# 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_u56 # _entry.id u56 # 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 ARG 2 1 n ILE 3 1 n THR 4 1 n ASP 5 1 n GLU 6 1 n TYR 7 1 n VAL 8 1 n PHE 9 1 n PHE 10 1 n PHE 11 1 n SER 12 1 n HIS 13 1 n LYS 14 1 n ASP 15 1 n VAL 16 1 n PHE 17 1 n SER 18 1 n ASN 19 1 n TRP 20 1 n TYR 21 1 n ILE 22 1 n ALA 23 1 n PRO 24 1 n PHE 25 1 n THR 26 1 n GLU 27 1 n THR 28 1 n GLU 29 1 n PRO 30 1 n GLY 31 1 n TYR 32 1 n ASN 33 1 n GLU 34 1 n THR 35 1 n PHE 36 1 n CYS 37 1 n CYS 38 1 n VAL 39 1 n GLU 40 1 n GLN 41 1 n TYR 42 1 n MET 43 1 n MET 44 1 n TRP 45 1 n ARG 46 1 n LYS 47 1 n ALA 48 1 n LEU 49 1 n LEU 50 1 n PHE 51 1 n LYS 52 1 n ASP 53 1 n HIS 54 1 n ALA 55 1 n ILE 56 1 n ALA 57 1 n ALA 58 1 n ALA 59 1 n ILE 60 1 n LEU 61 1 n ASP 62 1 n HIS 63 1 n SER 64 1 n THR 65 1 n ILE 66 1 n ARG 67 1 n ASP 68 1 n ASN 69 1 n GLU 70 1 n ARG 71 1 n LYS 72 1 n GLN 73 1 n ALA 74 1 n TYR 75 1 n TYR 76 1 n LYS 77 1 n ARG 78 1 n MET 79 1 n GLY 80 1 n ARG 81 1 n ALA 82 1 n VAL 83 1 n SER 84 1 n GLY 85 1 n PHE 86 1 n ASN 87 1 n ASN 88 1 n ASP 89 1 n MET 90 1 n TRP 91 1 n GLU 92 1 n GLU 93 1 n ASN 94 1 n ARG 95 1 n GLU 96 1 n ARG 97 1 n ILE 98 1 n VAL 99 1 n MET 100 1 n ARG 101 1 n GLY 102 1 n LEU 103 1 n CYS 104 1 n LEU 105 1 n LYS 106 1 n TYR 107 1 n VAL 108 1 n GLN 109 1 n ASN 110 1 n PRO 111 1 n ASP 112 1 n LEU 113 1 n TYR 114 1 n ALA 115 1 n ASP 116 1 n LEU 117 1 n HIS 118 1 n LEU 119 1 n TYR 120 1 n GLN 121 1 n TYR 122 1 n LYS 123 1 n THR 124 1 n PHE 125 1 n VAL 126 1 n GLU 127 1 n ALA 128 1 n SER 129 1 n PRO 130 1 n TYR 131 1 n ASP 132 1 n LYS 133 1 n VAL 134 1 n TYR 135 1 n GLY 136 1 n ILE 137 1 n GLY 138 1 n MET 139 1 n GLY 140 1 n MET 141 1 n TYR 142 1 n GLU 143 1 n PRO 144 1 n GLY 145 1 n VAL 146 1 n LEU 147 1 n ASN 148 1 n PRO 149 1 n ALA 150 1 n THR 151 1 n TRP 152 1 n LYS 153 1 n GLY 154 1 n GLN 155 1 n ASN 156 1 n LEU 157 1 n LEU 158 1 n GLY 159 1 n LYS 160 1 n TYR 161 1 n HIS 162 1 n ASN 163 1 n LYS 164 1 n LEU 165 1 n ILE 166 1 n GLU 167 1 n ILE 168 1 n LEU 169 1 n PHE 170 1 n GLN 171 1 n ASP 172 1 n LYS 173 1 n ILE 174 1 n PRO 175 1 n GLN 176 1 n ARG 177 1 n ARG 178 1 n TYR 179 1 n LEU 180 # _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 01:11:34)" _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 92.35 _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 94.07 1 1 A ARG 2 2 96.20 1 2 A ILE 3 2 97.18 1 3 A THR 4 2 96.92 1 4 A ASP 5 2 91.72 1 5 A GLU 6 2 87.67 1 6 A TYR 7 2 96.34 1 7 A VAL 8 2 98.29 1 8 A PHE 9 2 98.55 1 9 A PHE 10 2 98.68 1 10 A PHE 11 2 91.51 1 11 A SER 12 2 93.37 1 12 A HIS 13 2 95.18 1 13 A LYS 14 2 91.68 1 14 A ASP 15 2 97.01 1 15 A VAL 16 2 98.18 1 16 A PHE 17 2 98.60 1 17 A SER 18 2 98.15 1 18 A ASN 19 2 97.20 1 19 A TRP 20 2 96.78 1 20 A TYR 21 2 98.49 1 21 A ILE 22 2 97.19 1 22 A ALA 23 2 98.53 1 23 A PRO 24 2 98.18 1 24 A PHE 25 2 98.38 1 25 A THR 26 2 97.09 1 26 A GLU 27 2 94.47 1 27 A THR 28 2 93.13 1 28 A GLU 29 2 85.86 1 29 A PRO 30 2 89.81 1 30 A GLY 31 2 91.86 1 31 A TYR 32 2 92.66 1 32 A ASN 33 2 88.98 1 33 A GLU 34 2 94.38 1 34 A THR 35 2 97.54 1 35 A PHE 36 2 98.28 1 36 A CYS 37 2 97.99 1 37 A CYS 38 2 98.51 1 38 A VAL 39 2 98.68 1 39 A GLU 40 2 97.57 1 40 A GLN 41 2 98.10 1 41 A TYR 42 2 98.26 1 42 A MET 43 2 97.59 1 43 A MET 44 2 97.99 1 44 A TRP 45 2 97.92 1 45 A ARG 46 2 93.73 1 46 A LYS 47 2 98.06 1 47 A ALA 48 2 98.72 1 48 A LEU 49 2 97.58 1 49 A LEU 50 2 97.98 1 50 A PHE 51 2 98.58 1 51 A LYS 52 2 95.61 1 52 A ASP 53 2 98.46 1 53 A HIS 54 2 95.27 1 54 A ALA 55 2 98.05 1 55 A ILE 56 2 97.69 1 56 A ALA 57 2 98.17 1 57 A ALA 58 2 97.96 1 58 A ALA 59 2 97.68 1 59 A ILE 60 2 98.00 1 60 A LEU 61 2 96.98 1 61 A ASP 62 2 91.11 1 62 A HIS 63 2 91.04 1 63 A SER 64 2 92.06 1 64 A THR 65 2 93.58 1 65 A ILE 66 2 94.41 1 66 A ARG 67 2 93.00 1 67 A ASP 68 2 92.01 1 68 A ASN 69 2 92.16 1 69 A GLU 70 2 96.26 1 70 A ARG 71 2 86.79 1 71 A LYS 72 2 93.51 1 72 A GLN 73 2 95.54 1 73 A ALA 74 2 97.86 1 74 A TYR 75 2 98.08 1 75 A TYR 76 2 98.08 1 76 A LYS 77 2 93.60 1 77 A ARG 78 2 97.20 1 78 A MET 79 2 96.53 1 79 A GLY 80 2 98.35 1 80 A ARG 81 2 89.60 1 81 A ALA 82 2 98.28 1 82 A VAL 83 2 98.54 1 83 A SER 84 2 96.13 1 84 A GLY 85 2 97.69 1 85 A PHE 86 2 98.24 1 86 A ASN 87 2 97.48 1 87 A ASN 88 2 96.73 1 88 A ASP 89 2 97.62 1 89 A MET 90 2 95.04 1 90 A TRP 91 2 98.46 1 91 A GLU 92 2 95.40 1 92 A GLU 93 2 89.98 1 93 A ASN 94 2 95.93 1 94 A ARG 95 2 96.12 1 95 A GLU 96 2 94.53 1 96 A ARG 97 2 85.50 1 97 A ILE 98 2 97.24 1 98 A VAL 99 2 97.77 1 99 A MET 100 2 93.53 1 100 A ARG 101 2 93.21 1 101 A GLY 102 2 96.79 1 102 A LEU 103 2 97.26 1 103 A CYS 104 2 95.26 1 104 A LEU 105 2 96.39 1 105 A LYS 106 2 97.50 1 106 A TYR 107 2 97.84 1 107 A VAL 108 2 94.91 1 108 A GLN 109 2 96.89 1 109 A ASN 110 2 97.47 1 110 A PRO 111 2 97.39 1 111 A ASP 112 2 97.12 1 112 A LEU 113 2 98.12 1 113 A TYR 114 2 95.65 1 114 A ALA 115 2 97.42 1 115 A ASP 116 2 96.96 1 116 A LEU 117 2 96.72 1 117 A HIS 118 2 90.28 1 118 A LEU 119 2 95.57 1 119 A TYR 120 2 96.03 1 120 A GLN 121 2 91.87 1 121 A TYR 122 2 83.42 1 122 A LYS 123 2 93.91 1 123 A THR 124 2 95.94 1 124 A PHE 125 2 97.77 1 125 A VAL 126 2 98.38 1 126 A GLU 127 2 95.89 1 127 A ALA 128 2 98.67 1 128 A SER 129 2 98.16 1 129 A PRO 130 2 97.83 1 130 A TYR 131 2 94.91 1 131 A ASP 132 2 96.70 1 132 A LYS 133 2 95.66 1 133 A VAL 134 2 98.01 1 134 A TYR 135 2 97.97 1 135 A GLY 136 2 98.72 1 136 A ILE 137 2 98.62 1 137 A GLY 138 2 98.59 1 138 A MET 139 2 97.11 1 139 A GLY 140 2 98.41 1 140 A MET 141 2 96.49 1 141 A TYR 142 2 96.39 1 142 A GLU 143 2 94.68 1 143 A PRO 144 2 97.41 1 144 A GLY 145 2 97.17 1 145 A VAL 146 2 97.49 1 146 A LEU 147 2 96.70 1 147 A ASN 148 2 96.46 1 148 A PRO 149 2 96.73 1 149 A ALA 150 2 97.14 1 150 A THR 151 2 96.90 1 151 A TRP 152 2 97.97 1 152 A LYS 153 2 94.92 1 153 A GLY 154 2 98.48 1 154 A GLN 155 2 96.27 1 155 A ASN 156 2 98.04 1 156 A LEU 157 2 98.12 1 157 A LEU 158 2 98.42 1 158 A GLY 159 2 97.89 1 159 A LYS 160 2 95.16 1 160 A TYR 161 2 96.99 1 161 A HIS 162 2 96.57 1 162 A ASN 163 2 93.19 1 163 A LYS 164 2 89.72 1 164 A LEU 165 2 94.10 1 165 A ILE 166 2 94.18 1 166 A GLU 167 2 86.93 1 167 A ILE 168 2 91.20 1 168 A LEU 169 2 90.61 1 169 A PHE 170 2 89.74 1 170 A GLN 171 2 67.41 1 171 A ASP 172 2 63.46 1 172 A LYS 173 2 53.20 1 173 A ILE 174 2 50.54 1 174 A PRO 175 2 50.94 1 175 A GLN 176 2 41.43 1 176 A ARG 177 2 34.78 1 177 A ARG 178 2 28.22 1 178 A TYR 179 2 29.11 1 179 A LEU 180 2 19.68 1 180 # _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 ARG . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ASP . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n HIS . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n ASP . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n TRP . 20 A 20 A 21 1 n TYR . 21 A 21 A 22 1 n ILE . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n PRO . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n THR . 26 A 26 A 27 1 n GLU . 27 A 27 A 28 1 n THR . 28 A 28 A 29 1 n GLU . 29 A 29 A 30 1 n PRO . 30 A 30 A 31 1 n GLY . 31 A 31 A 32 1 n TYR . 32 A 32 A 33 1 n ASN . 33 A 33 A 34 1 n GLU . 34 A 34 A 35 1 n THR . 35 A 35 A 36 1 n PHE . 36 A 36 A 37 1 n CYS . 37 A 37 A 38 1 n CYS . 38 A 38 A 39 1 n VAL . 39 A 39 A 40 1 n GLU . 40 A 40 A 41 1 n GLN . 41 A 41 A 42 1 n TYR . 42 A 42 A 43 1 n MET . 43 A 43 A 44 1 n MET . 44 A 44 A 45 1 n TRP . 45 A 45 A 46 1 n ARG . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n LEU . 49 A 49 A 50 1 n LEU . 50 A 50 A 51 1 n PHE . 51 A 51 A 52 1 n LYS . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n HIS . 54 A 54 A 55 1 n ALA . 55 A 55 A 56 1 n ILE . 56 A 56 A 57 1 n ALA . 57 A 57 A 58 1 n ALA . 58 A 58 A 59 1 n ALA . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n ASP . 62 A 62 A 63 1 n HIS . 63 A 63 A 64 1 n SER . 64 A 64 A 65 1 n THR . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n ARG . 67 A 67 A 68 1 n ASP . 68 A 68 A 69 1 n ASN . 69 A 69 A 70 1 n GLU . 70 A 70 A 71 1 n ARG . 71 A 71 A 72 1 n LYS . 72 A 72 A 73 1 n GLN . 73 A 73 A 74 1 n ALA . 74 A 74 A 75 1 n TYR . 75 A 75 A 76 1 n TYR . 76 A 76 A 77 1 n LYS . 77 A 77 A 78 1 n ARG . 78 A 78 A 79 1 n MET . 79 A 79 A 80 1 n GLY . 80 A 80 A 81 1 n ARG . 81 A 81 A 82 1 n ALA . 82 A 82 A 83 1 n VAL . 83 A 83 A 84 1 n SER . 84 A 84 A 85 1 n GLY . 85 A 85 A 86 1 n PHE . 86 A 86 A 87 1 n ASN . 87 A 87 A 88 1 n ASN . 88 A 88 A 89 1 n ASP . 89 A 89 A 90 1 n MET . 90 A 90 A 91 1 n TRP . 91 A 91 A 92 1 n GLU . 92 A 92 A 93 1 n GLU . 93 A 93 A 94 1 n ASN . 94 A 94 A 95 1 n ARG . 95 A 95 A 96 1 n GLU . 96 A 96 A 97 1 n ARG . 97 A 97 A 98 1 n ILE . 98 A 98 A 99 1 n VAL . 99 A 99 A 100 1 n MET . 100 A 100 A 101 1 n ARG . 101 A 101 A 102 1 n GLY . 102 A 102 A 103 1 n LEU . 103 A 103 A 104 1 n CYS . 104 A 104 A 105 1 n LEU . 105 A 105 A 106 1 n LYS . 106 A 106 A 107 1 n TYR . 107 A 107 A 108 1 n VAL . 108 A 108 A 109 1 n GLN . 109 A 109 A 110 1 n ASN . 110 A 110 A 111 1 n PRO . 111 A 111 A 112 1 n ASP . 112 A 112 A 113 1 n LEU . 113 A 113 A 114 1 n TYR . 114 A 114 A 115 1 n ALA . 115 A 115 A 116 1 n ASP . 116 A 116 A 117 1 n LEU . 117 A 117 A 118 1 n HIS . 118 A 118 A 119 1 n LEU . 119 A 119 A 120 1 n TYR . 120 A 120 A 121 1 n GLN . 121 A 121 A 122 1 n TYR . 122 A 122 A 123 1 n LYS . 123 A 123 A 124 1 n THR . 124 A 124 A 125 1 n PHE . 125 A 125 A 126 1 n VAL . 126 A 126 A 127 1 n GLU . 127 A 127 A 128 1 n ALA . 128 A 128 A 129 1 n SER . 129 A 129 A 130 1 n PRO . 130 A 130 A 131 1 n TYR . 131 A 131 A 132 1 n ASP . 132 A 132 A 133 1 n LYS . 133 A 133 A 134 1 n VAL . 134 A 134 A 135 1 n TYR . 135 A 135 A 136 1 n GLY . 136 A 136 A 137 1 n ILE . 137 A 137 A 138 1 n GLY . 138 A 138 A 139 1 n MET . 139 A 139 A 140 1 n GLY . 140 A 140 A 141 1 n MET . 141 A 141 A 142 1 n TYR . 142 A 142 A 143 1 n GLU . 143 A 143 A 144 1 n PRO . 144 A 144 A 145 1 n GLY . 145 A 145 A 146 1 n VAL . 146 A 146 A 147 1 n LEU . 147 A 147 A 148 1 n ASN . 148 A 148 A 149 1 n PRO . 149 A 149 A 150 1 n ALA . 150 A 150 A 151 1 n THR . 151 A 151 A 152 1 n TRP . 152 A 152 A 153 1 n LYS . 153 A 153 A 154 1 n GLY . 154 A 154 A 155 1 n GLN . 155 A 155 A 156 1 n ASN . 156 A 156 A 157 1 n LEU . 157 A 157 A 158 1 n LEU . 158 A 158 A 159 1 n GLY . 159 A 159 A 160 1 n LYS . 160 A 160 A 161 1 n TYR . 161 A 161 A 162 1 n HIS . 162 A 162 A 163 1 n ASN . 163 A 163 A 164 1 n LYS . 164 A 164 A 165 1 n LEU . 165 A 165 A 166 1 n ILE . 166 A 166 A 167 1 n GLU . 167 A 167 A 168 1 n ILE . 168 A 168 A 169 1 n LEU . 169 A 169 A 170 1 n PHE . 170 A 170 A 171 1 n GLN . 171 A 171 A 172 1 n ASP . 172 A 172 A 173 1 n LYS . 173 A 173 A 174 1 n ILE . 174 A 174 A 175 1 n PRO . 175 A 175 A 176 1 n GLN . 176 A 176 A 177 1 n ARG . 177 A 177 A 178 1 n ARG . 178 A 178 A 179 1 n TYR . 179 A 179 A 180 1 n LEU . 180 A 180 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -2.793 12.814 -3.502 1.00 95.58 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.988 12.280 -2.812 1.00 97.09 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.134 13.274 -2.917 1.00 97.77 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.885 14.475 -2.865 1.00 96.96 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.637 11.965 -1.351 1.00 94.65 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.750 11.248 -0.588 1.00 91.30 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.200 10.513 0.969 1.00 92.14 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.794 11.978 1.956 1.00 87.05 1 A 1 ATOM 9 N N . ARG A 1 2 ? -6.373 12.806 -3.093 1.00 98.16 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -7.616 13.596 -3.077 1.00 98.45 2 A 1 ATOM 11 C C . ARG A 1 2 ? -8.570 13.004 -2.041 1.00 98.64 2 A 1 ATOM 12 O O . ARG A 1 2 ? -8.897 11.827 -2.115 1.00 98.46 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -8.230 13.628 -4.490 1.00 98.17 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -9.608 14.307 -4.546 1.00 97.35 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -10.218 14.197 -5.951 1.00 96.54 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -11.588 14.751 -6.007 1.00 94.74 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -12.480 14.553 -6.962 1.00 95.65 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -12.224 13.819 -8.012 1.00 90.93 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -13.663 15.089 -6.887 1.00 91.13 2 A 1 ATOM 20 N N . ILE A 1 3 ? -9.036 13.839 -1.106 1.00 98.55 3 A 1 ATOM 21 C CA . ILE A 1 3 ? -9.986 13.444 -0.061 1.00 98.45 3 A 1 ATOM 22 C C . ILE A 1 3 ? -11.342 14.081 -0.365 1.00 98.42 3 A 1 ATOM 23 O O . ILE A 1 3 ? -11.407 15.262 -0.707 1.00 97.93 3 A 1 ATOM 24 C CB . ILE A 1 3 ? -9.464 13.835 1.340 1.00 98.11 3 A 1 ATOM 25 C CG1 . ILE A 1 3 ? -8.013 13.364 1.611 1.00 96.77 3 A 1 ATOM 26 C CG2 . ILE A 1 3 ? -10.398 13.317 2.434 1.00 97.39 3 A 1 ATOM 27 C CD1 . ILE A 1 3 ? -7.793 11.855 1.482 1.00 91.82 3 A 1 ATOM 28 N N . THR A 1 4 ? -12.412 13.305 -0.251 1.00 97.58 4 A 1 ATOM 29 C CA . THR A 1 4 ? -13.806 13.773 -0.288 1.00 97.22 4 A 1 ATOM 30 C C . THR A 1 4 ? -14.511 13.387 1.014 1.00 96.81 4 A 1 ATOM 31 O O . THR A 1 4 ? -13.884 12.824 1.920 1.00 96.46 4 A 1 ATOM 32 C CB . THR A 1 4 ? -14.557 13.219 -1.513 1.00 97.29 4 A 1 ATOM 33 O OG1 . THR A 1 4 ? -14.788 11.840 -1.375 1.00 96.82 4 A 1 ATOM 34 C CG2 . THR A 1 4 ? -13.801 13.439 -2.824 1.00 96.25 4 A 1 ATOM 35 N N . ASP A 1 5 ? -15.810 13.659 1.123 1.00 95.25 5 A 1 ATOM 36 C CA . ASP A 1 5 ? -16.589 13.233 2.293 1.00 94.23 5 A 1 ATOM 37 C C . ASP A 1 5 ? -16.633 11.702 2.420 1.00 93.88 5 A 1 ATOM 38 O O . ASP A 1 5 ? -16.517 11.179 3.523 1.00 92.43 5 A 1 ATOM 39 C CB . ASP A 1 5 ? -17.990 13.857 2.228 1.00 93.68 5 A 1 ATOM 40 C CG . ASP A 1 5 ? -17.930 15.390 2.302 1.00 90.68 5 A 1 ATOM 41 O OD1 . ASP A 1 5 ? -16.938 15.905 2.870 1.00 86.67 5 A 1 ATOM 42 O OD2 . ASP A 1 5 ? -18.830 16.028 1.723 1.00 86.95 5 A 1 ATOM 43 N N . GLU A 1 6 ? -16.665 10.984 1.292 1.00 94.67 6 A 1 ATOM 44 C CA . GLU A 1 6 ? -16.801 9.524 1.240 1.00 94.45 6 A 1 ATOM 45 C C . GLU A 1 6 ? -15.502 8.778 0.902 1.00 95.03 6 A 1 ATOM 46 O O . GLU A 1 6 ? -15.317 7.645 1.343 1.00 94.37 6 A 1 ATOM 47 C CB . GLU A 1 6 ? -17.869 9.160 0.202 1.00 93.62 6 A 1 ATOM 48 C CG . GLU A 1 6 ? -19.276 9.648 0.589 1.00 84.65 6 A 1 ATOM 49 C CD . GLU A 1 6 ? -20.342 9.256 -0.448 1.00 81.94 6 A 1 ATOM 50 O OE1 . GLU A 1 6 ? -21.412 9.899 -0.436 1.00 74.00 6 A 1 ATOM 51 O OE2 . GLU A 1 6 ? -20.088 8.319 -1.247 1.00 76.32 6 A 1 ATOM 52 N N . TYR A 1 7 ? -14.587 9.381 0.129 1.00 96.47 7 A 1 ATOM 53 C CA . TYR A 1 7 ? -13.470 8.672 -0.490 1.00 96.78 7 A 1 ATOM 54 C C . TYR A 1 7 ? -12.094 9.227 -0.114 1.00 97.14 7 A 1 ATOM 55 O O . TYR A 1 7 ? -11.888 10.436 0.020 1.00 97.20 7 A 1 ATOM 56 C CB . TYR A 1 7 ? -13.634 8.647 -2.021 1.00 96.95 7 A 1 ATOM 57 C CG . TYR A 1 7 ? -14.895 7.966 -2.521 1.00 97.02 7 A 1 ATOM 58 C CD1 . TYR A 1 7 ? -14.947 6.566 -2.631 1.00 95.75 7 A 1 ATOM 59 C CD2 . TYR A 1 7 ? -16.028 8.734 -2.854 1.00 95.95 7 A 1 ATOM 60 C CE1 . TYR A 1 7 ? -16.136 5.927 -3.044 1.00 95.51 7 A 1 ATOM 61 C CE2 . TYR A 1 7 ? -17.220 8.100 -3.265 1.00 95.91 7 A 1 ATOM 62 C CZ . TYR A 1 7 ? -17.276 6.693 -3.347 1.00 96.05 7 A 1 ATOM 63 O OH . TYR A 1 7 ? -18.431 6.075 -3.702 1.00 95.40 7 A 1 ATOM 64 N N . VAL A 1 8 ? -11.113 8.322 -0.067 1.00 98.24 8 A 1 ATOM 65 C CA . VAL A 1 8 ? -9.674 8.608 -0.096 1.00 98.47 8 A 1 ATOM 66 C C . VAL A 1 8 ? -9.125 8.091 -1.422 1.00 98.62 8 A 1 ATOM 67 O O . VAL A 1 8 ? -8.880 6.894 -1.575 1.00 98.58 8 A 1 ATOM 68 C CB . VAL A 1 8 ? -8.939 7.950 1.087 1.00 98.35 8 A 1 ATOM 69 C CG1 . VAL A 1 8 ? -7.442 8.283 1.066 1.00 97.90 8 A 1 ATOM 70 C CG2 . VAL A 1 8 ? -9.509 8.409 2.429 1.00 97.88 8 A 1 ATOM 71 N N . PHE A 1 9 ? -8.919 8.975 -2.386 1.00 98.79 9 A 1 ATOM 72 C CA . PHE A 1 9 ? -8.257 8.646 -3.645 1.00 98.81 9 A 1 ATOM 73 C C . PHE A 1 9 ? -6.747 8.827 -3.501 1.00 98.79 9 A 1 ATOM 74 O O . PHE A 1 9 ? -6.277 9.918 -3.170 1.00 98.65 9 A 1 ATOM 75 C CB . PHE A 1 9 ? -8.791 9.502 -4.794 1.00 98.77 9 A 1 ATOM 76 C CG . PHE A 1 9 ? -10.265 9.312 -5.073 1.00 98.76 9 A 1 ATOM 77 C CD1 . PHE A 1 9 ? -10.694 8.235 -5.868 1.00 98.41 9 A 1 ATOM 78 C CD2 . PHE A 1 9 ? -11.209 10.207 -4.538 1.00 98.45 9 A 1 ATOM 79 C CE1 . PHE A 1 9 ? -12.064 8.052 -6.124 1.00 98.20 9 A 1 ATOM 80 C CE2 . PHE A 1 9 ? -12.577 10.021 -4.795 1.00 98.14 9 A 1 ATOM 81 C CZ . PHE A 1 9 ? -13.005 8.942 -5.587 1.00 98.28 9 A 1 ATOM 82 N N . PHE A 1 10 ? -5.991 7.784 -3.813 1.00 98.81 10 A 1 ATOM 83 C CA . PHE A 1 10 ? -4.531 7.810 -3.785 1.00 98.81 10 A 1 ATOM 84 C C . PHE A 1 10 ? -3.955 7.200 -5.061 1.00 98.77 10 A 1 ATOM 85 O O . PHE A 1 10 ? -4.565 6.334 -5.685 1.00 98.61 10 A 1 ATOM 86 C CB . PHE A 1 10 ? -4.031 7.103 -2.522 1.00 98.78 10 A 1 ATOM 87 C CG . PHE A 1 10 ? -4.359 5.625 -2.451 1.00 98.82 10 A 1 ATOM 88 C CD1 . PHE A 1 10 ? -5.574 5.189 -1.884 1.00 98.67 10 A 1 ATOM 89 C CD2 . PHE A 1 10 ? -3.450 4.679 -2.953 1.00 98.65 10 A 1 ATOM 90 C CE1 . PHE A 1 10 ? -5.871 3.820 -1.820 1.00 98.53 10 A 1 ATOM 91 C CE2 . PHE A 1 10 ? -3.750 3.311 -2.889 1.00 98.47 10 A 1 ATOM 92 C CZ . PHE A 1 10 ? -4.959 2.876 -2.323 1.00 98.60 10 A 1 ATOM 93 N N . PHE A 1 11 ? -2.772 7.665 -5.471 1.00 97.45 11 A 1 ATOM 94 C CA . PHE A 1 11 ? -2.031 7.114 -6.604 1.00 96.10 11 A 1 ATOM 95 C C . PHE A 1 11 ? -0.580 7.604 -6.591 1.00 93.65 11 A 1 ATOM 96 O O . PHE A 1 11 ? -0.312 8.764 -6.286 1.00 85.84 11 A 1 ATOM 97 C CB . PHE A 1 11 ? -2.713 7.521 -7.923 1.00 94.41 11 A 1 ATOM 98 C CG . PHE A 1 11 ? -1.951 7.109 -9.171 1.00 94.45 11 A 1 ATOM 99 C CD1 . PHE A 1 11 ? -1.515 8.085 -10.088 1.00 90.74 11 A 1 ATOM 100 C CD2 . PHE A 1 11 ? -1.635 5.759 -9.392 1.00 90.62 11 A 1 ATOM 101 C CE1 . PHE A 1 11 ? -0.765 7.714 -11.210 1.00 88.00 11 A 1 ATOM 102 C CE2 . PHE A 1 11 ? -0.873 5.388 -10.512 1.00 88.40 11 A 1 ATOM 103 C CZ . PHE A 1 11 ? -0.438 6.367 -11.419 1.00 86.93 11 A 1 ATOM 104 N N . SER A 1 12 ? 0.351 6.767 -7.009 1.00 95.32 12 A 1 ATOM 105 C CA . SER A 1 12 ? 1.791 7.033 -7.101 1.00 94.70 12 A 1 ATOM 106 C C . SER A 1 12 ? 2.567 6.839 -5.789 1.00 95.90 12 A 1 ATOM 107 O O . SER A 1 12 ? 2.025 6.735 -4.700 1.00 94.89 12 A 1 ATOM 108 C CB . SER A 1 12 ? 2.099 8.409 -7.726 1.00 91.60 12 A 1 ATOM 109 O OG . SER A 1 12 ? 2.126 9.435 -6.740 1.00 87.83 12 A 1 ATOM 110 N N . HIS A 1 13 ? 3.892 6.837 -5.910 1.00 97.49 13 A 1 ATOM 111 C CA . HIS A 1 13 ? 4.848 6.734 -4.804 1.00 97.50 13 A 1 ATOM 112 C C . HIS A 1 13 ? 4.834 7.918 -3.817 1.00 97.80 13 A 1 ATOM 113 O O . HIS A 1 13 ? 5.604 7.901 -2.858 1.00 97.13 13 A 1 ATOM 114 C CB . HIS A 1 13 ? 6.257 6.612 -5.406 1.00 97.01 13 A 1 ATOM 115 C CG . HIS A 1 13 ? 6.711 7.867 -6.121 1.00 96.72 13 A 1 ATOM 116 N ND1 . HIS A 1 13 ? 6.189 8.370 -7.290 1.00 91.78 13 A 1 ATOM 117 C CD2 . HIS A 1 13 ? 7.662 8.760 -5.697 1.00 91.74 13 A 1 ATOM 118 C CE1 . HIS A 1 13 ? 6.791 9.545 -7.552 1.00 91.78 13 A 1 ATOM 119 N NE2 . HIS A 1 13 ? 7.703 9.823 -6.614 1.00 92.85 13 A 1 ATOM 120 N N . LYS A 1 14 ? 4.062 8.983 -4.076 1.00 97.72 14 A 1 ATOM 121 C CA . LYS A 1 14 ? 3.955 10.159 -3.199 1.00 97.57 14 A 1 ATOM 122 C C . LYS A 1 14 ? 2.828 10.034 -2.181 1.00 98.06 14 A 1 ATOM 123 O O . LYS A 1 14 ? 2.831 10.764 -1.197 1.00 97.45 14 A 1 ATOM 124 C CB . LYS A 1 14 ? 3.765 11.432 -4.034 1.00 96.75 14 A 1 ATOM 125 C CG . LYS A 1 14 ? 4.954 11.722 -4.965 1.00 93.98 14 A 1 ATOM 126 C CD . LYS A 1 14 ? 4.743 13.060 -5.684 1.00 87.85 14 A 1 ATOM 127 C CE . LYS A 1 14 ? 5.940 13.379 -6.584 1.00 82.98 14 A 1 ATOM 128 N NZ . LYS A 1 14 ? 5.780 14.698 -7.254 1.00 72.76 14 A 1 ATOM 129 N N . ASP A 1 15 ? 1.876 9.145 -2.421 1.00 98.13 15 A 1 ATOM 130 C CA . ASP A 1 15 ? 0.711 8.978 -1.562 1.00 98.29 15 A 1 ATOM 131 C C . ASP A 1 15 ? 0.947 7.847 -0.553 1.00 98.47 15 A 1 ATOM 132 O O . ASP A 1 15 ? 1.252 6.715 -0.931 1.00 98.17 15 A 1 ATOM 133 C CB . ASP A 1 15 ? -0.543 8.734 -2.413 1.00 97.88 15 A 1 ATOM 134 C CG . ASP A 1 15 ? -0.995 9.956 -3.226 1.00 96.43 15 A 1 ATOM 135 O OD1 . ASP A 1 15 ? -0.648 11.108 -2.879 1.00 94.25 15 A 1 ATOM 136 O OD2 . ASP A 1 15 ? -1.749 9.754 -4.200 1.00 94.47 15 A 1 ATOM 137 N N . VAL A 1 16 ? 0.760 8.155 0.736 1.00 98.65 16 A 1 ATOM 138 C CA . VAL A 1 16 ? 1.072 7.271 1.876 1.00 98.67 16 A 1 ATOM 139 C C . VAL A 1 16 ? 0.359 5.915 1.816 1.00 98.76 16 A 1 ATOM 140 O O . VAL A 1 16 ? 0.876 4.926 2.335 1.00 98.60 16 A 1 ATOM 141 C CB . VAL A 1 16 ? 0.768 7.967 3.220 1.00 98.41 16 A 1 ATOM 142 C CG1 . VAL A 1 16 ? 1.634 9.221 3.391 1.00 97.23 16 A 1 ATOM 143 C CG2 . VAL A 1 16 ? -0.709 8.366 3.371 1.00 96.96 16 A 1 ATOM 144 N N . PHE A 1 17 ? -0.781 5.830 1.133 1.00 98.82 17 A 1 ATOM 145 C CA . PHE A 1 17 ? -1.559 4.599 0.971 1.00 98.83 17 A 1 ATOM 146 C C . PHE A 1 17 ? -1.119 3.743 -0.230 1.00 98.81 17 A 1 ATOM 147 O O . PHE A 1 17 ? -1.556 2.607 -0.379 1.00 98.64 17 A 1 ATOM 148 C CB . PHE A 1 17 ? -3.052 4.960 0.924 1.00 98.80 17 A 1 ATOM 149 C CG . PHE A 1 17 ? -3.508 5.781 2.119 1.00 98.79 17 A 1 ATOM 150 C CD1 . PHE A 1 17 ? -3.360 5.270 3.423 1.00 98.56 17 A 1 ATOM 151 C CD2 . PHE A 1 17 ? -4.031 7.076 1.936 1.00 98.54 17 A 1 ATOM 152 C CE1 . PHE A 1 17 ? -3.719 6.048 4.537 1.00 98.31 17 A 1 ATOM 153 C CE2 . PHE A 1 17 ? -4.395 7.852 3.051 1.00 98.23 17 A 1 ATOM 154 C CZ . PHE A 1 17 ? -4.232 7.338 4.351 1.00 98.32 17 A 1 ATOM 155 N N . SER A 1 18 ? -0.226 4.243 -1.083 1.00 98.71 18 A 1 ATOM 156 C CA . SER A 1 18 ? 0.304 3.463 -2.202 1.00 98.67 18 A 1 ATOM 157 C C . SER A 1 18 ? 1.260 2.364 -1.721 1.00 98.73 18 A 1 ATOM 158 O O . SER A 1 18 ? 2.077 2.579 -0.818 1.00 98.58 18 A 1 ATOM 159 C CB . SER A 1 18 ? 1.008 4.388 -3.191 1.00 98.40 18 A 1 ATOM 160 O OG . SER A 1 18 ? 1.462 3.661 -4.317 1.00 95.81 18 A 1 ATOM 161 N N . ASN A 1 19 ? 1.245 1.208 -2.393 1.00 98.69 19 A 1 ATOM 162 C CA . ASN A 1 19 ? 2.275 0.174 -2.234 1.00 98.69 19 A 1 ATOM 163 C C . ASN A 1 19 ? 3.682 0.676 -2.601 1.00 98.72 19 A 1 ATOM 164 O O . ASN A 1 19 ? 4.675 0.124 -2.136 1.00 98.47 19 A 1 ATOM 165 C CB . ASN A 1 19 ? 1.906 -1.046 -3.101 1.00 98.49 19 A 1 ATOM 166 C CG . ASN A 1 19 ? 0.830 -1.920 -2.487 1.00 97.52 19 A 1 ATOM 167 O OD1 . ASN A 1 19 ? 0.407 -1.737 -1.357 1.00 93.81 19 A 1 ATOM 168 N ND2 . ASN A 1 19 ? 0.385 -2.925 -3.206 1.00 93.23 19 A 1 ATOM 169 N N . TRP A 1 20 ? 3.766 1.737 -3.408 1.00 98.56 20 A 1 ATOM 170 C CA . TRP A 1 20 ? 5.016 2.358 -3.843 1.00 98.51 20 A 1 ATOM 171 C C . TRP A 1 20 ? 5.566 3.399 -2.860 1.00 98.56 20 A 1 ATOM 172 O O . TRP A 1 20 ? 6.694 3.858 -3.040 1.00 98.13 20 A 1 ATOM 173 C CB . TRP A 1 20 ? 4.806 2.974 -5.232 1.00 98.25 20 A 1 ATOM 174 C CG . TRP A 1 20 ? 4.735 2.001 -6.370 1.00 97.94 20 A 1 ATOM 175 C CD1 . TRP A 1 20 ? 4.112 0.798 -6.368 1.00 97.10 20 A 1 ATOM 176 C CD2 . TRP A 1 20 ? 5.334 2.122 -7.698 1.00 97.21 20 A 1 ATOM 177 N NE1 . TRP A 1 20 ? 4.291 0.166 -7.583 1.00 95.90 20 A 1 ATOM 178 C CE2 . TRP A 1 20 ? 5.047 0.938 -8.439 1.00 96.45 20 A 1 ATOM 179 C CE3 . TRP A 1 20 ? 6.108 3.109 -8.338 1.00 95.90 20 A 1 ATOM 180 C CZ2 . TRP A 1 20 ? 5.523 0.736 -9.742 1.00 94.59 20 A 1 ATOM 181 C CZ3 . TRP A 1 20 ? 6.582 2.926 -9.646 1.00 94.16 20 A 1 ATOM 182 C CH2 . TRP A 1 20 ? 6.297 1.740 -10.348 1.00 93.65 20 A 1 ATOM 183 N N . TYR A 1 21 ? 4.801 3.801 -1.846 1.00 98.64 21 A 1 ATOM 184 C CA . TYR A 1 21 ? 5.261 4.758 -0.843 1.00 98.70 21 A 1 ATOM 185 C C . TYR A 1 21 ? 6.381 4.151 0.008 1.00 98.69 21 A 1 ATOM 186 O O . TYR A 1 21 ? 6.262 3.020 0.486 1.00 98.55 21 A 1 ATOM 187 C CB . TYR A 1 21 ? 4.088 5.209 0.021 1.00 98.71 21 A 1 ATOM 188 C CG . TYR A 1 21 ? 4.454 6.341 0.961 1.00 98.73 21 A 1 ATOM 189 C CD1 . TYR A 1 21 ? 4.815 6.072 2.296 1.00 98.49 21 A 1 ATOM 190 C CD2 . TYR A 1 21 ? 4.445 7.668 0.494 1.00 98.52 21 A 1 ATOM 191 C CE1 . TYR A 1 21 ? 5.152 7.126 3.162 1.00 98.29 21 A 1 ATOM 192 C CE2 . TYR A 1 21 ? 4.779 8.725 1.360 1.00 98.31 21 A 1 ATOM 193 C CZ . TYR A 1 21 ? 5.127 8.452 2.695 1.00 98.35 21 A 1 ATOM 194 O OH . TYR A 1 21 ? 5.440 9.475 3.537 1.00 97.90 21 A 1 ATOM 195 N N . ILE A 1 22 ? 7.480 4.895 0.183 1.00 98.36 22 A 1 ATOM 196 C CA . ILE A 1 22 ? 8.614 4.453 1.003 1.00 98.33 22 A 1 ATOM 197 C C . ILE A 1 22 ? 8.241 4.581 2.481 1.00 98.53 22 A 1 ATOM 198 O O . ILE A 1 22 ? 8.100 5.685 2.995 1.00 98.41 22 A 1 ATOM 199 C CB . ILE A 1 22 ? 9.907 5.225 0.657 1.00 97.84 22 A 1 ATOM 200 C CG1 . ILE A 1 22 ? 10.331 5.042 -0.818 1.00 96.74 22 A 1 ATOM 201 C CG2 . ILE A 1 22 ? 11.063 4.815 1.589 1.00 96.87 22 A 1 ATOM 202 C CD1 . ILE A 1 22 ? 10.606 3.598 -1.260 1.00 92.46 22 A 1 ATOM 203 N N . ALA A 1 23 ? 8.089 3.440 3.125 1.00 98.41 23 A 1 ATOM 204 C CA . ALA A 1 23 ? 7.802 3.293 4.543 1.00 98.59 23 A 1 ATOM 205 C C . ALA A 1 23 ? 8.398 1.954 4.994 1.00 98.70 23 A 1 ATOM 206 O O . ALA A 1 23 ? 7.766 0.916 4.780 1.00 98.51 23 A 1 ATOM 207 C CB . ALA A 1 23 ? 6.285 3.337 4.744 1.00 98.43 23 A 1 ATOM 208 N N . PRO A 1 24 ? 9.631 1.948 5.519 1.00 98.55 24 A 1 ATOM 209 C CA . PRO A 1 24 ? 10.316 0.713 5.882 1.00 98.56 24 A 1 ATOM 210 C C . PRO A 1 24 ? 9.575 -0.083 6.962 1.00 98.65 24 A 1 ATOM 211 O O . PRO A 1 24 ? 9.011 0.494 7.890 1.00 98.48 24 A 1 ATOM 212 C CB . PRO A 1 24 ? 11.719 1.122 6.335 1.00 98.14 24 A 1 ATOM 213 C CG . PRO A 1 24 ? 11.942 2.457 5.625 1.00 96.71 24 A 1 ATOM 214 C CD . PRO A 1 24 ? 10.549 3.073 5.624 1.00 98.15 24 A 1 ATOM 215 N N . PHE A 1 25 ? 9.612 -1.408 6.833 1.00 98.29 25 A 1 ATOM 216 C CA . PHE A 1 25 ? 9.098 -2.344 7.830 1.00 98.35 25 A 1 ATOM 217 C C . PHE A 1 25 ? 9.813 -3.691 7.712 1.00 98.36 25 A 1 ATOM 218 O O . PHE A 1 25 ? 10.332 -4.037 6.650 1.00 98.31 25 A 1 ATOM 219 C CB . PHE A 1 25 ? 7.579 -2.512 7.671 1.00 98.43 25 A 1 ATOM 220 C CG . PHE A 1 25 ? 7.129 -3.065 6.330 1.00 98.63 25 A 1 ATOM 221 C CD1 . PHE A 1 25 ? 6.779 -2.187 5.287 1.00 98.42 25 A 1 ATOM 222 C CD2 . PHE A 1 25 ? 7.061 -4.454 6.115 1.00 98.43 25 A 1 ATOM 223 C CE1 . PHE A 1 25 ? 6.362 -2.693 4.047 1.00 98.25 25 A 1 ATOM 224 C CE2 . PHE A 1 25 ? 6.646 -4.961 4.871 1.00 98.26 25 A 1 ATOM 225 C CZ . PHE A 1 25 ? 6.296 -4.080 3.834 1.00 98.47 25 A 1 ATOM 226 N N . THR A 1 26 ? 9.804 -4.469 8.790 1.00 97.90 26 A 1 ATOM 227 C CA . THR A 1 26 ? 10.455 -5.782 8.880 1.00 97.80 26 A 1 ATOM 228 C C . THR A 1 26 ? 9.401 -6.885 8.985 1.00 97.76 26 A 1 ATOM 229 O O . THR A 1 26 ? 8.395 -6.720 9.681 1.00 97.40 26 A 1 ATOM 230 C CB . THR A 1 26 ? 11.427 -5.801 10.068 1.00 97.43 26 A 1 ATOM 231 O OG1 . THR A 1 26 ? 12.350 -4.738 9.936 1.00 95.79 26 A 1 ATOM 232 C CG2 . THR A 1 26 ? 12.253 -7.079 10.165 1.00 95.57 26 A 1 ATOM 233 N N . GLU A 1 27 ? 9.610 -8.009 8.296 1.00 97.23 27 A 1 ATOM 234 C CA . GLU A 1 27 ? 8.774 -9.198 8.475 1.00 96.80 27 A 1 ATOM 235 C C . GLU A 1 27 ? 8.974 -9.772 9.885 1.00 95.75 27 A 1 ATOM 236 O O . GLU A 1 27 ? 10.084 -9.816 10.410 1.00 93.48 27 A 1 ATOM 237 C CB . GLU A 1 27 ? 9.051 -10.227 7.368 1.00 96.15 27 A 1 ATOM 238 C CG . GLU A 1 27 ? 8.220 -11.525 7.440 1.00 94.67 27 A 1 ATOM 239 C CD . GLU A 1 27 ? 6.694 -11.297 7.464 1.00 95.45 27 A 1 ATOM 240 O OE1 . GLU A 1 27 ? 6.134 -11.139 8.572 1.00 89.58 27 A 1 ATOM 241 O OE2 . GLU A 1 27 ? 6.042 -11.271 6.407 1.00 91.08 27 A 1 ATOM 242 N N . THR A 1 28 ? 7.891 -10.196 10.510 1.00 95.11 28 A 1 ATOM 243 C CA . THR A 1 28 ? 7.875 -10.726 11.884 1.00 94.10 28 A 1 ATOM 244 C C . THR A 1 28 ? 7.422 -12.186 11.961 1.00 93.75 28 A 1 ATOM 245 O O . THR A 1 28 ? 7.289 -12.726 13.058 1.00 91.54 28 A 1 ATOM 246 C CB . THR A 1 28 ? 7.018 -9.852 12.813 1.00 93.39 28 A 1 ATOM 247 O OG1 . THR A 1 28 ? 5.670 -9.844 12.399 1.00 92.77 28 A 1 ATOM 248 C CG2 . THR A 1 28 ? 7.480 -8.395 12.851 1.00 91.26 28 A 1 ATOM 249 N N . GLU A 1 29 ? 7.144 -12.834 10.826 1.00 92.64 29 A 1 ATOM 250 C CA . GLU A 1 29 ? 6.864 -14.271 10.771 1.00 92.02 29 A 1 ATOM 251 C C . GLU A 1 29 ? 8.120 -15.064 11.195 1.00 92.05 29 A 1 ATOM 252 O O . GLU A 1 29 ? 9.222 -14.745 10.745 1.00 91.18 29 A 1 ATOM 253 C CB . GLU A 1 29 ? 6.367 -14.648 9.358 1.00 90.85 29 A 1 ATOM 254 C CG . GLU A 1 29 ? 5.914 -16.117 9.211 1.00 82.91 29 A 1 ATOM 255 C CD . GLU A 1 29 ? 5.279 -16.441 7.837 1.00 81.54 29 A 1 ATOM 256 O OE1 . GLU A 1 29 ? 4.505 -17.422 7.765 1.00 73.84 29 A 1 ATOM 257 O OE2 . GLU A 1 29 ? 5.524 -15.730 6.827 1.00 75.73 29 A 1 ATOM 258 N N . PRO A 1 30 ? 8.007 -16.096 12.062 1.00 90.79 30 A 1 ATOM 259 C CA . PRO A 1 30 ? 9.156 -16.893 12.478 1.00 90.49 30 A 1 ATOM 260 C C . PRO A 1 30 ? 9.960 -17.439 11.289 1.00 89.95 30 A 1 ATOM 261 O O . PRO A 1 30 ? 9.402 -18.048 10.382 1.00 87.55 30 A 1 ATOM 262 C CB . PRO A 1 30 ? 8.585 -18.025 13.339 1.00 89.72 30 A 1 ATOM 263 C CG . PRO A 1 30 ? 7.308 -17.414 13.913 1.00 89.07 30 A 1 ATOM 264 C CD . PRO A 1 30 ? 6.808 -16.533 12.767 1.00 91.13 30 A 1 ATOM 265 N N . GLY A 1 31 ? 11.281 -17.250 11.333 1.00 92.51 31 A 1 ATOM 266 C CA . GLY A 1 31 ? 12.195 -17.654 10.257 1.00 92.05 31 A 1 ATOM 267 C C . GLY A 1 31 ? 12.490 -16.562 9.226 1.00 92.78 31 A 1 ATOM 268 O O . GLY A 1 31 ? 13.311 -16.792 8.343 1.00 90.08 31 A 1 ATOM 269 N N . TYR A 1 32 ? 11.875 -15.383 9.351 1.00 94.82 32 A 1 ATOM 270 C CA . TYR A 1 32 ? 12.135 -14.205 8.526 1.00 94.74 32 A 1 ATOM 271 C C . TYR A 1 32 ? 12.542 -13.012 9.397 1.00 94.42 32 A 1 ATOM 272 O O . TYR A 1 32 ? 12.039 -12.835 10.503 1.00 91.21 32 A 1 ATOM 273 C CB . TYR A 1 32 ? 10.899 -13.880 7.685 1.00 94.03 32 A 1 ATOM 274 C CG . TYR A 1 32 ? 10.467 -14.997 6.753 1.00 94.47 32 A 1 ATOM 275 C CD1 . TYR A 1 32 ? 11.149 -15.204 5.540 1.00 91.13 32 A 1 ATOM 276 C CD2 . TYR A 1 32 ? 9.396 -15.843 7.108 1.00 92.50 32 A 1 ATOM 277 C CE1 . TYR A 1 32 ? 10.751 -16.239 4.673 1.00 90.89 32 A 1 ATOM 278 C CE2 . TYR A 1 32 ? 8.998 -16.881 6.243 1.00 91.41 32 A 1 ATOM 279 C CZ . TYR A 1 32 ? 9.674 -17.077 5.021 1.00 92.08 32 A 1 ATOM 280 O OH . TYR A 1 32 ? 9.280 -18.067 4.176 1.00 90.23 32 A 1 ATOM 281 N N . ASN A 1 33 ? 13.461 -12.188 8.894 1.00 94.83 33 A 1 ATOM 282 C CA . ASN A 1 33 ? 13.891 -10.937 9.529 1.00 94.80 33 A 1 ATOM 283 C C . ASN A 1 33 ? 14.222 -9.841 8.504 1.00 96.03 33 A 1 ATOM 284 O O . ASN A 1 33 ? 14.849 -8.832 8.842 1.00 94.39 33 A 1 ATOM 285 C CB . ASN A 1 33 ? 15.070 -11.228 10.477 1.00 91.27 33 A 1 ATOM 286 C CG . ASN A 1 33 ? 16.331 -11.708 9.769 1.00 85.79 33 A 1 ATOM 287 O OD1 . ASN A 1 33 ? 16.396 -11.941 8.580 1.00 77.50 33 A 1 ATOM 288 N ND2 . ASN A 1 33 ? 17.401 -11.889 10.504 1.00 77.22 33 A 1 ATOM 289 N N . GLU A 1 34 ? 13.813 -10.032 7.253 1.00 97.02 34 A 1 ATOM 290 C CA . GLU A 1 34 ? 14.067 -9.123 6.149 1.00 97.36 34 A 1 ATOM 291 C C . GLU A 1 34 ? 13.318 -7.803 6.329 1.00 97.78 34 A 1 ATOM 292 O O . GLU A 1 34 ? 12.139 -7.757 6.694 1.00 97.34 34 A 1 ATOM 293 C CB . GLU A 1 34 ? 13.707 -9.767 4.799 1.00 96.88 34 A 1 ATOM 294 C CG . GLU A 1 34 ? 14.561 -10.986 4.423 1.00 94.11 34 A 1 ATOM 295 C CD . GLU A 1 34 ? 14.103 -12.317 5.042 1.00 94.03 34 A 1 ATOM 296 O OE1 . GLU A 1 34 ? 14.706 -13.351 4.676 1.00 86.87 34 A 1 ATOM 297 O OE2 . GLU A 1 34 ? 13.163 -12.315 5.860 1.00 88.06 34 A 1 ATOM 298 N N . THR A 1 35 ? 14.015 -6.707 6.028 1.00 98.05 35 A 1 ATOM 299 C CA . THR A 1 35 ? 13.440 -5.360 6.039 1.00 98.14 35 A 1 ATOM 300 C C . THR A 1 35 ? 13.144 -4.899 4.614 1.00 98.20 35 A 1 ATOM 301 O O . THR A 1 35 ? 13.986 -4.988 3.723 1.00 97.87 35 A 1 ATOM 302 C CB . THR A 1 35 ? 14.350 -4.370 6.775 1.00 97.89 35 A 1 ATOM 303 O OG1 . THR A 1 35 ? 14.503 -4.787 8.114 1.00 96.43 35 A 1 ATOM 304 C CG2 . THR A 1 35 ? 13.775 -2.954 6.828 1.00 96.20 35 A 1 ATOM 305 N N . PHE A 1 36 ? 11.949 -4.352 4.409 1.00 98.41 36 A 1 ATOM 306 C CA . PHE A 1 36 ? 11.439 -3.886 3.126 1.00 98.48 36 A 1 ATOM 307 C C . PHE A 1 36 ? 11.253 -2.377 3.158 1.00 98.50 36 A 1 ATOM 308 O O . PHE A 1 36 ? 10.776 -1.831 4.150 1.00 98.34 36 A 1 ATOM 309 C CB . PHE A 1 36 ? 10.121 -4.601 2.806 1.00 98.45 36 A 1 ATOM 310 C CG . PHE A 1 36 ? 10.256 -6.108 2.813 1.00 98.51 36 A 1 ATOM 311 C CD1 . PHE A 1 36 ? 10.699 -6.784 1.662 1.00 98.17 36 A 1 ATOM 312 C CD2 . PHE A 1 36 ? 10.029 -6.824 4.004 1.00 98.26 36 A 1 ATOM 313 C CE1 . PHE A 1 36 ? 10.927 -8.167 1.709 1.00 97.96 36 A 1 ATOM 314 C CE2 . PHE A 1 36 ? 10.264 -8.207 4.049 1.00 97.99 36 A 1 ATOM 315 C CZ . PHE A 1 36 ? 10.721 -8.877 2.904 1.00 98.05 36 A 1 ATOM 316 N N . CYS A 1 37 ? 11.596 -1.693 2.066 1.00 98.28 37 A 1 ATOM 317 C CA . CYS A 1 37 ? 11.404 -0.243 1.986 1.00 98.17 37 A 1 ATOM 318 C C . CYS A 1 37 ? 9.965 0.168 1.646 1.00 98.44 37 A 1 ATOM 319 O O . CYS A 1 37 ? 9.587 1.312 1.883 1.00 98.20 37 A 1 ATOM 320 C CB . CYS A 1 37 ? 12.424 0.351 1.008 1.00 97.72 37 A 1 ATOM 321 S SG . CYS A 1 37 ? 12.022 -0.069 -0.721 1.00 97.14 37 A 1 ATOM 322 N N . CYS A 1 38 ? 9.169 -0.725 1.056 1.00 98.45 38 A 1 ATOM 323 C CA . CYS A 1 38 ? 7.773 -0.489 0.692 1.00 98.56 38 A 1 ATOM 324 C C . CYS A 1 38 ? 7.015 -1.809 0.481 1.00 98.68 38 A 1 ATOM 325 O O . CYS A 1 38 ? 7.619 -2.868 0.302 1.00 98.64 38 A 1 ATOM 326 C CB . CYS A 1 38 ? 7.720 0.394 -0.567 1.00 98.44 38 A 1 ATOM 327 S SG . CYS A 1 38 ? 8.432 -0.434 -2.020 1.00 98.32 38 A 1 ATOM 328 N N . VAL A 1 39 ? 5.679 -1.732 0.429 1.00 98.73 39 A 1 ATOM 329 C CA . VAL A 1 39 ? 4.816 -2.911 0.218 1.00 98.81 39 A 1 ATOM 330 C C . VAL A 1 39 ? 5.039 -3.549 -1.158 1.00 98.82 39 A 1 ATOM 331 O O . VAL A 1 39 ? 4.939 -4.762 -1.273 1.00 98.76 39 A 1 ATOM 332 C CB . VAL A 1 39 ? 3.332 -2.561 0.429 1.00 98.79 39 A 1 ATOM 333 C CG1 . VAL A 1 39 ? 2.401 -3.765 0.234 1.00 98.46 39 A 1 ATOM 334 C CG2 . VAL A 1 39 ? 3.092 -2.032 1.849 1.00 98.37 39 A 1 ATOM 335 N N . GLU A 1 40 ? 5.405 -2.781 -2.187 1.00 98.62 40 A 1 ATOM 336 C CA . GLU A 1 40 ? 5.728 -3.335 -3.513 1.00 98.63 40 A 1 ATOM 337 C C . GLU A 1 40 ? 6.912 -4.310 -3.444 1.00 98.68 40 A 1 ATOM 338 O O . GLU A 1 40 ? 6.841 -5.398 -4.002 1.00 98.56 40 A 1 ATOM 339 C CB . GLU A 1 40 ? 6.034 -2.192 -4.491 1.00 98.50 40 A 1 ATOM 340 C CG . GLU A 1 40 ? 6.184 -2.647 -5.959 1.00 97.53 40 A 1 ATOM 341 C CD . GLU A 1 40 ? 4.860 -3.025 -6.648 1.00 97.68 40 A 1 ATOM 342 O OE1 . GLU A 1 40 ? 4.926 -3.645 -7.739 1.00 94.61 40 A 1 ATOM 343 O OE2 . GLU A 1 40 ? 3.789 -2.618 -6.155 1.00 95.35 40 A 1 ATOM 344 N N . GLN A 1 41 ? 7.982 -3.953 -2.719 1.00 98.59 41 A 1 ATOM 345 C CA . GLN A 1 41 ? 9.133 -4.844 -2.519 1.00 98.64 41 A 1 ATOM 346 C C . GLN A 1 41 ? 8.713 -6.137 -1.823 1.00 98.63 41 A 1 ATOM 347 O O . GLN A 1 41 ? 9.000 -7.227 -2.319 1.00 98.53 41 A 1 ATOM 348 C CB . GLN A 1 41 ? 10.217 -4.134 -1.698 1.00 98.57 41 A 1 ATOM 349 C CG . GLN A 1 41 ? 11.517 -4.953 -1.649 1.00 98.32 41 A 1 ATOM 350 C CD . GLN A 1 41 ? 12.608 -4.312 -0.800 1.00 98.29 41 A 1 ATOM 351 O OE1 . GLN A 1 41 ? 12.393 -3.366 -0.055 1.00 96.95 41 A 1 ATOM 352 N NE2 . GLN A 1 41 ? 13.828 -4.801 -0.881 1.00 96.38 41 A 1 ATOM 353 N N . TYR A 1 42 ? 7.989 -6.010 -0.711 1.00 98.61 42 A 1 ATOM 354 C CA . TYR A 1 42 ? 7.478 -7.141 0.055 1.00 98.63 42 A 1 ATOM 355 C C . TYR A 1 42 ? 6.596 -8.060 -0.793 1.00 98.63 42 A 1 ATOM 356 O O . TYR A 1 42 ? 6.787 -9.277 -0.808 1.00 98.53 42 A 1 ATOM 357 C CB . TYR A 1 42 ? 6.696 -6.608 1.259 1.00 98.58 42 A 1 ATOM 358 C CG . TYR A 1 42 ? 6.069 -7.712 2.085 1.00 98.54 42 A 1 ATOM 359 C CD1 . TYR A 1 42 ? 4.742 -8.121 1.851 1.00 98.19 42 A 1 ATOM 360 C CD2 . TYR A 1 42 ? 6.843 -8.368 3.057 1.00 98.23 42 A 1 ATOM 361 C CE1 . TYR A 1 42 ? 4.196 -9.190 2.584 1.00 97.93 42 A 1 ATOM 362 C CE2 . TYR A 1 42 ? 6.302 -9.434 3.791 1.00 97.90 42 A 1 ATOM 363 C CZ . TYR A 1 42 ? 4.979 -9.850 3.549 1.00 97.98 42 A 1 ATOM 364 O OH . TYR A 1 42 ? 4.468 -10.895 4.247 1.00 97.33 42 A 1 ATOM 365 N N . MET A 1 43 ? 5.637 -7.483 -1.528 1.00 98.75 43 A 1 ATOM 366 C CA . MET A 1 43 ? 4.703 -8.220 -2.379 1.00 98.75 43 A 1 ATOM 367 C C . MET A 1 43 ? 5.444 -9.041 -3.438 1.00 98.76 43 A 1 ATOM 368 O O . MET A 1 43 ? 5.148 -10.223 -3.612 1.00 98.61 43 A 1 ATOM 369 C CB . MET A 1 43 ? 3.728 -7.227 -3.022 1.00 98.63 43 A 1 ATOM 370 C CG . MET A 1 43 ? 2.735 -7.913 -3.968 1.00 97.70 43 A 1 ATOM 371 S SD . MET A 1 43 ? 1.473 -6.828 -4.683 1.00 97.13 43 A 1 ATOM 372 C CE . MET A 1 43 ? 2.477 -5.729 -5.705 1.00 92.37 43 A 1 ATOM 373 N N . MET A 1 44 ? 6.415 -8.438 -4.122 1.00 98.75 44 A 1 ATOM 374 C CA . MET A 1 44 ? 7.171 -9.126 -5.175 1.00 98.76 44 A 1 ATOM 375 C C . MET A 1 44 ? 8.134 -10.173 -4.619 1.00 98.76 44 A 1 ATOM 376 O O . MET A 1 44 ? 8.271 -11.240 -5.214 1.00 98.67 44 A 1 ATOM 377 C CB . MET A 1 44 ? 7.907 -8.103 -6.051 1.00 98.71 44 A 1 ATOM 378 C CG . MET A 1 44 ? 6.933 -7.181 -6.793 1.00 98.21 44 A 1 ATOM 379 S SD . MET A 1 44 ? 5.706 -8.031 -7.831 1.00 97.68 44 A 1 ATOM 380 C CE . MET A 1 44 ? 4.486 -6.713 -7.970 1.00 94.37 44 A 1 ATOM 381 N N . TRP A 1 45 ? 8.716 -9.933 -3.448 1.00 98.64 45 A 1 ATOM 382 C CA . TRP A 1 45 ? 9.517 -10.930 -2.741 1.00 98.60 45 A 1 ATOM 383 C C . TRP A 1 45 ? 8.676 -12.143 -2.314 1.00 98.59 45 A 1 ATOM 384 O O . TRP A 1 45 ? 9.014 -13.275 -2.653 1.00 98.51 45 A 1 ATOM 385 C CB . TRP A 1 45 ? 10.187 -10.262 -1.549 1.00 98.50 45 A 1 ATOM 386 C CG . TRP A 1 45 ? 10.926 -11.203 -0.654 1.00 98.32 45 A 1 ATOM 387 C CD1 . TRP A 1 45 ? 12.149 -11.726 -0.885 1.00 97.85 45 A 1 ATOM 388 C CD2 . TRP A 1 45 ? 10.497 -11.729 0.634 1.00 98.22 45 A 1 ATOM 389 N NE1 . TRP A 1 45 ? 12.517 -12.521 0.180 1.00 97.53 45 A 1 ATOM 390 C CE2 . TRP A 1 45 ? 11.544 -12.548 1.150 1.00 97.79 45 A 1 ATOM 391 C CE3 . TRP A 1 45 ? 9.339 -11.571 1.430 1.00 97.58 45 A 1 ATOM 392 C CZ2 . TRP A 1 45 ? 11.460 -13.160 2.412 1.00 96.96 45 A 1 ATOM 393 C CZ3 . TRP A 1 45 ? 9.242 -12.189 2.686 1.00 97.11 45 A 1 ATOM 394 C CH2 . TRP A 1 45 ? 10.304 -12.973 3.182 1.00 96.66 45 A 1 ATOM 395 N N . ARG A 1 46 ? 7.515 -11.937 -1.676 1.00 98.29 46 A 1 ATOM 396 C CA . ARG A 1 46 ? 6.595 -13.036 -1.306 1.00 98.21 46 A 1 ATOM 397 C C . ARG A 1 46 ? 6.051 -13.765 -2.530 1.00 98.30 46 A 1 ATOM 398 O O . ARG A 1 46 ? 5.855 -14.971 -2.463 1.00 98.17 46 A 1 ATOM 399 C CB . ARG A 1 46 ? 5.443 -12.535 -0.420 1.00 97.97 46 A 1 ATOM 400 C CG . ARG A 1 46 ? 5.862 -12.103 0.997 1.00 96.36 46 A 1 ATOM 401 C CD . ARG A 1 46 ? 6.441 -13.215 1.893 1.00 94.48 46 A 1 ATOM 402 N NE . ARG A 1 46 ? 5.426 -14.184 2.380 1.00 91.62 46 A 1 ATOM 403 C CZ . ARG A 1 46 ? 5.486 -14.846 3.544 1.00 89.74 46 A 1 ATOM 404 N NH1 . ARG A 1 46 ? 6.482 -14.747 4.361 1.00 83.26 46 A 1 ATOM 405 N NH2 . ARG A 1 46 ? 4.543 -15.630 3.945 1.00 84.64 46 A 1 ATOM 406 N N . LYS A 1 47 ? 5.830 -13.057 -3.650 1.00 98.47 47 A 1 ATOM 407 C CA . LYS A 1 47 ? 5.481 -13.676 -4.937 1.00 98.69 47 A 1 ATOM 408 C C . LYS A 1 47 ? 6.590 -14.614 -5.421 1.00 98.73 47 A 1 ATOM 409 O O . LYS A 1 47 ? 6.293 -15.741 -5.787 1.00 98.70 47 A 1 ATOM 410 C CB . LYS A 1 47 ? 5.166 -12.580 -5.965 1.00 98.73 47 A 1 ATOM 411 C CG . LYS A 1 47 ? 4.661 -13.176 -7.286 1.00 98.59 47 A 1 ATOM 412 C CD . LYS A 1 47 ? 4.410 -12.083 -8.330 1.00 98.22 47 A 1 ATOM 413 C CE . LYS A 1 47 ? 3.971 -12.753 -9.631 1.00 96.86 47 A 1 ATOM 414 N NZ . LYS A 1 47 ? 3.894 -11.794 -10.753 1.00 95.52 47 A 1 ATOM 415 N N . ALA A 1 48 ? 7.844 -14.184 -5.380 1.00 98.78 48 A 1 ATOM 416 C CA . ALA A 1 48 ? 8.971 -15.031 -5.777 1.00 98.76 48 A 1 ATOM 417 C C . ALA A 1 48 ? 9.084 -16.283 -4.888 1.00 98.70 48 A 1 ATOM 418 O O . ALA A 1 48 ? 9.211 -17.392 -5.405 1.00 98.59 48 A 1 ATOM 419 C CB . ALA A 1 48 ? 10.240 -14.175 -5.773 1.00 98.76 48 A 1 ATOM 420 N N . LEU A 1 49 ? 8.925 -16.139 -3.570 1.00 98.44 49 A 1 ATOM 421 C CA . LEU A 1 49 ? 8.898 -17.273 -2.639 1.00 98.24 49 A 1 ATOM 422 C C . LEU A 1 49 ? 7.719 -18.226 -2.888 1.00 98.37 49 A 1 ATOM 423 O O . LEU A 1 49 ? 7.908 -19.439 -2.850 1.00 98.19 49 A 1 ATOM 424 C CB . LEU A 1 49 ? 8.860 -16.768 -1.188 1.00 98.00 49 A 1 ATOM 425 C CG . LEU A 1 49 ? 10.124 -16.040 -0.698 1.00 97.28 49 A 1 ATOM 426 C CD1 . LEU A 1 49 ? 9.932 -15.728 0.785 1.00 96.15 49 A 1 ATOM 427 C CD2 . LEU A 1 49 ? 11.397 -16.870 -0.853 1.00 95.97 49 A 1 ATOM 428 N N . LEU A 1 50 ? 6.524 -17.700 -3.196 1.00 97.80 50 A 1 ATOM 429 C CA . LEU A 1 50 ? 5.338 -18.508 -3.526 1.00 98.12 50 A 1 ATOM 430 C C . LEU A 1 50 ? 5.612 -19.458 -4.700 1.00 98.41 50 A 1 ATOM 431 O O . LEU A 1 50 ? 5.215 -20.621 -4.663 1.00 98.34 50 A 1 ATOM 432 C CB . LEU A 1 50 ? 4.164 -17.560 -3.834 1.00 98.24 50 A 1 ATOM 433 C CG . LEU A 1 50 ? 2.855 -18.261 -4.260 1.00 97.92 50 A 1 ATOM 434 C CD1 . LEU A 1 50 ? 2.266 -19.097 -3.126 1.00 97.48 50 A 1 ATOM 435 C CD2 . LEU A 1 50 ? 1.828 -17.216 -4.683 1.00 97.54 50 A 1 ATOM 436 N N . PHE A 1 51 ? 6.325 -18.978 -5.710 1.00 98.58 51 A 1 ATOM 437 C CA . PHE A 1 51 ? 6.723 -19.758 -6.888 1.00 98.69 51 A 1 ATOM 438 C C . PHE A 1 51 ? 8.098 -20.435 -6.751 1.00 98.65 51 A 1 ATOM 439 O O . PHE A 1 51 ? 8.602 -20.991 -7.719 1.00 98.39 51 A 1 ATOM 440 C CB . PHE A 1 51 ? 6.592 -18.878 -8.138 1.00 98.74 51 A 1 ATOM 441 C CG . PHE A 1 51 ? 5.158 -18.465 -8.413 1.00 98.80 51 A 1 ATOM 442 C CD1 . PHE A 1 51 ? 4.226 -19.424 -8.843 1.00 98.56 51 A 1 ATOM 443 C CD2 . PHE A 1 51 ? 4.742 -17.142 -8.190 1.00 98.58 51 A 1 ATOM 444 C CE1 . PHE A 1 51 ? 2.880 -19.066 -9.028 1.00 98.41 51 A 1 ATOM 445 C CE2 . PHE A 1 51 ? 3.393 -16.785 -8.376 1.00 98.45 51 A 1 ATOM 446 C CZ . PHE A 1 51 ? 2.463 -17.750 -8.788 1.00 98.56 51 A 1 ATOM 447 N N . LYS A 1 52 ? 8.691 -20.426 -5.550 1.00 98.39 52 A 1 ATOM 448 C CA . LYS A 1 52 ? 9.997 -21.034 -5.228 1.00 98.45 52 A 1 ATOM 449 C C . LYS A 1 52 ? 11.171 -20.480 -6.058 1.00 98.60 52 A 1 ATOM 450 O O . LYS A 1 52 ? 12.196 -21.144 -6.205 1.00 98.40 52 A 1 ATOM 451 C CB . LYS A 1 52 ? 9.916 -22.572 -5.278 1.00 98.35 52 A 1 ATOM 452 C CG . LYS A 1 52 ? 8.765 -23.157 -4.442 1.00 97.40 52 A 1 ATOM 453 C CD . LYS A 1 52 ? 8.733 -24.681 -4.596 1.00 94.74 52 A 1 ATOM 454 C CE . LYS A 1 52 ? 7.566 -25.260 -3.790 1.00 92.04 52 A 1 ATOM 455 N NZ . LYS A 1 52 ? 7.464 -26.730 -3.952 1.00 84.09 52 A 1 ATOM 456 N N . ASP A 1 53 ? 11.044 -19.259 -6.563 1.00 98.57 53 A 1 ATOM 457 C CA . ASP A 1 53 ? 12.107 -18.565 -7.290 1.00 98.68 53 A 1 ATOM 458 C C . ASP A 1 53 ? 13.008 -17.802 -6.307 1.00 98.66 53 A 1 ATOM 459 O O . ASP A 1 53 ? 12.913 -16.585 -6.112 1.00 98.52 53 A 1 ATOM 460 C CB . ASP A 1 53 ? 11.507 -17.686 -8.386 1.00 98.68 53 A 1 ATOM 461 C CG . ASP A 1 53 ? 12.558 -17.210 -9.391 1.00 98.64 53 A 1 ATOM 462 O OD1 . ASP A 1 53 ? 13.765 -17.176 -9.043 1.00 97.97 53 A 1 ATOM 463 O OD2 . ASP A 1 53 ? 12.136 -16.880 -10.521 1.00 97.97 53 A 1 ATOM 464 N N . HIS A 1 54 ? 13.881 -18.559 -5.642 1.00 98.46 54 A 1 ATOM 465 C CA . HIS A 1 54 ? 14.798 -18.008 -4.638 1.00 98.26 54 A 1 ATOM 466 C C . HIS A 1 54 ? 15.837 -17.050 -5.231 1.00 98.25 54 A 1 ATOM 467 O O . HIS A 1 54 ? 16.297 -16.154 -4.523 1.00 97.99 54 A 1 ATOM 468 C CB . HIS A 1 54 ? 15.476 -19.160 -3.888 1.00 98.00 54 A 1 ATOM 469 C CG . HIS A 1 54 ? 14.497 -20.034 -3.139 1.00 97.40 54 A 1 ATOM 470 N ND1 . HIS A 1 54 ? 13.731 -19.651 -2.058 1.00 89.66 54 A 1 ATOM 471 C CD2 . HIS A 1 54 ? 14.173 -21.337 -3.418 1.00 90.73 54 A 1 ATOM 472 C CE1 . HIS A 1 54 ? 12.975 -20.703 -1.696 1.00 91.43 54 A 1 ATOM 473 N NE2 . HIS A 1 54 ? 13.208 -21.754 -2.494 1.00 92.50 54 A 1 ATOM 474 N N . ALA A 1 55 ? 16.176 -17.195 -6.511 1.00 98.11 55 A 1 ATOM 475 C CA . ALA A 1 55 ? 17.112 -16.293 -7.182 1.00 98.10 55 A 1 ATOM 476 C C . ALA A 1 55 ? 16.496 -14.894 -7.355 1.00 98.13 55 A 1 ATOM 477 O O . ALA A 1 55 ? 17.120 -13.892 -6.998 1.00 97.91 55 A 1 ATOM 478 C CB . ALA A 1 55 ? 17.525 -16.915 -8.523 1.00 98.02 55 A 1 ATOM 479 N N . ILE A 1 56 ? 15.243 -14.817 -7.826 1.00 98.20 56 A 1 ATOM 480 C CA . ILE A 1 56 ? 14.503 -13.551 -7.912 1.00 98.33 56 A 1 ATOM 481 C C . ILE A 1 56 ? 14.231 -12.975 -6.516 1.00 98.30 56 A 1 ATOM 482 O O . ILE A 1 56 ? 14.390 -11.770 -6.321 1.00 98.24 56 A 1 ATOM 483 C CB . ILE A 1 56 ? 13.206 -13.734 -8.732 1.00 98.35 56 A 1 ATOM 484 C CG1 . ILE A 1 56 ? 13.494 -14.047 -10.220 1.00 97.63 56 A 1 ATOM 485 C CG2 . ILE A 1 56 ? 12.288 -12.503 -8.621 1.00 97.88 56 A 1 ATOM 486 C CD1 . ILE A 1 56 ? 14.196 -12.941 -11.027 1.00 94.63 56 A 1 ATOM 487 N N . ALA A 1 57 ? 13.872 -13.813 -5.542 1.00 98.27 57 A 1 ATOM 488 C CA . ALA A 1 57 ? 13.660 -13.362 -4.165 1.00 98.21 57 A 1 ATOM 489 C C . ALA A 1 57 ? 14.923 -12.706 -3.575 1.00 98.14 57 A 1 ATOM 490 O O . ALA A 1 57 ? 14.833 -11.614 -3.015 1.00 98.10 57 A 1 ATOM 491 C CB . ALA A 1 57 ? 13.180 -14.548 -3.316 1.00 98.15 57 A 1 ATOM 492 N N . ALA A 1 58 ? 16.098 -13.323 -3.752 1.00 98.10 58 A 1 ATOM 493 C CA . ALA A 1 58 ? 17.376 -12.756 -3.312 1.00 98.02 58 A 1 ATOM 494 C C . ALA A 1 58 ? 17.689 -11.438 -4.039 1.00 98.01 58 A 1 ATOM 495 O O . ALA A 1 58 ? 17.963 -10.429 -3.388 1.00 97.81 58 A 1 ATOM 496 C CB . ALA A 1 58 ? 18.480 -13.802 -3.518 1.00 97.84 58 A 1 ATOM 497 N N . ALA A 1 59 ? 17.541 -11.403 -5.368 1.00 97.88 59 A 1 ATOM 498 C CA . ALA A 1 59 ? 17.797 -10.201 -6.167 1.00 97.76 59 A 1 ATOM 499 C C . ALA A 1 59 ? 16.897 -9.014 -5.767 1.00 97.80 59 A 1 ATOM 500 O O . ALA A 1 59 ? 17.336 -7.866 -5.796 1.00 97.35 59 A 1 ATOM 501 C CB . ALA A 1 59 ? 17.627 -10.566 -7.644 1.00 97.63 59 A 1 ATOM 502 N N . ILE A 1 60 ? 15.646 -9.264 -5.367 1.00 98.17 60 A 1 ATOM 503 C CA . ILE A 1 60 ? 14.734 -8.220 -4.855 1.00 98.20 60 A 1 ATOM 504 C C . ILE A 1 60 ? 15.253 -7.598 -3.550 1.00 98.07 60 A 1 ATOM 505 O O . ILE A 1 60 ? 15.056 -6.398 -3.330 1.00 97.75 60 A 1 ATOM 506 C CB . ILE A 1 60 ? 13.306 -8.801 -4.687 1.00 98.28 60 A 1 ATOM 507 C CG1 . ILE A 1 60 ? 12.660 -8.987 -6.078 1.00 97.98 60 A 1 ATOM 508 C CG2 . ILE A 1 60 ? 12.396 -7.911 -3.814 1.00 98.01 60 A 1 ATOM 509 C CD1 . ILE A 1 60 ? 11.401 -9.866 -6.068 1.00 97.52 60 A 1 ATOM 510 N N . LEU A 1 61 ? 15.903 -8.388 -2.688 1.00 98.00 61 A 1 ATOM 511 C CA . LEU A 1 61 ? 16.440 -7.913 -1.410 1.00 97.58 61 A 1 ATOM 512 C C . LEU A 1 61 ? 17.765 -7.163 -1.591 1.00 97.10 61 A 1 ATOM 513 O O . LEU A 1 61 ? 17.920 -6.064 -1.058 1.00 96.06 61 A 1 ATOM 514 C CB . LEU A 1 61 ? 16.614 -9.097 -0.442 1.00 97.48 61 A 1 ATOM 515 C CG . LEU A 1 61 ? 15.305 -9.786 -0.014 1.00 97.15 61 A 1 ATOM 516 C CD1 . LEU A 1 61 ? 15.633 -10.998 0.859 1.00 96.20 61 A 1 ATOM 517 C CD2 . LEU A 1 61 ? 14.386 -8.852 0.780 1.00 96.26 61 A 1 ATOM 518 N N . ASP A 1 62 ? 18.694 -7.725 -2.356 1.00 96.39 62 A 1 ATOM 519 C CA . ASP A 1 62 ? 20.057 -7.196 -2.505 1.00 95.31 62 A 1 ATOM 520 C C . ASP A 1 62 ? 20.219 -6.159 -3.629 1.00 95.06 62 A 1 ATOM 521 O O . ASP A 1 62 ? 21.238 -5.465 -3.692 1.00 91.71 62 A 1 ATOM 522 C CB . ASP A 1 62 ? 21.053 -8.362 -2.619 1.00 93.38 62 A 1 ATOM 523 C CG . ASP A 1 62 ? 20.969 -9.182 -3.916 1.00 88.50 62 A 1 ATOM 524 O OD1 . ASP A 1 62 ? 20.378 -8.703 -4.902 1.00 84.33 62 A 1 ATOM 525 O OD2 . ASP A 1 62 ? 21.537 -10.294 -3.935 1.00 84.17 62 A 1 ATOM 526 N N . HIS A 1 63 ? 19.196 -6.002 -4.488 1.00 95.51 63 A 1 ATOM 527 C CA . HIS A 1 63 ? 19.193 -5.111 -5.651 1.00 95.01 63 A 1 ATOM 528 C C . HIS A 1 63 ? 20.269 -5.441 -6.701 1.00 94.88 63 A 1 ATOM 529 O O . HIS A 1 63 ? 20.605 -4.585 -7.522 1.00 92.17 63 A 1 ATOM 530 C CB . HIS A 1 63 ? 19.211 -3.632 -5.222 1.00 94.03 63 A 1 ATOM 531 C CG . HIS A 1 63 ? 18.194 -3.256 -4.183 1.00 93.37 63 A 1 ATOM 532 N ND1 . HIS A 1 63 ? 18.275 -3.506 -2.834 1.00 85.35 63 A 1 ATOM 533 C CD2 . HIS A 1 63 ? 17.018 -2.597 -4.411 1.00 85.41 63 A 1 ATOM 534 C CE1 . HIS A 1 63 ? 17.163 -3.026 -2.259 1.00 86.88 63 A 1 ATOM 535 N NE2 . HIS A 1 63 ? 16.378 -2.445 -3.177 1.00 87.77 63 A 1 ATOM 536 N N . SER A 1 64 ? 20.773 -6.675 -6.726 1.00 93.10 64 A 1 ATOM 537 C CA . SER A 1 64 ? 21.881 -7.121 -7.594 1.00 92.56 64 A 1 ATOM 538 C C . SER A 1 64 ? 21.659 -6.906 -9.096 1.00 93.25 64 A 1 ATOM 539 O O . SER A 1 64 ? 22.621 -6.836 -9.862 1.00 90.75 64 A 1 ATOM 540 C CB . SER A 1 64 ? 22.151 -8.607 -7.354 1.00 91.68 64 A 1 ATOM 541 O OG . SER A 1 64 ? 20.967 -9.368 -7.472 1.00 91.03 64 A 1 ATOM 542 N N . THR A 1 65 ? 20.413 -6.765 -9.544 1.00 93.87 65 A 1 ATOM 543 C CA . THR A 1 65 ? 20.053 -6.578 -10.962 1.00 94.49 65 A 1 ATOM 544 C C . THR A 1 65 ? 19.323 -5.259 -11.242 1.00 95.91 65 A 1 ATOM 545 O O . THR A 1 65 ? 18.651 -5.121 -12.273 1.00 95.12 65 A 1 ATOM 546 C CB . THR A 1 65 ? 19.281 -7.789 -11.507 1.00 93.70 65 A 1 ATOM 547 O OG1 . THR A 1 65 ? 18.028 -7.910 -10.883 1.00 91.77 65 A 1 ATOM 548 C CG2 . THR A 1 65 ? 20.013 -9.117 -11.310 1.00 90.19 65 A 1 ATOM 549 N N . ILE A 1 66 ? 19.418 -4.274 -10.338 1.00 94.80 66 A 1 ATOM 550 C CA . ILE A 1 66 ? 18.869 -2.930 -10.568 1.00 95.70 66 A 1 ATOM 551 C C . ILE A 1 66 ? 19.655 -2.232 -11.685 1.00 95.76 66 A 1 ATOM 552 O O . ILE A 1 66 ? 20.876 -2.336 -11.763 1.00 94.89 66 A 1 ATOM 553 C CB . ILE A 1 66 ? 18.805 -2.109 -9.264 1.00 95.54 66 A 1 ATOM 554 C CG1 . ILE A 1 66 ? 17.826 -0.924 -9.428 1.00 94.15 66 A 1 ATOM 555 C CG2 . ILE A 1 66 ? 20.194 -1.629 -8.798 1.00 92.91 66 A 1 ATOM 556 C CD1 . ILE A 1 66 ? 17.488 -0.209 -8.115 1.00 91.51 66 A 1 ATOM 557 N N . ARG A 1 67 ? 18.958 -1.543 -12.575 1.00 96.93 67 A 1 ATOM 558 C CA . ARG A 1 67 ? 19.566 -0.804 -13.689 1.00 96.64 67 A 1 ATOM 559 C C . ARG A 1 67 ? 19.932 0.608 -13.253 1.00 96.83 67 A 1 ATOM 560 O O . ARG A 1 67 ? 19.302 1.168 -12.355 1.00 96.43 67 A 1 ATOM 561 C CB . ARG A 1 67 ? 18.603 -0.767 -14.881 1.00 96.62 67 A 1 ATOM 562 C CG . ARG A 1 67 ? 18.235 -2.162 -15.395 1.00 95.74 67 A 1 ATOM 563 C CD . ARG A 1 67 ? 17.079 -2.040 -16.390 1.00 94.24 67 A 1 ATOM 564 N NE . ARG A 1 67 ? 16.683 -3.355 -16.912 1.00 91.76 67 A 1 ATOM 565 C CZ . ARG A 1 67 ? 15.621 -3.604 -17.658 1.00 88.52 67 A 1 ATOM 566 N NH1 . ARG A 1 67 ? 14.778 -2.662 -17.987 1.00 85.19 67 A 1 ATOM 567 N NH2 . ARG A 1 67 ? 15.390 -4.813 -18.089 1.00 84.15 67 A 1 ATOM 568 N N . ASP A 1 68 ? 20.893 1.215 -13.949 1.00 96.08 68 A 1 ATOM 569 C CA . ASP A 1 68 ? 21.235 2.621 -13.739 1.00 95.44 68 A 1 ATOM 570 C C . ASP A 1 68 ? 19.995 3.516 -13.853 1.00 94.84 68 A 1 ATOM 571 O O . ASP A 1 68 ? 19.208 3.423 -14.802 1.00 92.15 68 A 1 ATOM 572 C CB . ASP A 1 68 ? 22.312 3.076 -14.739 1.00 94.82 68 A 1 ATOM 573 C CG . ASP A 1 68 ? 23.660 2.386 -14.526 1.00 90.11 68 A 1 ATOM 574 O OD1 . ASP A 1 68 ? 23.890 1.885 -13.404 1.00 86.02 68 A 1 ATOM 575 O OD2 . ASP A 1 68 ? 24.433 2.369 -15.503 1.00 86.65 68 A 1 ATOM 576 N N . ASN A 1 69 ? 19.807 4.397 -12.863 1.00 96.53 69 A 1 ATOM 577 C CA . ASN A 1 69 ? 18.664 5.315 -12.752 1.00 96.24 69 A 1 ATOM 578 C C . ASN A 1 69 ? 17.278 4.643 -12.671 1.00 96.72 69 A 1 ATOM 579 O O . ASN A 1 69 ? 16.251 5.329 -12.737 1.00 95.17 69 A 1 ATOM 580 C CB . ASN A 1 69 ? 18.755 6.384 -13.856 1.00 95.23 69 A 1 ATOM 581 C CG . ASN A 1 69 ? 20.091 7.100 -13.838 1.00 90.75 69 A 1 ATOM 582 O OD1 . ASN A 1 69 ? 20.479 7.678 -12.841 1.00 83.63 69 A 1 ATOM 583 N ND2 . ASN A 1 69 ? 20.832 7.077 -14.919 1.00 83.02 69 A 1 ATOM 584 N N . GLU A 1 70 ? 17.197 3.315 -12.489 1.00 96.72 70 A 1 ATOM 585 C CA . GLU A 1 70 ? 15.922 2.631 -12.267 1.00 96.96 70 A 1 ATOM 586 C C . GLU A 1 70 ? 15.389 2.946 -10.865 1.00 96.98 70 A 1 ATOM 587 O O . GLU A 1 70 ? 16.054 2.760 -9.844 1.00 96.25 70 A 1 ATOM 588 C CB . GLU A 1 70 ? 16.060 1.117 -12.521 1.00 96.53 70 A 1 ATOM 589 C CG . GLU A 1 70 ? 14.711 0.368 -12.472 1.00 96.26 70 A 1 ATOM 590 C CD . GLU A 1 70 ? 14.820 -1.115 -12.865 1.00 96.94 70 A 1 ATOM 591 O OE1 . GLU A 1 70 ? 13.885 -1.655 -13.511 1.00 94.35 70 A 1 ATOM 592 O OE2 . GLU A 1 70 ? 15.826 -1.782 -12.556 1.00 95.38 70 A 1 ATOM 593 N N . ARG A 1 71 ? 14.142 3.403 -10.792 1.00 97.29 71 A 1 ATOM 594 C CA . ARG A 1 71 ? 13.468 3.599 -9.509 1.00 96.92 71 A 1 ATOM 595 C C . ARG A 1 71 ? 13.236 2.249 -8.828 1.00 97.63 71 A 1 ATOM 596 O O . ARG A 1 71 ? 12.685 1.345 -9.453 1.00 97.37 71 A 1 ATOM 597 C CB . ARG A 1 71 ? 12.165 4.360 -9.736 1.00 95.50 71 A 1 ATOM 598 C CG . ARG A 1 71 ? 11.432 4.624 -8.414 1.00 89.48 71 A 1 ATOM 599 C CD . ARG A 1 71 ? 10.158 5.431 -8.633 1.00 86.51 71 A 1 ATOM 600 N NE . ARG A 1 71 ? 10.470 6.808 -9.071 1.00 81.14 71 A 1 ATOM 601 C CZ . ARG A 1 71 ? 9.629 7.816 -9.029 1.00 75.67 71 A 1 ATOM 602 N NH1 . ARG A 1 71 ? 8.404 7.660 -8.622 1.00 68.89 71 A 1 ATOM 603 N NH2 . ARG A 1 71 ? 10.004 9.013 -9.380 1.00 68.28 71 A 1 ATOM 604 N N . LYS A 1 72 ? 13.529 2.142 -7.520 1.00 97.16 72 A 1 ATOM 605 C CA . LYS A 1 72 ? 13.390 0.894 -6.744 1.00 97.27 72 A 1 ATOM 606 C C . LYS A 1 72 ? 12.027 0.210 -6.923 1.00 97.92 72 A 1 ATOM 607 O O . LYS A 1 72 ? 11.974 -0.983 -7.189 1.00 97.80 72 A 1 ATOM 608 C CB . LYS A 1 72 ? 13.663 1.154 -5.253 1.00 96.58 72 A 1 ATOM 609 C CG . LYS A 1 72 ? 15.145 1.412 -4.961 1.00 94.84 72 A 1 ATOM 610 C CD . LYS A 1 72 ? 15.397 1.457 -3.447 1.00 91.80 72 A 1 ATOM 611 C CE . LYS A 1 72 ? 16.896 1.606 -3.163 1.00 87.74 72 A 1 ATOM 612 N NZ . LYS A 1 72 ? 17.209 1.428 -1.722 1.00 80.45 72 A 1 ATOM 613 N N . GLN A 1 73 ? 10.919 0.939 -6.872 1.00 97.44 73 A 1 ATOM 614 C CA . GLN A 1 73 ? 9.583 0.348 -7.036 1.00 97.55 73 A 1 ATOM 615 C C . GLN A 1 73 ? 9.345 -0.209 -8.450 1.00 97.92 73 A 1 ATOM 616 O O . GLN A 1 73 ? 8.690 -1.239 -8.610 1.00 97.62 73 A 1 ATOM 617 C CB . GLN A 1 73 ? 8.501 1.373 -6.693 1.00 96.91 73 A 1 ATOM 618 C CG . GLN A 1 73 ? 8.578 1.950 -5.267 1.00 95.54 73 A 1 ATOM 619 C CD . GLN A 1 73 ? 9.406 3.224 -5.147 1.00 95.34 73 A 1 ATOM 620 O OE1 . GLN A 1 73 ? 10.332 3.515 -5.899 1.00 91.65 73 A 1 ATOM 621 N NE2 . GLN A 1 73 ? 9.100 4.065 -4.185 1.00 89.87 73 A 1 ATOM 622 N N . ALA A 1 74 ? 9.896 0.439 -9.476 1.00 97.85 74 A 1 ATOM 623 C CA . ALA A 1 74 ? 9.846 -0.067 -10.848 1.00 97.82 74 A 1 ATOM 624 C C . ALA A 1 74 ? 10.700 -1.335 -11.000 1.00 98.12 74 A 1 ATOM 625 O O . ALA A 1 74 ? 10.264 -2.289 -11.651 1.00 98.02 74 A 1 ATOM 626 C CB . ALA A 1 74 ? 10.286 1.041 -11.813 1.00 97.49 74 A 1 ATOM 627 N N . TYR A 1 75 ? 11.871 -1.372 -10.340 1.00 98.24 75 A 1 ATOM 628 C CA . TYR A 1 75 ? 12.706 -2.564 -10.228 1.00 98.46 75 A 1 ATOM 629 C C . TYR A 1 75 ? 11.936 -3.731 -9.602 1.00 98.58 75 A 1 ATOM 630 O O . TYR A 1 75 ? 11.817 -4.777 -10.238 1.00 98.52 75 A 1 ATOM 631 C CB . TYR A 1 75 ? 13.977 -2.227 -9.434 1.00 98.43 75 A 1 ATOM 632 C CG . TYR A 1 75 ? 14.775 -3.445 -9.029 1.00 98.43 75 A 1 ATOM 633 C CD1 . TYR A 1 75 ? 14.863 -3.830 -7.676 1.00 97.87 75 A 1 ATOM 634 C CD2 . TYR A 1 75 ? 15.405 -4.213 -10.020 1.00 97.99 75 A 1 ATOM 635 C CE1 . TYR A 1 75 ? 15.603 -4.972 -7.320 1.00 97.67 75 A 1 ATOM 636 C CE2 . TYR A 1 75 ? 16.138 -5.353 -9.663 1.00 97.60 75 A 1 ATOM 637 C CZ . TYR A 1 75 ? 16.244 -5.733 -8.317 1.00 97.87 75 A 1 ATOM 638 O OH . TYR A 1 75 ? 16.969 -6.830 -7.985 1.00 97.25 75 A 1 ATOM 639 N N . TYR A 1 76 ? 11.312 -3.545 -8.443 1.00 98.51 76 A 1 ATOM 640 C CA . TYR A 1 76 ? 10.539 -4.608 -7.785 1.00 98.58 76 A 1 ATOM 641 C C . TYR A 1 76 ? 9.411 -5.134 -8.676 1.00 98.58 76 A 1 ATOM 642 O O . TYR A 1 76 ? 9.267 -6.345 -8.847 1.00 98.45 76 A 1 ATOM 643 C CB . TYR A 1 76 ? 9.972 -4.110 -6.452 1.00 98.54 76 A 1 ATOM 644 C CG . TYR A 1 76 ? 10.986 -3.515 -5.497 1.00 98.50 76 A 1 ATOM 645 C CD1 . TYR A 1 76 ? 12.269 -4.076 -5.351 1.00 97.97 76 A 1 ATOM 646 C CD2 . TYR A 1 76 ? 10.637 -2.368 -4.755 1.00 98.04 76 A 1 ATOM 647 C CE1 . TYR A 1 76 ? 13.203 -3.486 -4.480 1.00 97.62 76 A 1 ATOM 648 C CE2 . TYR A 1 76 ? 11.563 -1.780 -3.882 1.00 97.58 76 A 1 ATOM 649 C CZ . TYR A 1 76 ? 12.847 -2.335 -3.745 1.00 97.73 76 A 1 ATOM 650 O OH . TYR A 1 76 ? 13.736 -1.760 -2.902 1.00 96.86 76 A 1 ATOM 651 N N . LYS A 1 77 ? 8.658 -4.239 -9.333 1.00 98.15 77 A 1 ATOM 652 C CA . LYS A 1 77 ? 7.605 -4.618 -10.286 1.00 97.92 77 A 1 ATOM 653 C C . LYS A 1 77 ? 8.161 -5.410 -11.473 1.00 98.15 77 A 1 ATOM 654 O O . LYS A 1 77 ? 7.533 -6.369 -11.922 1.00 97.99 77 A 1 ATOM 655 C CB . LYS A 1 77 ? 6.847 -3.352 -10.722 1.00 97.39 77 A 1 ATOM 656 C CG . LYS A 1 77 ? 5.595 -3.674 -11.552 1.00 95.24 77 A 1 ATOM 657 C CD . LYS A 1 77 ? 4.686 -2.440 -11.693 1.00 91.98 77 A 1 ATOM 658 C CE . LYS A 1 77 ? 3.352 -2.816 -12.359 1.00 86.71 77 A 1 ATOM 659 N NZ . LYS A 1 77 ? 2.276 -1.814 -12.113 1.00 78.84 77 A 1 ATOM 660 N N . ARG A 1 78 ? 9.335 -5.031 -11.984 1.00 98.30 78 A 1 ATOM 661 C CA . ARG A 1 78 ? 10.028 -5.766 -13.051 1.00 98.33 78 A 1 ATOM 662 C C . ARG A 1 78 ? 10.459 -7.157 -12.587 1.00 98.46 78 A 1 ATOM 663 O O . ARG A 1 78 ? 10.179 -8.123 -13.293 1.00 98.37 78 A 1 ATOM 664 C CB . ARG A 1 78 ? 11.219 -4.930 -13.565 1.00 98.15 78 A 1 ATOM 665 C CG . ARG A 1 78 ? 12.005 -5.657 -14.663 1.00 97.50 78 A 1 ATOM 666 C CD . ARG A 1 78 ? 13.115 -4.793 -15.258 1.00 97.38 78 A 1 ATOM 667 N NE . ARG A 1 78 ? 14.128 -4.364 -14.287 1.00 96.61 78 A 1 ATOM 668 C CZ . ARG A 1 78 ? 15.141 -5.051 -13.789 1.00 97.15 78 A 1 ATOM 669 N NH1 . ARG A 1 78 ? 15.324 -6.322 -14.004 1.00 94.09 78 A 1 ATOM 670 N NH2 . ARG A 1 78 ? 16.026 -4.440 -13.061 1.00 94.88 78 A 1 ATOM 671 N N . MET A 1 79 ? 11.063 -7.271 -11.412 1.00 98.37 79 A 1 ATOM 672 C CA . MET A 1 79 ? 11.473 -8.558 -10.837 1.00 98.42 79 A 1 ATOM 673 C C . MET A 1 79 ? 10.267 -9.471 -10.600 1.00 98.52 79 A 1 ATOM 674 O O . MET A 1 79 ? 10.278 -10.627 -11.017 1.00 98.36 79 A 1 ATOM 675 C CB . MET A 1 79 ? 12.257 -8.334 -9.539 1.00 98.28 79 A 1 ATOM 676 C CG . MET A 1 79 ? 13.579 -7.591 -9.759 1.00 97.15 79 A 1 ATOM 677 S SD . MET A 1 79 ? 14.635 -8.244 -11.081 1.00 95.18 79 A 1 ATOM 678 C CE . MET A 1 79 ? 15.155 -9.793 -10.318 1.00 87.94 79 A 1 ATOM 679 N N . GLY A 1 80 ? 9.173 -8.945 -10.064 1.00 98.41 80 A 1 ATOM 680 C CA . GLY A 1 80 ? 7.935 -9.711 -9.885 1.00 98.30 80 A 1 ATOM 681 C C . GLY A 1 80 ? 7.302 -10.213 -11.191 1.00 98.45 80 A 1 ATOM 682 O O . GLY A 1 80 ? 6.581 -11.211 -11.182 1.00 98.23 80 A 1 ATOM 683 N N . ARG A 1 81 ? 7.551 -9.545 -12.328 1.00 98.50 81 A 1 ATOM 684 C CA . ARG A 1 81 ? 7.152 -10.038 -13.664 1.00 98.37 81 A 1 ATOM 685 C C . ARG A 1 81 ? 8.086 -11.119 -14.211 1.00 98.54 81 A 1 ATOM 686 O O . ARG A 1 81 ? 7.663 -11.861 -15.083 1.00 98.20 81 A 1 ATOM 687 C CB . ARG A 1 81 ? 7.078 -8.874 -14.660 1.00 97.79 81 A 1 ATOM 688 C CG . ARG A 1 81 ? 5.876 -7.959 -14.412 1.00 95.41 81 A 1 ATOM 689 C CD . ARG A 1 81 ? 6.003 -6.723 -15.304 1.00 92.56 81 A 1 ATOM 690 N NE . ARG A 1 81 ? 4.833 -5.830 -15.179 1.00 84.17 81 A 1 ATOM 691 C CZ . ARG A 1 81 ? 4.683 -4.666 -15.784 1.00 79.05 81 A 1 ATOM 692 N NH1 . ARG A 1 81 ? 5.622 -4.152 -16.529 1.00 72.41 81 A 1 ATOM 693 N NH2 . ARG A 1 81 ? 3.571 -3.993 -15.659 1.00 70.58 81 A 1 ATOM 694 N N . ALA A 1 82 ? 9.314 -11.175 -13.718 1.00 98.32 82 A 1 ATOM 695 C CA . ALA A 1 82 ? 10.329 -12.131 -14.143 1.00 98.32 82 A 1 ATOM 696 C C . ALA A 1 82 ? 10.306 -13.453 -13.350 1.00 98.55 82 A 1 ATOM 697 O O . ALA A 1 82 ? 11.083 -14.344 -13.667 1.00 98.27 82 A 1 ATOM 698 C CB . ALA A 1 82 ? 11.695 -11.431 -14.065 1.00 97.95 82 A 1 ATOM 699 N N . VAL A 1 83 ? 9.430 -13.587 -12.351 1.00 98.71 83 A 1 ATOM 700 C CA . VAL A 1 83 ? 9.312 -14.793 -11.517 1.00 98.77 83 A 1 ATOM 701 C C . VAL A 1 83 ? 9.015 -16.026 -12.380 1.00 98.76 83 A 1 ATOM 702 O O . VAL A 1 83 ? 7.999 -16.083 -13.082 1.00 98.59 83 A 1 ATOM 703 C CB . VAL A 1 83 ? 8.236 -14.604 -10.430 1.00 98.70 83 A 1 ATOM 704 C CG1 . VAL A 1 83 ? 7.939 -15.889 -9.651 1.00 98.18 83 A 1 ATOM 705 C CG2 . VAL A 1 83 ? 8.683 -13.554 -9.401 1.00 98.07 83 A 1 ATOM 706 N N . SER A 1 84 ? 9.905 -17.015 -12.304 1.00 98.65 84 A 1 ATOM 707 C CA . SER A 1 84 ? 9.783 -18.291 -13.010 1.00 98.48 84 A 1 ATOM 708 C C . SER A 1 84 ? 8.660 -19.151 -12.426 1.00 98.52 84 A 1 ATOM 709 O O . SER A 1 84 ? 8.354 -19.085 -11.234 1.00 97.83 84 A 1 ATOM 710 C CB . SER A 1 84 ? 11.110 -19.046 -12.962 1.00 97.85 84 A 1 ATOM 711 O OG . SER A 1 84 ? 11.046 -20.176 -13.807 1.00 85.44 84 A 1 ATOM 712 N N . GLY A 1 85 ? 8.012 -19.956 -13.272 1.00 97.77 85 A 1 ATOM 713 C CA . GLY A 1 85 ? 6.922 -20.841 -12.840 1.00 97.57 85 A 1 ATOM 714 C C . GLY A 1 85 ? 5.629 -20.117 -12.434 1.00 98.14 85 A 1 ATOM 715 O O . GLY A 1 85 ? 4.768 -20.726 -11.806 1.00 97.30 85 A 1 ATOM 716 N N . PHE A 1 86 ? 5.485 -18.830 -12.788 1.00 98.47 86 A 1 ATOM 717 C CA . PHE A 1 86 ? 4.289 -18.050 -12.461 1.00 98.55 86 A 1 ATOM 718 C C . PHE A 1 86 ? 3.003 -18.722 -12.971 1.00 98.61 86 A 1 ATOM 719 O O . PHE A 1 86 ? 2.855 -18.994 -14.163 1.00 98.38 86 A 1 ATOM 720 C CB . PHE A 1 86 ? 4.415 -16.632 -13.035 1.00 98.45 86 A 1 ATOM 721 C CG . PHE A 1 86 ? 3.169 -15.790 -12.834 1.00 98.49 86 A 1 ATOM 722 C CD1 . PHE A 1 86 ? 2.262 -15.595 -13.895 1.00 98.03 86 A 1 ATOM 723 C CD2 . PHE A 1 86 ? 2.882 -15.248 -11.571 1.00 98.16 86 A 1 ATOM 724 C CE1 . PHE A 1 86 ? 1.082 -14.858 -13.690 1.00 97.80 86 A 1 ATOM 725 C CE2 . PHE A 1 86 ? 1.701 -14.510 -11.364 1.00 97.80 86 A 1 ATOM 726 C CZ . PHE A 1 86 ? 0.800 -14.313 -12.426 1.00 97.88 86 A 1 ATOM 727 N N . ASN A 1 87 ? 2.047 -18.898 -12.071 1.00 98.71 87 A 1 ATOM 728 C CA . ASN A 1 87 ? 0.690 -19.344 -12.368 1.00 98.69 87 A 1 ATOM 729 C C . ASN A 1 87 ? -0.302 -18.288 -11.851 1.00 98.72 87 A 1 ATOM 730 O O . ASN A 1 87 ? -0.212 -17.850 -10.700 1.00 98.57 87 A 1 ATOM 731 C CB . ASN A 1 87 ? 0.482 -20.743 -11.756 1.00 98.51 87 A 1 ATOM 732 C CG . ASN A 1 87 ? -0.941 -21.219 -11.938 1.00 98.06 87 A 1 ATOM 733 O OD1 . ASN A 1 87 ? -1.831 -20.740 -11.268 1.00 94.75 87 A 1 ATOM 734 N ND2 . ASN A 1 87 ? -1.209 -22.105 -12.859 1.00 93.85 87 A 1 ATOM 735 N N . ASN A 1 88 ? -1.209 -17.833 -12.721 1.00 98.72 88 A 1 ATOM 736 C CA . ASN A 1 88 ? -2.131 -16.751 -12.389 1.00 98.61 88 A 1 ATOM 737 C C . ASN A 1 88 ? -3.121 -17.152 -11.293 1.00 98.67 88 A 1 ATOM 738 O O . ASN A 1 88 ? -3.292 -16.382 -10.352 1.00 98.54 88 A 1 ATOM 739 C CB . ASN A 1 88 ? -2.846 -16.258 -13.653 1.00 98.21 88 A 1 ATOM 740 C CG . ASN A 1 88 ? -3.673 -15.024 -13.332 1.00 96.98 88 A 1 ATOM 741 O OD1 . ASN A 1 88 ? -3.135 -13.946 -13.092 1.00 92.56 88 A 1 ATOM 742 N ND2 . ASN A 1 88 ? -4.976 -15.158 -13.260 1.00 91.52 88 A 1 ATOM 743 N N . ASP A 1 89 ? -3.707 -18.340 -11.366 1.00 98.51 89 A 1 ATOM 744 C CA . ASP A 1 89 ? -4.730 -18.788 -10.414 1.00 98.56 89 A 1 ATOM 745 C C . ASP A 1 89 ? -4.134 -18.887 -9.002 1.00 98.60 89 A 1 ATOM 746 O O . ASP A 1 89 ? -4.643 -18.289 -8.054 1.00 98.35 89 A 1 ATOM 747 C CB . ASP A 1 89 ? -5.328 -20.131 -10.878 1.00 98.49 89 A 1 ATOM 748 C CG . ASP A 1 89 ? -5.887 -20.107 -12.308 1.00 97.51 89 A 1 ATOM 749 O OD1 . ASP A 1 89 ? -6.178 -19.004 -12.822 1.00 95.49 89 A 1 ATOM 750 O OD2 . ASP A 1 89 ? -5.909 -21.195 -12.925 1.00 95.42 89 A 1 ATOM 751 N N . MET A 1 90 ? -2.946 -19.498 -8.883 1.00 98.49 90 A 1 ATOM 752 C CA . MET A 1 90 ? -2.204 -19.552 -7.623 1.00 98.44 90 A 1 ATOM 753 C C . MET A 1 90 ? -1.878 -18.150 -7.085 1.00 98.45 90 A 1 ATOM 754 O O . MET A 1 90 ? -1.929 -17.911 -5.874 1.00 98.11 90 A 1 ATOM 755 C CB . MET A 1 90 ? -0.916 -20.360 -7.835 1.00 98.21 90 A 1 ATOM 756 C CG . MET A 1 90 ? -0.140 -20.567 -6.524 1.00 94.77 90 A 1 ATOM 757 S SD . MET A 1 90 ? 1.428 -21.458 -6.676 1.00 92.41 90 A 1 ATOM 758 C CE . MET A 1 90 ? 0.831 -23.099 -7.167 1.00 81.46 90 A 1 ATOM 759 N N . TRP A 1 91 ? -1.524 -17.198 -7.965 1.00 98.71 91 A 1 ATOM 760 C CA . TRP A 1 91 ? -1.294 -15.817 -7.543 1.00 98.71 91 A 1 ATOM 761 C C . TRP A 1 91 ? -2.585 -15.154 -7.056 1.00 98.68 91 A 1 ATOM 762 O O . TRP A 1 91 ? -2.561 -14.490 -6.018 1.00 98.54 91 A 1 ATOM 763 C CB . TRP A 1 91 ? -0.646 -15.009 -8.672 1.00 98.64 91 A 1 ATOM 764 C CG . TRP A 1 91 ? -0.459 -13.556 -8.350 1.00 98.65 91 A 1 ATOM 765 C CD1 . TRP A 1 91 ? -1.020 -12.522 -9.016 1.00 98.43 91 A 1 ATOM 766 C CD2 . TRP A 1 91 ? 0.276 -12.957 -7.236 1.00 98.61 91 A 1 ATOM 767 N NE1 . TRP A 1 91 ? -0.675 -11.329 -8.413 1.00 98.29 91 A 1 ATOM 768 C CE2 . TRP A 1 91 ? 0.116 -11.540 -7.300 1.00 98.44 91 A 1 ATOM 769 C CE3 . TRP A 1 91 ? 1.048 -13.467 -6.165 1.00 98.46 91 A 1 ATOM 770 C CZ2 . TRP A 1 91 ? 0.693 -10.672 -6.353 1.00 98.19 91 A 1 ATOM 771 C CZ3 . TRP A 1 91 ? 1.629 -12.605 -5.209 1.00 98.11 91 A 1 ATOM 772 C CH2 . TRP A 1 91 ? 1.451 -11.213 -5.300 1.00 98.03 91 A 1 ATOM 773 N N . GLU A 1 92 ? -3.704 -15.334 -7.759 1.00 98.37 92 A 1 ATOM 774 C CA . GLU A 1 92 ? -5.005 -14.764 -7.384 1.00 98.23 92 A 1 ATOM 775 C C . GLU A 1 92 ? -5.507 -15.294 -6.034 1.00 98.22 92 A 1 ATOM 776 O O . GLU A 1 92 ? -5.993 -14.503 -5.223 1.00 97.99 92 A 1 ATOM 777 C CB . GLU A 1 92 ? -6.044 -14.993 -8.491 1.00 97.97 92 A 1 ATOM 778 C CG . GLU A 1 92 ? -5.688 -14.185 -9.752 1.00 96.04 92 A 1 ATOM 779 C CD . GLU A 1 92 ? -6.888 -13.884 -10.645 1.00 94.43 92 A 1 ATOM 780 O OE1 . GLU A 1 92 ? -6.919 -12.710 -11.114 1.00 88.30 92 A 1 ATOM 781 O OE2 . GLU A 1 92 ? -7.798 -14.711 -10.761 1.00 89.09 92 A 1 ATOM 782 N N . GLU A 1 93 ? -5.289 -16.572 -5.747 1.00 96.87 93 A 1 ATOM 783 C CA . GLU A 1 93 ? -5.607 -17.203 -4.457 1.00 96.63 93 A 1 ATOM 784 C C . GLU A 1 93 ? -4.775 -16.637 -3.291 1.00 96.37 93 A 1 ATOM 785 O O . GLU A 1 93 ? -5.228 -16.601 -2.146 1.00 96.10 93 A 1 ATOM 786 C CB . GLU A 1 93 ? -5.341 -18.712 -4.570 1.00 96.81 93 A 1 ATOM 787 C CG . GLU A 1 93 ? -6.379 -19.450 -5.437 1.00 87.56 93 A 1 ATOM 788 C CD . GLU A 1 93 ? -5.992 -20.921 -5.698 1.00 83.14 93 A 1 ATOM 789 O OE1 . GLU A 1 93 ? -6.752 -21.593 -6.428 1.00 76.75 93 A 1 ATOM 790 O OE2 . GLU A 1 93 ? -4.947 -21.372 -5.163 1.00 79.60 93 A 1 ATOM 791 N N . ASN A 1 94 ? -3.546 -16.180 -3.552 1.00 97.29 94 A 1 ATOM 792 C CA . ASN A 1 94 ? -2.599 -15.790 -2.504 1.00 96.93 94 A 1 ATOM 793 C C . ASN A 1 94 ? -2.358 -14.279 -2.386 1.00 96.89 94 A 1 ATOM 794 O O . ASN A 1 94 ? -1.931 -13.813 -1.320 1.00 96.55 94 A 1 ATOM 795 C CB . ASN A 1 94 ? -1.285 -16.564 -2.714 1.00 97.22 94 A 1 ATOM 796 C CG . ASN A 1 94 ? -1.419 -18.013 -2.291 1.00 97.12 94 A 1 ATOM 797 O OD1 . ASN A 1 94 ? -1.212 -18.335 -1.129 1.00 92.17 94 A 1 ATOM 798 N ND2 . ASN A 1 94 ? -1.778 -18.902 -3.185 1.00 93.28 94 A 1 ATOM 799 N N . ARG A 1 95 ? -2.603 -13.490 -3.442 1.00 97.71 95 A 1 ATOM 800 C CA . ARG A 1 95 ? -2.242 -12.060 -3.501 1.00 97.66 95 A 1 ATOM 801 C C . ARG A 1 95 ? -2.886 -11.229 -2.395 1.00 97.66 95 A 1 ATOM 802 O O . ARG A 1 95 ? -2.217 -10.348 -1.860 1.00 97.68 95 A 1 ATOM 803 C CB . ARG A 1 95 ? -2.533 -11.480 -4.894 1.00 97.35 95 A 1 ATOM 804 C CG . ARG A 1 95 ? -4.026 -11.391 -5.247 1.00 97.49 95 A 1 ATOM 805 C CD . ARG A 1 95 ? -4.243 -10.900 -6.687 1.00 96.66 95 A 1 ATOM 806 N NE . ARG A 1 95 ? -5.678 -10.878 -7.033 1.00 95.31 95 A 1 ATOM 807 C CZ . ARG A 1 95 ? -6.179 -10.871 -8.262 1.00 95.00 95 A 1 ATOM 808 N NH1 . ARG A 1 95 ? -5.444 -10.720 -9.321 1.00 92.42 95 A 1 ATOM 809 N NH2 . ARG A 1 95 ? -7.451 -11.048 -8.460 1.00 92.36 95 A 1 ATOM 810 N N . GLU A 1 96 ? -4.138 -11.505 -2.031 1.00 96.10 96 A 1 ATOM 811 C CA . GLU A 1 96 ? -4.820 -10.764 -0.963 1.00 95.99 96 A 1 ATOM 812 C C . GLU A 1 96 ? -4.087 -10.943 0.369 1.00 95.66 96 A 1 ATOM 813 O O . GLU A 1 96 ? -3.661 -9.958 0.968 1.00 95.80 96 A 1 ATOM 814 C CB . GLU A 1 96 ? -6.298 -11.187 -0.855 1.00 96.08 96 A 1 ATOM 815 C CG . GLU A 1 96 ? -7.002 -10.369 0.240 1.00 95.37 96 A 1 ATOM 816 C CD . GLU A 1 96 ? -8.519 -10.531 0.304 1.00 94.75 96 A 1 ATOM 817 O OE1 . GLU A 1 96 ? -9.068 -10.465 1.425 1.00 90.08 96 A 1 ATOM 818 O OE2 . GLU A 1 96 ? -9.208 -10.560 -0.738 1.00 90.97 96 A 1 ATOM 819 N N . ARG A 1 97 ? -3.849 -12.185 0.791 1.00 97.03 97 A 1 ATOM 820 C CA . ARG A 1 97 ? -3.137 -12.498 2.036 1.00 96.65 97 A 1 ATOM 821 C C . ARG A 1 97 ? -1.746 -11.863 2.074 1.00 96.91 97 A 1 ATOM 822 O O . ARG A 1 97 ? -1.352 -11.303 3.092 1.00 96.32 97 A 1 ATOM 823 C CB . ARG A 1 97 ? -3.064 -14.029 2.182 1.00 95.95 97 A 1 ATOM 824 C CG . ARG A 1 97 ? -2.393 -14.471 3.489 1.00 91.50 97 A 1 ATOM 825 C CD . ARG A 1 97 ? -2.295 -16.002 3.582 1.00 87.73 97 A 1 ATOM 826 N NE . ARG A 1 97 ? -1.467 -16.590 2.507 1.00 79.10 97 A 1 ATOM 827 C CZ . ARG A 1 97 ? -0.151 -16.671 2.458 1.00 71.38 97 A 1 ATOM 828 N NH1 . ARG A 1 97 ? 0.615 -16.214 3.416 1.00 64.52 97 A 1 ATOM 829 N NH2 . ARG A 1 97 ? 0.425 -17.225 1.431 1.00 63.46 97 A 1 ATOM 830 N N . ILE A 1 98 ? -1.009 -11.938 0.964 1.00 96.94 98 A 1 ATOM 831 C CA . ILE A 1 98 ? 0.345 -11.380 0.850 1.00 97.20 98 A 1 ATOM 832 C C . ILE A 1 98 ? 0.322 -9.853 0.988 1.00 97.35 98 A 1 ATOM 833 O O . ILE A 1 98 ? 1.053 -9.300 1.805 1.00 97.32 98 A 1 ATOM 834 C CB . ILE A 1 98 ? 0.998 -11.853 -0.472 1.00 97.49 98 A 1 ATOM 835 C CG1 . ILE A 1 98 ? 1.356 -13.355 -0.360 1.00 97.34 98 A 1 ATOM 836 C CG2 . ILE A 1 98 ? 2.250 -11.021 -0.817 1.00 97.33 98 A 1 ATOM 837 C CD1 . ILE A 1 98 ? 1.776 -14.006 -1.687 1.00 96.97 98 A 1 ATOM 838 N N . VAL A 1 99 ? -0.527 -9.162 0.221 1.00 97.67 99 A 1 ATOM 839 C CA . VAL A 1 99 ? -0.600 -7.693 0.251 1.00 97.85 99 A 1 ATOM 840 C C . VAL A 1 99 ? -1.134 -7.198 1.596 1.00 97.77 99 A 1 ATOM 841 O O . VAL A 1 99 ? -0.553 -6.283 2.171 1.00 97.82 99 A 1 ATOM 842 C CB . VAL A 1 99 ? -1.420 -7.148 -0.931 1.00 98.00 99 A 1 ATOM 843 C CG1 . VAL A 1 99 ? -1.565 -5.622 -0.873 1.00 97.65 99 A 1 ATOM 844 C CG2 . VAL A 1 99 ? -0.734 -7.480 -2.264 1.00 97.61 99 A 1 ATOM 845 N N . MET A 1 100 ? -2.165 -7.841 2.145 1.00 96.44 100 A 1 ATOM 846 C CA . MET A 1 100 ? -2.710 -7.519 3.470 1.00 95.83 100 A 1 ATOM 847 C C . MET A 1 100 ? -1.652 -7.633 4.572 1.00 95.61 100 A 1 ATOM 848 O O . MET A 1 100 ? -1.569 -6.758 5.431 1.00 95.61 100 A 1 ATOM 849 C CB . MET A 1 100 ? -3.881 -8.463 3.791 1.00 95.47 100 A 1 ATOM 850 C CG . MET A 1 100 ? -5.156 -8.097 3.028 1.00 93.19 100 A 1 ATOM 851 S SD . MET A 1 100 ? -5.912 -6.523 3.520 1.00 90.99 100 A 1 ATOM 852 C CE . MET A 1 100 ? -6.450 -6.925 5.204 1.00 85.14 100 A 1 ATOM 853 N N . ARG A 1 101 ? -0.799 -8.672 4.534 1.00 96.33 101 A 1 ATOM 854 C CA . ARG A 1 101 ? 0.315 -8.824 5.481 1.00 96.30 101 A 1 ATOM 855 C C . ARG A 1 101 ? 1.306 -7.667 5.364 1.00 96.80 101 A 1 ATOM 856 O O . ARG A 1 101 ? 1.643 -7.058 6.375 1.00 96.63 101 A 1 ATOM 857 C CB . ARG A 1 101 ? 0.983 -10.193 5.264 1.00 96.08 101 A 1 ATOM 858 C CG . ARG A 1 101 ? 2.205 -10.458 6.163 1.00 95.07 101 A 1 ATOM 859 C CD . ARG A 1 101 ? 1.868 -10.430 7.657 1.00 92.86 101 A 1 ATOM 860 N NE . ARG A 1 101 ? 3.053 -10.745 8.457 1.00 91.53 101 A 1 ATOM 861 C CZ . ARG A 1 101 ? 3.146 -10.728 9.773 1.00 90.60 101 A 1 ATOM 862 N NH1 . ARG A 1 101 ? 2.146 -10.420 10.553 1.00 85.31 101 A 1 ATOM 863 N NH2 . ARG A 1 101 ? 4.279 -11.030 10.323 1.00 87.84 101 A 1 ATOM 864 N N . GLY A 1 102 ? 1.733 -7.319 4.141 1.00 96.40 102 A 1 ATOM 865 C CA . GLY A 1 102 ? 2.646 -6.193 3.905 1.00 96.61 102 A 1 ATOM 866 C C . GLY A 1 102 ? 2.058 -4.847 4.349 1.00 96.93 102 A 1 ATOM 867 O O . GLY A 1 102 ? 2.749 -4.050 4.978 1.00 97.23 102 A 1 ATOM 868 N N . LEU A 1 103 ? 0.767 -4.597 4.081 1.00 97.39 103 A 1 ATOM 869 C CA . LEU A 1 103 ? 0.058 -3.404 4.559 1.00 97.34 103 A 1 ATOM 870 C C . LEU A 1 103 ? -0.002 -3.369 6.092 1.00 97.31 103 A 1 ATOM 871 O O . LEU A 1 103 ? 0.312 -2.341 6.686 1.00 97.53 103 A 1 ATOM 872 C CB . LEU A 1 103 ? -1.363 -3.364 3.972 1.00 97.71 103 A 1 ATOM 873 C CG . LEU A 1 103 ? -1.457 -3.054 2.468 1.00 97.12 103 A 1 ATOM 874 C CD1 . LEU A 1 103 ? -2.908 -3.230 2.015 1.00 96.87 103 A 1 ATOM 875 C CD2 . LEU A 1 103 ? -1.028 -1.624 2.148 1.00 96.78 103 A 1 ATOM 876 N N . CYS A 1 104 ? -0.351 -4.482 6.731 1.00 96.64 104 A 1 ATOM 877 C CA . CYS A 1 104 ? -0.394 -4.578 8.191 1.00 96.14 104 A 1 ATOM 878 C C . CYS A 1 104 ? 0.965 -4.217 8.803 1.00 96.15 104 A 1 ATOM 879 O O . CYS A 1 104 ? 1.040 -3.297 9.616 1.00 95.83 104 A 1 ATOM 880 C CB . CYS A 1 104 ? -0.861 -5.982 8.587 1.00 95.53 104 A 1 ATOM 881 S SG . CYS A 1 104 ? -1.027 -6.090 10.394 1.00 91.29 104 A 1 ATOM 882 N N . LEU A 1 105 ? 2.054 -4.861 8.343 1.00 96.43 105 A 1 ATOM 883 C CA . LEU A 1 105 ? 3.416 -4.585 8.811 1.00 96.54 105 A 1 ATOM 884 C C . LEU A 1 105 ? 3.821 -3.124 8.589 1.00 97.05 105 A 1 ATOM 885 O O . LEU A 1 105 ? 4.341 -2.491 9.506 1.00 97.38 105 A 1 ATOM 886 C CB . LEU A 1 105 ? 4.402 -5.517 8.095 1.00 96.89 105 A 1 ATOM 887 C CG . LEU A 1 105 ? 4.291 -7.001 8.483 1.00 96.41 105 A 1 ATOM 888 C CD1 . LEU A 1 105 ? 5.158 -7.821 7.527 1.00 95.20 105 A 1 ATOM 889 C CD2 . LEU A 1 105 ? 4.760 -7.254 9.913 1.00 95.25 105 A 1 ATOM 890 N N . LYS A 1 106 ? 3.531 -2.565 7.403 1.00 97.79 106 A 1 ATOM 891 C CA . LYS A 1 106 ? 3.776 -1.150 7.095 1.00 98.11 106 A 1 ATOM 892 C C . LYS A 1 106 ? 3.123 -0.235 8.129 1.00 98.24 106 A 1 ATOM 893 O O . LYS A 1 106 ? 3.797 0.636 8.662 1.00 98.30 106 A 1 ATOM 894 C CB . LYS A 1 106 ? 3.271 -0.844 5.678 1.00 98.19 106 A 1 ATOM 895 C CG . LYS A 1 106 ? 3.305 0.654 5.331 1.00 98.08 106 A 1 ATOM 896 C CD . LYS A 1 106 ? 2.657 0.904 3.964 1.00 97.55 106 A 1 ATOM 897 C CE . LYS A 1 106 ? 2.500 2.403 3.730 1.00 96.02 106 A 1 ATOM 898 N NZ . LYS A 1 106 ? 1.803 2.680 2.452 1.00 95.20 106 A 1 ATOM 899 N N . TYR A 1 107 ? 1.831 -0.405 8.404 1.00 97.92 107 A 1 ATOM 900 C CA . TYR A 1 107 ? 1.109 0.510 9.290 1.00 97.94 107 A 1 ATOM 901 C C . TYR A 1 107 ? 1.482 0.322 10.759 1.00 97.97 107 A 1 ATOM 902 O O . TYR A 1 107 ? 1.795 1.302 11.425 1.00 97.84 107 A 1 ATOM 903 C CB . TYR A 1 107 ? -0.402 0.396 9.064 1.00 98.05 107 A 1 ATOM 904 C CG . TYR A 1 107 ? -0.853 0.932 7.720 1.00 98.22 107 A 1 ATOM 905 C CD1 . TYR A 1 107 ? -0.647 2.285 7.403 1.00 97.78 107 A 1 ATOM 906 C CD2 . TYR A 1 107 ? -1.439 0.072 6.774 1.00 97.78 107 A 1 ATOM 907 C CE1 . TYR A 1 107 ? -0.983 2.769 6.129 1.00 97.61 107 A 1 ATOM 908 C CE2 . TYR A 1 107 ? -1.777 0.552 5.498 1.00 97.68 107 A 1 ATOM 909 C CZ . TYR A 1 107 ? -1.533 1.899 5.168 1.00 97.86 107 A 1 ATOM 910 O OH . TYR A 1 107 ? -1.805 2.351 3.924 1.00 97.42 107 A 1 ATOM 911 N N . VAL A 1 108 ? 1.540 -0.913 11.259 1.00 96.87 108 A 1 ATOM 912 C CA . VAL A 1 108 ? 1.828 -1.147 12.685 1.00 96.36 108 A 1 ATOM 913 C C . VAL A 1 108 ? 3.255 -0.757 13.088 1.00 96.87 108 A 1 ATOM 914 O O . VAL A 1 108 ? 3.490 -0.458 14.251 1.00 96.64 108 A 1 ATOM 915 C CB . VAL A 1 108 ? 1.518 -2.590 13.129 1.00 95.66 108 A 1 ATOM 916 C CG1 . VAL A 1 108 ? 0.051 -2.952 12.842 1.00 91.38 108 A 1 ATOM 917 C CG2 . VAL A 1 108 ? 2.452 -3.636 12.512 1.00 90.62 108 A 1 ATOM 918 N N . GLN A 1 109 ? 4.196 -0.727 12.139 1.00 96.75 109 A 1 ATOM 919 C CA . GLN A 1 109 ? 5.592 -0.337 12.392 1.00 97.17 109 A 1 ATOM 920 C C . GLN A 1 109 ? 5.896 1.127 12.038 1.00 97.68 109 A 1 ATOM 921 O O . GLN A 1 109 ? 7.009 1.589 12.274 1.00 97.89 109 A 1 ATOM 922 C CB . GLN A 1 109 ? 6.544 -1.299 11.672 1.00 97.40 109 A 1 ATOM 923 C CG . GLN A 1 109 ? 6.380 -2.756 12.136 1.00 97.32 109 A 1 ATOM 924 C CD . GLN A 1 109 ? 7.319 -3.714 11.415 1.00 97.73 109 A 1 ATOM 925 O OE1 . GLN A 1 109 ? 8.436 -3.394 11.034 1.00 95.28 109 A 1 ATOM 926 N NE2 . GLN A 1 109 ? 6.901 -4.940 11.193 1.00 94.82 109 A 1 ATOM 927 N N . ASN A 1 110 ? 4.924 1.874 11.497 1.00 98.04 110 A 1 ATOM 928 C CA . ASN A 1 110 ? 5.074 3.289 11.160 1.00 98.12 110 A 1 ATOM 929 C C . ASN A 1 110 ? 3.934 4.101 11.807 1.00 98.15 110 A 1 ATOM 930 O O . ASN A 1 110 ? 2.881 4.278 11.187 1.00 98.06 110 A 1 ATOM 931 C CB . ASN A 1 110 ? 5.139 3.464 9.631 1.00 98.21 110 A 1 ATOM 932 C CG . ASN A 1 110 ? 6.384 2.857 9.004 1.00 98.05 110 A 1 ATOM 933 O OD1 . ASN A 1 110 ? 7.403 3.506 8.842 1.00 95.40 110 A 1 ATOM 934 N ND2 . ASN A 1 110 ? 6.335 1.608 8.605 1.00 95.77 110 A 1 ATOM 935 N N . PRO A 1 111 ? 4.115 4.615 13.045 1.00 97.73 111 A 1 ATOM 936 C CA . PRO A 1 111 ? 3.046 5.258 13.818 1.00 97.50 111 A 1 ATOM 937 C C . PRO A 1 111 ? 2.327 6.410 13.102 1.00 97.62 111 A 1 ATOM 938 O O . PRO A 1 111 ? 1.105 6.505 13.183 1.00 97.58 111 A 1 ATOM 939 C CB . PRO A 1 111 ? 3.718 5.739 15.111 1.00 97.31 111 A 1 ATOM 940 C CG . PRO A 1 111 ? 4.850 4.732 15.308 1.00 96.27 111 A 1 ATOM 941 C CD . PRO A 1 111 ? 5.303 4.454 13.878 1.00 97.75 111 A 1 ATOM 942 N N . ASP A 1 112 ? 3.057 7.242 12.348 1.00 98.42 112 A 1 ATOM 943 C CA . ASP A 1 112 ? 2.460 8.354 11.591 1.00 98.39 112 A 1 ATOM 944 C C . ASP A 1 112 ? 1.503 7.844 10.500 1.00 98.45 112 A 1 ATOM 945 O O . ASP A 1 112 ? 0.394 8.352 10.338 1.00 98.15 112 A 1 ATOM 946 C CB . ASP A 1 112 ? 3.567 9.219 10.962 1.00 98.22 112 A 1 ATOM 947 C CG . ASP A 1 112 ? 4.488 9.887 11.990 1.00 96.52 112 A 1 ATOM 948 O OD1 . ASP A 1 112 ? 4.036 10.118 13.134 1.00 94.59 112 A 1 ATOM 949 O OD2 . ASP A 1 112 ? 5.657 10.141 11.624 1.00 94.25 112 A 1 ATOM 950 N N . LEU A 1 113 ? 1.883 6.769 9.793 1.00 98.59 113 A 1 ATOM 951 C CA . LEU A 1 113 ? 1.029 6.152 8.771 1.00 98.60 113 A 1 ATOM 952 C C . LEU A 1 113 ? -0.165 5.413 9.384 1.00 98.57 113 A 1 ATOM 953 O O . LEU A 1 113 ? -1.237 5.364 8.783 1.00 98.38 113 A 1 ATOM 954 C CB . LEU A 1 113 ? 1.848 5.177 7.912 1.00 98.59 113 A 1 ATOM 955 C CG . LEU A 1 113 ? 3.060 5.786 7.193 1.00 97.99 113 A 1 ATOM 956 C CD1 . LEU A 1 113 ? 3.651 4.720 6.274 1.00 97.24 113 A 1 ATOM 957 C CD2 . LEU A 1 113 ? 2.701 6.997 6.334 1.00 97.01 113 A 1 ATOM 958 N N . TYR A 1 114 ? 0.006 4.839 10.570 1.00 97.79 114 A 1 ATOM 959 C CA . TYR A 1 114 ? -1.102 4.270 11.335 1.00 97.46 114 A 1 ATOM 960 C C . TYR A 1 114 ? -2.112 5.355 11.737 1.00 97.28 114 A 1 ATOM 961 O O . TYR A 1 114 ? -3.320 5.150 11.607 1.00 96.97 114 A 1 ATOM 962 C CB . TYR A 1 114 ? -0.547 3.543 12.565 1.00 96.85 114 A 1 ATOM 963 C CG . TYR A 1 114 ? -1.603 2.788 13.344 1.00 96.61 114 A 1 ATOM 964 C CD1 . TYR A 1 114 ? -2.344 3.435 14.354 1.00 95.05 114 A 1 ATOM 965 C CD2 . TYR A 1 114 ? -1.848 1.433 13.053 1.00 95.14 114 A 1 ATOM 966 C CE1 . TYR A 1 114 ? -3.322 2.725 15.075 1.00 94.02 114 A 1 ATOM 967 C CE2 . TYR A 1 114 ? -2.818 0.719 13.776 1.00 94.13 114 A 1 ATOM 968 C CZ . TYR A 1 114 ? -3.556 1.365 14.788 1.00 94.07 114 A 1 ATOM 969 O OH . TYR A 1 114 ? -4.488 0.673 15.494 1.00 92.44 114 A 1 ATOM 970 N N . ALA A 1 115 ? -1.624 6.524 12.167 1.00 97.62 115 A 1 ATOM 971 C CA . ALA A 1 115 ? -2.470 7.673 12.480 1.00 97.51 115 A 1 ATOM 972 C C . ALA A 1 115 ? -3.230 8.180 11.239 1.00 97.28 115 A 1 ATOM 973 O O . ALA A 1 115 ? -4.437 8.406 11.325 1.00 97.08 115 A 1 ATOM 974 C CB . ALA A 1 115 ? -1.606 8.766 13.119 1.00 97.59 115 A 1 ATOM 975 N N . ASP A 1 116 ? -2.575 8.265 10.077 1.00 98.32 116 A 1 ATOM 976 C CA . ASP A 1 116 ? -3.227 8.611 8.806 1.00 98.20 116 A 1 ATOM 977 C C . ASP A 1 116 ? -4.317 7.592 8.425 1.00 98.20 116 A 1 ATOM 978 O O . ASP A 1 116 ? -5.424 7.969 8.037 1.00 97.81 116 A 1 ATOM 979 C CB . ASP A 1 116 ? -2.186 8.672 7.673 1.00 97.96 116 A 1 ATOM 980 C CG . ASP A 1 116 ? -1.357 9.959 7.619 1.00 96.94 116 A 1 ATOM 981 O OD1 . ASP A 1 116 ? -1.827 10.994 8.143 1.00 94.23 116 A 1 ATOM 982 O OD2 . ASP A 1 116 ? -0.315 9.920 6.923 1.00 94.01 116 A 1 ATOM 983 N N . LEU A 1 117 ? -4.039 6.291 8.561 1.00 97.80 117 A 1 ATOM 984 C CA . LEU A 1 117 ? -5.031 5.244 8.298 1.00 97.53 117 A 1 ATOM 985 C C . LEU A 1 117 ? -6.238 5.379 9.241 1.00 97.23 117 A 1 ATOM 986 O O . LEU A 1 117 ? -7.385 5.303 8.800 1.00 96.79 117 A 1 ATOM 987 C CB . LEU A 1 117 ? -4.356 3.863 8.424 1.00 97.40 117 A 1 ATOM 988 C CG . LEU A 1 117 ? -5.254 2.691 7.984 1.00 96.15 117 A 1 ATOM 989 C CD1 . LEU A 1 117 ? -5.501 2.700 6.474 1.00 95.43 117 A 1 ATOM 990 C CD2 . LEU A 1 117 ? -4.602 1.358 8.352 1.00 95.42 117 A 1 ATOM 991 N N . HIS A 1 118 ? -5.986 5.637 10.524 1.00 96.79 118 A 1 ATOM 992 C CA . HIS A 1 118 ? -7.023 5.857 11.530 1.00 96.23 118 A 1 ATOM 993 C C . HIS A 1 118 ? -7.852 7.124 11.256 1.00 96.12 118 A 1 ATOM 994 O O . HIS A 1 118 ? -9.073 7.097 11.401 1.00 95.74 118 A 1 ATOM 995 C CB . HIS A 1 118 ? -6.368 5.909 12.916 1.00 95.47 118 A 1 ATOM 996 C CG . HIS A 1 118 ? -7.362 6.108 14.033 1.00 92.88 118 A 1 ATOM 997 N ND1 . HIS A 1 118 ? -7.766 7.315 14.550 1.00 81.89 118 A 1 ATOM 998 C CD2 . HIS A 1 118 ? -8.055 5.126 14.686 1.00 80.96 118 A 1 ATOM 999 C CE1 . HIS A 1 118 ? -8.694 7.061 15.483 1.00 82.60 118 A 1 ATOM 1000 N NE2 . HIS A 1 118 ? -8.898 5.743 15.609 1.00 84.13 118 A 1 ATOM 1001 N N . LEU A 1 119 ? -7.210 8.218 10.819 1.00 96.81 119 A 1 ATOM 1002 C CA . LEU A 1 119 ? -7.878 9.478 10.475 1.00 96.72 119 A 1 ATOM 1003 C C . LEU A 1 119 ? -8.955 9.283 9.399 1.00 96.48 119 A 1 ATOM 1004 O O . LEU A 1 119 ? -10.026 9.885 9.465 1.00 95.95 119 A 1 ATOM 1005 C CB . LEU A 1 119 ? -6.802 10.482 10.017 1.00 96.83 119 A 1 ATOM 1006 C CG . LEU A 1 119 ? -7.337 11.857 9.581 1.00 95.14 119 A 1 ATOM 1007 C CD1 . LEU A 1 119 ? -8.071 12.583 10.714 1.00 93.15 119 A 1 ATOM 1008 C CD2 . LEU A 1 119 ? -6.175 12.740 9.124 1.00 93.45 119 A 1 ATOM 1009 N N . TYR A 1 120 ? -8.685 8.416 8.424 1.00 96.70 120 A 1 ATOM 1010 C CA . TYR A 1 120 ? -9.586 8.168 7.295 1.00 96.39 120 A 1 ATOM 1011 C C . TYR A 1 120 ? -10.391 6.863 7.404 1.00 96.01 120 A 1 ATOM 1012 O O . TYR A 1 120 ? -11.024 6.462 6.431 1.00 95.44 120 A 1 ATOM 1013 C CB . TYR A 1 120 ? -8.790 8.273 5.990 1.00 96.76 120 A 1 ATOM 1014 C CG . TYR A 1 120 ? -8.091 9.606 5.789 1.00 96.96 120 A 1 ATOM 1015 C CD1 . TYR A 1 120 ? -8.839 10.802 5.731 1.00 95.90 120 A 1 ATOM 1016 C CD2 . TYR A 1 120 ? -6.687 9.656 5.682 1.00 96.15 120 A 1 ATOM 1017 C CE1 . TYR A 1 120 ? -8.186 12.040 5.573 1.00 95.42 120 A 1 ATOM 1018 C CE2 . TYR A 1 120 ? -6.031 10.891 5.524 1.00 95.78 120 A 1 ATOM 1019 C CZ . TYR A 1 120 ? -6.778 12.086 5.472 1.00 95.86 120 A 1 ATOM 1020 O OH . TYR A 1 120 ? -6.143 13.280 5.337 1.00 95.03 120 A 1 ATOM 1021 N N . GLN A 1 121 ? -10.425 6.226 8.567 1.00 94.97 121 A 1 ATOM 1022 C CA . GLN A 1 121 ? -11.022 4.890 8.760 1.00 94.18 121 A 1 ATOM 1023 C C . GLN A 1 121 ? -12.493 4.760 8.330 1.00 94.01 121 A 1 ATOM 1024 O O . GLN A 1 121 ? -12.945 3.661 8.025 1.00 93.56 121 A 1 ATOM 1025 C CB . GLN A 1 121 ? -10.857 4.474 10.229 1.00 93.28 121 A 1 ATOM 1026 C CG . GLN A 1 121 ? -11.772 5.236 11.193 1.00 92.05 121 A 1 ATOM 1027 C CD . GLN A 1 121 ? -11.443 4.949 12.650 1.00 91.22 121 A 1 ATOM 1028 O OE1 . GLN A 1 121 ? -11.701 3.886 13.179 1.00 87.60 121 A 1 ATOM 1029 N NE2 . GLN A 1 121 ? -10.868 5.896 13.348 1.00 85.95 121 A 1 ATOM 1030 N N . TYR A 1 122 ? -13.246 5.858 8.283 1.00 93.31 122 A 1 ATOM 1031 C CA . TYR A 1 122 ? -14.666 5.860 7.891 1.00 92.56 122 A 1 ATOM 1032 C C . TYR A 1 122 ? -14.896 6.126 6.396 1.00 93.22 122 A 1 ATOM 1033 O O . TYR A 1 122 ? -16.042 6.174 5.951 1.00 92.26 122 A 1 ATOM 1034 C CB . TYR A 1 122 ? -15.430 6.862 8.765 1.00 90.68 122 A 1 ATOM 1035 C CG . TYR A 1 122 ? -15.308 6.579 10.250 1.00 85.44 122 A 1 ATOM 1036 C CD1 . TYR A 1 122 ? -15.900 5.420 10.791 1.00 81.01 122 A 1 ATOM 1037 C CD2 . TYR A 1 122 ? -14.587 7.454 11.087 1.00 80.50 122 A 1 ATOM 1038 C CE1 . TYR A 1 122 ? -15.772 5.134 12.164 1.00 75.24 122 A 1 ATOM 1039 C CE2 . TYR A 1 122 ? -14.459 7.171 12.462 1.00 74.82 122 A 1 ATOM 1040 C CZ . TYR A 1 122 ? -15.051 6.011 13.001 1.00 75.04 122 A 1 ATOM 1041 O OH . TYR A 1 122 ? -14.925 5.730 14.324 1.00 66.98 122 A 1 ATOM 1042 N N . LYS A 1 123 ? -13.823 6.312 5.614 1.00 93.99 123 A 1 ATOM 1043 C CA . LYS A 1 123 ? -13.891 6.589 4.175 1.00 94.60 123 A 1 ATOM 1044 C C . LYS A 1 123 ? -13.586 5.340 3.350 1.00 95.14 123 A 1 ATOM 1045 O O . LYS A 1 123 ? -12.884 4.434 3.789 1.00 94.97 123 A 1 ATOM 1046 C CB . LYS A 1 123 ? -12.955 7.754 3.809 1.00 95.39 123 A 1 ATOM 1047 C CG . LYS A 1 123 ? -13.322 9.052 4.550 1.00 95.01 123 A 1 ATOM 1048 C CD . LYS A 1 123 ? -12.467 10.223 4.050 1.00 94.08 123 A 1 ATOM 1049 C CE . LYS A 1 123 ? -12.771 11.521 4.810 1.00 92.43 123 A 1 ATOM 1050 N NZ . LYS A 1 123 ? -14.144 12.036 4.531 1.00 89.61 123 A 1 ATOM 1051 N N . THR A 1 124 ? -14.061 5.317 2.112 1.00 95.55 124 A 1 ATOM 1052 C CA . THR A 1 124 ? -13.718 4.274 1.141 1.00 96.12 124 A 1 ATOM 1053 C C . THR A 1 124 ? -12.381 4.602 0.478 1.00 96.96 124 A 1 ATOM 1054 O O . THR A 1 124 ? -12.226 5.651 -0.147 1.00 97.09 124 A 1 ATOM 1055 C CB . THR A 1 124 ? -14.825 4.101 0.097 1.00 95.87 124 A 1 ATOM 1056 O OG1 . THR A 1 124 ? -16.021 3.739 0.746 1.00 95.06 124 A 1 ATOM 1057 C CG2 . THR A 1 124 ? -14.517 2.996 -0.913 1.00 94.96 124 A 1 ATOM 1058 N N . PHE A 1 125 ? -11.411 3.697 0.585 1.00 97.83 125 A 1 ATOM 1059 C CA . PHE A 1 125 ? -10.103 3.834 -0.054 1.00 98.21 125 A 1 ATOM 1060 C C . PHE A 1 125 ? -10.168 3.431 -1.528 1.00 98.34 125 A 1 ATOM 1061 O O . PHE A 1 125 ? -10.773 2.419 -1.884 1.00 98.25 125 A 1 ATOM 1062 C CB . PHE A 1 125 ? -9.048 3.034 0.716 1.00 98.16 125 A 1 ATOM 1063 C CG . PHE A 1 125 ? -8.594 3.718 1.992 1.00 98.09 125 A 1 ATOM 1064 C CD1 . PHE A 1 125 ? -7.304 4.275 2.071 1.00 97.46 125 A 1 ATOM 1065 C CD2 . PHE A 1 125 ? -9.465 3.836 3.090 1.00 97.37 125 A 1 ATOM 1066 C CE1 . PHE A 1 125 ? -6.894 4.941 3.238 1.00 97.13 125 A 1 ATOM 1067 C CE2 . PHE A 1 125 ? -9.057 4.511 4.251 1.00 97.17 125 A 1 ATOM 1068 C CZ . PHE A 1 125 ? -7.772 5.061 4.327 1.00 97.46 125 A 1 ATOM 1069 N N . VAL A 1 126 ? -9.528 4.225 -2.396 1.00 98.37 126 A 1 ATOM 1070 C CA . VAL A 1 126 ? -9.580 4.032 -3.846 1.00 98.55 126 A 1 ATOM 1071 C C . VAL A 1 126 ? -8.204 4.291 -4.456 1.00 98.64 126 A 1 ATOM 1072 O O . VAL A 1 126 ? -7.730 5.430 -4.474 1.00 98.62 126 A 1 ATOM 1073 C CB . VAL A 1 126 ? -10.639 4.956 -4.487 1.00 98.47 126 A 1 ATOM 1074 C CG1 . VAL A 1 126 ? -10.790 4.653 -5.981 1.00 98.06 126 A 1 ATOM 1075 C CG2 . VAL A 1 126 ? -12.026 4.819 -3.840 1.00 97.93 126 A 1 ATOM 1076 N N . GLU A 1 127 ? -7.567 3.255 -5.007 1.00 98.82 127 A 1 ATOM 1077 C CA . GLU A 1 127 ? -6.379 3.444 -5.839 1.00 98.83 127 A 1 ATOM 1078 C C . GLU A 1 127 ? -6.801 3.992 -7.213 1.00 98.84 127 A 1 ATOM 1079 O O . GLU A 1 127 ? -7.232 3.261 -8.105 1.00 98.67 127 A 1 ATOM 1080 C CB . GLU A 1 127 ? -5.536 2.166 -5.948 1.00 98.66 127 A 1 ATOM 1081 C CG . GLU A 1 127 ? -4.223 2.492 -6.681 1.00 97.35 127 A 1 ATOM 1082 C CD . GLU A 1 127 ? -3.307 1.282 -6.901 1.00 95.48 127 A 1 ATOM 1083 O OE1 . GLU A 1 127 ? -2.079 1.459 -6.755 1.00 87.78 127 A 1 ATOM 1084 O OE2 . GLU A 1 127 ? -3.820 0.219 -7.298 1.00 88.55 127 A 1 ATOM 1085 N N . ALA A 1 128 ? -6.669 5.306 -7.388 1.00 98.81 128 A 1 ATOM 1086 C CA . ALA A 1 128 ? -7.040 6.011 -8.612 1.00 98.80 128 A 1 ATOM 1087 C C . ALA A 1 128 ? -5.916 5.969 -9.661 1.00 98.73 128 A 1 ATOM 1088 O O . ALA A 1 128 ? -5.452 7.001 -10.158 1.00 98.33 128 A 1 ATOM 1089 C CB . ALA A 1 128 ? -7.504 7.417 -8.235 1.00 98.68 128 A 1 ATOM 1090 N N . SER A 1 129 ? -5.449 4.762 -9.976 1.00 98.63 129 A 1 ATOM 1091 C CA . SER A 1 129 ? -4.458 4.512 -11.021 1.00 98.54 129 A 1 ATOM 1092 C C . SER A 1 129 ? -5.144 4.386 -12.381 1.00 98.57 129 A 1 ATOM 1093 O O . SER A 1 129 ? -5.922 3.448 -12.574 1.00 98.30 129 A 1 ATOM 1094 C CB . SER A 1 129 ? -3.681 3.235 -10.711 1.00 98.18 129 A 1 ATOM 1095 O OG . SER A 1 129 ? -2.742 2.972 -11.740 1.00 96.73 129 A 1 ATOM 1096 N N . PRO A 1 130 ? -4.837 5.259 -13.367 1.00 98.53 130 A 1 ATOM 1097 C CA . PRO A 1 130 ? -5.356 5.104 -14.728 1.00 98.27 130 A 1 ATOM 1098 C C . PRO A 1 130 ? -4.722 3.927 -15.490 1.00 98.22 130 A 1 ATOM 1099 O O . PRO A 1 130 ? -5.205 3.545 -16.551 1.00 97.42 130 A 1 ATOM 1100 C CB . PRO A 1 130 ? -5.074 6.451 -15.406 1.00 97.75 130 A 1 ATOM 1101 C CG . PRO A 1 130 ? -3.820 6.956 -14.694 1.00 96.58 130 A 1 ATOM 1102 C CD . PRO A 1 130 ? -3.977 6.435 -13.268 1.00 98.03 130 A 1 ATOM 1103 N N . TYR A 1 131 ? -3.653 3.346 -14.951 1.00 97.99 131 A 1 ATOM 1104 C CA . TYR A 1 131 ? -2.841 2.311 -15.607 1.00 97.48 131 A 1 ATOM 1105 C C . TYR A 1 131 ? -3.047 0.904 -15.034 1.00 97.52 131 A 1 ATOM 1106 O O . TYR A 1 131 ? -2.564 -0.069 -15.618 1.00 96.24 131 A 1 ATOM 1107 C CB . TYR A 1 131 ? -1.361 2.702 -15.494 1.00 96.74 131 A 1 ATOM 1108 C CG . TYR A 1 131 ? -1.052 4.133 -15.895 1.00 96.37 131 A 1 ATOM 1109 C CD1 . TYR A 1 131 ? -1.292 4.560 -17.215 1.00 93.90 131 A 1 ATOM 1110 C CD2 . TYR A 1 131 ? -0.546 5.042 -14.944 1.00 93.99 131 A 1 ATOM 1111 C CE1 . TYR A 1 131 ? -1.028 5.893 -17.586 1.00 92.48 131 A 1 ATOM 1112 C CE2 . TYR A 1 131 ? -0.277 6.376 -15.312 1.00 92.45 131 A 1 ATOM 1113 C CZ . TYR A 1 131 ? -0.521 6.801 -16.635 1.00 92.88 131 A 1 ATOM 1114 O OH . TYR A 1 131 ? -0.269 8.092 -16.991 1.00 90.84 131 A 1 ATOM 1115 N N . ASP A 1 132 ? -3.720 0.774 -13.895 1.00 97.65 132 A 1 ATOM 1116 C CA . ASP A 1 132 ? -3.926 -0.499 -13.215 1.00 97.99 132 A 1 ATOM 1117 C C . ASP A 1 132 ? -5.422 -0.748 -12.997 1.00 98.43 132 A 1 ATOM 1118 O O . ASP A 1 132 ? -6.127 0.050 -12.381 1.00 98.29 132 A 1 ATOM 1119 C CB . ASP A 1 132 ? -3.122 -0.544 -11.905 1.00 97.47 132 A 1 ATOM 1120 C CG . ASP A 1 132 ? -2.917 -1.990 -11.444 1.00 96.64 132 A 1 ATOM 1121 O OD1 . ASP A 1 132 ? -3.901 -2.765 -11.493 1.00 94.18 132 A 1 ATOM 1122 O OD2 . ASP A 1 132 ? -1.746 -2.350 -11.171 1.00 92.91 132 A 1 ATOM 1123 N N . LYS A 1 133 ? -5.912 -1.864 -13.546 1.00 98.48 133 A 1 ATOM 1124 C CA . LYS A 1 133 ? -7.319 -2.292 -13.434 1.00 98.61 133 A 1 ATOM 1125 C C . LYS A 1 133 ? -7.516 -3.449 -12.449 1.00 98.67 133 A 1 ATOM 1126 O O . LYS A 1 133 ? -8.635 -3.938 -12.291 1.00 98.26 133 A 1 ATOM 1127 C CB . LYS A 1 133 ? -7.871 -2.655 -14.822 1.00 98.44 133 A 1 ATOM 1128 C CG . LYS A 1 133 ? -7.909 -1.462 -15.786 1.00 97.78 133 A 1 ATOM 1129 C CD . LYS A 1 133 ? -8.576 -1.872 -17.101 1.00 96.12 133 A 1 ATOM 1130 C CE . LYS A 1 133 ? -8.622 -0.685 -18.061 1.00 91.59 133 A 1 ATOM 1131 N NZ . LYS A 1 133 ? -9.281 -1.051 -19.338 1.00 82.95 133 A 1 ATOM 1132 N N . VAL A 1 134 ? -6.441 -3.909 -11.814 1.00 98.47 134 A 1 ATOM 1133 C CA . VAL A 1 134 ? -6.487 -4.999 -10.837 1.00 98.38 134 A 1 ATOM 1134 C C . VAL A 1 134 ? -6.436 -4.402 -9.435 1.00 98.54 134 A 1 ATOM 1135 O O . VAL A 1 134 ? -7.413 -4.497 -8.692 1.00 98.27 134 A 1 ATOM 1136 C CB . VAL A 1 134 ? -5.366 -6.031 -11.091 1.00 98.01 134 A 1 ATOM 1137 C CG1 . VAL A 1 134 ? -5.388 -7.144 -10.036 1.00 97.18 134 A 1 ATOM 1138 C CG2 . VAL A 1 134 ? -5.520 -6.684 -12.474 1.00 97.24 134 A 1 ATOM 1139 N N . TYR A 1 135 ? -5.328 -3.742 -9.088 1.00 98.47 135 A 1 ATOM 1140 C CA . TYR A 1 135 ? -5.208 -3.073 -7.793 1.00 98.56 135 A 1 ATOM 1141 C C . TYR A 1 135 ? -5.927 -1.725 -7.783 1.00 98.65 135 A 1 ATOM 1142 O O . TYR A 1 135 ? -6.578 -1.391 -6.791 1.00 98.38 135 A 1 ATOM 1143 C CB . TYR A 1 135 ? -3.730 -2.959 -7.413 1.00 98.50 135 A 1 ATOM 1144 C CG . TYR A 1 135 ? -3.103 -4.311 -7.115 1.00 98.42 135 A 1 ATOM 1145 C CD1 . TYR A 1 135 ? -3.355 -4.931 -5.871 1.00 97.80 135 A 1 ATOM 1146 C CD2 . TYR A 1 135 ? -2.306 -4.963 -8.075 1.00 97.74 135 A 1 ATOM 1147 C CE1 . TYR A 1 135 ? -2.807 -6.199 -5.591 1.00 97.38 135 A 1 ATOM 1148 C CE2 . TYR A 1 135 ? -1.758 -6.233 -7.796 1.00 97.35 135 A 1 ATOM 1149 C CZ . TYR A 1 135 ? -2.008 -6.855 -6.552 1.00 97.63 135 A 1 ATOM 1150 O OH . TYR A 1 135 ? -1.479 -8.077 -6.280 1.00 96.81 135 A 1 ATOM 1151 N N . GLY A 1 136 ? -5.906 -0.997 -8.907 1.00 98.70 136 A 1 ATOM 1152 C CA . GLY A 1 136 ? -6.574 0.285 -9.095 1.00 98.75 136 A 1 ATOM 1153 C C . GLY A 1 136 ? -7.934 0.208 -9.786 1.00 98.80 136 A 1 ATOM 1154 O O . GLY A 1 136 ? -8.439 -0.856 -10.162 1.00 98.64 136 A 1 ATOM 1155 N N . ILE A 1 137 ? -8.531 1.405 -9.976 1.00 98.79 137 A 1 ATOM 1156 C CA . ILE A 1 137 ? -9.835 1.564 -10.645 1.00 98.80 137 A 1 ATOM 1157 C C . ILE A 1 137 ? -9.735 1.774 -12.166 1.00 98.78 137 A 1 ATOM 1158 O O . ILE A 1 137 ? -10.764 1.869 -12.834 1.00 98.63 137 A 1 ATOM 1159 C CB . ILE A 1 137 ? -10.684 2.670 -9.977 1.00 98.77 137 A 1 ATOM 1160 C CG1 . ILE A 1 137 ? -10.023 4.062 -10.060 1.00 98.59 137 A 1 ATOM 1161 C CG2 . ILE A 1 137 ? -11.003 2.275 -8.529 1.00 98.39 137 A 1 ATOM 1162 C CD1 . ILE A 1 137 ? -10.983 5.211 -9.716 1.00 98.25 137 A 1 ATOM 1163 N N . GLY A 1 138 ? -8.529 1.852 -12.732 1.00 98.67 138 A 1 ATOM 1164 C CA . GLY A 1 138 ? -8.324 2.136 -14.158 1.00 98.64 138 A 1 ATOM 1165 C C . GLY A 1 138 ? -8.754 3.552 -14.576 1.00 98.70 138 A 1 ATOM 1166 O O . GLY A 1 138 ? -9.118 3.760 -15.734 1.00 98.35 138 A 1 ATOM 1167 N N . MET A 1 139 ? -8.796 4.503 -13.619 1.00 98.59 139 A 1 ATOM 1168 C CA . MET A 1 139 ? -9.226 5.895 -13.789 1.00 98.55 139 A 1 ATOM 1169 C C . MET A 1 139 ? -8.389 6.820 -12.907 1.00 98.63 139 A 1 ATOM 1170 O O . MET A 1 139 ? -7.977 6.444 -11.807 1.00 98.23 139 A 1 ATOM 1171 C CB . MET A 1 139 ? -10.711 6.047 -13.412 1.00 97.83 139 A 1 ATOM 1172 C CG . MET A 1 139 ? -11.649 5.267 -14.342 1.00 96.10 139 A 1 ATOM 1173 S SD . MET A 1 139 ? -13.409 5.336 -13.925 1.00 96.63 139 A 1 ATOM 1174 C CE . MET A 1 139 ? -13.760 7.094 -14.207 1.00 92.32 139 A 1 ATOM 1175 N N . GLY A 1 140 ? -8.155 8.056 -13.358 1.00 98.49 140 A 1 ATOM 1176 C CA . GLY A 1 140 ? -7.509 9.093 -12.556 1.00 98.41 140 A 1 ATOM 1177 C C . GLY A 1 140 ? -8.455 9.691 -11.514 1.00 98.53 140 A 1 ATOM 1178 O O . GLY A 1 140 ? -9.666 9.777 -11.716 1.00 98.21 140 A 1 ATOM 1179 N N . MET A 1 141 ? -7.897 10.187 -10.394 1.00 98.39 141 A 1 ATOM 1180 C CA . MET A 1 141 ? -8.684 10.726 -9.263 1.00 98.26 141 A 1 ATOM 1181 C C . MET A 1 141 ? -9.509 11.992 -9.571 1.00 98.35 141 A 1 ATOM 1182 O O . MET A 1 141 ? -10.310 12.415 -8.739 1.00 97.77 141 A 1 ATOM 1183 C CB . MET A 1 141 ? -7.751 10.967 -8.064 1.00 97.06 141 A 1 ATOM 1184 C CG . MET A 1 141 ? -6.726 12.090 -8.297 1.00 95.04 141 A 1 ATOM 1185 S SD . MET A 1 141 ? -5.575 12.354 -6.916 1.00 95.73 141 A 1 ATOM 1186 C CE . MET A 1 141 ? -4.559 10.856 -7.020 1.00 91.34 141 A 1 ATOM 1187 N N . TYR A 1 142 ? -9.321 12.603 -10.746 1.00 98.39 142 A 1 ATOM 1188 C CA . TYR A 1 142 ? -10.077 13.762 -11.234 1.00 98.20 142 A 1 ATOM 1189 C C . TYR A 1 142 ? -10.895 13.457 -12.497 1.00 98.22 142 A 1 ATOM 1190 O O . TYR A 1 142 ? -11.508 14.364 -13.054 1.00 97.39 142 A 1 ATOM 1191 C CB . TYR A 1 142 ? -9.124 14.948 -11.444 1.00 97.84 142 A 1 ATOM 1192 C CG . TYR A 1 142 ? -8.395 15.391 -10.187 1.00 97.54 142 A 1 ATOM 1193 C CD1 . TYR A 1 142 ? -9.081 16.125 -9.197 1.00 95.61 142 A 1 ATOM 1194 C CD2 . TYR A 1 142 ? -7.037 15.061 -10.000 1.00 95.81 142 A 1 ATOM 1195 C CE1 . TYR A 1 142 ? -8.409 16.535 -8.027 1.00 94.72 142 A 1 ATOM 1196 C CE2 . TYR A 1 142 ? -6.364 15.467 -8.830 1.00 94.82 142 A 1 ATOM 1197 C CZ . TYR A 1 142 ? -7.050 16.206 -7.843 1.00 95.09 142 A 1 ATOM 1198 O OH . TYR A 1 142 ? -6.405 16.599 -6.709 1.00 93.09 142 A 1 ATOM 1199 N N . GLU A 1 143 ? -10.903 12.206 -12.973 1.00 98.16 143 A 1 ATOM 1200 C CA . GLU A 1 143 ? -11.709 11.832 -14.140 1.00 98.12 143 A 1 ATOM 1201 C C . GLU A 1 143 ? -13.217 11.965 -13.848 1.00 98.27 143 A 1 ATOM 1202 O O . GLU A 1 143 ? -13.675 11.633 -12.748 1.00 97.94 143 A 1 ATOM 1203 C CB . GLU A 1 143 ? -11.379 10.414 -14.636 1.00 97.53 143 A 1 ATOM 1204 C CG . GLU A 1 143 ? -10.093 10.372 -15.482 1.00 92.82 143 A 1 ATOM 1205 C CD . GLU A 1 143 ? -9.782 8.968 -16.038 1.00 93.69 143 A 1 ATOM 1206 O OE1 . GLU A 1 143 ? -8.595 8.568 -15.980 1.00 86.69 143 A 1 ATOM 1207 O OE2 . GLU A 1 143 ? -10.705 8.278 -16.532 1.00 88.87 143 A 1 ATOM 1208 N N . PRO A 1 144 ? -14.028 12.422 -14.831 1.00 98.17 144 A 1 ATOM 1209 C CA . PRO A 1 144 ? -15.479 12.410 -14.712 1.00 97.98 144 A 1 ATOM 1210 C C . PRO A 1 144 ? -16.001 11.010 -14.358 1.00 97.86 144 A 1 ATOM 1211 O O . PRO A 1 144 ? -15.562 10.006 -14.917 1.00 96.67 144 A 1 ATOM 1212 C CB . PRO A 1 144 ? -16.018 12.891 -16.065 1.00 97.46 144 A 1 ATOM 1213 C CG . PRO A 1 144 ? -14.872 13.735 -16.622 1.00 95.95 144 A 1 ATOM 1214 C CD . PRO A 1 144 ? -13.632 13.000 -16.109 1.00 97.79 144 A 1 ATOM 1215 N N . GLY A 1 145 ? -16.933 10.937 -13.430 1.00 97.26 145 A 1 ATOM 1216 C CA . GLY A 1 145 ? -17.519 9.669 -12.981 1.00 96.91 145 A 1 ATOM 1217 C C . GLY A 1 145 ? -16.737 8.942 -11.877 1.00 97.69 145 A 1 ATOM 1218 O O . GLY A 1 145 ? -17.262 7.986 -11.315 1.00 96.81 145 A 1 ATOM 1219 N N . VAL A 1 146 ? -15.532 9.401 -11.480 1.00 98.27 146 A 1 ATOM 1220 C CA . VAL A 1 146 ? -14.704 8.711 -10.465 1.00 98.40 146 A 1 ATOM 1221 C C . VAL A 1 146 ? -15.390 8.554 -9.096 1.00 98.49 146 A 1 ATOM 1222 O O . VAL A 1 146 ? -15.076 7.632 -8.353 1.00 98.24 146 A 1 ATOM 1223 C CB . VAL A 1 146 ? -13.344 9.423 -10.322 1.00 98.03 146 A 1 ATOM 1224 C CG1 . VAL A 1 146 ? -13.425 10.734 -9.529 1.00 95.78 146 A 1 ATOM 1225 C CG2 . VAL A 1 146 ? -12.304 8.507 -9.674 1.00 95.20 146 A 1 ATOM 1226 N N . LEU A 1 147 ? -16.353 9.423 -8.776 1.00 97.94 147 A 1 ATOM 1227 C CA . LEU A 1 147 ? -17.154 9.342 -7.546 1.00 97.71 147 A 1 ATOM 1228 C C . LEU A 1 147 ? -18.257 8.271 -7.607 1.00 97.68 147 A 1 ATOM 1229 O O . LEU A 1 147 ? -18.883 7.996 -6.592 1.00 97.16 147 A 1 ATOM 1230 C CB . LEU A 1 147 ? -17.763 10.722 -7.234 1.00 97.43 147 A 1 ATOM 1231 C CG . LEU A 1 147 ? -16.746 11.854 -6.997 1.00 96.46 147 A 1 ATOM 1232 C CD1 . LEU A 1 147 ? -17.492 13.166 -6.729 1.00 94.69 147 A 1 ATOM 1233 C CD2 . LEU A 1 147 ? -15.834 11.577 -5.808 1.00 94.50 147 A 1 ATOM 1234 N N . ASN A 1 148 ? -18.509 7.675 -8.779 1.00 97.61 148 A 1 ATOM 1235 C CA . ASN A 1 148 ? -19.499 6.613 -8.937 1.00 97.52 148 A 1 ATOM 1236 C C . ASN A 1 148 ? -18.798 5.259 -9.159 1.00 97.73 148 A 1 ATOM 1237 O O . ASN A 1 148 ? -18.307 5.020 -10.268 1.00 97.66 148 A 1 ATOM 1238 C CB . ASN A 1 148 ? -20.457 6.986 -10.081 1.00 97.15 148 A 1 ATOM 1239 C CG . ASN A 1 148 ? -21.506 5.917 -10.335 1.00 96.54 148 A 1 ATOM 1240 O OD1 . ASN A 1 148 ? -21.596 4.904 -9.660 1.00 94.17 148 A 1 ATOM 1241 N ND2 . ASN A 1 148 ? -22.341 6.103 -11.330 1.00 93.28 148 A 1 ATOM 1242 N N . PRO A 1 149 ? -18.795 4.334 -8.180 1.00 97.28 149 A 1 ATOM 1243 C CA . PRO A 1 149 ? -18.152 3.023 -8.322 1.00 96.92 149 A 1 ATOM 1244 C C . PRO A 1 149 ? -18.632 2.204 -9.525 1.00 97.14 149 A 1 ATOM 1245 O O . PRO A 1 149 ? -17.866 1.410 -10.065 1.00 96.98 149 A 1 ATOM 1246 C CB . PRO A 1 149 ? -18.445 2.285 -7.011 1.00 96.41 149 A 1 ATOM 1247 C CG . PRO A 1 149 ? -18.618 3.411 -6.002 1.00 95.45 149 A 1 ATOM 1248 C CD . PRO A 1 149 ? -19.305 4.495 -6.828 1.00 96.96 149 A 1 ATOM 1249 N N . ALA A 1 150 ? -19.872 2.411 -9.996 1.00 97.36 150 A 1 ATOM 1250 C CA . ALA A 1 150 ? -20.406 1.718 -11.176 1.00 97.27 150 A 1 ATOM 1251 C C . ALA A 1 150 ? -19.699 2.112 -12.490 1.00 97.32 150 A 1 ATOM 1252 O O . ALA A 1 150 ? -19.813 1.403 -13.488 1.00 96.64 150 A 1 ATOM 1253 C CB . ALA A 1 150 ? -21.912 1.990 -11.257 1.00 97.13 150 A 1 ATOM 1254 N N . THR A 1 151 ? -18.948 3.225 -12.501 1.00 98.29 151 A 1 ATOM 1255 C CA . THR A 1 151 ? -18.184 3.685 -13.675 1.00 98.20 151 A 1 ATOM 1256 C C . THR A 1 151 ? -16.718 3.244 -13.662 1.00 98.34 151 A 1 ATOM 1257 O O . THR A 1 151 ? -16.007 3.450 -14.652 1.00 97.86 151 A 1 ATOM 1258 C CB . THR A 1 151 ? -18.258 5.208 -13.829 1.00 97.75 151 A 1 ATOM 1259 O OG1 . THR A 1 151 ? -17.621 5.852 -12.755 1.00 94.97 151 A 1 ATOM 1260 C CG2 . THR A 1 151 ? -19.691 5.724 -13.918 1.00 92.89 151 A 1 ATOM 1261 N N . TRP A 1 152 ? -16.251 2.648 -12.560 1.00 98.08 152 A 1 ATOM 1262 C CA . TRP A 1 152 ? -14.865 2.224 -12.429 1.00 98.20 152 A 1 ATOM 1263 C C . TRP A 1 152 ? -14.537 1.114 -13.427 1.00 98.17 152 A 1 ATOM 1264 O O . TRP A 1 152 ? -15.292 0.159 -13.622 1.00 97.81 152 A 1 ATOM 1265 C CB . TRP A 1 152 ? -14.556 1.794 -10.989 1.00 98.18 152 A 1 ATOM 1266 C CG . TRP A 1 152 ? -14.663 2.857 -9.931 1.00 98.30 152 A 1 ATOM 1267 C CD1 . TRP A 1 152 ? -14.878 4.181 -10.122 1.00 97.88 152 A 1 ATOM 1268 C CD2 . TRP A 1 152 ? -14.559 2.688 -8.485 1.00 98.23 152 A 1 ATOM 1269 N NE1 . TRP A 1 152 ? -14.929 4.832 -8.906 1.00 97.74 152 A 1 ATOM 1270 C CE2 . TRP A 1 152 ? -14.745 3.957 -7.859 1.00 98.04 152 A 1 ATOM 1271 C CE3 . TRP A 1 152 ? -14.341 1.580 -7.632 1.00 98.12 152 A 1 ATOM 1272 C CZ2 . TRP A 1 152 ? -14.736 4.120 -6.466 1.00 97.78 152 A 1 ATOM 1273 C CZ3 . TRP A 1 152 ? -14.325 1.737 -6.234 1.00 97.58 152 A 1 ATOM 1274 C CH2 . TRP A 1 152 ? -14.528 3.000 -5.651 1.00 97.43 152 A 1 ATOM 1275 N N . LYS A 1 153 ? -13.363 1.240 -14.053 1.00 98.45 153 A 1 ATOM 1276 C CA . LYS A 1 153 ? -12.889 0.320 -15.096 1.00 98.24 153 A 1 ATOM 1277 C C . LYS A 1 153 ? -12.057 -0.836 -14.529 1.00 98.42 153 A 1 ATOM 1278 O O . LYS A 1 153 ? -11.674 -1.739 -15.278 1.00 97.76 153 A 1 ATOM 1279 C CB . LYS A 1 153 ? -12.090 1.121 -16.141 1.00 97.77 153 A 1 ATOM 1280 C CG . LYS A 1 153 ? -12.899 2.248 -16.810 1.00 96.71 153 A 1 ATOM 1281 C CD . LYS A 1 153 ? -11.982 3.160 -17.648 1.00 93.63 153 A 1 ATOM 1282 C CE . LYS A 1 153 ? -12.754 4.386 -18.154 1.00 90.88 153 A 1 ATOM 1283 N NZ . LYS A 1 153 ? -11.843 5.510 -18.508 1.00 82.46 153 A 1 ATOM 1284 N N . GLY A 1 154 ? -11.747 -0.803 -13.238 1.00 98.40 154 A 1 ATOM 1285 C CA . GLY A 1 154 ? -10.908 -1.764 -12.525 1.00 98.51 154 A 1 ATOM 1286 C C . GLY A 1 154 ? -11.504 -2.220 -11.197 1.00 98.61 154 A 1 ATOM 1287 O O . GLY A 1 154 ? -12.548 -1.735 -10.750 1.00 98.40 154 A 1 ATOM 1288 N N . GLN A 1 155 ? -10.831 -3.188 -10.572 1.00 98.62 155 A 1 ATOM 1289 C CA . GLN A 1 155 ? -11.351 -3.928 -9.416 1.00 98.55 155 A 1 ATOM 1290 C C . GLN A 1 155 ? -11.157 -3.214 -8.073 1.00 98.61 155 A 1 ATOM 1291 O O . GLN A 1 155 ? -11.814 -3.592 -7.097 1.00 98.23 155 A 1 ATOM 1292 C CB . GLN A 1 155 ? -10.689 -5.312 -9.369 1.00 98.28 155 A 1 ATOM 1293 C CG . GLN A 1 155 ? -10.929 -6.167 -10.626 1.00 97.41 155 A 1 ATOM 1294 C CD . GLN A 1 155 ? -10.272 -7.540 -10.489 1.00 96.40 155 A 1 ATOM 1295 O OE1 . GLN A 1 155 ? -10.349 -8.190 -9.455 1.00 91.01 155 A 1 ATOM 1296 N NE2 . GLN A 1 155 ? -9.603 -8.031 -11.509 1.00 89.33 155 A 1 ATOM 1297 N N . ASN A 1 156 ? -10.258 -2.226 -8.012 1.00 98.16 156 A 1 ATOM 1298 C CA . ASN A 1 156 ? -9.865 -1.518 -6.790 1.00 98.35 156 A 1 ATOM 1299 C C . ASN A 1 156 ? -9.365 -2.442 -5.657 1.00 98.45 156 A 1 ATOM 1300 O O . ASN A 1 156 ? -9.721 -2.246 -4.495 1.00 98.27 156 A 1 ATOM 1301 C CB . ASN A 1 156 ? -10.997 -0.578 -6.340 1.00 98.32 156 A 1 ATOM 1302 C CG . ASN A 1 156 ? -10.531 0.391 -5.269 1.00 98.33 156 A 1 ATOM 1303 O OD1 . ASN A 1 156 ? -9.402 0.867 -5.292 1.00 97.28 156 A 1 ATOM 1304 N ND2 . ASN A 1 156 ? -11.373 0.738 -4.327 1.00 97.19 156 A 1 ATOM 1305 N N . LEU A 1 157 ? -8.574 -3.475 -5.969 1.00 98.48 157 A 1 ATOM 1306 C CA . LEU A 1 157 ? -8.160 -4.442 -4.944 1.00 98.52 157 A 1 ATOM 1307 C C . LEU A 1 157 ? -7.383 -3.776 -3.804 1.00 98.57 157 A 1 ATOM 1308 O O . LEU A 1 157 ? -7.668 -4.062 -2.643 1.00 98.47 157 A 1 ATOM 1309 C CB . LEU A 1 157 ? -7.330 -5.586 -5.549 1.00 98.52 157 A 1 ATOM 1310 C CG . LEU A 1 157 ? -8.079 -6.537 -6.498 1.00 97.90 157 A 1 ATOM 1311 C CD1 . LEU A 1 157 ? -7.152 -7.698 -6.860 1.00 97.29 157 A 1 ATOM 1312 C CD2 . LEU A 1 157 ? -9.353 -7.126 -5.889 1.00 97.22 157 A 1 ATOM 1313 N N . LEU A 1 158 ? -6.454 -2.849 -4.097 1.00 98.70 158 A 1 ATOM 1314 C CA . LEU A 1 158 ? -5.667 -2.198 -3.046 1.00 98.72 158 A 1 ATOM 1315 C C . LEU A 1 158 ? -6.542 -1.348 -2.114 1.00 98.71 158 A 1 ATOM 1316 O O . LEU A 1 158 ? -6.382 -1.420 -0.897 1.00 98.58 158 A 1 ATOM 1317 C CB . LEU A 1 158 ? -4.526 -1.385 -3.677 1.00 98.69 158 A 1 ATOM 1318 C CG . LEU A 1 158 ? -3.560 -0.783 -2.636 1.00 98.28 158 A 1 ATOM 1319 C CD1 . LEU A 1 158 ? -2.927 -1.841 -1.727 1.00 97.83 158 A 1 ATOM 1320 C CD2 . LEU A 1 158 ? -2.418 -0.047 -3.331 1.00 97.85 158 A 1 ATOM 1321 N N . GLY A 1 159 ? -7.509 -0.604 -2.663 1.00 98.20 159 A 1 ATOM 1322 C CA . GLY A 1 159 ? -8.481 0.133 -1.847 1.00 98.00 159 A 1 ATOM 1323 C C . GLY A 1 159 ? -9.319 -0.791 -0.957 1.00 97.73 159 A 1 ATOM 1324 O O . GLY A 1 159 ? -9.433 -0.555 0.245 1.00 97.63 159 A 1 ATOM 1325 N N . LYS A 1 160 ? -9.825 -1.905 -1.517 1.00 96.82 160 A 1 ATOM 1326 C CA . LYS A 1 160 ? -10.561 -2.928 -0.749 1.00 96.23 160 A 1 ATOM 1327 C C . LYS A 1 160 ? -9.711 -3.527 0.372 1.00 95.83 160 A 1 ATOM 1328 O O . LYS A 1 160 ? -10.220 -3.730 1.472 1.00 95.87 160 A 1 ATOM 1329 C CB . LYS A 1 160 ? -11.052 -4.043 -1.684 1.00 96.72 160 A 1 ATOM 1330 C CG . LYS A 1 160 ? -12.195 -3.580 -2.597 1.00 96.79 160 A 1 ATOM 1331 C CD . LYS A 1 160 ? -12.531 -4.670 -3.621 1.00 95.31 160 A 1 ATOM 1332 C CE . LYS A 1 160 ? -13.679 -4.206 -4.515 1.00 93.78 160 A 1 ATOM 1333 N NZ . LYS A 1 160 ? -13.886 -5.124 -5.663 1.00 89.11 160 A 1 ATOM 1334 N N . TYR A 1 161 ? -8.415 -3.776 0.126 1.00 97.31 161 A 1 ATOM 1335 C CA . TYR A 1 161 ? -7.505 -4.297 1.146 1.00 97.12 161 A 1 ATOM 1336 C C . TYR A 1 161 ? -7.282 -3.293 2.284 1.00 96.75 161 A 1 ATOM 1337 O O . TYR A 1 161 ? -7.285 -3.695 3.444 1.00 96.95 161 A 1 ATOM 1338 C CB . TYR A 1 161 ? -6.177 -4.721 0.511 1.00 97.59 161 A 1 ATOM 1339 C CG . TYR A 1 161 ? -6.231 -5.815 -0.546 1.00 97.82 161 A 1 ATOM 1340 C CD1 . TYR A 1 161 ? -7.360 -6.647 -0.707 1.00 96.85 161 A 1 ATOM 1341 C CD2 . TYR A 1 161 ? -5.113 -6.003 -1.385 1.00 96.99 161 A 1 ATOM 1342 C CE1 . TYR A 1 161 ? -7.380 -7.641 -1.702 1.00 96.57 161 A 1 ATOM 1343 C CE2 . TYR A 1 161 ? -5.126 -7.001 -2.375 1.00 96.64 161 A 1 ATOM 1344 C CZ . TYR A 1 161 ? -6.261 -7.820 -2.539 1.00 97.00 161 A 1 ATOM 1345 O OH . TYR A 1 161 ? -6.273 -8.779 -3.502 1.00 96.30 161 A 1 ATOM 1346 N N . HIS A 1 162 ? -7.188 -1.991 1.999 1.00 98.10 162 A 1 ATOM 1347 C CA . HIS A 1 162 ? -7.153 -0.964 3.048 1.00 98.04 162 A 1 ATOM 1348 C C . HIS A 1 162 ? -8.432 -0.962 3.890 1.00 97.58 162 A 1 ATOM 1349 O O . HIS A 1 162 ? -8.341 -0.971 5.115 1.00 97.30 162 A 1 ATOM 1350 C CB . HIS A 1 162 ? -6.919 0.423 2.448 1.00 98.22 162 A 1 ATOM 1351 C CG . HIS A 1 162 ? -5.497 0.649 2.024 1.00 98.33 162 A 1 ATOM 1352 N ND1 . HIS A 1 162 ? -4.933 0.259 0.829 1.00 92.95 162 A 1 ATOM 1353 C CD2 . HIS A 1 162 ? -4.530 1.294 2.741 1.00 93.25 162 A 1 ATOM 1354 C CE1 . HIS A 1 162 ? -3.650 0.654 0.832 1.00 95.52 162 A 1 ATOM 1355 N NE2 . HIS A 1 162 ? -3.367 1.292 1.971 1.00 96.43 162 A 1 ATOM 1356 N N . ASN A 1 163 ? -9.611 -1.014 3.261 1.00 96.87 163 A 1 ATOM 1357 C CA . ASN A 1 163 ? -10.880 -1.046 3.998 1.00 95.93 163 A 1 ATOM 1358 C C . ASN A 1 163 ? -11.008 -2.308 4.875 1.00 95.40 163 A 1 ATOM 1359 O O . ASN A 1 163 ? -11.341 -2.188 6.054 1.00 94.58 163 A 1 ATOM 1360 C CB . ASN A 1 163 ? -12.055 -0.870 3.018 1.00 95.62 163 A 1 ATOM 1361 C CG . ASN A 1 163 ? -12.120 0.546 2.457 1.00 93.88 163 A 1 ATOM 1362 O OD1 . ASN A 1 163 ? -11.987 0.794 1.273 1.00 86.97 163 A 1 ATOM 1363 N ND2 . ASN A 1 163 ? -12.313 1.534 3.299 1.00 86.25 163 A 1 ATOM 1364 N N . LYS A 1 164 ? -10.626 -3.493 4.363 1.00 94.62 164 A 1 ATOM 1365 C CA . LYS A 1 164 ? -10.564 -4.726 5.171 1.00 93.79 164 A 1 ATOM 1366 C C . LYS A 1 164 ? -9.571 -4.611 6.333 1.00 93.75 164 A 1 ATOM 1367 O O . LYS A 1 164 ? -9.845 -5.072 7.436 1.00 93.33 164 A 1 ATOM 1368 C CB . LYS A 1 164 ? -10.161 -5.923 4.292 1.00 93.98 164 A 1 ATOM 1369 C CG . LYS A 1 164 ? -11.274 -6.401 3.352 1.00 89.87 164 A 1 ATOM 1370 C CD . LYS A 1 164 ? -10.772 -7.606 2.539 1.00 87.84 164 A 1 ATOM 1371 C CE . LYS A 1 164 ? -11.860 -8.162 1.618 1.00 83.32 164 A 1 ATOM 1372 N NZ . LYS A 1 164 ? -11.414 -9.408 0.947 1.00 76.94 164 A 1 ATOM 1373 N N . LEU A 1 165 ? -8.398 -4.000 6.099 1.00 95.35 165 A 1 ATOM 1374 C CA . LEU A 1 165 ? -7.397 -3.819 7.148 1.00 95.08 165 A 1 ATOM 1375 C C . LEU A 1 165 ? -7.891 -2.879 8.253 1.00 94.67 165 A 1 ATOM 1376 O O . LEU A 1 165 ? -7.642 -3.144 9.426 1.00 94.44 165 A 1 ATOM 1377 C CB . LEU A 1 165 ? -6.091 -3.323 6.516 1.00 95.45 165 A 1 ATOM 1378 C CG . LEU A 1 165 ? -4.942 -3.181 7.530 1.00 94.00 165 A 1 ATOM 1379 C CD1 . LEU A 1 165 ? -4.539 -4.519 8.151 1.00 91.73 165 A 1 ATOM 1380 C CD2 . LEU A 1 165 ? -3.719 -2.592 6.831 1.00 92.09 165 A 1 ATOM 1381 N N . ILE A 1 166 ? -8.605 -1.817 7.897 1.00 95.64 166 A 1 ATOM 1382 C CA . ILE A 1 166 ? -9.250 -0.900 8.846 1.00 94.91 166 A 1 ATOM 1383 C C . ILE A 1 166 ? -10.247 -1.649 9.733 1.00 94.00 166 A 1 ATOM 1384 O O . ILE A 1 166 ? -10.214 -1.487 10.951 1.00 93.17 166 A 1 ATOM 1385 C CB . ILE A 1 166 ? -9.913 0.255 8.065 1.00 95.00 166 A 1 ATOM 1386 C CG1 . ILE A 1 166 ? -8.818 1.235 7.592 1.00 94.13 166 A 1 ATOM 1387 C CG2 . ILE A 1 166 ? -10.974 0.999 8.895 1.00 94.09 166 A 1 ATOM 1388 C CD1 . ILE A 1 166 ? -9.288 2.174 6.486 1.00 92.50 166 A 1 ATOM 1389 N N . GLU A 1 167 ? -11.089 -2.504 9.138 1.00 93.59 167 A 1 ATOM 1390 C CA . GLU A 1 167 ? -12.019 -3.350 9.893 1.00 92.09 167 A 1 ATOM 1391 C C . GLU A 1 167 ? -11.276 -4.242 10.896 1.00 91.69 167 A 1 ATOM 1392 O O . GLU A 1 167 ? -11.711 -4.368 12.033 1.00 90.17 167 A 1 ATOM 1393 C CB . GLU A 1 167 ? -12.859 -4.212 8.933 1.00 91.43 167 A 1 ATOM 1394 C CG . GLU A 1 167 ? -13.877 -3.389 8.125 1.00 86.62 167 A 1 ATOM 1395 C CD . GLU A 1 167 ? -14.548 -4.186 6.990 1.00 82.39 167 A 1 ATOM 1396 O OE1 . GLU A 1 167 ? -15.208 -3.530 6.145 1.00 76.66 167 A 1 ATOM 1397 O OE2 . GLU A 1 167 ? -14.391 -5.427 6.934 1.00 77.71 167 A 1 ATOM 1398 N N . ILE A 1 168 ? -10.126 -4.800 10.520 1.00 92.26 168 A 1 ATOM 1399 C CA . ILE A 1 168 ? -9.314 -5.647 11.408 1.00 91.45 168 A 1 ATOM 1400 C C . ILE A 1 168 ? -8.644 -4.833 12.526 1.00 91.31 168 A 1 ATOM 1401 O O . ILE A 1 168 ? -8.635 -5.261 13.676 1.00 90.29 168 A 1 ATOM 1402 C CB . ILE A 1 168 ? -8.281 -6.442 10.575 1.00 91.86 168 A 1 ATOM 1403 C CG1 . ILE A 1 168 ? -9.002 -7.463 9.660 1.00 91.60 168 A 1 ATOM 1404 C CG2 . ILE A 1 168 ? -7.264 -7.175 11.468 1.00 91.42 168 A 1 ATOM 1405 C CD1 . ILE A 1 168 ? -8.117 -8.014 8.533 1.00 89.43 168 A 1 ATOM 1406 N N . LEU A 1 169 ? -8.059 -3.672 12.199 1.00 92.32 169 A 1 ATOM 1407 C CA . LEU A 1 169 ? -7.261 -2.882 13.146 1.00 91.14 169 A 1 ATOM 1408 C C . LEU A 1 169 ? -8.102 -2.028 14.104 1.00 89.65 169 A 1 ATOM 1409 O O . LEU A 1 169 ? -7.633 -1.708 15.195 1.00 87.44 169 A 1 ATOM 1410 C CB . LEU A 1 169 ? -6.274 -1.994 12.366 1.00 92.11 169 A 1 ATOM 1411 C CG . LEU A 1 169 ? -5.154 -2.746 11.621 1.00 91.50 169 A 1 ATOM 1412 C CD1 . LEU A 1 169 ? -4.278 -1.730 10.883 1.00 90.08 169 A 1 ATOM 1413 C CD2 . LEU A 1 169 ? -4.249 -3.553 12.553 1.00 90.67 169 A 1 ATOM 1414 N N . PHE A 1 170 ? -9.322 -1.642 13.700 1.00 92.27 170 A 1 ATOM 1415 C CA . PHE A 1 170 ? -10.155 -0.683 14.432 1.00 90.66 170 A 1 ATOM 1416 C C . PHE A 1 170 ? -11.553 -1.223 14.795 1.00 86.77 170 A 1 ATOM 1417 O O . PHE A 1 170 ? -12.463 -0.437 15.034 1.00 78.42 170 A 1 ATOM 1418 C CB . PHE A 1 170 ? -10.209 0.647 13.655 1.00 90.82 170 A 1 ATOM 1419 C CG . PHE A 1 170 ? -8.866 1.219 13.221 1.00 92.42 170 A 1 ATOM 1420 C CD1 . PHE A 1 170 ? -7.807 1.347 14.135 1.00 89.94 170 A 1 ATOM 1421 C CD2 . PHE A 1 170 ? -8.674 1.621 11.886 1.00 91.01 170 A 1 ATOM 1422 C CE1 . PHE A 1 170 ? -6.563 1.860 13.710 1.00 90.68 170 A 1 ATOM 1423 C CE2 . PHE A 1 170 ? -7.437 2.137 11.466 1.00 91.62 170 A 1 ATOM 1424 C CZ . PHE A 1 170 ? -6.377 2.253 12.376 1.00 92.48 170 A 1 ATOM 1425 N N . GLN A 1 171 ? -11.716 -2.562 14.870 1.00 83.16 171 A 1 ATOM 1426 C CA . GLN A 1 171 ? -12.992 -3.257 15.142 1.00 78.56 171 A 1 ATOM 1427 C C . GLN A 1 171 ? -13.811 -2.656 16.299 1.00 76.57 171 A 1 ATOM 1428 O O . GLN A 1 171 ? -15.026 -2.508 16.173 1.00 69.29 171 A 1 ATOM 1429 C CB . GLN A 1 171 ? -12.717 -4.754 15.406 1.00 72.74 171 A 1 ATOM 1430 C CG . GLN A 1 171 ? -12.890 -5.589 14.133 1.00 63.86 171 A 1 ATOM 1431 C CD . GLN A 1 171 ? -12.392 -7.026 14.200 1.00 58.14 171 A 1 ATOM 1432 O OE1 . GLN A 1 171 ? -12.116 -7.618 15.226 1.00 53.99 171 A 1 ATOM 1433 N NE2 . GLN A 1 171 ? -12.262 -7.675 13.064 1.00 50.38 171 A 1 ATOM 1434 N N . ASP A 1 172 ? -13.157 -2.203 17.369 1.00 71.73 172 A 1 ATOM 1435 C CA . ASP A 1 172 ? -13.825 -1.658 18.565 1.00 69.43 172 A 1 ATOM 1436 C C . ASP A 1 172 ? -14.398 -0.233 18.390 1.00 65.95 172 A 1 ATOM 1437 O O . ASP A 1 172 ? -14.990 0.326 19.317 1.00 61.24 172 A 1 ATOM 1438 C CB . ASP A 1 172 ? -12.836 -1.690 19.740 1.00 65.17 172 A 1 ATOM 1439 C CG . ASP A 1 172 ? -12.363 -3.103 20.094 1.00 59.79 172 A 1 ATOM 1440 O OD1 . ASP A 1 172 ? -13.180 -4.040 19.981 1.00 57.73 172 A 1 ATOM 1441 O OD2 . ASP A 1 172 ? -11.182 -3.222 20.479 1.00 56.63 172 A 1 ATOM 1442 N N . LYS A 1 173 ? -14.199 0.393 17.219 1.00 62.51 173 A 1 ATOM 1443 C CA . LYS A 1 173 ? -14.584 1.794 16.958 1.00 60.38 173 A 1 ATOM 1444 C C . LYS A 1 173 ? -15.580 1.975 15.812 1.00 59.23 173 A 1 ATOM 1445 O O . LYS A 1 173 ? -15.989 3.108 15.559 1.00 54.90 173 A 1 ATOM 1446 C CB . LYS A 1 173 ? -13.332 2.654 16.752 1.00 55.53 173 A 1 ATOM 1447 C CG . LYS A 1 173 ? -12.468 2.743 18.016 1.00 51.38 173 A 1 ATOM 1448 C CD . LYS A 1 173 ? -11.338 3.753 17.799 1.00 48.38 173 A 1 ATOM 1449 C CE . LYS A 1 173 ? -10.464 3.838 19.049 1.00 46.17 173 A 1 ATOM 1450 N NZ . LYS A 1 173 ? -9.352 4.789 18.843 1.00 40.35 173 A 1 ATOM 1451 N N . ILE A 1 174 ? -15.980 0.912 15.118 1.00 52.43 174 A 1 ATOM 1452 C CA . ILE A 1 174 ? -16.967 1.002 14.034 1.00 53.79 174 A 1 ATOM 1453 C C . ILE A 1 174 ? -18.369 0.876 14.655 1.00 53.43 174 A 1 ATOM 1454 O O . ILE A 1 174 ? -18.711 -0.199 15.149 1.00 50.61 174 A 1 ATOM 1455 C CB . ILE A 1 174 ? -16.696 -0.045 12.926 1.00 51.30 174 A 1 ATOM 1456 C CG1 . ILE A 1 174 ? -15.258 0.110 12.372 1.00 48.27 174 A 1 ATOM 1457 C CG2 . ILE A 1 174 ? -17.724 0.120 11.788 1.00 47.80 174 A 1 ATOM 1458 C CD1 . ILE A 1 174 ? -14.863 -0.943 11.331 1.00 46.71 174 A 1 ATOM 1459 N N . PRO A 1 175 ? -19.211 1.935 14.655 1.00 48.84 175 A 1 ATOM 1460 C CA . PRO A 1 175 ? -20.615 1.776 15.005 1.00 51.66 175 A 1 ATOM 1461 C C . PRO A 1 175 ? -21.204 0.734 14.051 1.00 52.48 175 A 1 ATOM 1462 O O . PRO A 1 175 ? -21.102 0.898 12.838 1.00 50.55 175 A 1 ATOM 1463 C CB . PRO A 1 175 ? -21.271 3.154 14.829 1.00 49.59 175 A 1 ATOM 1464 C CG . PRO A 1 175 ? -20.095 4.124 14.712 1.00 49.52 175 A 1 ATOM 1465 C CD . PRO A 1 175 ? -18.949 3.270 14.165 1.00 53.92 175 A 1 ATOM 1466 N N . GLN A 1 176 ? -21.803 -0.339 14.578 1.00 44.81 176 A 1 ATOM 1467 C CA . GLN A 1 176 ? -22.553 -1.279 13.748 1.00 45.40 176 A 1 ATOM 1468 C C . GLN A 1 176 ? -23.531 -0.461 12.897 1.00 45.29 176 A 1 ATOM 1469 O O . GLN A 1 176 ? -24.450 0.161 13.435 1.00 43.55 176 A 1 ATOM 1470 C CB . GLN A 1 176 ? -23.315 -2.303 14.608 1.00 45.04 176 A 1 ATOM 1471 C CG . GLN A 1 176 ? -22.403 -3.353 15.264 1.00 41.42 176 A 1 ATOM 1472 C CD . GLN A 1 176 ? -23.182 -4.455 15.985 1.00 36.65 176 A 1 ATOM 1473 O OE1 . GLN A 1 176 ? -24.398 -4.450 16.091 1.00 36.11 176 A 1 ATOM 1474 N NE2 . GLN A 1 176 ? -22.502 -5.452 16.510 1.00 34.60 176 A 1 ATOM 1475 N N . ARG A 1 177 ? -23.313 -0.425 11.571 1.00 36.27 177 A 1 ATOM 1476 C CA . ARG A 1 177 ? -24.285 0.157 10.640 1.00 38.23 177 A 1 ATOM 1477 C C . ARG A 1 177 ? -25.568 -0.650 10.817 1.00 36.29 177 A 1 ATOM 1478 O O . ARG A 1 177 ? -25.672 -1.769 10.322 1.00 35.35 177 A 1 ATOM 1479 C CB . ARG A 1 177 ? -23.780 0.116 9.184 1.00 38.73 177 A 1 ATOM 1480 C CG . ARG A 1 177 ? -22.731 1.197 8.862 1.00 37.09 177 A 1 ATOM 1481 C CD . ARG A 1 177 ? -22.378 1.159 7.365 1.00 35.90 177 A 1 ATOM 1482 N NE . ARG A 1 177 ? -21.411 2.211 6.987 1.00 33.29 177 A 1 ATOM 1483 C CZ . ARG A 1 177 ? -21.019 2.516 5.757 1.00 31.24 177 A 1 ATOM 1484 N NH1 . ARG A 1 177 ? -21.466 1.880 4.712 1.00 30.00 177 A 1 ATOM 1485 N NH2 . ARG A 1 177 ? -20.155 3.474 5.555 1.00 30.14 177 A 1 ATOM 1486 N N . ARG A 1 178 ? -26.523 -0.105 11.577 1.00 29.82 178 A 1 ATOM 1487 C CA . ARG A 1 178 ? -27.896 -0.600 11.579 1.00 33.07 178 A 1 ATOM 1488 C C . ARG A 1 178 ? -28.405 -0.403 10.154 1.00 32.16 178 A 1 ATOM 1489 O O . ARG A 1 178 ? -28.652 0.725 9.744 1.00 30.98 178 A 1 ATOM 1490 C CB . ARG A 1 178 ? -28.763 0.151 12.603 1.00 32.37 178 A 1 ATOM 1491 C CG . ARG A 1 178 ? -28.467 -0.261 14.056 1.00 29.77 178 A 1 ATOM 1492 C CD . ARG A 1 178 ? -29.447 0.442 15.012 1.00 28.08 178 A 1 ATOM 1493 N NE . ARG A 1 178 ? -29.233 0.040 16.419 1.00 25.31 178 A 1 ATOM 1494 C CZ . ARG A 1 178 ? -29.955 0.420 17.461 1.00 23.16 178 A 1 ATOM 1495 N NH1 . ARG A 1 178 ? -30.961 1.239 17.341 1.00 22.89 178 A 1 ATOM 1496 N NH2 . ARG A 1 178 ? -29.675 -0.018 18.655 1.00 22.81 178 A 1 ATOM 1497 N N . TYR A 1 179 ? -28.479 -1.494 9.403 1.00 35.14 179 A 1 ATOM 1498 C CA . TYR A 1 179 ? -29.283 -1.546 8.191 1.00 34.34 179 A 1 ATOM 1499 C C . TYR A 1 179 ? -30.739 -1.388 8.650 1.00 32.42 179 A 1 ATOM 1500 O O . TYR A 1 179 ? -31.274 -2.282 9.301 1.00 28.87 179 A 1 ATOM 1501 C CB . TYR A 1 179 ? -29.019 -2.865 7.454 1.00 31.70 179 A 1 ATOM 1502 C CG . TYR A 1 179 ? -27.604 -3.003 6.907 1.00 29.82 179 A 1 ATOM 1503 C CD1 . TYR A 1 179 ? -27.286 -2.458 5.648 1.00 27.50 179 A 1 ATOM 1504 C CD2 . TYR A 1 179 ? -26.602 -3.671 7.648 1.00 25.97 179 A 1 ATOM 1505 C CE1 . TYR A 1 179 ? -25.981 -2.582 5.127 1.00 24.08 179 A 1 ATOM 1506 C CE2 . TYR A 1 179 ? -25.292 -3.792 7.132 1.00 25.41 179 A 1 ATOM 1507 C CZ . TYR A 1 179 ? -24.987 -3.249 5.867 1.00 26.69 179 A 1 ATOM 1508 O OH . TYR A 1 179 ? -23.728 -3.366 5.366 1.00 27.37 179 A 1 ATOM 1509 N N . LEU A 1 180 ? -31.301 -0.193 8.422 1.00 21.85 180 A 1 ATOM 1510 C CA . LEU A 1 180 ? -32.744 0.035 8.391 1.00 22.71 180 A 1 ATOM 1511 C C . LEU A 1 180 ? -33.223 -0.213 6.963 1.00 20.60 180 A 1 ATOM 1512 O O . LEU A 1 180 ? -32.525 0.238 6.038 1.00 17.93 180 A 1 ATOM 1513 C CB . LEU A 1 180 ? -33.078 1.454 8.882 1.00 20.02 180 A 1 ATOM 1514 C CG . LEU A 1 180 ? -32.946 1.662 10.399 1.00 18.68 180 A 1 ATOM 1515 C CD1 . LEU A 1 180 ? -33.095 3.150 10.729 1.00 18.45 180 A 1 ATOM 1516 C CD2 . LEU A 1 180 ? -34.006 0.893 11.186 1.00 19.52 180 A 1 ATOM 1517 O OXT . LEU A 1 180 ? -34.304 -0.855 6.875 1.00 17.38 180 A 1 #