1 ATOM 370 N N . ALA A 1 48 ? 15.993 13.917 12.820 1.00 97.27 48 A 1 ATOM 371 C CA . ALA A 1 48 ? 16.141 13.631 11.388 1.00 97.42 48 A 1 ATOM 372 C C . ALA A 1 48 ? 16.424 12.147 11.089 1.00 97.53 48 A 1 ATOM 373 O O . ALA A 1 48 ? 15.755 11.554 10.252 1.00 97.02 48 A 1 ATOM 374 C CB . ALA A 1 48 ? 17.248 14.535 10.827 1.00 97.00 48 A 1 ATOM 375 N N . GLU A 1 49 ? 17.337 11.511 11.829 1.00 97.21 49 A 1 ATOM 376 C CA . GLU A 1 49 ? 17.626 10.078 11.671 1.00 96.80 49 A 1 ATOM 377 C C . GLU A 1 49 ? 16.392 9.198 11.930 1.00 97.06 49 A 1 ATOM 378 O O . GLU A 1 49 ? 16.111 8.266 11.177 1.00 96.22 49 A 1 ATOM 379 C CB . GLU A 1 49 ? 18.758 9.694 12.636 1.00 95.80 49 A 1 ATOM 380 C CG . GLU A 1 49 ? 19.291 8.278 12.361 1.00 81.51 49 A 1 ATOM 381 C CD . GLU A 1 49 ? 20.208 7.755 13.472 1.00 73.09 49 A 1 ATOM 382 O OE1 . GLU A 1 49 ? 20.301 6.504 13.564 1.00 65.39 49 A 1 ATOM 383 O OE2 . GLU A 1 49 ? 20.731 8.587 14.246 1.00 65.69 49 A 1 ATOM 384 N N . THR A 1 50 ? 15.625 9.504 12.969 1.00 97.57 50 A 1 ATOM 385 C CA . THR A 1 50 ? 14.383 8.783 13.281 1.00 97.82 50 A 1 ATOM 386 C C . THR A 1 50 ? 13.321 9.032 12.212 1.00 97.89 50 A 1 ATOM 387 O O . THR A 1 50 ? 12.618 8.100 11.831 1.00 97.54 50 A 1 ATOM 388 C CB . THR A 1 50 ? 13.840 9.201 14.652 1.00 97.62 50 A 1 ATOM 389 O OG1 . THR A 1 50 ? 14.844 9.152 15.635 1.00 95.80 50 A 1 ATOM 390 C CG2 . THR A 1 50 ? 12.715 8.283 15.126 1.00 95.87 50 A 1 ATOM 391 N N . MET A 1 51 ? 13.219 10.264 11.693 1.00 97.85 51 A 1 ATOM 392 C CA . MET A 1 51 ? 12.318 10.580 10.585 1.00 97.66 51 A 1 ATOM 393 C C . MET A 1 51 ? 12.679 9.815 9.315 1.00 97.62 51 A 1 ATOM 394 O O . MET A 1 51 ? 11.775 9.297 8.676 1.00 97.28 51 A 1 ATOM 395 C CB . MET A 1 51 ? 12.287 12.088 10.301 1.00 97.05 51 A 1 ATOM 396 C CG . MET A 1 51 ? 11.422 12.850 11.309 1.00 90.02 51 A 1 ATOM 397 S SD . MET A 1 51 ? 9.702 12.278 11.495 1.00 89.81 51 A 1 ATOM 398 C CE . MET A 1 51 ? 9.124 12.272 9.780 1.00 80.38 51 A 1 ATOM 399 N N . ASN A 1 52 ? 13.963 9.648 8.998 1.00 97.90 52 A 1 ATOM 400 C CA . ASN A 1 52 ? 14.382 8.828 7.858 1.00 97.58 52 A 1 ATOM 401 C C . ASN A 1 52 ? 13.891 7.375 7.993 1.00 97.37 52 A 1 ATOM 402 O O . ASN A 1 52 ? 13.459 6.775 7.014 1.00 96.80 52 A 1 ATOM 403 C CB . ASN A 1 52 ? 15.914 8.864 7.730 1.00 97.37 52 A 1 ATOM 404 C CG . ASN A 1 52 ? 16.475 10.222 7.345 1.00 94.25 52 A 1 ATOM 405 O OD1 . ASN A 1 52 ? 15.789 11.140 6.938 1.00 87.96 52 A 1 ATOM 406 N ND2 . ASN A 1 52 ? 17.773 10.390 7.453 1.00 87.57 52 A 1 ATOM 407 N N . ARG A 1 53 ? 13.887 6.809 9.207 1.00 97.12 53 A 1 ATOM 408 C CA . ARG A 1 53 ? 13.323 5.468 9.460 1.00 96.91 53 A 1 ATOM 409 C C . ARG A 1 53 ? 11.800 5.444 9.322 1.00 96.85 53 A 1 ATOM 410 O O . ARG A 1 53 ? 11.257 4.464 8.826 1.00 96.10 53 A 1 ATOM 411 C CB . ARG A 1 53 ? 13.732 4.952 10.843 1.00 96.52 53 A 1 ATOM 412 C CG . ARG A 1 53 ? 15.246 4.753 10.992 1.00 93.61 53 A 1 ATOM 413 C CD . ARG A 1 53 ? 15.547 4.166 12.376 1.00 90.22 53 A 1 ATOM 414 N NE . ARG A 1 53 ? 16.992 4.173 12.668 1.00 81.20 53 A 1 ATOM 415 C CZ . ARG A 1 53 ? 17.588 3.557 13.669 1.00 73.93 53 A 1 ATOM 416 N NH1 . ARG A 1 53 ? 16.936 2.775 14.484 1.00 67.43 53 A 1 ATOM 417 N NH2 . ARG A 1 53 ? 18.863 3.733 13.873 1.00 65.18 53 A 1 ATOM 418 N N . VAL A 1 54 ? 11.113 6.509 9.735 1.00 97.63 54 A 1 ATOM 419 C CA . VAL A 1 54 ? 9.665 6.653 9.506 1.00 97.77 54 A 1 ATOM 420 C C . VAL A 1 54 ? 9.363 6.749 8.010 1.00 97.49 54 A 1 ATOM 421 O O . VAL A 1 54 ? 8.461 6.072 7.528 1.00 97.10 54 A 1 ATOM 422 C CB . VAL A 1 54 ? 9.098 7.871 10.262 1.00 97.81 54 A 1 ATOM 423 C CG1 . VAL A 1 54 ? 7.645 8.180 9.891 1.00 97.24 54 A 1 ATOM 424 C CG2 . VAL A 1 54 ? 9.134 7.641 11.777 1.00 97.17 54 A 1 ATOM 425 N N . GLU A 1 55 ? 10.118 7.545 7.265 1.00 97.53 55 A 1 ATOM 426 C CA . GLU A 1 55 ? 9.948 7.692 5.817 1.00 97.35 55 A 1 ATOM 427 C C . GLU A 1 55 ? 10.272 6.389 5.066 1.00 96.95 55 A 1 ATOM 428 O O . GLU A 1 55 ? 9.604 6.072 4.086 1.00 96.42 55 A 1 ATOM 429 C CB . GLU A 1 55 ? 10.773 8.888 5.305 1.00 97.35 55 A 1 ATOM 430 C CG . GLU A 1 55 ? 10.177 10.234 5.777 1.00 96.35 55 A 1 ATOM 431 C CD . GLU A 1 55 ? 10.851 11.492 5.199 1.00 95.25 55 A 1 ATOM 432 O OE1 . GLU A 1 55 ? 10.202 12.582 5.267 1.00 90.50 55 A 1 ATOM 433 O OE2 . GLU A 1 55 ? 11.983 11.397 4.680 1.00 91.03 55 A 1 ATOM 434 N N . ALA A 1 56 ? 11.188 5.566 5.576 1.00 96.63 56 A 1 ATOM 435 C CA . ALA A 1 56 ? 11.501 4.246 5.021 1.00 95.72 56 A 1 ATOM 436 C C . ALA A 1 56 ? 10.354 3.216 5.122 1.00 95.43 56 A 1 ATOM 437 O O . ALA A 1 56 ? 10.468 2.132 4.552 1.00 94.36 56 A 1 ATOM 438 C CB . ALA A 1 56 ? 12.786 3.732 5.685 1.00 94.90 56 A 1 ATOM 439 N N . LEU A 1 57 ? 9.249 3.532 5.805 1.00 95.91 57 A 1 ATOM 440 C CA . LEU A 1 57 ? 8.013 2.740 5.752 1.00 95.63 57 A 1 ATOM 441 C C . LEU A 1 57 ? 7.318 2.817 4.386 1.00 95.80 57 A 1 ATOM 442 O O . LEU A 1 57 ? 6.467 1.981 4.093 1.00 95.33 57 A 1 ATOM 443 C CB . LEU A 1 57 ? 7.032 3.231 6.832 1.00 95.52 57 A 1 ATOM 444 C CG . LEU A 1 57 ? 7.514 3.105 8.284 1.00 94.87 57 A 1 ATOM 445 C CD1 . LEU A 1 57 ? 6.457 3.711 9.209 1.00 93.99 57 A 1 ATOM 446 C CD2 . LEU A 1 57 ? 7.739 1.650 8.692 1.00 93.65 57 A 1 ATOM 447 N N . PHE A 1 58 ? 7.654 3.814 3.588 1.00 96.43 58 A 1 ATOM 448 C CA . PHE A 1 58 ? 7.008 4.127 2.321 1.00 96.91 58 A 1 ATOM 449 C C . PHE A 1 58 ? 8.004 4.049 1.169 1.00 96.67 58 A 1 ATOM 450 O O . PHE A 1 58 ? 9.209 4.249 1.329 1.00 95.89 58 A 1 ATOM 451 C CB . PHE A 1 58 ? 6.383 5.524 2.404 1.00 97.34 58 A 1 ATOM 452 C CG . PHE A 1 58 ? 5.452 5.717 3.584 1.00 97.76 58 A 1 ATOM 453 C CD1 . PHE A 1 58 ? 4.134 5.231 3.526 1.00 97.32 58 A 1 ATOM 454 C CD2 . PHE A 1 58 ? 5.920 6.337 4.758 1.00 97.47 58 A 1 ATOM 455 C CE1 . PHE A 1 58 ? 3.288 5.362 4.639 1.00 97.32 58 A 1 ATOM 456 C CE2 . PHE A 1 58 ? 5.072 6.466 5.872 1.00 97.35 58 A 1 ATOM 457 C CZ . PHE A 1 58 ? 3.755 5.974 5.815 1.00 97.57 58 A 1 ATOM 458 N N . THR A 1 59 ? 7.493 3.810 -0.023 1.00 96.58 59 A 1 ATOM 459 C CA . THR A 1 59 ? 8.285 4.021 -1.237 1.00 96.75 59 A 1 ATOM 460 C C . THR A 1 59 ? 8.518 5.521 -1.466 1.00 97.07 59 A 1 ATOM 461 O O . THR A 1 59 ? 7.775 6.371 -0.971 1.00 97.01 59 A 1 ATOM 462 C CB . THR A 1 59 ? 7.625 3.383 -2.463 1.00 96.61 59 A 1 ATOM 463 O OG1 . THR A 1 59 ? 6.462 4.082 -2.815 1.00 95.25 59 A 1 ATOM 464 C CG2 . THR A 1 59 ? 7.262 1.913 -2.236 1.00 94.40 59 A 1 ATOM 465 N N . HIS A 1 60 ? 9.526 5.869 -2.269 1.00 96.41 60 A 1 ATOM 466 C CA . HIS A 1 60 ? 9.786 7.275 -2.614 1.00 96.19 60 A 1 ATOM 467 C C . HIS A 1 60 ? 8.564 7.952 -3.245 1.00 96.94 60 A 1 ATOM 468 O O . HIS A 1 60 ? 8.243 9.097 -2.926 1.00 96.62 60 A 1 ATOM 469 C CB . HIS A 1 60 ? 10.980 7.355 -3.575 1.00 94.52 60 A 1 ATOM 470 C CG . HIS A 1 60 ? 12.280 6.902 -2.962 1.00 84.39 60 A 1 ATOM 471 N ND1 . HIS A 1 60 ? 12.977 5.763 -3.280 1.00 70.51 60 A 1 ATOM 472 C CD2 . HIS A 1 60 ? 12.996 7.546 -1.988 1.00 69.86 60 A 1 ATOM 473 C CE1 . HIS A 1 60 ? 14.085 5.721 -2.517 1.00 64.13 60 A 1 ATOM 474 N NE2 . HIS A 1 60 ? 14.138 6.791 -1.717 1.00 67.57 60 A 1 ATOM 475 N N . TYR A 1 61 ? 7.837 7.225 -4.104 1.00 96.15 61 A 1 ATOM 476 C CA . TYR A 1 61 ? 6.649 7.774 -4.751 1.00 96.87 61 A 1 ATOM 477 C C . TYR A 1 61 ? 5.481 7.953 -3.771 1.00 97.30 61 A 1 ATOM 478 O O . TYR A 1 61 ? 4.794 8.974 -3.800 1.00 97.07 61 A 1 ATOM 479 C CB . TYR A 1 61 ? 6.264 6.892 -5.934 1.00 96.69 61 A 1 ATOM 480 C CG . TYR A 1 61 ? 5.324 7.614 -6.870 1.00 96.22 61 A 1 ATOM 481 C CD1 . TYR A 1 61 ? 3.934 7.537 -6.685 1.00 94.44 61 A 1 ATOM 482 C CD2 . TYR A 1 61 ? 5.851 8.408 -7.911 1.00 94.48 61 A 1 ATOM 483 C CE1 . TYR A 1 61 ? 3.071 8.234 -7.548 1.00 92.75 61 A 1 ATOM 484 C CE2 . TYR A 1 61 ? 4.990 9.102 -8.774 1.00 92.70 61 A 1 ATOM 485 C CZ . TYR A 1 61 ? 3.597 9.012 -8.598 1.00 92.91 61 A 1 ATOM 486 O OH . TYR A 1 61 ? 2.759 9.673 -9.443 1.00 91.46 61 A 1 ATOM 487 N N . GLU A 1 62 ? 5.282 7.020 -2.847 1.00 97.62 62 A 1 ATOM 488 C CA . GLU A 1 62 ? 4.286 7.160 -1.776 1.00 97.91 62 A 1 ATOM 489 C C . GLU A 1 62 ? 4.592 8.361 -0.872 1.00 98.12 62 A 1 ATOM 490 O O . GLU A 1 62 ? 3.682 9.126 -0.538 1.00 97.91 62 A 1 ATOM 491 C CB . GLU A 1 62 ? 4.235 5.869 -0.956 1.00 97.73 62 A 1 ATOM 492 C CG . GLU A 1 62 ? 3.514 4.746 -1.719 1.00 96.68 62 A 1 ATOM 493 C CD . GLU A 1 62 ? 3.690 3.373 -1.065 1.00 96.66 62 A 1 ATOM 494 O OE1 . GLU A 1 62 ? 2.774 2.532 -1.221 1.00 92.51 62 A 1 ATOM 495 O OE2 . GLU A 1 62 ? 4.754 3.127 -0.465 1.00 93.62 62 A 1 ATOM 496 N N . LEU A 1 63 ? 5.864 8.605 -0.543 1.00 98.06 63 A 1 ATOM 497 C CA . LEU A 1 63 ? 6.266 9.830 0.154 1.00 98.08 63 A 1 ATOM 498 C C . LEU A 1 63 ? 5.920 11.082 -0.656 1.00 98.09 63 A 1 ATOM 499 O O . LEU A 1 63 ? 5.404 12.047 -0.089 1.00 97.74 63 A 1 ATOM 500 C CB . LEU A 1 63 ? 7.769 9.803 0.470 1.00 97.77 63 A 1 ATOM 501 C CG . LEU A 1 63 ? 8.167 8.823 1.585 1.00 95.73 63 A 1 ATOM 502 C CD1 . LEU A 1 63 ? 9.692 8.791 1.684 1.00 94.27 63 A 1 ATOM 503 C CD2 . LEU A 1 63 ? 7.596 9.248 2.939 1.00 94.58 63 A 1 ATOM 504 N N . CYS A 1 64 ? 6.135 11.079 -1.977 1.00 97.91 64 A 1 ATOM 505 C CA . CYS A 1 64 ? 5.718 12.181 -2.842 1.00 97.65 64 A 1 ATOM 506 C C . CYS A 1 64 ? 4.201 12.428 -2.789 1.00 97.92 64 A 1 ATOM 507 O O . CYS A 1 64 ? 3.781 13.586 -2.750 1.00 97.49 64 A 1 ATOM 508 C CB . CYS A 1 64 ? 6.170 11.917 -4.286 1.00 96.73 64 A 1 ATOM 509 S SG . CYS A 1 64 ? 7.969 12.114 -4.413 1.00 85.90 64 A 1 ATOM 510 N N . ILE A 1 65 ? 3.376 11.374 -2.744 1.00 97.76 65 A 1 ATOM 511 C CA . ILE A 1 65 ? 1.919 11.500 -2.572 1.00 97.93 65 A 1 ATOM 512 C C . ILE A 1 65 ? 1.603 12.172 -1.232 1.00 97.92 65 A 1 ATOM 513 O O . ILE A 1 65 ? 0.887 13.173 -1.213 1.00 97.79 65 A 1 ATOM 514 C CB . ILE A 1 65 ? 1.201 10.135 -2.710 1.00 98.02 65 A 1 ATOM 515 C CG1 . ILE A 1 65 ? 1.382 9.550 -4.129 1.00 97.63 65 A 1 ATOM 516 C CG2 . ILE A 1 65 ? -0.304 10.283 -2.404 1.00 97.68 65 A 1 ATOM 517 C CD1 . ILE A 1 65 ? 0.949 8.086 -4.249 1.00 96.73 65 A 1 ATOM 518 N N . ILE A 1 66 ? 2.193 11.708 -0.131 1.00 98.17 66 A 1 ATOM 519 C CA . ILE A 1 66 ? 1.981 12.290 1.205 1.00 98.17 66 A 1 ATOM 520 C C . ILE A 1 66 ? 2.374 13.778 1.222 1.00 97.98 66 A 1 ATOM 521 O O . ILE A 1 66 ? 1.621 14.617 1.723 1.00 97.73 66 A 1 ATOM 522 C CB . ILE A 1 66 ? 2.753 11.489 2.280 1.00 98.26 66 A 1 ATOM 523 C CG1 . ILE A 1 66 ? 2.208 10.046 2.397 1.00 97.94 66 A 1 ATOM 524 C CG2 . ILE A 1 66 ? 2.664 12.186 3.655 1.00 97.98 66 A 1 ATOM 525 C CD1 . ILE A 1 66 ? 3.105 9.102 3.203 1.00 97.28 66 A 1 ATOM 526 N N . LYS A 1 67 ? 3.523 14.144 0.637 1.00 97.71 67 A 1 ATOM 527 C CA . LYS A 1 67 ? 3.951 15.550 0.554 1.00 97.36 67 A 1 ATOM 528 C C . LYS A 1 67 ? 2.987 16.394 -0.288 1.00 97.47 67 A 1 ATOM 529 O O . LYS A 1 67 ? 2.661 17.511 0.113 1.00 97.23 67 A 1 ATOM 530 C CB . LYS A 1 67 ? 5.389 15.665 0.019 1.00 96.89 67 A 1 ATOM 531 C CG . LYS A 1 67 ? 6.483 15.024 0.901 1.00 87.97 67 A 1 ATOM 532 C CD . LYS A 1 67 ? 6.717 15.626 2.288 1.00 79.06 67 A 1 ATOM 533 C CE . LYS A 1 67 ? 7.866 14.813 2.932 1.00 70.87 67 A 1 ATOM 534 N NZ . LYS A 1 67 ? 8.227 15.187 4.315 1.00 62.06 67 A 1 ATOM 535 N N . LYS A 1 68 ? 2.472 15.870 -1.399 1.00 97.19 68 A 1 ATOM 536 C CA . LYS A 1 68 ? 1.449 16.553 -2.208 1.00 96.99 68 A 1 ATOM 537 C C . LYS A 1 68 ? 0.151 16.755 -1.426 1.00 97.11 68 A 1 ATOM 538 O O . LYS A 1 68 ? -0.394 17.855 -1.451 1.00 96.90 68 A 1 ATOM 539 C CB . LYS A 1 68 ? 1.186 15.779 -3.511 1.00 96.87 68 A 1 ATOM 540 C CG . LYS A 1 68 ? 2.323 15.937 -4.532 1.00 93.81 68 A 1 ATOM 541 C CD . LYS A 1 68 ? 2.080 15.028 -5.746 1.00 90.31 68 A 1 ATOM 542 C CE . LYS A 1 68 ? 3.221 15.164 -6.761 1.00 85.44 68 A 1 ATOM 543 N NZ . LYS A 1 68 ? 3.031 14.277 -7.940 1.00 76.66 68 A 1 ATOM 544 N N . MET A 1 69 ? -0.310 15.742 -0.687 1.00 97.33 69 A 1 ATOM 545 C CA . MET A 1 69 ? -1.488 15.862 0.181 1.00 97.49 69 A 1 ATOM 546 C C . MET A 1 69 ? -1.295 16.939 1.255 1.00 97.34 69 A 1 ATOM 547 O O . MET A 1 69 ? -2.184 17.762 1.469 1.00 96.78 69 A 1 ATOM 548 C CB . MET A 1 69 ? -1.791 14.527 0.870 1.00 97.72 69 A 1 ATOM 549 C CG . MET A 1 69 ? -2.305 13.444 -0.081 1.00 97.25 69 A 1 ATOM 550 S SD . MET A 1 69 ? -2.490 11.834 0.726 1.00 97.01 69 A 1 ATOM 551 C CE . MET A 1 69 ? -3.893 12.164 1.825 1.00 94.63 69 A 1 ATOM 552 N N . LEU A 1 70 ? -0.126 16.979 1.899 1.00 97.24 70 A 1 ATOM 553 C CA . LEU A 1 70 ? 0.204 18.008 2.891 1.00 96.74 70 A 1 ATOM 554 C C . LEU A 1 70 ? 0.110 19.419 2.298 1.00 96.54 70 A 1 ATOM 555 O O . LEU A 1 70 ? -0.536 20.281 2.891 1.00 95.81 70 A 1 ATOM 556 C CB . LEU A 1 70 ? 1.612 17.755 3.464 1.00 96.45 70 A 1 ATOM 557 C CG . LEU A 1 70 ? 1.683 16.590 4.465 1.00 93.68 70 A 1 ATOM 558 C CD1 . LEU A 1 70 ? 3.138 16.194 4.705 1.00 90.61 70 A 1 ATOM 559 C CD2 . LEU A 1 70 ? 1.082 16.978 5.815 1.00 91.21 70 A 1 ATOM 560 N N . LEU A 1 71 ? 0.696 19.638 1.121 1.00 96.20 71 A 1 ATOM 561 C CA . LEU A 1 71 ? 0.676 20.935 0.438 1.00 95.66 71 A 1 ATOM 562 C C . LEU A 1 71 ? -0.735 21.335 -0.018 1.00 95.35 71 A 1 ATOM 563 O O . LEU A 1 71 ? -1.121 22.492 0.121 1.00 94.60 71 A 1 ATOM 564 C CB . LEU A 1 71 ? 1.640 20.887 -0.761 1.00 95.49 71 A 1 ATOM 565 C CG . LEU A 1 71 ? 3.132 20.779 -0.389 1.00 92.86 71 A 1 ATOM 566 C CD1 . LEU A 1 71 ? 3.960 20.549 -1.652 1.00 89.82 71 A 1 ATOM 567 C CD2 . LEU A 1 71 ? 3.652 22.034 0.311 1.00 89.77 71 A 1 ATOM 568 N N . ALA A 1 72 ? -1.519 20.380 -0.521 1.00 96.13 72 A 1 ATOM 569 C CA . ALA A 1 72 ? -2.870 20.641 -1.020 1.00 95.91 72 A 1 ATOM 570 C C . ALA A 1 72 ? -3.940 20.716 0.084 1.00 95.88 72 A 1 ATOM 571 O O . ALA A 1 72 ? -5.046 21.189 -0.159 1.00 94.71 72 A 1 ATOM 572 C CB . ALA A 1 72 ? -3.202 19.571 -2.061 1.00 95.49 72 A 1 ATOM 573 N N . SER A 1 73 ? -3.625 20.298 1.310 1.00 96.08 73 A 1 ATOM 574 C CA . SER A 1 73 ? -4.602 20.143 2.402 1.00 95.47 73 A 1 ATOM 575 C C . SER A 1 73 ? -5.343 21.420 2.822 1.00 95.04 73 A 1 ATOM 576 O O . SER A 1 73 ? -6.399 21.344 3.455 1.00 93.94 73 A 1 ATOM 577 C CB . SER A 1 73 ? -3.911 19.551 3.631 1.00 95.11 73 A 1 ATOM 578 O OG . SER A 1 73 ? -2.984 20.456 4.200 1.00 91.63 73 A 1 ATOM 579 N N . MET A 1 74 ? -4.816 22.606 2.480 1.00 93.93 74 A 1 ATOM 580 C CA . MET A 1 74 ? -5.511 23.878 2.706 1.00 92.50 74 A 1 ATOM 581 C C . MET A 1 74 ? -6.759 24.014 1.834 1.00 93.44 74 A 1 ATOM 582 O O . MET A 1 74 ? -7.753 24.579 2.285 1.00 90.97 74 A 1 ATOM 583 C CB . MET A 1 74 ? -4.563 25.055 2.445 1.00 90.78 74 A 1 ATOM 584 C CG . MET A 1 74 ? -3.488 25.174 3.530 1.00 78.96 74 A 1 ATOM 585 S SD . MET A 1 74 ? -2.430 26.644 3.417 1.00 71.38 74 A 1 ATOM 586 C CE . MET A 1 74 ? -3.637 27.972 3.660 1.00 61.35 74 A 1 ATOM 587 N N . HIS A 1 75 ? -6.708 23.468 0.620 1.00 94.29 75 A 1 ATOM 588 C CA . HIS A 1 75 ? -7.775 23.550 -0.380 1.00 93.97 75 A 1 ATOM 589 C C . HIS A 1 75 ? -8.583 22.253 -0.508 1.00 94.23 75 A 1 ATOM 590 O O . HIS A 1 75 ? -9.645 22.264 -1.116 1.00 92.13 75 A 1 ATOM 591 C CB . HIS A 1 75 ? -7.147 23.959 -1.719 1.00 92.95 75 A 1 ATOM 592 C CG . HIS A 1 75 ? -6.370 25.252 -1.626 1.00 89.26 75 A 1 ATOM 593 N ND1 . HIS A 1 75 ? -6.891 26.486 -1.310 1.00 78.90 75 A 1 ATOM 594 C CD2 . HIS A 1 75 ? -5.021 25.412 -1.781 1.00 78.93 75 A 1 ATOM 595 C CE1 . HIS A 1 75 ? -5.884 27.373 -1.282 1.00 79.10 75 A 1 ATOM 596 N NE2 . HIS A 1 75 ? -4.720 26.762 -1.562 1.00 80.62 75 A 1 ATOM 597 N N . THR A 1 76 ? -8.092 21.152 0.079 1.00 94.67 76 A 1 ATOM 598 C CA . THR A 1 76 ? -8.715 19.826 0.042 1.00 94.52 76 A 1 ATOM 599 C C . THR A 1 76 ? -8.922 19.330 1.481 1.00 94.51 76 A 1 ATOM 600 O O . THR A 1 76 ? -8.042 18.672 2.044 1.00 93.90 76 A 1 ATOM 601 C CB . THR A 1 76 ? -7.864 18.856 -0.790 1.00 93.57 76 A 1 ATOM 602 O OG1 . THR A 1 76 ? -7.497 19.443 -2.020 1.00 90.36 76 A 1 ATOM 603 C CG2 . THR A 1 76 ? -8.625 17.578 -1.121 1.00 90.43 76 A 1 ATOM 604 N N . PRO A 1 77 ? -10.049 19.699 2.130 1.00 95.11 77 A 1 ATOM 605 C CA . PRO A 1 77 ? -10.342 19.317 3.517 1.00 94.75 77 A 1 ATOM 606 C C . PRO A 1 77 ? -10.342 17.805 3.754 1.00 95.02 77 A 1 ATOM 607 O O . PRO A 1 77 ? -9.902 17.355 4.812 1.00 94.13 77 A 1 ATOM 608 C CB . PRO A 1 77 ? -11.715 19.920 3.824 1.00 93.74 77 A 1 ATOM 609 C CG . PRO A 1 77 ? -11.814 21.101 2.867 1.00 92.40 77 A 1 ATOM 610 C CD . PRO A 1 77 ? -11.085 20.589 1.629 1.00 94.62 77 A 1 ATOM 611 N N . GLU A 1 78 ? -10.740 17.026 2.751 1.00 94.39 78 A 1 ATOM 612 C CA . GLU A 1 78 ? -10.824 15.565 2.774 1.00 94.15 78 A 1 ATOM 613 C C . GLU A 1 78 ? -9.485 14.924 3.160 1.00 94.49 78 A 1 ATOM 614 O O . GLU A 1 78 ? -9.445 13.944 3.906 1.00 94.01 78 A 1 ATOM 615 C CB . GLU A 1 78 ? -11.270 15.047 1.391 1.00 93.52 78 A 1 ATOM 616 C CG . GLU A 1 78 ? -12.648 15.550 0.907 1.00 86.94 78 A 1 ATOM 617 C CD . GLU A 1 78 ? -12.665 16.970 0.298 1.00 82.92 78 A 1 ATOM 618 O OE1 . GLU A 1 78 ? -13.760 17.441 -0.064 1.00 72.99 78 A 1 ATOM 619 O OE2 . GLU A 1 78 ? -11.594 17.626 0.225 1.00 73.99 78 A 1 ATOM 620 N N . PHE A 1 79 ? -8.354 15.523 2.752 1.00 96.06 79 A 1 ATOM 621 C CA . PHE A 1 79 ? -7.024 15.049 3.138 1.00 96.36 79 A 1 ATOM 622 C C . PHE A 1 79 ? -6.768 15.160 4.647 1.00 96.38 79 A 1 ATOM 623 O O . PHE A 1 79 ? -5.962 14.406 5.188 1.00 95.89 79 A 1 ATOM 624 C CB . PHE A 1 79 ? -5.939 15.827 2.375 1.00 96.45 79 A 1 ATOM 625 C CG . PHE A 1 79 ? -5.884 15.631 0.868 1.00 96.81 79 A 1 ATOM 626 C CD1 . PHE A 1 79 ? -6.536 14.557 0.231 1.00 95.41 79 A 1 ATOM 627 C CD2 . PHE A 1 79 ? -5.123 16.528 0.088 1.00 95.71 79 A 1 ATOM 628 C CE1 . PHE A 1 79 ? -6.448 14.390 -1.162 1.00 95.00 79 A 1 ATOM 629 C CE2 . PHE A 1 79 ? -5.031 16.358 -1.303 1.00 95.17 79 A 1 ATOM 630 C CZ . PHE A 1 79 ? -5.699 15.292 -1.928 1.00 95.56 79 A 1 ATOM 631 N N . ARG A 1 80 ? -7.425 16.090 5.336 1.00 96.64 80 A 1 ATOM 632 C CA . ARG A 1 80 ? -7.323 16.252 6.797 1.00 96.36 80 A 1 ATOM 633 C C . ARG A 1 80 ? -8.345 15.395 7.538 1.00 96.29 80 A 1 ATOM 634 O O . ARG A 1 80 ? -8.045 14.914 8.626 1.00 96.02 80 A 1 ATOM 635 C CB . ARG A 1 80 ? -7.492 17.729 7.176 1.00 96.14 80 A 1 ATOM 636 C CG . ARG A 1 80 ? -6.342 18.595 6.650 1.00 94.34 80 A 1 ATOM 637 C CD . ARG A 1 80 ? -6.553 20.070 7.017 1.00 92.63 80 A 1 ATOM 638 N NE . ARG A 1 80 ? -7.601 20.691 6.180 1.00 85.94 80 A 1 ATOM 639 C CZ . ARG A 1 80 ? -8.231 21.829 6.414 1.00 80.94 80 A 1 ATOM 640 N NH1 . ARG A 1 80 ? -8.000 22.542 7.477 1.00 72.48 80 A 1 ATOM 641 N NH2 . ARG A 1 80 ? -9.119 22.269 5.567 1.00 71.92 80 A 1 ATOM 642 N N . GLU A 1 81 ? -9.522 15.223 6.963 1.00 95.12 81 A 1 ATOM 643 C CA . GLU A 1 81 ? -10.636 14.488 7.567 1.00 94.73 81 A 1 ATOM 644 C C . GLU A 1 81 ? -10.434 12.969 7.486 1.00 94.70 81 A 1 ATOM 645 O O . GLU A 1 81 ? -10.620 12.267 8.480 1.00 94.03 81 A 1 ATOM 646 C CB . GLU A 1 81 ? -11.942 14.909 6.877 1.00 94.51 81 A 1 ATOM 647 C CG . GLU A 1 81 ? -12.287 16.377 7.184 1.00 92.08 81 A 1 ATOM 648 C CD . GLU A 1 81 ? -13.517 16.899 6.423 1.00 89.92 81 A 1 ATOM 649 O OE1 . GLU A 1 81 ? -13.784 18.120 6.583 1.00 84.17 81 A 1 ATOM 650 O OE2 . GLU A 1 81 ? -14.170 16.103 5.722 1.00 85.55 81 A 1 ATOM 651 N N . ASN A 1 82 ? -9.987 12.473 6.331 1.00 95.40 82 A 1 ATOM 652 C CA . ASN A 1 82 ? -9.718 11.054 6.099 1.00 95.30 82 A 1 ATOM 653 C C . ASN A 1 82 ? -8.354 10.823 5.405 1.00 95.81 82 A 1 ATOM 654 O O . ASN A 1 82 ? -8.294 10.330 4.276 1.00 95.67 82 A 1 ATOM 655 C CB . ASN A 1 82 ? -10.899 10.438 5.330 1.00 94.34 82 A 1 ATOM 656 C CG . ASN A 1 82 ? -10.755 8.932 5.187 1.00 91.03 82 A 1 ATOM 657 O OD1 . ASN A 1 82 ? -9.954 8.291 5.860 1.00 86.87 82 A 1 ATOM 658 N ND2 . ASN A 1 82 ? -11.516 8.323 4.314 1.00 85.21 82 A 1 ATOM 659 N N . PRO A 1 83 ? -7.220 11.150 6.045 1.00 96.57 83 A 1 ATOM 660 C CA . PRO A 1 83 ? -5.912 11.102 5.397 1.00 96.85 83 A 1 ATOM 661 C C . PRO A 1 83 ? -5.510 9.706 4.914 1.00 97.06 83 A 1 ATOM 662 O O . PRO A 1 83 ? -4.852 9.587 3.881 1.00 96.85 83 A 1 ATOM 663 C CB . PRO A 1 83 ? -4.930 11.639 6.438 1.00 96.48 83 A 1 ATOM 664 C CG . PRO A 1 83 ? -5.647 11.454 7.774 1.00 94.40 83 A 1 ATOM 665 C CD . PRO A 1 83 ? -7.113 11.619 7.409 1.00 96.43 83 A 1 ATOM 666 N N . VAL A 1 84 ? -5.885 8.655 5.627 1.00 96.38 84 A 1 ATOM 667 C CA . VAL A 1 84 ? -5.541 7.271 5.267 1.00 96.21 84 A 1 ATOM 668 C C . VAL A 1 84 ? -6.355 6.809 4.061 1.00 96.08 84 A 1 ATOM 669 O O . VAL A 1 84 ? -5.779 6.302 3.099 1.00 95.89 84 A 1 ATOM 670 C CB . VAL A 1 84 ? -5.733 6.324 6.469 1.00 95.92 84 A 1 ATOM 671 C CG1 . VAL A 1 84 ? -5.392 4.870 6.109 1.00 95.27 84 A 1 ATOM 672 C CG2 . VAL A 1 84 ? -4.834 6.744 7.639 1.00 95.27 84 A 1 ATOM 673 N N . GLY A 1 85 ? -7.671 7.036 4.085 1.00 95.33 85 A 1 ATOM 674 C CA . GLY A 1 85 ? -8.549 6.691 2.963 1.00 94.86 85 A 1 ATOM 675 C C . GLY A 1 85 ? -8.167 7.434 1.684 1.00 95.12 85 A 1 ATOM 676 O O . GLY A 1 85 ? -7.994 6.812 0.637 1.00 94.94 85 A 1 ATOM 677 N N . GLU A 1 86 ? -7.911 8.733 1.777 1.00 95.84 86 A 1 ATOM 678 C CA . GLU A 1 86 ? -7.483 9.544 0.632 1.00 96.13 86 A 1 ATOM 679 C C . GLU A 1 86 ? -6.100 9.139 0.102 1.00 96.44 86 A 1 ATOM 680 O O . GLU A 1 86 ? -5.895 9.069 -1.110 1.00 96.38 86 A 1 ATOM 681 C CB . GLU A 1 86 ? -7.491 11.028 1.017 1.00 96.20 86 A 1 ATOM 682 C CG . GLU A 1 86 ? -8.917 11.594 1.151 1.00 94.77 86 A 1 ATOM 683 C CD . GLU A 1 86 ? -9.690 11.438 -0.164 1.00 94.38 86 A 1 ATOM 684 O OE1 . GLU A 1 86 ? -10.756 10.795 -0.170 1.00 89.60 86 A 1 ATOM 685 O OE2 . GLU A 1 86 ? -9.155 11.870 -1.216 1.00 90.24 86 A 1 ATOM 686 N N . PHE A 1 87 ? -5.158 8.802 0.978 1.00 96.59 87 A 1 ATOM 687 C CA . PHE A 1 87 ? -3.857 8.279 0.563 1.00 96.96 87 A 1 ATOM 688 C C . PHE A 1 87 ? -3.998 6.959 -0.204 1.00 96.96 87 A 1 ATOM 689 O O . PHE A 1 87 ? -3.417 6.799 -1.280 1.00 96.93 87 A 1 ATOM 690 C CB . PHE A 1 87 ? -2.961 8.111 1.795 1.00 97.23 87 A 1 ATOM 691 C CG . PHE A 1 87 ? -1.600 7.515 1.499 1.00 97.54 87 A 1 ATOM 692 C CD1 . PHE A 1 87 ? -1.202 6.314 2.119 1.00 97.24 87 A 1 ATOM 693 C CD2 . PHE A 1 87 ? -0.723 8.167 0.613 1.00 97.39 87 A 1 ATOM 694 C CE1 . PHE A 1 87 ? 0.074 5.782 1.873 1.00 97.35 87 A 1 ATOM 695 C CE2 . PHE A 1 87 ? 0.551 7.631 0.361 1.00 97.39 87 A 1 ATOM 696 C CZ . PHE A 1 87 ? 0.952 6.444 0.996 1.00 97.59 87 A 1 ATOM 697 N N . ASN A 1 88 ? -4.813 6.037 0.308 1.00 96.46 88 A 1 ATOM 698 C CA . ASN A 1 88 ? -5.089 4.764 -0.348 1.00 96.05 88 A 1 ATOM 699 C C . ASN A 1 88 ? -5.829 4.948 -1.680 1.00 96.25 88 A 1 ATOM 700 O O . ASN A 1 88 ? -5.440 4.339 -2.684 1.00 96.07 88 A 1 ATOM 701 C CB . ASN A 1 88 ? -5.858 3.868 0.638 1.00 95.60 88 A 1 ATOM 702 C CG . ASN A 1 88 ? -4.965 3.251 1.703 1.00 94.44 88 A 1 ATOM 703 O OD1 . ASN A 1 88 ? -3.742 3.212 1.588 1.00 90.51 88 A 1 ATOM 704 N ND2 . ASN A 1 88 ? -5.551 2.692 2.739 1.00 89.79 88 A 1 ATOM 705 N N . ARG A 1 89 ? -6.810 5.847 -1.734 1.00 95.87 89 A 1 ATOM 706 C CA . ARG A 1 89 ? -7.514 6.206 -2.975 1.00 95.86 89 A 1 ATOM 707 C C . ARG A 1 89 ? -6.541 6.713 -4.042 1.00 96.31 89 A 1 ATOM 708 O O . ARG A 1 89 ? -6.529 6.183 -5.150 1.00 96.46 89 A 1 ATOM 709 C CB . ARG A 1 89 ? -8.604 7.246 -2.658 1.00 95.64 89 A 1 ATOM 710 C CG . ARG A 1 89 ? -9.489 7.529 -3.880 1.00 92.52 89 A 1 ATOM 711 C CD . ARG A 1 89 ? -10.530 8.620 -3.602 1.00 90.20 89 A 1 ATOM 712 N NE . ARG A 1 89 ? -9.929 9.944 -3.365 1.00 83.91 89 A 1 ATOM 713 C CZ . ARG A 1 89 ? -9.392 10.752 -4.261 1.00 78.95 89 A 1 ATOM 714 N NH1 . ARG A 1 89 ? -9.361 10.480 -5.533 1.00 71.57 89 A 1 ATOM 715 N NH2 . ARG A 1 89 ? -8.868 11.873 -3.870 1.00 70.06 89 A 1 ATOM 716 N N . LEU A 1 90 ? -5.672 7.661 -3.691 1.00 96.31 90 A 1 ATOM 717 C CA . LEU A 1 90 ? -4.667 8.201 -4.614 1.00 96.79 90 A 1 ATOM 718 C C . LEU A 1 90 ? -3.689 7.122 -5.093 1.00 97.12 90 A 1 ATOM 719 O O . LEU A 1 90 ? -3.397 7.048 -6.288 1.00 97.22 90 A 1 ATOM 720 C CB . LEU A 1 90 ? -3.906 9.348 -3.927 1.00 97.12 90 A 1 ATOM 721 C CG . LEU A 1 90 ? -4.725 10.640 -3.751 1.00 96.54 90 A 1 ATOM 722 C CD1 . LEU A 1 90 ? -3.939 11.612 -2.871 1.00 95.71 90 A 1 ATOM 723 C CD2 . LEU A 1 90 ? -5.005 11.333 -5.086 1.00 95.78 90 A 1 ATOM 724 N N . LYS A 1 91 ? -3.204 6.246 -4.193 1.00 96.89 91 A 1 ATOM 725 C CA . LYS A 1 91 ? -2.355 5.110 -4.582 1.00 97.09 91 A 1 ATOM 726 C C . LYS A 1 91 ? -3.045 4.221 -5.617 1.00 97.32 91 A 1 ATOM 727 O O . LYS A 1 91 ? -2.432 3.884 -6.629 1.00 97.35 91 A 1 ATOM 728 C CB . LYS A 1 91 ? -1.963 4.260 -3.365 1.00 96.84 91 A 1 ATOM 729 C CG . LYS A 1 91 ? -0.894 4.920 -2.484 1.00 95.67 91 A 1 ATOM 730 C CD . LYS A 1 91 ? -0.285 3.921 -1.488 1.00 94.80 91 A 1 ATOM 731 C CE . LYS A 1 91 ? -1.321 3.334 -0.521 1.00 91.92 91 A 1 ATOM 732 N NZ . LYS A 1 91 ? -0.716 2.293 0.344 1.00 91.37 91 A 1 ATOM 733 N N . LEU A 1 92 ? -4.304 3.870 -5.384 1.00 96.72 92 A 1 ATOM 734 C CA . LEU A 1 92 ? -5.066 3.015 -6.292 1.00 96.77 92 A 1 ATOM 735 C C . LEU A 1 92 ? -5.287 3.682 -7.656 1.00 97.06 92 A 1 ATOM 736 O O . LEU A 1 92 ? -5.069 3.047 -8.688 1.00 97.03 92 A 1 ATOM 737 C CB . LEU A 1 92 ? -6.393 2.634 -5.618 1.00 96.34 92 A 1 ATOM 738 C CG . LEU A 1 92 ? -7.285 1.722 -6.484 1.00 95.39 92 A 1 ATOM 739 C CD1 . LEU A 1 92 ? -6.607 0.394 -6.821 1.00 94.12 92 A 1 ATOM 740 C CD2 . LEU A 1 92 ? -8.591 1.430 -5.752 1.00 93.96 92 A 1 ATOM 741 N N . GLU A 1 93 ? -5.680 4.952 -7.686 1.00 96.35 93 A 1 ATOM 742 C CA . GLU A 1 93 ? -5.895 5.705 -8.927 1.00 96.50 93 A 1 ATOM 743 C C . GLU A 1 93 ? -4.622 5.787 -9.776 1.00 96.94 93 A 1 ATOM 744 O O . GLU A 1 93 ? -4.647 5.517 -10.979 1.00 96.76 93 A 1 ATOM 745 C CB . GLU A 1 93 ? -6.381 7.123 -8.599 1.00 96.21 93 A 1 ATOM 746 C CG . GLU A 1 93 ? -7.852 7.143 -8.158 1.00 88.15 93 A 1 ATOM 747 C CD . GLU A 1 93 ? -8.341 8.535 -7.738 1.00 84.71 93 A 1 ATOM 748 O OE1 . GLU A 1 93 ? -9.522 8.627 -7.342 1.00 75.70 93 A 1 ATOM 749 O OE2 . GLU A 1 93 ? -7.564 9.516 -7.781 1.00 76.70 93 A 1 ATOM 750 N N . ILE A 1 94 ? -3.489 6.093 -9.142 1.00 97.46 94 A 1 ATOM 751 C CA . ILE A 1 94 ? -2.198 6.165 -9.825 1.00 97.47 94 A 1 ATOM 752 C C . ILE A 1 94 ? -1.774 4.776 -10.314 1.00 97.57 94 A 1 ATOM 753 O O . ILE A 1 94 ? -1.378 4.631 -11.471 1.00 97.49 94 A 1 ATOM 754 C CB . ILE A 1 94 ? -1.144 6.810 -8.904 1.00 97.43 94 A 1 ATOM 755 C CG1 . ILE A 1 94 ? -1.501 8.283 -8.582 1.00 96.48 94 A 1 ATOM 756 C CG2 . ILE A 1 94 ? 0.240 6.768 -9.570 1.00 96.52 94 A 1 ATOM 757 C CD1 . ILE A 1 94 ? -0.784 8.827 -7.341 1.00 92.78 94 A 1 ATOM 758 N N . ALA A 1 95 ? -1.908 3.739 -9.482 1.00 97.46 95 A 1 ATOM 759 C CA . ALA A 1 95 ? -1.597 2.366 -9.866 1.00 97.33 95 A 1 ATOM 760 C C . ALA A 1 95 ? -2.412 1.917 -11.089 1.00 97.40 95 A 1 ATOM 761 O O . ALA A 1 95 ? -1.847 1.402 -12.053 1.00 97.38 95 A 1 ATOM 762 C CB . ALA A 1 95 ? -1.846 1.453 -8.659 1.00 97.12 95 A 1 ATOM 763 N N . LYS A 1 96 ? -3.715 2.181 -11.105 1.00 97.26 96 A 1 ATOM 764 C CA . LYS A 1 96 ? -4.581 1.904 -12.263 1.00 97.21 96 A 1 ATOM 765 C C . LYS A 1 96 ? -4.126 2.650 -13.511 1.00 97.33 96 A 1 ATOM 766 O O . LYS A 1 96 ? -4.106 2.071 -14.598 1.00 97.09 96 A 1 ATOM 767 C CB . LYS A 1 96 ? -6.018 2.313 -11.943 1.00 97.08 96 A 1 ATOM 768 C CG . LYS A 1 96 ? -6.723 1.318 -11.021 1.00 96.45 96 A 1 ATOM 769 C CD . LYS A 1 96 ? -8.116 1.869 -10.732 1.00 94.79 96 A 1 ATOM 770 C CE . LYS A 1 96 ? -8.965 0.839 -10.013 1.00 91.61 96 A 1 ATOM 771 N NZ . LYS A 1 96 ? -10.361 1.315 -9.931 1.00 86.63 96 A 1 ATOM 772 N N . LYS A 1 97 ? -3.731 3.918 -13.356 1.00 97.58 97 A 1 ATOM 773 C CA . LYS A 1 97 ? -3.222 4.713 -14.474 1.00 97.43 97 A 1 ATOM 774 C C . LYS A 1 97 ? -1.948 4.101 -15.051 1.00 97.54 97 A 1 ATOM 775 O O . LYS A 1 97 ? -1.880 3.920 -16.261 1.00 97.19 97 A 1 ATOM 776 C CB . LYS A 1 97 ? -3.028 6.172 -14.030 1.00 97.35 97 A 1 ATOM 777 C CG . LYS A 1 97 ? -2.564 7.100 -15.164 1.00 92.91 97 A 1 ATOM 778 C CD . LYS A 1 97 ? -3.557 7.156 -16.333 1.00 87.32 97 A 1 ATOM 779 C CE . LYS A 1 97 ? -3.080 8.150 -17.389 1.00 80.94 97 A 1 ATOM 780 N NZ . LYS A 1 97 ? -3.966 8.131 -18.578 1.00 71.39 97 A 1 ATOM 781 N N . TRP A 1 98 ? -0.979 3.720 -14.217 1.00 97.78 98 A 1 ATOM 782 C CA . TRP A 1 98 ? 0.263 3.086 -14.670 1.00 97.81 98 A 1 ATOM 783 C C . TRP A 1 98 ? 0.010 1.736 -15.338 1.00 97.79 98 A 1 ATOM 784 O O . TRP A 1 98 ? 0.523 1.477 -16.427 1.00 97.34 98 A 1 ATOM 785 C CB . TRP A 1 98 ? 1.206 2.911 -13.480 1.00 97.78 98 A 1 ATOM 786 C CG . TRP A 1 98 ? 1.727 4.159 -12.843 1.00 97.86 98 A 1 ATOM 787 C CD1 . TRP A 1 98 ? 1.590 5.429 -13.285 1.00 97.09 98 A 1 ATOM 788 C CD2 . TRP A 1 98 ? 2.529 4.242 -11.631 1.00 97.61 98 A 1 ATOM 789 N NE1 . TRP A 1 98 ? 2.246 6.294 -12.438 1.00 96.90 98 A 1 ATOM 790 C CE2 . TRP A 1 98 ? 2.852 5.611 -11.401 1.00 97.35 98 A 1 ATOM 791 C CE3 . TRP A 1 98 ? 3.027 3.290 -10.711 1.00 97.28 98 A 1 ATOM 792 C CZ2 . TRP A 1 98 ? 3.646 6.015 -10.322 1.00 96.66 98 A 1 ATOM 793 C CZ3 . TRP A 1 98 ? 3.823 3.686 -9.624 1.00 96.53 98 A 1 ATOM 794 C CH2 . TRP A 1 98 ? 4.135 5.043 -9.432 1.00 96.28 98 A 1 ATOM 795 N N . VAL A 1 99 ? -0.833 0.902 -14.732 1.00 97.46 99 A 1 ATOM 796 C CA . VAL A 1 99 ? -1.209 -0.396 -15.295 1.00 97.39 99 A 1 ATOM 797 C C . VAL A 1 99 ? -1.878 -0.230 -16.666 1.00 97.12 99 A 1 ATOM 798 O O . VAL A 1 99 ? -1.603 -1.016 -17.573 1.00 96.55 99 A 1 ATOM 799 C CB . VAL A 1 99 ? -2.079 -1.152 -14.275 1.00 97.35 99 A 1 ATOM 800 C CG1 . VAL A 1 99 ? -2.709 -2.418 -14.841 1.00 95.94 99 A 1 ATOM 801 C CG2 . VAL A 1 99 ? -1.218 -1.587 -13.075 1.00 96.04 99 A 1 ATOM 802 N N . SER A 1 100 ? -2.670 0.828 -16.870 1.00 97.28 100 A 1 ATOM 803 C CA . SER A 1 100 ? -3.294 1.103 -18.174 1.00 97.10 100 A 1 ATOM 804 C C . SER A 1 100 ? -2.292 1.338 -19.315 1.00 96.88 100 A 1 ATOM 805 O O . SER A 1 100 ? -2.616 1.068 -20.469 1.00 96.28 100 A 1 ATOM 806 C CB . SER A 1 100 ? -4.286 2.270 -18.073 1.00 96.99 100 A 1 ATOM 807 O OG . SER A 1 100 ? -3.669 3.543 -18.108 1.00 94.39 100 A 1 ATOM 808 N N . TYR A 1 101 ? -1.065 1.782 -19.006 1.00 96.51 101 A 1 ATOM 809 C CA . TYR A 1 101 ? -0.025 1.996 -20.017 1.00 96.18 101 A 1 ATOM 810 C C . TYR A 1 101 ? 0.416 0.701 -20.699 1.00 96.16 101 A 1 ATOM 811 O O . TYR A 1 101 ? 0.877 0.737 -21.835 1.00 95.06 101 A 1 ATOM 812 C CB . TYR A 1 101 ? 1.190 2.701 -19.391 1.00 96.03 101 A 1 ATOM 813 C CG . TYR A 1 101 ? 0.940 4.044 -18.724 1.00 96.08 101 A 1 ATOM 814 C CD1 . TYR A 1 101 ? -0.133 4.865 -19.122 1.00 93.60 101 A 1 ATOM 815 C CD2 . TYR A 1 101 ? 1.827 4.499 -17.727 1.00 93.96 101 A 1 ATOM 816 C CE1 . TYR A 1 101 ? -0.321 6.125 -18.530 1.00 92.85 101 A 1 ATOM 817 C CE2 . TYR A 1 101 ? 1.645 5.761 -17.133 1.00 93.15 101 A 1 ATOM 818 C CZ . TYR A 1 101 ? 0.571 6.577 -17.538 1.00 93.73 101 A 1 ATOM 819 O OH . TYR A 1 101 ? 0.396 7.799 -16.974 1.00 92.18 101 A 1 ATOM 820 N N . ASN A 1 102 ? 0.238 -0.445 -20.042 1.00 95.94 102 A 1 ATOM 821 C CA . ASN A 1 102 ? 0.611 -1.740 -20.599 1.00 95.44 102 A 1 ATOM 822 C C . ASN A 1 102 ? -0.288 -2.191 -21.756 1.00 95.24 102 A 1 ATOM 823 O O . ASN A 1 102 ? 0.120 -3.066 -22.520 1.00 94.64 102 A 1 ATOM 824 C CB . ASN A 1 102 ? 0.584 -2.798 -19.490 1.00 94.85 102 A 1 ATOM 825 C CG . ASN A 1 102 ? 1.669 -2.639 -18.450 1.00 95.05 102 A 1 ATOM 826 O OD1 . ASN A 1 102 ? 2.630 -1.909 -18.593 1.00 92.66 102 A 1 ATOM 827 N ND2 . ASN A 1 102 ? 1.563 -3.384 -17.376 1.00 92.50 102 A 1 ATOM 828 N N . ARG A 1 103 ? -1.495 -1.643 -21.899 1.00 95.05 103 A 1 ATOM 829 C CA . ARG A 1 103 ? -2.501 -2.176 -22.829 1.00 94.06 103 A 1 ATOM 830 C C . ARG A 1 103 ? -1.989 -2.231 -24.269 1.00 94.09 103 A 1 ATOM 831 O O . ARG A 1 103 ? -1.995 -3.307 -24.863 1.00 93.23 103 A 1 ATOM 832 C CB . ARG A 1 103 ? -3.809 -1.388 -22.680 1.00 93.55 103 A 1 ATOM 833 C CG . ARG A 1 103 ? -4.917 -1.998 -23.545 1.00 88.01 103 A 1 ATOM 834 C CD . ARG A 1 103 ? -6.284 -1.356 -23.274 1.00 85.15 103 A 1 ATOM 835 N NE . ARG A 1 103 ? -6.876 -1.817 -22.006 1.00 77.99 103 A 1 ATOM 836 C CZ . ARG A 1 103 ? -8.030 -1.442 -21.491 1.00 70.67 103 A 1 ATOM 837 N NH1 . ARG A 1 103 ? -8.785 -0.551 -22.079 1.00 65.67 103 A 1 ATOM 838 N NH2 . ARG A 1 103 ? -8.441 -1.965 -20.367 1.00 62.61 103 A 1 ATOM 839 N N . SER A 1 104 ? -1.460 -1.132 -24.793 1.00 94.82 104 A 1 ATOM 840 C CA . SER A 1 104 ? -0.949 -1.091 -26.172 1.00 94.57 104 A 1 ATOM 841 C C . SER A 1 104 ? 0.238 -2.031 -26.413 1.00 94.91 104 A 1 ATOM 842 O O . SER A 1 104 ? 0.388 -2.576 -27.504 1.00 93.09 104 A 1 ATOM 843 C CB . SER A 1 104 ? -0.540 0.341 -26.530 1.00 93.37 104 A 1 ATOM 844 O OG . SER A 1 104 ? 0.399 0.842 -25.601 1.00 86.74 104 A 1 ATOM 845 N N . PHE A 1 105 ? 1.073 -2.261 -25.390 1.00 94.85 105 A 1 ATOM 846 C CA . PHE A 1 105 ? 2.214 -3.176 -25.467 1.00 94.36 105 A 1 ATOM 847 C C . PHE A 1 105 ? 1.758 -4.639 -25.485 1.00 94.43 105 A 1 ATOM 848 O O . PHE A 1 105 ? 2.284 -5.443 -26.260 1.00 92.91 105 A 1 ATOM 849 C CB . PHE A 1 105 ? 3.158 -2.915 -24.287 1.00 94.14 105 A 1 ATOM 850 C CG . PHE A 1 105 ? 3.859 -1.569 -24.330 1.00 94.59 105 A 1 ATOM 851 C CD1 . PHE A 1 105 ? 5.178 -1.480 -24.813 1.00 91.99 105 A 1 ATOM 852 C CD2 . PHE A 1 105 ? 3.201 -0.407 -23.894 1.00 93.17 105 A 1 ATOM 853 C CE1 . PHE A 1 105 ? 5.832 -0.238 -24.865 1.00 91.49 105 A 1 ATOM 854 C CE2 . PHE A 1 105 ? 3.850 0.839 -23.952 1.00 92.24 105 A 1 ATOM 855 C CZ . PHE A 1 105 ? 5.168 0.924 -24.437 1.00 92.95 105 A 1 ATOM 856 N N . LEU A 1 106 ? 0.766 -4.977 -24.659 1.00 93.27 106 A 1 ATOM 857 C CA . LEU A 1 106 ? 0.174 -6.314 -24.639 1.00 92.03 106 A 1 ATOM 858 C C . LEU A 1 106 ? -0.561 -6.632 -25.946 1.00 91.72 106 A 1 ATOM 859 O O . LEU A 1 106 ? -0.407 -7.739 -26.463 1.00 91.22 106 A 1 ATOM 860 C CB . LEU A 1 106 ? -0.768 -6.436 -23.433 1.00 91.80 106 A 1 ATOM 861 C CG . LEU A 1 106 ? -0.052 -6.459 -22.071 1.00 89.77 106 A 1 ATOM 862 C CD1 . LEU A 1 106 ? -1.085 -6.384 -20.951 1.00 87.76 106 A 1 ATOM 863 C CD2 . LEU A 1 106 ? 0.774 -7.736 -21.873 1.00 88.87 106 A 1 ATOM 864 N N . ASP A 1 107 ? -1.288 -5.667 -26.499 1.00 92.23 107 A 1 ATOM 865 C CA . ASP A 1 107 ? -1.978 -5.804 -27.788 1.00 92.06 107 A 1 ATOM 866 C C . ASP A 1 107 ? -0.984 -5.993 -28.948 1.00 92.39 107 A 1 ATOM 867 O O . ASP A 1 107 ? -1.235 -6.775 -29.864 1.00 91.17 107 A 1 ATOM 868 C CB . ASP A 1 107 ? -2.863 -4.570 -28.044 1.00 91.28 107 A 1 ATOM 869 C CG . ASP A 1 107 ? -4.046 -4.418 -27.077 1.00 88.09 107 A 1 ATOM 870 O OD1 . ASP A 1 107 ? -4.450 -5.422 -26.452 1.00 85.33 107 A 1 ATOM 871 O OD2 . ASP A 1 107 ? -4.563 -3.277 -26.983 1.00 85.31 107 A 1 ATOM 872 N N . ALA A 1 108 ? 0.185 -5.347 -28.868 1.00 93.43 108 A 1 ATOM 873 C CA . ALA A 1 108 ? 1.287 -5.515 -29.820 1.00 93.37 108 A 1 ATOM 874 C C . ALA A 1 108 ? 2.133 -6.789 -29.589 1.00 92.89 108 A 1 ATOM 875 O O . ALA A 1 108 ? 3.080 -7.042 -30.336 1.00 89.85 108 A 1 ATOM 876 C CB . ALA A 1 108 ? 2.145 -4.246 -29.782 1.00 93.27 108 A 1 ATOM 877 N N . GLY A 1 109 ? 1.844 -7.581 -28.547 1.00 90.78 109 A 1 ATOM 878 C CA . GLY A 1 109 ? 2.613 -8.781 -28.200 1.00 89.82 109 A 1 ATOM 879 C C . GLY A 1 109 ? 4.007 -8.501 -27.621 1.00 89.77 109 A 1 ATOM 880 O O . GLY A 1 109 ? 4.853 -9.397 -27.590 1.00 86.07 109 A 1 ATOM 881 N N . THR A 1 110 ? 4.271 -7.282 -27.149 1.00 91.16 110 A 1 ATOM 882 C CA . THR A 1 110 ? 5.569 -6.887 -26.580 1.00 90.23 110 A 1 ATOM 883 C C . THR A 1 110 ? 5.731 -7.426 -25.156 1.00 89.96 110 A 1 ATOM 884 O O . THR A 1 110 ? 4.838 -7.328 -24.315 1.00 86.69 110 A 1 ATOM 885 C CB . THR A 1 110 ? 5.749 -5.365 -26.606 1.00 87.31 110 A 1 ATOM 886 O OG1 . THR A 1 110 ? 5.524 -4.881 -27.907 1.00 78.46 110 A 1 ATOM 887 C CG2 . THR A 1 110 ? 7.166 -4.937 -26.237 1.00 77.35 110 A 1 ATOM 888 N N . SER A 1 111 ? 6.906 -7.989 -24.856 1.00 87.64 111 A 1 ATOM 889 C CA . SER A 1 111 ? 7.191 -8.574 -23.536 1.00 86.58 111 A 1 ATOM 890 C C . SER A 1 111 ? 7.682 -7.558 -22.494 1.00 87.84 111 A 1 ATOM 891 O O . SER A 1 111 ? 7.560 -7.810 -21.288 1.00 85.33 111 A 1 ATOM 892 C CB . SER A 1 111 ? 8.206 -9.708 -23.691 1.00 82.95 111 A 1 ATOM 893 O OG . SER A 1 111 ? 9.438 -9.214 -24.177 1.00 75.23 111 A 1 ATOM 894 N N . GLU A 1 112 ? 8.236 -6.430 -22.935 1.00 88.88 112 A 1 ATOM 895 C CA . GLU A 1 112 ? 8.660 -5.323 -22.077 1.00 89.87 112 A 1 ATOM 896 C C . GLU A 1 112 ? 7.487 -4.378 -21.837 1.00 91.61 112 A 1 ATOM 897 O O . GLU A 1 112 ? 6.967 -3.767 -22.766 1.00 89.59 112 A 1 ATOM 898 C CB . GLU A 1 112 ? 9.867 -4.593 -22.674 1.00 86.88 112 A 1 ATOM 899 C CG . GLU A 1 112 ? 11.094 -5.514 -22.691 1.00 76.11 112 A 1 ATOM 900 C CD . GLU A 1 112 ? 12.394 -4.813 -23.103 1.00 71.15 112 A 1 ATOM 901 O OE1 . GLU A 1 112 ? 13.436 -5.504 -23.008 1.00 62.98 112 A 1 ATOM 902 O OE2 . GLU A 1 112 ? 12.330 -3.634 -23.490 1.00 62.82 112 A 1 ATOM 903 N N . LEU A 1 113 ? 7.043 -4.307 -20.591 1.00 92.76 113 A 1 ATOM 904 C CA . LEU A 1 113 ? 5.912 -3.488 -20.185 1.00 93.69 113 A 1 ATOM 905 C C . LEU A 1 113 ? 6.400 -2.264 -19.400 1.00 94.66 113 A 1 ATOM 906 O O . LEU A 1 113 ? 7.243 -2.425 -18.515 1.00 93.95 113 A 1 ATOM 907 C CB . LEU A 1 113 ? 4.919 -4.325 -19.360 1.00 93.11 113 A 1 ATOM 908 C CG . LEU A 1 113 ? 4.356 -5.571 -20.069 1.00 92.26 113 A 1 ATOM 909 C CD1 . LEU A 1 113 ? 3.323 -6.245 -19.165 1.00 90.13 113 A 1 ATOM 910 C CD2 . LEU A 1 113 ? 3.682 -5.248 -21.401 1.00 90.70 113 A 1 ATOM 911 N N . PRO A 1 114 ? 5.824 -1.069 -19.646 1.00 94.94 114 A 1 ATOM 912 C CA . PRO A 1 114 ? 6.149 0.136 -18.887 1.00 95.13 114 A 1 ATOM 913 C C . PRO A 1 114 ? 5.746 0.049 -17.413 1.00 96.01 114 A 1 ATOM 914 O O . PRO A 1 114 ? 6.297 0.764 -16.585 1.00 94.95 114 A 1 ATOM 915 C CB . PRO A 1 114 ? 5.413 1.273 -19.605 1.00 93.72 114 A 1 ATOM 916 C CG . PRO A 1 114 ? 4.253 0.582 -20.306 1.00 92.66 114 A 1 ATOM 917 C CD . PRO A 1 114 ? 4.838 -0.776 -20.678 1.00 95.14 114 A 1 ATOM 918 N N . CYS A 1 115 ? 4.818 -0.840 -17.065 1.00 95.65 115 A 1 ATOM 919 C CA . CYS A 1 115 ? 4.427 -1.093 -15.684 1.00 96.05 115 A 1 ATOM 920 C C . CYS A 1 115 ? 4.595 -2.574 -15.312 1.00 95.98 115 A 1 ATOM 921 O O . CYS A 1 115 ? 4.050 -3.472 -15.960 1.00 95.84 115 A 1 ATOM 922 C CB . CYS A 1 115 ? 3.003 -0.575 -15.468 1.00 95.74 115 A 1 ATOM 923 S SG . CYS A 1 115 ? 2.529 -0.768 -13.735 1.00 93.76 115 A 1 ATOM 924 N N . GLU A 1 116 ? 5.334 -2.840 -14.231 1.00 96.54 116 A 1 ATOM 925 C CA . GLU A 1 116 ? 5.505 -4.168 -13.655 1.00 96.44 116 A 1 ATOM 926 C C . GLU A 1 116 ? 4.590 -4.362 -12.445 1.00 96.75 116 A 1 ATOM 927 O O . GLU A 1 116 ? 4.580 -3.554 -11.516 1.00 96.47 116 A 1 ATOM 928 C CB . GLU A 1 116 ? 6.959 -4.415 -13.228 1.00 95.29 116 A 1 ATOM 929 C CG . GLU A 1 116 ? 7.979 -4.449 -14.372 1.00 88.26 116 A 1 ATOM 930 C CD . GLU A 1 116 ? 9.405 -4.794 -13.881 1.00 86.93 116 A 1 ATOM 931 O OE1 . GLU A 1 116 ? 10.273 -5.033 -14.741 1.00 77.19 116 A 1 ATOM 932 O OE2 . GLU A 1 116 ? 9.652 -4.873 -12.639 1.00 79.60 116 A 1 ATOM 933 N N . LEU A 1 117 ? 3.908 -5.498 -12.405 1.00 96.54 117 A 1 ATOM 934 C CA . LEU A 1 117 ? 3.139 -5.945 -11.247 1.00 96.35 117 A 1 ATOM 935 C C . LEU A 1 117 ? 3.874 -7.094 -10.551 1.00 96.02 117 A 1 ATOM 936 O O . LEU A 1 117 ? 4.196 -8.107 -11.181 1.00 95.55 117 A 1 ATOM 937 C CB . LEU A 1 117 ? 1.729 -6.358 -11.695 1.00 96.27 117 A 1 ATOM 938 C CG . LEU A 1 117 ? 0.884 -5.224 -12.302 1.00 95.34 117 A 1 ATOM 939 C CD1 . LEU A 1 117 ? -0.417 -5.792 -12.851 1.00 92.87 117 A 1 ATOM 940 C CD2 . LEU A 1 117 ? 0.545 -4.173 -11.254 1.00 93.44 117 A 1 ATOM 941 N N . LYS A 1 118 ? 4.127 -6.978 -9.250 1.00 95.96 118 A 1 ATOM 942 C CA . LYS A 1 118 ? 4.716 -8.040 -8.419 1.00 95.15 118 A 1 ATOM 943 C C . LYS A 1 118 ? 3.852 -8.266 -7.189 1.00 95.07 118 A 1 ATOM 944 O O . LYS A 1 118 ? 3.489 -7.316 -6.517 1.00 94.27 118 A 1 ATOM 945 C CB . LYS A 1 118 ? 6.165 -7.697 -8.041 1.00 94.13 118 A 1 ATOM 946 C CG . LYS A 1 118 ? 7.075 -7.732 -9.276 1.00 84.47 118 A 1 ATOM 947 C CD . LYS A 1 118 ? 8.546 -7.406 -8.977 1.00 80.15 118 A 1 ATOM 948 C CE . LYS A 1 118 ? 9.259 -7.416 -10.340 1.00 71.17 118 A 1 ATOM 949 N NZ . LYS A 1 118 ? 10.579 -6.744 -10.355 1.00 61.88 118 A 1 ATOM 950 N N . ILE A 1 119 ? 3.538 -9.522 -6.891 1.00 93.69 119 A 1 ATOM 951 C CA . ILE A 1 119 ? 2.800 -9.896 -5.678 1.00 92.98 119 A 1 ATOM 952 C C . ILE A 1 119 ? 3.743 -10.576 -4.693 1.00 92.22 119 A 1 ATOM 953 O O . ILE A 1 119 ? 4.529 -11.447 -5.067 1.00 91.30 119 A 1 ATOM 954 C CB . ILE A 1 119 ? 1.561 -10.741 -6.022 1.00 92.45 119 A 1 ATOM 955 C CG1 . ILE A 1 119 ? 0.656 -11.031 -4.807 1.00 88.54 119 A 1 ATOM 956 C CG2 . ILE A 1 119 ? 1.938 -12.071 -6.707 1.00 88.56 119 A 1 ATOM 957 C CD1 . ILE A 1 119 ? -0.022 -9.792 -4.224 1.00 84.17 119 A 1 ATOM 958 N N . GLN A 1 120 ? 3.644 -10.194 -3.443 1.00 91.40 120 A 1 ATOM 959 C CA . GLN A 1 120 ? 4.345 -10.787 -2.321 1.00 89.83 120 A 1 ATOM 960 C C . GLN A 1 120 ? 3.323 -11.274 -1.289 1.00 89.61 120 A 1 ATOM 961 O O . GLN A 1 120 ? 2.570 -10.488 -0.728 1.00 89.33 120 A 1 ATOM 962 C CB . GLN A 1 120 ? 5.333 -9.753 -1.771 1.00 88.35 120 A 1 ATOM 963 C CG . GLN A 1 120 ? 6.260 -10.359 -0.715 1.00 76.50 120 A 1 ATOM 964 C CD . GLN A 1 120 ? 7.396 -9.424 -0.312 1.00 73.61 120 A 1 ATOM 965 O OE1 . GLN A 1 120 ? 7.598 -8.355 -0.857 1.00 67.38 120 A 1 ATOM 966 N NE2 . GLN A 1 120 ? 8.213 -9.811 0.636 1.00 62.48 120 A 1 ATOM 967 N N . TYR A 1 121 ? 3.284 -12.583 -1.073 1.00 87.61 121 A 1 ATOM 968 C CA . TYR A 1 121 ? 2.343 -13.221 -0.138 1.00 86.17 121 A 1 ATOM 969 C C . TYR A 1 121 ? 2.900 -13.374 1.280 1.00 83.12 121 A 1 ATOM 970 O O . TYR A 1 121 ? 2.141 -13.598 2.222 1.00 78.57 121 A 1 ATOM 971 C CB . TYR A 1 121 ? 1.966 -14.604 -0.674 1.00 86.69 121 A 1 ATOM 972 C CG . TYR A 1 121 ? 1.183 -14.570 -1.965 1.00 87.73 121 A 1 ATOM 973 C CD1 . TYR A 1 121 ? -0.194 -14.278 -1.927 1.00 86.03 121 A 1 ATOM 974 C CD2 . TYR A 1 121 ? 1.816 -14.846 -3.192 1.00 87.07 121 A 1 ATOM 975 C CE1 . TYR A 1 121 ? -0.942 -14.273 -3.115 1.00 85.66 121 A 1 ATOM 976 C CE2 . TYR A 1 121 ? 1.069 -14.843 -4.384 1.00 86.30 121 A 1 ATOM 977 C CZ . TYR A 1 121 ? -0.314 -14.563 -4.344 1.00 87.99 121 A 1 ATOM 978 O OH . TYR A 1 121 ? -1.043 -14.580 -5.488 1.00 86.41 121 A 1 ATOM 979 N N . GLN A 1 122 ? 4.214 -13.318 1.404 1.00 82.25 122 A 1 ATOM 980 C CA . GLN A 1 122 ? 4.939 -13.450 2.662 1.00 78.60 122 A 1 ATOM 981 C C . GLN A 1 122 ? 5.889 -12.272 2.777 1.00 77.88 122 A 1 ATOM 982 O O . GLN A 1 122 ? 6.485 -11.876 1.774 1.00 71.44 122 A 1 ATOM 983 C CB . GLN A 1 122 ? 5.707 -14.774 2.695 1.00 73.41 122 A 1 ATOM 984 C CG . GLN A 1 122 ? 4.762 -15.982 2.762 1.00 64.43 122 A 1 ATOM 985 C CD . GLN A 1 122 ? 5.499 -17.319 2.781 1.00 58.71 122 A 1 ATOM 986 O OE1 . GLN A 1 122 ? 6.690 -17.432 2.568 1.00 53.36 122 A 1 ATOM 987 N NE2 . GLN A 1 122 ? 4.803 -18.410 3.009 1.00 49.05 122 A 1 ATOM 988 N N . GLY A 1 123 ? 6.006 -11.725 3.981 1.00 74.29 123 A 1 ATOM 989 C CA . GLY A 1 123 ? 6.906 -10.609 4.244 1.00 72.14 123 A 1 ATOM 990 C C . GLY A 1 123 ? 8.355 -10.953 3.930 1.00 72.91 123 A 1 ATOM 991 O O . GLY A 1 123 ? 8.705 -12.134 3.842 1.00 68.10 123 A 1 ATOM 992 N N . PRO A 1 124 ? 9.226 -9.937 3.771 1.00 68.60 124 A 1 ATOM 993 C CA . PRO A 1 124 ? 10.662 -10.154 3.857 1.00 66.48 124 A 1 ATOM 994 C C . PRO A 1 124 ? 10.995 -10.816 5.200 1.00 67.96 124 A 1 ATOM 995 O O . PRO A 1 124 ? 10.121 -10.980 6.053 1.00 62.99 124 A 1 ATOM 996 C CB . PRO A 1 124 ? 11.284 -8.762 3.701 1.00 62.08 124 A 1 ATOM 997 C CG . PRO A 1 124 ? 10.206 -7.824 4.248 1.00 59.99 124 A 1 ATOM 998 C CD . PRO A 1 124 ? 8.909 -8.512 3.850 1.00 63.37 124 A 1 ATOM 999 N N . SER A 1 125 ? 12.256 -11.208 5.405 1.00 63.50 125 A 1 ATOM 1000 C CA . SER A 1 125 ? 12.687 -11.679 6.723 1.00 62.58 125 A 1 ATOM 1001 C C . SER A 1 125 ? 12.391 -10.593 7.760 1.00 64.72 125 A 1 ATOM 1002 O O . SER A 1 125 ? 13.084 -9.577 7.822 1.00 61.62 125 A 1 ATOM 1003 C CB . SER A 1 125 ? 14.177 -12.036 6.704 1.00 54.61 125 A 1 ATOM 1004 O OG . SER A 1 125 ? 14.542 -12.645 7.926 1.00 46.45 125 A 1 ATOM 1005 N N . ILE A 1 126 ? 11.306 -10.777 8.512 1.00 68.66 126 A 1 ATOM 1006 C CA . ILE A 1 126 ? 10.867 -9.887 9.583 1.00 68.73 126 A 1 ATOM 1007 C C . ILE A 1 126 ? 11.211 -10.520 10.925 1.00 73.18 126 A 1 ATOM 1008 O O . ILE A 1 126 ? 11.219 -11.744 11.058 1.00 69.74 126 A 1 ATOM 1009 C CB . ILE A 1 126 ? 9.360 -9.546 9.480 1.00 62.42 126 A 1 ATOM 1010 C CG1 . ILE A 1 126 ? 8.445 -10.788 9.486 1.00 57.76 126 A 1 ATOM 1011 C CG2 . ILE A 1 126 ? 9.112 -8.652 8.255 1.00 56.84 126 A 1 ATOM 1012 C CD1 . ILE A 1 126 ? 6.950 -10.470 9.607 1.00 54.64 126 A 1 ATOM 1013 N N . ASP A 1 127 ? 11.451 -9.686 11.919 1.00 77.98 127 A 1 ATOM 1014 C CA . ASP A 1 127 ? 11.536 -10.136 13.304 1.00 81.65 127 A 1 ATOM 1015 C C . ASP A 1 127 ? 10.114 -10.248 13.888 1.00 83.39 127 A 1 ATOM 1016 O O . ASP A 1 127 ? 9.479 -9.216 14.161 1.00 82.06 127 A 1 ATOM 1017 C CB . ASP A 1 127 ? 12.437 -9.187 14.104 1.00 79.78 127 A 1 ATOM 1018 C CG . ASP A 1 127 ? 12.649 -9.636 15.552 1.00 78.78 127 A 1 ATOM 1019 O OD1 . ASP A 1 127 ? 11.840 -10.443 16.074 1.00 77.43 127 A 1 ATOM 1020 O OD2 . ASP A 1 127 ? 13.600 -9.119 16.180 1.00 76.32 127 A 1 ATOM 1021 N N . PRO A 1 128 ? 9.583 -11.477 14.097 1.00 79.36 128 A 1 ATOM 1022 C CA . PRO A 1 128 ? 8.208 -11.680 14.550 1.00 80.15 128 A 1 ATOM 1023 C C . PRO A 1 128 ? 7.966 -11.191 15.983 1.00 82.70 128 A 1 ATOM 1024 O O . PRO A 1 128 ? 6.820 -11.105 16.417 1.00 79.47 128 A 1 ATOM 1025 C CB . PRO A 1 128 ? 7.970 -13.185 14.413 1.00 77.04 128 A 1 ATOM 1026 C CG . PRO A 1 128 ? 9.360 -13.778 14.630 1.00 75.64 128 A 1 ATOM 1027 C CD . PRO A 1 128 ? 10.266 -12.752 13.955 1.00 80.04 128 A 1 ATOM 1028 N N . SER A 1 129 ? 9.023 -10.848 16.726 1.00 81.59 129 A 1 ATOM 1029 C CA . SER A 1 129 ? 8.883 -10.273 18.066 1.00 82.38 129 A 1 ATOM 1030 C C . SER A 1 129 ? 8.293 -8.856 18.059 1.00 84.76 129 A 1 ATOM 1031 O O . SER A 1 129 ? 7.749 -8.419 19.075 1.00 82.81 129 A 1 ATOM 1032 C CB . SER A 1 129 ? 10.223 -10.295 18.807 1.00 80.65 129 A 1 ATOM 1033 O OG . SER A 1 129 ? 11.133 -9.330 18.318 1.00 77.85 129 A 1 ATOM 1034 N N . TYR A 1 130 ? 8.384 -8.132 16.942 1.00 86.26 130 A 1 ATOM 1035 C CA . TYR A 1 130 ? 7.849 -6.773 16.832 1.00 87.95 130 A 1 ATOM 1036 C C . TYR A 1 130 ? 7.237 -6.419 15.475 1.00 89.46 130 A 1 ATOM 1037 O O . TYR A 1 130 ? 6.531 -5.409 15.388 1.00 88.36 130 A 1 ATOM 1038 C CB . TYR A 1 130 ? 8.927 -5.760 17.229 1.00 85.77 130 A 1 ATOM 1039 C CG . TYR A 1 130 ? 10.066 -5.610 16.243 1.00 84.35 130 A 1 ATOM 1040 C CD1 . TYR A 1 130 ? 11.166 -6.486 16.298 1.00 81.75 130 A 1 ATOM 1041 C CD2 . TYR A 1 130 ? 10.035 -4.587 15.276 1.00 82.69 130 A 1 ATOM 1042 C CE1 . TYR A 1 130 ? 12.224 -6.350 15.385 1.00 77.94 130 A 1 ATOM 1043 C CE2 . TYR A 1 130 ? 11.095 -4.452 14.360 1.00 79.54 130 A 1 ATOM 1044 C CZ . TYR A 1 130 ? 12.186 -5.336 14.410 1.00 79.08 130 A 1 ATOM 1045 O OH . TYR A 1 130 ? 13.200 -5.220 13.516 1.00 76.22 130 A 1 ATOM 1046 N N . GLN A 1 131 ? 7.461 -7.225 14.440 1.00 87.06 131 A 1 ATOM 1047 C CA . GLN A 1 131 ? 6.864 -7.050 13.121 1.00 87.51 131 A 1 ATOM 1048 C C . GLN A 1 131 ? 5.837 -8.147 12.840 1.00 87.17 131 A 1 ATOM 1049 O O . GLN A 1 131 ? 5.903 -9.247 13.387 1.00 86.60 131 A 1 ATOM 1050 C CB . GLN A 1 131 ? 7.948 -7.006 12.032 1.00 86.65 131 A 1 ATOM 1051 C CG . GLN A 1 131 ? 8.913 -5.835 12.208 1.00 82.23 131 A 1 ATOM 1052 C CD . GLN A 1 131 ? 9.959 -5.775 11.101 1.00 81.64 131 A 1 ATOM 1053 O OE1 . GLN A 1 131 ? 10.843 -6.611 10.996 1.00 75.13 131 A 1 ATOM 1054 N NE2 . GLN A 1 131 ? 9.908 -4.792 10.232 1.00 71.75 131 A 1 ATOM 1055 N N . LYS A 1 132 ? 4.889 -7.854 11.959 1.00 88.42 132 A 1 ATOM 1056 C CA . LYS A 1 132 ? 3.909 -8.807 11.447 1.00 88.08 132 A 1 ATOM 1057 C C . LYS A 1 132 ? 3.679 -8.580 9.958 1.00 87.77 132 A 1 ATOM 1058 O O . LYS A 1 132 ? 3.830 -7.475 9.449 1.00 85.31 132 A 1 ATOM 1059 C CB . LYS A 1 132 ? 2.602 -8.737 12.263 1.00 85.71 132 A 1 ATOM 1060 C CG . LYS A 1 132 ? 1.873 -7.396 12.113 1.00 85.47 132 A 1 ATOM 1061 C CD . LYS A 1 132 ? 0.586 -7.341 12.939 1.00 84.77 132 A 1 ATOM 1062 C CE . LYS A 1 132 ? -0.046 -5.980 12.656 1.00 80.83 132 A 1 ATOM 1063 N NZ . LYS A 1 132 ? -1.324 -5.754 13.360 1.00 75.11 132 A 1 ATOM 1064 N N . TRP A 1 133 ? 3.263 -9.642 9.285 1.00 84.93 133 A 1 ATOM 1065 C CA . TRP A 1 133 ? 2.801 -9.579 7.908 1.00 83.76 133 A 1 ATOM 1066 C C . TRP A 1 133 ? 1.297 -9.826 7.896 1.00 83.45 133 A 1 ATOM 1067 O O . TRP A 1 133 ? 0.849 -10.941 8.154 1.00 79.34 133 A 1 ATOM 1068 C CB . TRP A 1 133 ? 3.570 -10.590 7.071 1.00 81.13 133 A 1 ATOM 1069 C CG . TRP A 1 133 ? 3.287 -10.468 5.608 1.00 76.62 133 A 1 ATOM 1070 C CD1 . TRP A 1 133 ? 2.399 -11.205 4.911 1.00 71.35 133 A 1 ATOM 1071 C CD2 . TRP A 1 133 ? 3.882 -9.536 4.655 1.00 74.88 133 A 1 ATOM 1072 N NE1 . TRP A 1 133 ? 2.412 -10.806 3.587 1.00 66.98 133 A 1 ATOM 1073 C CE2 . TRP A 1 133 ? 3.316 -9.787 3.372 1.00 70.88 133 A 1 ATOM 1074 C CE3 . TRP A 1 133 ? 4.849 -8.514 4.745 1.00 66.84 133 A 1 ATOM 1075 C CZ2 . TRP A 1 133 ? 3.699 -9.072 2.230 1.00 67.37 133 A 1 ATOM 1076 C CZ3 . TRP A 1 133 ? 5.241 -7.790 3.605 1.00 66.37 133 A 1 ATOM 1077 C CH2 . TRP A 1 133 ? 4.675 -8.069 2.347 1.00 65.82 133 A 1 ATOM 1078 N N . SER A 1 134 ? 0.518 -8.774 7.681 1.00 83.57 134 A 1 ATOM 1079 C CA . SER A 1 134 ? -0.941 -8.815 7.824 1.00 82.64 134 A 1 ATOM 1080 C C . SER A 1 134 ? -1.677 -9.225 6.549 1.00 83.91 134 A 1 ATOM 1081 O O . SER A 1 134 ? -2.773 -9.776 6.637 1.00 79.90 134 A 1 ATOM 1082 C CB . SER A 1 134 ? -1.452 -7.453 8.305 1.00 78.77 134 A 1 ATOM 1083 O OG . SER A 1 134 ? -0.985 -6.420 7.466 1.00 73.05 134 A 1 ATOM 1084 N N . SER A 1 135 ? -1.089 -8.982 5.377 1.00 86.58 135 A 1 ATOM 1085 C CA . SER A 1 135 ? -1.735 -9.214 4.085 1.00 87.96 135 A 1 ATOM 1086 C C . SER A 1 135 ? -0.719 -9.404 2.959 1.00 89.49 135 A 1 ATOM 1087 O O . SER A 1 135 ? 0.456 -9.057 3.092 1.00 88.43 135 A 1 ATOM 1088 C CB . SER A 1 135 ? -2.676 -8.047 3.762 1.00 85.48 135 A 1 ATOM 1089 O OG . SER A 1 135 ? -1.980 -6.820 3.719 1.00 78.88 135 A 1 ATOM 1090 N N . ALA A 1 136 ? -1.174 -9.950 1.835 1.00 89.88 136 A 1 ATOM 1091 C CA . ALA A 1 136 ? -0.407 -9.907 0.598 1.00 91.17 136 A 1 ATOM 1092 C C . ALA A 1 136 ? -0.227 -8.449 0.147 1.00 92.03 136 A 1 ATOM 1093 O O . ALA A 1 136 ? -1.123 -7.623 0.317 1.00 91.42 136 A 1 ATOM 1094 C CB . ALA A 1 136 ? -1.100 -10.762 -0.470 1.00 90.81 136 A 1 ATOM 1095 N N . VAL A 1 137 ? 0.921 -8.141 -0.447 1.00 92.62 137 A 1 ATOM 1096 C CA . VAL A 1 137 ? 1.240 -6.804 -0.963 1.00 93.29 137 A 1 ATOM 1097 C C . VAL A 1 137 ? 1.549 -6.907 -2.447 1.00 93.94 137 A 1 ATOM 1098 O O . VAL A 1 137 ? 2.410 -7.684 -2.862 1.00 93.52 137 A 1 ATOM 1099 C CB . VAL A 1 137 ? 2.393 -6.148 -0.180 1.00 92.48 137 A 1 ATOM 1100 C CG1 . VAL A 1 137 ? 2.750 -4.768 -0.749 1.00 89.87 137 A 1 ATOM 1101 C CG2 . VAL A 1 137 ? 2.012 -5.951 1.296 1.00 90.02 137 A 1 ATOM 1102 N N . MET A 1 138 ? 0.849 -6.115 -3.250 1.00 95.15 138 A 1 ATOM 1103 C CA . MET A 1 138 ? 1.158 -5.932 -4.661 1.00 95.80 138 A 1 ATOM 1104 C C . MET A 1 138 ? 1.984 -4.663 -4.839 1.00 96.15 138 A 1 ATOM 1105 O O . MET A 1 138 ? 1.533 -3.577 -4.498 1.00 95.98 138 A 1 ATOM 1106 C CB . MET A 1 138 ? -0.130 -5.908 -5.492 1.00 95.61 138 A 1 ATOM 1107 C CG . MET A 1 138 ? 0.176 -5.813 -6.990 1.00 93.67 138 A 1 ATOM 1108 S SD . MET A 1 138 ? -1.274 -5.973 -8.068 1.00 92.25 138 A 1 ATOM 1109 C CE . MET A 1 138 ? -1.636 -7.734 -7.890 1.00 84.81 138 A 1 ATOM 1110 N N . ALA A 1 139 ? 3.180 -4.803 -5.402 1.00 96.10 139 A 1 ATOM 1111 C CA . ALA A 1 139 ? 3.973 -3.681 -5.876 1.00 96.37 139 A 1 ATOM 1112 C C . ALA A 1 139 ? 3.619 -3.394 -7.340 1.00 96.97 139 A 1 ATOM 1113 O O . ALA A 1 139 ? 3.728 -4.275 -8.199 1.00 96.81 139 A 1 ATOM 1114 C CB . ALA A 1 139 ? 5.461 -3.989 -5.672 1.00 95.60 139 A 1 ATOM 1115 N N . VAL A 1 140 ? 3.214 -2.159 -7.607 1.00 96.83 140 A 1 ATOM 1116 C CA . VAL A 1 140 ? 2.988 -1.599 -8.940 1.00 97.24 140 A 1 ATOM 1117 C C . VAL A 1 140 ? 4.151 -0.666 -9.228 1.00 97.36 140 A 1 ATOM 1118 O O . VAL A 1 140 ? 4.321 0.340 -8.543 1.00 97.05 140 A 1 ATOM 1119 C CB . VAL A 1 140 ? 1.644 -0.853 -9.015 1.00 97.24 140 A 1 ATOM 1120 C CG1 . VAL A 1 140 ? 1.357 -0.422 -10.455 1.00 95.75 140 A 1 ATOM 1121 C CG2 . VAL A 1 140 ? 0.486 -1.727 -8.515 1.00 95.64 140 A 1 ATOM 1122 N N . LYS A 1 141 ? 4.985 -1.023 -10.198 1.00 97.15 141 A 1 ATOM 1123 C CA . LYS A 1 141 ? 6.220 -0.306 -10.529 1.00 97.22 141 A 1 ATOM 1124 C C . LYS A 1 141 ? 6.134 0.273 -11.936 1.00 97.09 141 A 1 ATOM 1125 O O . LYS A 1 141 ? 6.039 -0.487 -12.896 1.00 96.79 141 A 1 ATOM 1126 C CB . LYS A 1 141 ? 7.405 -1.263 -10.358 1.00 96.78 141 A 1 ATOM 1127 C CG . LYS A 1 141 ? 8.738 -0.636 -10.789 1.00 95.15 141 A 1 ATOM 1128 C CD . LYS A 1 141 ? 9.851 -1.684 -10.702 1.00 93.27 141 A 1 ATOM 1129 C CE . LYS A 1 141 ? 11.111 -1.149 -11.387 1.00 86.70 141 A 1 ATOM 1130 N NZ . LYS A 1 141 ? 11.858 -2.248 -12.048 1.00 80.98 141 A 1 ATOM 1131 N N . LEU A 1 142 ? 6.224 1.587 -12.045 1.00 96.62 142 A 1 ATOM 1132 C CA . LEU A 1 142 ? 6.437 2.269 -13.318 1.00 96.10 142 A 1 ATOM 1133 C C . LEU A 1 142 ? 7.937 2.247 -13.638 1.00 95.61 142 A 1 ATOM 1134 O O . LEU A 1 142 ? 8.758 2.674 -12.830 1.00 94.98 142 A 1 ATOM 1135 C CB . LEU A 1 142 ? 5.865 3.690 -13.234 1.00 95.99 142 A 1 ATOM 1136 C CG . LEU A 1 142 ? 5.877 4.442 -14.575 1.00 92.88 142 A 1 ATOM 1137 C CD1 . LEU A 1 142 ? 4.944 3.793 -15.607 1.00 89.70 142 A 1 ATOM 1138 C CD2 . LEU A 1 142 ? 5.403 5.877 -14.350 1.00 91.14 142 A 1 ATOM 1139 N N . VAL A 1 143 ? 8.284 1.676 -14.787 1.00 95.47 143 A 1 ATOM 1140 C CA . VAL A 1 143 ? 9.669 1.484 -15.224 1.00 94.18 143 A 1 ATOM 1141 C C . VAL A 1 143 ? 10.106 2.693 -16.040 1.00 93.35 143 A 1 ATOM 1142 O O . VAL A 1 143 ? 9.430 3.084 -16.988 1.00 91.76 143 A 1 ATOM 1143 C CB . VAL A 1 143 ? 9.826 0.176 -16.022 1.00 93.32 143 A 1 ATOM 1144 C CG1 . VAL A 1 143 ? 11.283 -0.069 -16.432 1.00 89.87 143 A 1 ATOM 1145 C CG2 . VAL A 1 143 ? 9.371 -1.040 -15.193 1.00 90.42 143 A 1 ATOM 1146 N N . HIS A 1 144 ? 11.261 3.250 -15.683 1.00 93.10 144 A 1 ATOM 1147 C CA . HIS A 1 144 ? 11.922 4.325 -16.419 1.00 91.03 144 A 1 ATOM 1148 C C . HIS A 1 144 ? 13.270 3.839 -16.966 1.00 90.82 144 A 1 ATOM 1149 O O . HIS A 1 144 ? 13.851 2.889 -16.442 1.00 89.06 144 A 1 ATOM 1150 C CB . HIS A 1 144 ? 12.098 5.539 -15.501 1.00 89.58 144 A 1 ATOM 1151 C CG . HIS A 1 144 ? 10.803 6.126 -15.005 1.00 87.83 144 A 1 ATOM 1152 N ND1 . HIS A 1 144 ? 10.012 7.033 -15.689 1.00 78.40 144 A 1 ATOM 1153 C CD2 . HIS A 1 144 ? 10.218 5.891 -13.797 1.00 77.27 144 A 1 ATOM 1154 C CE1 . HIS A 1 144 ? 8.981 7.342 -14.888 1.00 78.50 144 A 1 ATOM 1155 N NE2 . HIS A 1 144 ? 9.067 6.669 -13.735 1.00 79.95 144 A 1 ATOM 1156 N N . ASP A 1 145 ? 13.810 4.537 -17.975 1.00 90.29 145 A 1 ATOM 1157 C CA . ASP A 1 145 ? 15.115 4.207 -18.578 1.00 89.74 145 A 1 ATOM 1158 C C . ASP A 1 145 ? 16.253 4.207 -17.547 1.00 90.80 145 A 1 ATOM 1159 O O . ASP A 1 145 ? 17.163 3.381 -17.597 1.00 87.68 145 A 1 ATOM 1160 C CB . ASP A 1 145 ? 15.454 5.234 -19.673 1.00 87.92 145 A 1 ATOM 1161 C CG . ASP A 1 145 ? 14.462 5.261 -20.836 1.00 81.90 145 A 1 ATOM 1162 O OD1 . ASP A 1 145 ? 13.804 4.227 -21.076 1.00 77.29 145 A 1 ATOM 1163 O OD2 . ASP A 1 145 ? 14.364 6.340 -21.457 1.00 77.18 145 A 1 ATOM 1164 N N . ASN A 1 146 ? 16.191 5.117 -16.573 1.00 90.87 146 A 1 ATOM 1165 C CA . ASN A 1 146 ? 17.077 5.106 -15.422 1.00 91.35 146 A 1 ATOM 1166 C C . ASN A 1 146 ? 16.408 4.364 -14.248 1.00 91.13 146 A 1 ATOM 1167 O O . ASN A 1 146 ? 15.435 4.881 -13.693 1.00 90.37 146 A 1 ATOM 1168 C CB . ASN A 1 146 ? 17.474 6.553 -15.073 1.00 90.94 146 A 1 ATOM 1169 C CG . ASN A 1 146 ? 18.460 6.631 -13.923 1.00 89.42 146 A 1 ATOM 1170 O OD1 . ASN A 1 146 ? 18.757 5.672 -13.222 1.00 84.49 146 A 1 ATOM 1171 N ND2 . ASN A 1 146 ? 19.017 7.793 -13.678 1.00 84.35 146 A 1 ATOM 1172 N N . PRO A 1 147 ? 16.950 3.211 -13.797 1.00 89.01 147 A 1 ATOM 1173 C CA . PRO A 1 147 ? 16.381 2.451 -12.680 1.00 89.05 147 A 1 ATOM 1174 C C . PRO A 1 147 ? 16.225 3.240 -11.369 1.00 90.31 147 A 1 ATOM 1175 O O . PRO A 1 147 ? 15.354 2.905 -10.568 1.00 88.38 147 A 1 ATOM 1176 C CB . PRO A 1 147 ? 17.324 1.264 -12.482 1.00 87.92 147 A 1 ATOM 1177 C CG . PRO A 1 147 ? 17.928 1.057 -13.867 1.00 86.75 147 A 1 ATOM 1178 C CD . PRO A 1 147 ? 18.055 2.481 -14.395 1.00 89.94 147 A 1 ATOM 1179 N N . MET A 1 148 ? 17.030 4.281 -11.158 1.00 90.61 148 A 1 ATOM 1180 C CA . MET A 1 148 ? 16.910 5.171 -9.993 1.00 89.84 148 A 1 ATOM 1181 C C . MET A 1 148 ? 15.637 6.026 -10.019 1.00 90.10 148 A 1 ATOM 1182 O O . MET A 1 148 ? 15.234 6.539 -8.976 1.00 88.50 148 A 1 ATOM 1183 C CB . MET A 1 148 ? 18.138 6.098 -9.913 1.00 88.87 148 A 1 ATOM 1184 C CG . MET A 1 148 ? 19.437 5.352 -9.594 1.00 77.90 148 A 1 ATOM 1185 S SD . MET A 1 148 ? 19.489 4.530 -7.978 1.00 71.38 148 A 1 ATOM 1186 C CE . MET A 1 148 ? 19.307 5.936 -6.853 1.00 61.46 148 A 1 ATOM 1187 N N . MET A 1 149 ? 15.021 6.180 -11.190 1.00 91.01 149 A 1 ATOM 1188 C CA . MET A 1 149 ? 13.776 6.928 -11.371 1.00 90.46 149 A 1 ATOM 1189 C C . MET A 1 149 ? 12.533 6.034 -11.321 1.00 91.57 149 A 1 ATOM 1190 O O . MET A 1 149 ? 11.429 6.532 -11.496 1.00 90.34 149 A 1 ATOM 1191 C CB . MET A 1 149 ? 13.825 7.706 -12.699 1.00 88.69 149 A 1 ATOM 1192 C CG . MET A 1 149 ? 14.954 8.737 -12.762 1.00 82.65 149 A 1 ATOM 1193 S SD . MET A 1 149 ? 14.828 10.060 -11.529 1.00 73.36 149 A 1 ATOM 1194 C CE . MET A 1 149 ? 16.152 11.142 -12.104 1.00 64.20 149 A 1 ATOM 1195 N N . ASN A 1 150 ? 12.698 4.728 -11.116 1.00 92.80 150 A 1 ATOM 1196 C CA . ASN A 1 150 ? 11.557 3.822 -11.033 1.00 93.34 150 A 1 ATOM 1197 C C . ASN A 1 150 ? 10.632 4.230 -9.884 1.00 93.87 150 A 1 ATOM 1198 O O . ASN A 1 150 ? 11.047 4.277 -8.721 1.00 92.85 150 A 1 ATOM 1199 C CB . ASN A 1 150 ? 12.026 2.377 -10.841 1.00 92.53 150 A 1 ATOM 1200 C CG . ASN A 1 150 ? 12.658 1.777 -12.077 1.00 92.05 150 A 1 ATOM 1201 O OD1 . ASN A 1 150 ? 12.349 2.088 -13.208 1.00 87.52 150 A 1 ATOM 1202 N ND2 . ASN A 1 150 ? 13.532 0.816 -11.905 1.00 87.45 150 A 1 ATOM 1203 N N . ASP A 1 151 ? 9.368 4.433 -10.218 1.00 95.78 151 A 1 ATOM 1204 C CA . ASP A 1 151 ? 8.338 4.745 -9.241 1.00 96.11 151 A 1 ATOM 1205 C C . ASP A 1 151 ? 7.642 3.464 -8.790 1.00 96.78 151 A 1 ATOM 1206 O O . ASP A 1 151 ? 7.344 2.584 -9.598 1.00 96.46 151 A 1 ATOM 1207 C CB . ASP A 1 151 ? 7.354 5.742 -9.850 1.00 95.11 151 A 1 ATOM 1208 C CG . ASP A 1 151 ? 7.932 7.150 -9.975 1.00 91.74 151 A 1 ATOM 1209 O OD1 . ASP A 1 151 ? 8.572 7.603 -8.993 1.00 88.34 151 A 1 ATOM 1210 O OD2 . ASP A 1 151 ? 7.644 7.803 -10.999 1.00 87.93 151 A 1 ATOM 1211 N N . VAL A 1 152 ? 7.379 3.338 -7.495 1.00 96.76 152 A 1 ATOM 1212 C CA . VAL A 1 152 ? 6.727 2.155 -6.921 1.00 96.95 152 A 1 ATOM 1213 C C . VAL A 1 152 ? 5.606 2.581 -5.986 1.00 97.06 152 A 1 ATOM 1214 O O . VAL A 1 152 ? 5.805 3.424 -5.115 1.00 96.48 152 A 1 ATOM 1215 C CB . VAL A 1 152 ? 7.727 1.229 -6.202 1.00 96.30 152 A 1 ATOM 1216 C CG1 . VAL A 1 152 ? 7.053 -0.056 -5.699 1.00 93.74 152 A 1 ATOM 1217 C CG2 . VAL A 1 152 ? 8.881 0.802 -7.120 1.00 93.77 152 A 1 ATOM 1218 N N . ILE A 1 153 ? 4.449 1.953 -6.147 1.00 97.33 153 A 1 ATOM 1219 C CA . ILE A 1 153 ? 3.318 2.016 -5.217 1.00 97.18 153 A 1 ATOM 1220 C C . ILE A 1 153 ? 3.056 0.613 -4.688 1.00 97.35 153 A 1 ATOM 1221 O O . ILE A 1 153 ? 3.067 -0.358 -5.445 1.00 96.78 153 A 1 ATOM 1222 C CB . ILE A 1 153 ? 2.079 2.619 -5.914 1.00 95.40 153 A 1 ATOM 1223 C CG1 . ILE A 1 153 ? 2.306 4.129 -6.128 1.00 88.78 153 A 1 ATOM 1224 C CG2 . ILE A 1 153 ? 0.787 2.384 -5.104 1.00 88.81 153 A 1 ATOM 1225 C CD1 . ILE A 1 153 ? 1.262 4.780 -7.027 1.00 86.51 153 A 1 ATOM 1226 N N . THR A 1 154 ? 2.771 0.503 -3.401 1.00 96.62 154 A 1 ATOM 1227 C CA . THR A 1 154 ? 2.364 -0.745 -2.758 1.00 96.09 154 A 1 ATOM 1228 C C . THR A 1 154 ? 0.876 -0.727 -2.417 1.00 96.09 154 A 1 ATOM 1229 O O . THR A 1 154 ? 0.336 0.238 -1.877 1.00 95.52 154 A 1 ATOM 1230 C CB . THR A 1 154 ? 3.228 -1.073 -1.534 1.00 95.01 154 A 1 ATOM 1231 O OG1 . THR A 1 154 ? 3.108 -0.107 -0.523 1.00 90.89 154 A 1 ATOM 1232 C CG2 . THR A 1 154 ? 4.708 -1.199 -1.908 1.00 90.01 154 A 1 ATOM 1233 N N . LEU A 1 155 ? 0.190 -1.814 -2.752 1.00 95.32 155 A 1 ATOM 1234 C CA . LEU A 1 155 ? -1.218 -2.034 -2.449 1.00 95.12 155 A 1 ATOM 1235 C C . LEU A 1 155 ? -1.332 -3.269 -1.554 1.00 94.79 155 A 1 ATOM 1236 O O . LEU A 1 155 ? -0.923 -4.363 -1.949 1.00 94.22 155 A 1 ATOM 1237 C CB . LEU A 1 155 ? -2.026 -2.196 -3.750 1.00 95.47 155 A 1 ATOM 1238 C CG . LEU A 1 155 ? -1.886 -1.049 -4.774 1.00 95.40 155 A 1 ATOM 1239 C CD1 . LEU A 1 155 ? -2.698 -1.383 -6.021 1.00 94.19 155 A 1 ATOM 1240 C CD2 . LEU A 1 155 ? -2.372 0.293 -4.234 1.00 94.54 155 A 1 ATOM 1241 N N . ARG A 1 156 ? -1.875 -3.109 -0.356 1.00 93.88 156 A 1 ATOM 1242 C CA . ARG A 1 156 ? -2.212 -4.227 0.538 1.00 92.79 156 A 1 ATOM 1243 C C . ARG A 1 156 ? -3.487 -4.892 0.066 1.00 92.73 156 A 1 ATOM 1244 O O . ARG A 1 156 ? -4.445 -4.213 -0.288 1.00 91.30 156 A 1 ATOM 1245 C CB . ARG A 1 156 ? -2.368 -3.752 1.977 1.00 91.35 156 A 1 ATOM 1246 C CG . ARG A 1 156 ? -1.005 -3.428 2.584 1.00 83.50 156 A 1 ATOM 1247 C CD . ARG A 1 156 ? -1.164 -3.060 4.059 1.00 81.33 156 A 1 ATOM 1248 N NE . ARG A 1 156 ? 0.174 -2.872 4.614 1.00 74.63 156 A 1 ATOM 1249 C CZ . ARG A 1 156 ? 0.882 -1.763 4.577 1.00 68.60 156 A 1 ATOM 1250 N NH1 . ARG A 1 156 ? 0.387 -0.589 4.289 1.00 61.13 156 A 1 ATOM 1251 N NH2 . ARG A 1 156 ? 2.143 -1.836 4.805 1.00 59.28 156 A 1 ATOM 1252 N N . LEU A 1 157 ? -3.482 -6.212 0.064 1.00 92.14 157 A 1 ATOM 1253 C CA . LEU A 1 157 ? -4.585 -7.025 -0.438 1.00 92.37 157 A 1 ATOM 1254 C C . LEU A 1 157 ? -4.987 -8.054 0.633 1.00 91.59 157 A 1 ATOM 1255 O O . LEU A 1 157 ? -4.574 -9.218 0.558 1.00 90.04 157 A 1 ATOM 1256 C CB . LEU A 1 157 ? -4.166 -7.676 -1.766 1.00 92.89 157 A 1 ATOM 1257 C CG . LEU A 1 157 ? -3.682 -6.713 -2.871 1.00 93.09 157 A 1 ATOM 1258 C CD1 . LEU A 1 157 ? -3.261 -7.528 -4.093 1.00 91.77 157 A 1 ATOM 1259 C CD2 . LEU A 1 157 ? -4.754 -5.727 -3.316 1.00 92.04 157 A 1 ATOM 1260 N N . PRO A 1 158 ? -5.747 -7.654 1.663 1.00 89.39 158 A 1 ATOM 1261 C CA . PRO A 1 158 ? -6.067 -8.523 2.799 1.00 87.28 158 A 1 ATOM 1262 C C . PRO A 1 158 ? -6.909 -9.748 2.413 1.00 86.15 158 A 1 ATOM 1263 O O . PRO A 1 158 ? -6.776 -10.803 3.036 1.00 80.96 158 A 1 ATOM 1264 C CB . PRO A 1 158 ? -6.794 -7.618 3.804 1.00 85.37 158 A 1 ATOM 1265 C CG . PRO A 1 158 ? -7.373 -6.495 2.946 1.00 84.80 158 A 1 ATOM 1266 C CD . PRO A 1 158 ? -6.313 -6.321 1.866 1.00 88.06 158 A 1 ATOM 1267 N N . GLY A 1 159 ? -7.723 -9.651 1.359 1.00 84.48 159 A 1 ATOM 1268 C CA . GLY A 1 159 ? -8.515 -10.764 0.827 1.00 82.96 159 A 1 ATOM 1269 C C . GLY A 1 159 ? -7.713 -11.778 0.002 1.00 84.37 159 A 1 ATOM 1270 O O . GLY A 1 159 ? -8.192 -12.881 -0.270 1.00 82.05 159 A 1 ATOM 1271 N N . VAL A 1 160 ? -6.480 -11.449 -0.377 1.00 85.70 160 A 1 ATOM 1272 C CA . VAL A 1 160 ? -5.675 -12.221 -1.325 1.00 87.49 160 A 1 ATOM 1273 C C . VAL A 1 160 ? -4.692 -13.135 -0.599 1.00 87.01 160 A 1 ATOM 1274 O O . VAL A 1 160 ? -3.884 -12.710 0.228 1.00 85.49 160 A 1 ATOM 1275 C CB . VAL A 1 160 ? -4.971 -11.292 -2.329 1.00 87.95 160 A 1 ATOM 1276 C CG1 . VAL A 1 160 ? -4.095 -12.069 -3.314 1.00 84.85 160 A 1 ATOM 1277 C CG2 . VAL A 1 160 ? -6.006 -10.516 -3.151 1.00 85.95 160 A 1 ATOM 1278 N N . SER A 1 161 ? -4.712 -14.422 -0.947 1.00 87.03 161 A 1 ATOM 1279 C CA . SER A 1 161 ? -3.736 -15.385 -0.439 1.00 85.91 161 A 1 ATOM 1280 C C . SER A 1 161 ? -3.345 -16.404 -1.505 1.00 85.75 161 A 1 ATOM 1281 O O . SER A 1 161 ? -4.137 -16.744 -2.382 1.00 83.86 161 A 1 ATOM 1282 C CB . SER A 1 161 ? -4.259 -16.080 0.820 1.00 82.49 161 A 1 ATOM 1283 O OG . SER A 1 161 ? -5.239 -17.045 0.492 1.00 73.33 161 A 1 ATOM 1284 N N . LYS A 1 162 ? -2.122 -16.937 -1.414 1.00 84.58 162 A 1 ATOM 1285 C CA . LYS A 1 162 ? -1.549 -17.864 -2.407 1.00 82.63 162 A 1 ATOM 1286 C C . LYS A 1 162 ? -2.377 -19.143 -2.614 1.00 80.59 162 A 1 ATOM 1287 O O . LYS A 1 162 ? -2.362 -19.703 -3.703 1.00 75.14 162 A 1 ATOM 1288 C CB . LYS A 1 162 ? -0.111 -18.189 -1.982 1.00 80.25 162 A 1 ATOM 1289 C CG . LYS A 1 162 ? 0.667 -18.949 -3.062 1.00 74.29 162 A 1 ATOM 1290 C CD . LYS A 1 162 ? 2.120 -19.176 -2.630 1.00 72.96 162 A 1 ATOM 1291 C CE . LYS A 1 162 ? 2.867 -19.962 -3.710 1.00 67.39 162 A 1 ATOM 1292 N NZ . LYS A 1 162 ? 4.273 -20.238 -3.312 1.00 58.98 162 A 1 ATOM 1293 N N . ASN A 1 163 ? -3.090 -19.589 -1.587 1.00 80.55 163 A 1 ATOM 1294 C CA . ASN A 1 163 ? -3.807 -20.869 -1.575 1.00 76.68 163 A 1 ATOM 1295 C C . ASN A 1 163 ? -5.331 -20.723 -1.756 1.00 74.91 163 A 1 ATOM 1296 O O . ASN A 1 163 ? -6.067 -21.679 -1.522 1.00 69.61 163 A 1 ATOM 1297 C CB . ASN A 1 163 ? -3.449 -21.620 -0.276 1.00 73.22 163 A 1 ATOM 1298 C CG . ASN A 1 163 ? -1.969 -21.920 -0.115 1.00 67.58 163 A 1 ATOM 1299 O OD1 . ASN A 1 163 ? -1.175 -21.908 -1.039 1.00 62.43 163 A 1 ATOM 1300 N ND2 . ASN A 1 163 ? -1.533 -22.184 1.096 1.00 61.21 163 A 1 ATOM 1301 N N . ARG A 1 164 ? -5.823 -19.540 -2.119 1.00 77.37 164 A 1 ATOM 1302 C CA . ARG A 1 164 ? -7.251 -19.272 -2.340 1.00 74.56 164 A 1 ATOM 1303 C C . ARG A 1 164 ? -7.536 -18.973 -3.813 1.00 77.21 164 A 1 ATOM 1304 O O . ARG A 1 164 ? -6.633 -18.651 -4.573 1.00 71.04 164 A 1 ATOM 1305 C CB . ARG A 1 164 ? -7.724 -18.125 -1.428 1.00 67.79 164 A 1 ATOM 1306 C CG . ARG A 1 164 ? -7.776 -18.528 0.051 1.00 60.20 164 A 1 ATOM 1307 C CD . ARG A 1 164 ? -8.412 -17.402 0.879 1.00 56.39 164 A 1 ATOM 1308 N NE . ARG A 1 164 ? -8.465 -17.727 2.316 1.00 50.64 164 A 1 ATOM 1309 C CZ . ARG A 1 164 ? -9.060 -17.006 3.252 1.00 45.08 164 A 1 ATOM 1310 N NH1 . ARG A 1 164 ? -9.687 -15.890 2.977 1.00 41.99 164 A 1 ATOM 1311 N NH2 . ARG A 1 164 ? -9.038 -17.387 4.501 1.00 39.19 164 A 1 ATOM 1312 N N . ALA A 1 165 ? -8.805 -19.015 -4.177 1.00 71.14 165 A 1 ATOM 1313 C CA . ALA A 1 165 ? -9.269 -18.636 -5.516 1.00 71.08 165 A 1 ATOM 1314 C C . ALA A 1 165 ? -8.900 -17.190 -5.910 1.00 74.09 165 A 1 ATOM 1315 O O . ALA A 1 165 ? -8.811 -16.883 -7.093 1.00 69.32 165 A 1 ATOM 1316 C CB . ALA A 1 165 ? -10.786 -18.857 -5.564 1.00 66.52 165 A 1 ATOM 1317 N N . SER A 1 166 ? -8.636 -16.332 -4.925 1.00 76.29 166 A 1 ATOM 1318 C CA . SER A 1 166 ? -8.166 -14.957 -5.117 1.00 75.60 166 A 1 ATOM 1319 C C . SER A 1 166 ? -6.666 -14.839 -5.430 1.00 79.72 166 A 1 ATOM 1320 O O . SER A 1 166 ? -6.156 -13.730 -5.546 1.00 76.63 166 A 1 ATOM 1321 C CB . SER A 1 166 ? -8.519 -14.123 -3.878 1.00 70.68 166 A 1 ATOM 1322 O OG . SER A 1 166 ? -7.913 -14.657 -2.712 1.00 63.44 166 A 1 ATOM 1323 N N . ALA A 1 167 ? -5.930 -15.951 -5.548 1.00 83.64 167 A 1 ATOM 1324 C CA . ALA A 1 167 ? -4.498 -15.908 -5.820 1.00 85.40 167 A 1 ATOM 1325 C C . ALA A 1 167 ? -4.187 -15.144 -7.116 1.00 88.19 167 A 1 ATOM 1326 O O . ALA A 1 167 ? -4.754 -15.414 -8.173 1.00 86.56 167 A 1 ATOM 1327 C CB . ALA A 1 167 ? -3.934 -17.332 -5.870 1.00 81.95 167 A 1 ATOM 1328 N N . VAL A 1 168 ? -3.230 -14.222 -7.038 1.00 89.80 168 A 1 ATOM 1329 C CA . VAL A 1 168 ? -2.761 -13.481 -8.217 1.00 91.34 168 A 1 ATOM 1330 C C . VAL A 1 168 ? -1.981 -14.431 -9.130 1.00 92.15 168 A 1 ATOM 1331 O O . VAL A 1 168 ? -0.994 -15.026 -8.686 1.00 91.81 168 A 1 ATOM 1332 C CB . VAL A 1 168 ? -1.898 -12.274 -7.813 1.00 91.42 168 A 1 ATOM 1333 C CG1 . VAL A 1 168 ? -1.425 -11.483 -9.039 1.00 88.91 168 A 1 ATOM 1334 C CG2 . VAL A 1 168 ? -2.667 -11.313 -6.898 1.00 89.17 168 A 1 ATOM 1335 N N . PRO A 1 169 ? -2.375 -14.587 -10.400 1.00 92.60 169 A 1 ATOM 1336 C CA . PRO A 1 169 ? -1.766 -15.558 -11.296 1.00 92.27 169 A 1 ATOM 1337 C C . PRO A 1 169 ? -0.323 -15.192 -11.676 1.00 92.66 169 A 1 ATOM 1338 O O . PRO A 1 169 ? 0.126 -14.044 -11.596 1.00 92.10 169 A 1 ATOM 1339 C CB . PRO A 1 169 ? -2.696 -15.631 -12.510 1.00 91.11 169 A 1 ATOM 1340 C CG . PRO A 1 169 ? -3.334 -14.247 -12.548 1.00 91.37 169 A 1 ATOM 1341 C CD . PRO A 1 169 ? -3.472 -13.901 -11.071 1.00 93.78 169 A 1 ATOM 1342 N N . ALA A 1 170 ? 0.424 -16.197 -12.134 1.00 92.62 170 A 1 ATOM 1343 C CA . ALA A 1 170 ? 1.726 -15.986 -12.747 1.00 92.35 170 A 1 ATOM 1344 C C . ALA A 1 170 ? 1.586 -15.433 -14.182 1.00 92.70 170 A 1 ATOM 1345 O O . ALA A 1 170 ? 0.558 -15.596 -14.838 1.00 91.45 170 A 1 ATOM 1346 C CB . ALA A 1 170 ? 2.516 -17.300 -12.704 1.00 90.79 170 A 1 ATOM 1347 N N . GLY A 1 171 ? 2.660 -14.804 -14.671 1.00 93.14 171 A 1 ATOM 1348 C CA . GLY A 1 171 ? 2.698 -14.209 -16.009 1.00 93.15 171 A 1 ATOM 1349 C C . GLY A 1 171 ? 2.226 -12.750 -16.039 1.00 94.01 171 A 1 ATOM 1350 O O . GLY A 1 171 ? 1.320 -12.355 -15.312 1.00 93.36 171 A 1 ATOM 1351 N N . LYS A 1 172 ? 2.880 -11.934 -16.872 1.00 93.73 172 A 1 ATOM 1352 C CA . LYS A 1 172 ? 2.631 -10.482 -16.938 1.00 94.00 172 A 1 ATOM 1353 C C . LYS A 1 172 ? 1.199 -10.173 -17.390 1.00 94.88 172 A 1 ATOM 1354 O O . LYS A 1 172 ? 0.508 -9.436 -16.701 1.00 94.46 172 A 1 ATOM 1355 C CB . LYS A 1 172 ? 3.670 -9.801 -17.853 1.00 93.33 172 A 1 ATOM 1356 C CG . LYS A 1 172 ? 5.117 -9.848 -17.322 1.00 91.77 172 A 1 ATOM 1357 C CD . LYS A 1 172 ? 6.061 -9.079 -18.269 1.00 89.46 172 A 1 ATOM 1358 C CE . LYS A 1 172 ? 7.523 -9.057 -17.804 1.00 86.37 172 A 1 ATOM 1359 N NZ . LYS A 1 172 ? 8.375 -8.238 -18.715 1.00 78.72 172 A 1 ATOM 1360 N N . LYS A 1 173 ? 0.749 -10.813 -18.474 1.00 93.77 173 A 1 ATOM 1361 C CA . LYS A 1 173 ? -0.601 -10.629 -19.030 1.00 93.81 173 A 1 ATOM 1362 C C . LYS A 1 173 ? -1.697 -11.070 -18.055 1.00 94.62 173 A 1 ATOM 1363 O O . LYS A 1 173 ? -2.575 -10.285 -17.735 1.00 94.38 173 A 1 ATOM 1364 C CB . LYS A 1 173 ? -0.701 -11.346 -20.386 1.00 93.07 173 A 1 ATOM 1365 C CG . LYS A 1 173 ? -2.078 -11.130 -21.027 1.00 86.81 173 A 1 ATOM 1366 C CD . LYS A 1 173 ? -2.170 -11.735 -22.436 1.00 83.41 173 A 1 ATOM 1367 C CE . LYS A 1 173 ? -3.602 -11.520 -22.931 1.00 76.35 173 A 1 ATOM 1368 N NZ . LYS A 1 173 ? -3.808 -11.996 -24.322 1.00 67.25 173 A 1 ATOM 1369 N N . ASN A 1 174 ? -1.585 -12.275 -17.504 1.00 94.32 174 A 1 ATOM 1370 C CA . ASN A 1 174 ? -2.575 -12.798 -16.551 1.00 94.36 174 A 1 ATOM 1371 C C . ASN A 1 174 ? -2.676 -11.921 -15.294 1.00 95.13 174 A 1 ATOM 1372 O O . ASN A 1 174 ? -3.749 -11.742 -14.734 1.00 94.87 174 A 1 ATOM 1373 C CB . ASN A 1 174 ? -2.180 -14.221 -16.139 1.00 93.70 174 A 1 ATOM 1374 C CG . ASN A 1 174 ? -2.085 -15.223 -17.273 1.00 91.69 174 A 1 ATOM 1375 O OD1 . ASN A 1 174 ? -2.452 -14.992 -18.407 1.00 86.67 174 A 1 ATOM 1376 N ND2 . ASN A 1 174 ? -1.538 -16.383 -16.998 1.00 85.47 174 A 1 ATOM 1377 N N . ARG A 1 175 ? -1.540 -11.373 -14.833 1.00 95.44 175 A 1 ATOM 1378 C CA . ARG A 1 175 ? -1.513 -10.482 -13.667 1.00 95.68 175 A 1 ATOM 1379 C C . ARG A 1 175 ? -2.140 -9.118 -13.965 1.00 96.07 175 A 1 ATOM 1380 O O . ARG A 1 175 ? -2.806 -8.576 -13.090 1.00 95.75 175 A 1 ATOM 1381 C CB . ARG A 1 175 ? -0.070 -10.364 -13.169 1.00 94.82 175 A 1 ATOM 1382 C CG . ARG A 1 175 ? -0.016 -9.682 -11.801 1.00 89.03 175 A 1 ATOM 1383 C CD . ARG A 1 175 ? 1.406 -9.684 -11.241 1.00 88.65 175 A 1 ATOM 1384 N NE . ARG A 1 175 ? 1.898 -11.050 -10.979 1.00 82.97 175 A 1 ATOM 1385 C CZ . ARG A 1 175 ? 3.067 -11.558 -11.307 1.00 80.05 175 A 1 ATOM 1386 N NH1 . ARG A 1 175 ? 3.985 -10.854 -11.892 1.00 71.81 175 A 1 ATOM 1387 N NH2 . ARG A 1 175 ? 3.324 -12.798 -11.053 1.00 71.49 175 A 1 ATOM 1388 N N . GLN A 1 176 ? -1.945 -8.599 -15.173 1.00 96.09 176 A 1 ATOM 1389 C CA . GLN A 1 176 ? -2.642 -7.403 -15.664 1.00 96.18 176 A 1 ATOM 1390 C C . GLN A 1 176 ? -4.162 -7.618 -15.672 1.00 96.39 176 A 1 ATOM 1391 O O . GLN A 1 176 ? -4.894 -6.844 -15.064 1.00 95.97 176 A 1 ATOM 1392 C CB . GLN A 1 176 ? -2.129 -7.086 -17.071 1.00 95.37 176 A 1 ATOM 1393 C CG . GLN A 1 176 ? -2.868 -5.940 -17.771 1.00 91.81 176 A 1 ATOM 1394 C CD . GLN A 1 176 ? -2.331 -4.569 -17.431 1.00 91.46 176 A 1 ATOM 1395 O OE1 . GLN A 1 176 ? -1.229 -4.402 -16.922 1.00 85.23 176 A 1 ATOM 1396 N NE2 . GLN A 1 176 ? -3.061 -3.530 -17.756 1.00 82.08 176 A 1 ATOM 1397 N N . GLU A 1 177 ? -4.625 -8.705 -16.286 1.00 95.44 177 A 1 ATOM 1398 C CA . GLU A 1 177 ? -6.050 -9.048 -16.356 1.00 95.03 177 A 1 ATOM 1399 C C . GLU A 1 177 ? -6.658 -9.231 -14.960 1.00 95.25 177 A 1 ATOM 1400 O O . GLU A 1 177 ? -7.751 -8.741 -14.674 1.00 94.72 177 A 1 ATOM 1401 C CB . GLU A 1 177 ? -6.224 -10.346 -17.167 1.00 94.56 177 A 1 ATOM 1402 C CG . GLU A 1 177 ? -5.932 -10.177 -18.668 1.00 88.75 177 A 1 ATOM 1403 C CD . GLU A 1 177 ? -5.934 -11.508 -19.447 1.00 85.99 177 A 1 ATOM 1404 O OE1 . GLU A 1 177 ? -5.585 -11.484 -20.651 1.00 78.73 177 A 1 ATOM 1405 O OE2 . GLU A 1 177 ? -6.246 -12.562 -18.845 1.00 80.04 177 A 1 ATOM 1406 N N . TRP A 1 178 ? -5.922 -9.900 -14.065 1.00 95.60 178 A 1 ATOM 1407 C CA . TRP A 1 178 ? -6.331 -10.035 -12.671 1.00 95.33 178 A 1 ATOM 1408 C C . TRP A 1 178 ? -6.455 -8.672 -11.990 1.00 95.50 178 A 1 ATOM 1409 O O . TRP A 1 178 ? -7.467 -8.407 -11.345 1.00 95.21 178 A 1 ATOM 1410 C CB . TRP A 1 178 ? -5.346 -10.938 -11.922 1.00 94.98 178 A 1 ATOM 1411 C CG . TRP A 1 178 ? -5.724 -11.217 -10.496 1.00 94.39 178 A 1 ATOM 1412 C CD1 . TRP A 1 178 ? -6.365 -12.323 -10.056 1.00 93.35 178 A 1 ATOM 1413 C CD2 . TRP A 1 178 ? -5.554 -10.363 -9.320 1.00 94.47 178 A 1 ATOM 1414 N NE1 . TRP A 1 178 ? -6.607 -12.214 -8.705 1.00 93.04 178 A 1 ATOM 1415 C CE2 . TRP A 1 178 ? -6.145 -11.018 -8.202 1.00 93.76 178 A 1 ATOM 1416 C CE3 . TRP A 1 178 ? -4.987 -9.095 -9.090 1.00 93.32 178 A 1 ATOM 1417 C CZ2 . TRP A 1 178 ? -6.194 -10.433 -6.928 1.00 91.96 178 A 1 ATOM 1418 C CZ3 . TRP A 1 178 ? -5.026 -8.496 -7.812 1.00 92.37 178 A 1 ATOM 1419 C CH2 . TRP A 1 178 ? -5.635 -9.160 -6.738 1.00 91.80 178 A 1 ATOM 1420 N N . PHE A 1 179 ? -5.457 -7.803 -12.139 1.00 96.08 179 A 1 ATOM 1421 C CA . PHE A 1 179 ? -5.474 -6.465 -11.552 1.00 96.25 179 A 1 ATOM 1422 C C . PHE A 1 179 ? -6.691 -5.672 -12.042 1.00 96.08 179 A 1 ATOM 1423 O O . PHE A 1 179 ? -7.473 -5.198 -11.230 1.00 95.74 179 A 1 ATOM 1424 C CB . PHE A 1 179 ? -4.155 -5.745 -11.865 1.00 96.57 179 A 1 ATOM 1425 C CG . PHE A 1 179 ? -4.053 -4.348 -11.285 1.00 97.10 179 A 1 ATOM 1426 C CD1 . PHE A 1 179 ? -4.639 -3.256 -11.948 1.00 96.44 179 A 1 ATOM 1427 C CD2 . PHE A 1 179 ? -3.375 -4.134 -10.070 1.00 96.62 179 A 1 ATOM 1428 C CE1 . PHE A 1 179 ? -4.556 -1.964 -11.396 1.00 96.29 179 A 1 ATOM 1429 C CE2 . PHE A 1 179 ? -3.287 -2.844 -9.523 1.00 96.29 179 A 1 ATOM 1430 C CZ . PHE A 1 179 ? -3.882 -1.756 -10.186 1.00 96.71 179 A 1 ATOM 1431 N N . GLU A 1 180 ? -6.898 -5.590 -13.346 1.00 95.97 180 A 1 ATOM 1432 C CA . GLU A 1 180 ? -8.016 -4.843 -13.934 1.00 95.70 180 A 1 ATOM 1433 C C . GLU A 1 180 ? -9.383 -5.349 -13.448 1.00 95.36 180 A 1 ATOM 1434 O O . GLU A 1 180 ? -10.301 -4.560 -13.269 1.00 94.53 180 A 1 ATOM 1435 C CB . GLU A 1 180 ? -7.936 -4.908 -15.469 1.00 95.79 180 A 1 ATOM 1436 C CG . GLU A 1 180 ? -6.761 -4.090 -16.041 1.00 94.76 180 A 1 ATOM 1437 C CD . GLU A 1 180 ? -6.678 -4.107 -17.584 1.00 94.06 180 A 1 ATOM 1438 O OE1 . GLU A 1 180 ? -5.948 -3.251 -18.147 1.00 88.84 180 A 1 ATOM 1439 O OE2 . GLU A 1 180 ? -7.357 -4.933 -18.230 1.00 89.84 180 A 1 ATOM 1440 N N . LYS A 1 181 ? -9.506 -6.651 -13.196 1.00 94.60 181 A 1 ATOM 1441 C CA . LYS A 1 181 ? -10.765 -7.280 -12.780 1.00 93.85 181 A 1 ATOM 1442 C C . LYS A 1 181 ? -11.030 -7.217 -11.272 1.00 93.80 181 A 1 ATOM 1443 O O . LYS A 1 181 ? -12.185 -7.138 -10.873 1.00 92.64 181 A 1 ATOM 1444 C CB . LYS A 1 181 ? -10.760 -8.720 -13.304 1.00 93.39 181 A 1 ATOM 1445 C CG . LYS A 1 181 ? -12.089 -9.433 -13.057 1.00 84.26 181 A 1 ATOM 1446 C CD . LYS A 1 181 ? -12.069 -10.829 -13.686 1.00 80.84 181 A 1 ATOM 1447 C CE . LYS A 1 181 ? -13.377 -11.542 -13.347 1.00 73.11 181 A 1 ATOM 1448 N NZ . LYS A 1 181 ? -13.341 -12.956 -13.792 1.00 65.09 181 A 1 ATOM 1449 N N . HIS A 1 182 ? -9.989 -7.324 -10.440 1.00 93.77 182 A 1 ATOM 1450 C CA . HIS A 1 182 ? -10.140 -7.608 -9.009 1.00 92.88 182 A 1 ATOM 1451 C C . HIS A 1 182 ? -9.609 -6.520 -8.072 1.00 92.83 182 A 1 ATOM 1452 O O . HIS A 1 182 ? -10.004 -6.497 -6.911 1.00 92.00 182 A 1 ATOM 1453 C CB . HIS A 1 182 ? -9.479 -8.961 -8.704 1.00 92.54 182 A 1 ATOM 1454 C CG . HIS A 1 182 ? -10.173 -10.122 -9.375 1.00 91.55 182 A 1 ATOM 1455 N ND1 . HIS A 1 182 ? -11.376 -10.646 -8.971 1.00 83.22 182 A 1 ATOM 1456 C CD2 . HIS A 1 182 ? -9.770 -10.844 -10.469 1.00 83.90 182 A 1 ATOM 1457 C CE1 . HIS A 1 182 ? -11.681 -11.662 -9.788 1.00 84.84 182 A 1 ATOM 1458 N NE2 . HIS A 1 182 ? -10.739 -11.821 -10.728 1.00 86.60 182 A 1 ATOM 1459 N N . ILE A 1 183 ? -8.739 -5.604 -8.535 1.00 93.94 183 A 1 ATOM 1460 C CA . ILE A 1 183 ? -8.036 -4.693 -7.622 1.00 93.92 183 A 1 ATOM 1461 C C . ILE A 1 183 ? -8.982 -3.816 -6.798 1.00 93.34 183 A 1 ATOM 1462 O O . ILE A 1 183 ? -8.720 -3.598 -5.621 1.00 92.98 183 A 1 ATOM 1463 C CB . ILE A 1 183 ? -6.996 -3.839 -8.376 1.00 94.17 183 A 1 ATOM 1464 C CG1 . ILE A 1 183 ? -5.992 -3.150 -7.435 1.00 92.28 183 A 1 ATOM 1465 C CG2 . ILE A 1 183 ? -7.648 -2.781 -9.286 1.00 92.57 183 A 1 ATOM 1466 C CD1 . ILE A 1 183 ? -5.179 -4.130 -6.566 1.00 90.59 183 A 1 ATOM 1467 N N . ASP A 1 184 ? -10.087 -3.359 -7.375 1.00 92.71 184 A 1 ATOM 1468 C CA . ASP A 1 184 ? -11.061 -2.527 -6.663 1.00 91.69 184 A 1 ATOM 1469 C C . ASP A 1 184 ? -11.660 -3.244 -5.456 1.00 90.17 184 A 1 ATOM 1470 O O . ASP A 1 184 ? -11.713 -2.690 -4.364 1.00 88.02 184 A 1 ATOM 1471 C CB . ASP A 1 184 ? -12.183 -2.121 -7.627 1.00 91.70 184 A 1 ATOM 1472 C CG . ASP A 1 184 ? -11.731 -0.970 -8.498 1.00 91.90 184 A 1 ATOM 1473 O OD1 . ASP A 1 184 ? -11.358 0.078 -7.930 1.00 89.25 184 A 1 ATOM 1474 O OD2 . ASP A 1 184 ? -11.673 -1.090 -9.744 1.00 89.96 184 A 1 ATOM 1475 N N . GLN A 1 185 ? -12.071 -4.490 -5.636 1.00 90.27 185 A 1 ATOM 1476 C CA . GLN A 1 185 ? -12.660 -5.284 -4.569 1.00 88.16 185 A 1 ATOM 1477 C C . GLN A 1 185 ? -11.630 -5.632 -3.487 1.00 87.24 185 A 1 ATOM 1478 O O . GLN A 1 185 ? -11.909 -5.500 -2.297 1.00 85.74 185 A 1 ATOM 1479 C CB . GLN A 1 185 ? -13.274 -6.543 -5.189 1.00 87.19 185 A 1 ATOM 1480 C CG . GLN A 1 185 ? -13.939 -7.434 -4.135 1.00 77.60 185 A 1 ATOM 1481 C CD . GLN A 1 185 ? -14.490 -8.732 -4.714 1.00 72.22 185 A 1 ATOM 1482 O OE1 . GLN A 1 185 ? -14.698 -8.903 -5.904 1.00 65.93 185 A 1 ATOM 1483 N NE2 . GLN A 1 185 ? -14.757 -9.704 -3.875 1.00 61.63 185 A 1 ATOM 1484 N N . GLU A 1 186 ? -10.445 -6.073 -3.899 1.00 86.06 186 A 1 ATOM 1485 C CA . GLU A 1 186 ? -9.434 -6.608 -2.982 1.00 84.72 186 A 1 ATOM 1486 C C . GLU A 1 186 ? -8.698 -5.512 -2.200 1.00 84.45 186 A 1 ATOM 1487 O O . GLU A 1 186 ? -8.268 -5.744 -1.073 1.00 82.32 186 A 1 ATOM 1488 C CB . GLU A 1 186 ? -8.443 -7.473 -3.771 1.00 84.50 186 A 1 ATOM 1489 C CG . GLU A 1 186 ? -9.070 -8.710 -4.442 1.00 82.58 186 A 1 ATOM 1490 C CD . GLU A 1 186 ? -9.685 -9.731 -3.472 1.00 81.61 186 A 1 ATOM 1491 O OE1 . GLU A 1 186 ? -10.559 -10.509 -3.916 1.00 75.52 186 A 1 ATOM 1492 O OE2 . GLU A 1 186 ? -9.251 -9.792 -2.294 1.00 77.71 186 A 1 ATOM 1493 N N . PHE A 1 187 ? -8.560 -4.322 -2.780 1.00 86.67 187 A 1 ATOM 1494 C CA . PHE A 1 187 ? -7.919 -3.193 -2.107 1.00 83.94 187 A 1 ATOM 1495 C C . PHE A 1 187 ? -8.890 -2.397 -1.225 1.00 80.28 187 A 1 ATOM 1496 O O . PHE A 1 187 ? -8.516 -1.990 -0.128 1.00 75.26 187 A 1 ATOM 1497 C CB . PHE A 1 187 ? -7.243 -2.296 -3.147 1.00 85.01 187 A 1 ATOM 1498 C CG . PHE A 1 187 ? -6.407 -1.190 -2.541 1.00 85.30 187 A 1 ATOM 1499 C CD1 . PHE A 1 187 ? -6.809 0.152 -2.661 1.00 81.05 187 A 1 ATOM 1500 C CD2 . PHE A 1 187 ? -5.231 -1.507 -1.841 1.00 81.42 187 A 1 ATOM 1501 C CE1 . PHE A 1 187 ? -6.028 1.173 -2.094 1.00 77.94 187 A 1 ATOM 1502 C CE2 . PHE A 1 187 ? -4.453 -0.484 -1.271 1.00 79.33 187 A 1 ATOM 1503 C CZ . PHE A 1 187 ? -4.848 0.855 -1.399 1.00 80.52 187 A 1 ATOM 1504 N N . ASN A 1 188 ? -10.149 -2.224 -1.642 1.00 75.03 188 A 1 ATOM 1505 C CA . ASN A 1 188 ? -11.148 -1.509 -0.835 1.00 71.15 188 A 1 ATOM 1506 C C . ASN A 1 188 ? -11.547 -2.254 0.447 1.00 69.82 188 A 1 ATOM 1507 O O . ASN A 1 188 ? -12.101 -1.637 1.348 1.00 65.36 188 A 1 ATOM 1508 C CB . ASN A 1 188 ? -12.386 -1.200 -1.688 1.00 65.44 188 A 1 ATOM 1509 C CG . ASN A 1 188 ? -12.149 -0.125 -2.734 1.00 59.15 188 A 1 ATOM 1510 O OD1 . ASN A 1 188 ? -11.243 0.691 -2.673 1.00 55.07 188 A 1 ATOM 1511 N ND2 . ASN A 1 188 ? -12.986 -0.068 -3.742 1.00 51.72 188 A 1 ATOM 1512 N N . ALA A 1 189 ? -11.227 -3.542 0.566 1.00 59.64 189 A 1 ATOM 1513 C CA . ALA A 1 189 ? -11.423 -4.296 1.803 1.00 57.96 189 A 1 ATOM 1514 C C . ALA A 1 189 ? -10.540 -3.812 2.979 1.00 58.63 189 A 1 ATOM 1515 O O . ALA A 1 189 ? -10.717 -4.281 4.100 1.00 54.86 189 A 1 ATOM 1516 C CB . ALA A 1 189 ? -11.191 -5.779 1.489 1.00 52.84 189 A 1 ATOM 1517 N N . GLU A 1 190 ? -9.589 -2.903 2.727 1.00 57.77 190 A 1 ATOM 1518 C CA . GLU A 1 190 ? -8.698 -2.306 3.738 1.00 58.60 190 A 1 ATOM 1519 C C . GLU A 1 190 ? -9.137 -0.897 4.209 1.00 58.35 190 A 1 ATOM 1520 O O . GLU A 1 190 ? -8.571 -0.376 5.171 1.00 54.29 190 A 1 ATOM 1521 C CB . GLU A 1 190 ? -7.256 -2.293 3.171 1.00 54.60 190 A 1 ATOM 1522 C CG . GLU A 1 190 ? -6.170 -2.083 4.235 1.00 49.05 190 A 1 ATOM 1523 C CD . GLU A 1 190 ? -4.728 -2.111 3.689 1.00 44.66 190 A 1 ATOM 1524 O OE1 . GLU A 1 190 ? -3.792 -2.196 4.521 1.00 43.03 190 A 1 ATOM 1525 O OE2 . GLU A 1 190 ? -4.515 -2.028 2.459 1.00 42.95 190 A 1 ATOM 1526 N N . ILE A 1 191 ? -10.106 -0.258 3.528 1.00 60.62 191 A 1 ATOM 1527 C CA . ILE A 1 191 ? -10.534 1.137 3.766 1.00 59.99 191 A 1 ATOM 1528 C C . ILE A 1 191 ? -11.672 1.210 4.778 1.00 56.51 191 A 1 ATOM 1529 O O . ILE A 1 191 ? -12.638 0.420 4.644 1.00 51.26 191 A 1 ATOM 1530 C CB . ILE A 1 191 ? -10.867 1.855 2.438 1.00 55.25 191 A 1 ATOM 1531 C CG1 . ILE A 1 191 ? -9.661 1.815 1.474 1.00 49.98 191 A 1 ATOM 1532 C CG2 . ILE A 1 191 ? -11.285 3.315 2.720 1.00 49.27 191 A 1 ATOM 1533 C CD1 . ILE A 1 191 ? -9.914 2.466 0.108 1.00 48.64 191 A 1 ATOM 1534 O OXT . ILE A 1 191 ? -11.568 2.078 5.661 1.00 45.69 191 A 1 #