# 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_acriia11 # _entry.id acriia11 # 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 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 ALA 2 1 n ASP 3 1 n MET 4 1 n THR 5 1 n LEU 6 1 n ARG 7 1 n GLN 8 1 n PHE 9 1 n CYS 10 1 n GLU 11 1 n ARG 12 1 n TYR 13 1 n ARG 14 1 n LYS 15 1 n GLY 16 1 n ASP 17 1 n PHE 18 1 n LEU 19 1 n ALA 20 1 n LYS 21 1 n ASP 22 1 n ARG 23 1 n GLU 24 1 n THR 25 1 n GLN 26 1 n ILE 27 1 n GLU 28 1 n ALA 29 1 n GLY 30 1 n TRP 31 1 n TYR 32 1 n ASP 33 1 n TRP 34 1 n PHE 35 1 n CYS 36 1 n ASP 37 1 n ASP 38 1 n LYS 39 1 n ALA 40 1 n LEU 41 1 n ALA 42 1 n GLY 43 1 n ARG 44 1 n LEU 45 1 n ALA 46 1 n LYS 47 1 n ILE 48 1 n TRP 49 1 n GLY 50 1 n ILE 51 1 n LEU 52 1 n LYS 53 1 n GLY 54 1 n ILE 55 1 n THR 56 1 n SER 57 1 n ASP 58 1 n TYR 59 1 n ILE 60 1 n LEU 61 1 n ASP 62 1 n ASN 63 1 n TYR 64 1 n ARG 65 1 n VAL 66 1 n TRP 67 1 n PHE 68 1 n LYS 69 1 n ASN 70 1 n ASN 71 1 n CYS 72 1 n PRO 73 1 n MET 74 1 n VAL 75 1 n GLY 76 1 n PRO 77 1 n LEU 78 1 n TYR 79 1 n ASP 80 1 n ASP 81 1 n VAL 82 1 n ARG 83 1 n PHE 84 1 n GLU 85 1 n PRO 86 1 n LEU 87 1 n ASP 88 1 n GLU 89 1 n GLU 90 1 n GLN 91 1 n ARG 92 1 n ASP 93 1 n GLU 94 1 n LEU 95 1 n TYR 96 1 n PHE 97 1 n GLY 98 1 n VAL 99 1 n ALA 100 1 n ILE 101 1 n ASP 102 1 n ASP 103 1 n LYS 104 1 n ARG 105 1 n ARG 106 1 n GLU 107 1 n LYS 108 1 n LYS 109 1 n TYR 110 1 n VAL 111 1 n ILE 112 1 n PHE 113 1 n THR 114 1 n ALA 115 1 n ARG 116 1 n ASN 117 1 n ASP 118 1 n TYR 119 1 n GLU 120 1 n ASN 121 1 n GLU 122 1 n CYS 123 1 n GLY 124 1 n PHE 125 1 n ASN 126 1 n ASN 127 1 n VAL 128 1 n ARG 129 1 n GLU 130 1 n VAL 131 1 n ARG 132 1 n GLN 133 1 n PHE 134 1 n ILE 135 1 n ASN 136 1 n GLY 137 1 n TRP 138 1 n GLU 139 1 n ASP 140 1 n GLU 141 1 n LEU 142 1 n LYS 143 1 n ASN 144 1 n GLU 145 1 n GLU 146 1 n PHE 147 1 n TYR 148 1 n LYS 149 1 n ALA 150 1 n ARG 151 1 n GLU 152 1 n LYS 153 1 n LYS 154 1 n ARG 155 1 n GLN 156 1 n GLU 157 1 n MET 158 1 n GLU 159 1 n GLU 160 1 n ALA 161 1 n ASN 162 1 n ASN 163 1 n LYS 164 1 n PHE 165 1 n ALA 166 1 n GLU 167 1 n ILE 168 1 n MET 169 1 n GLN 170 1 n ARG 171 1 n ALA 172 1 n ASP 173 1 n GLU 174 1 n ILE 175 1 n LEU 176 1 n TRP 177 1 n ASN 178 1 n LEU 179 1 n LYS 180 1 n GLU 181 1 n ASP 182 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-06 19:45:51)" _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 90.82 _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 63.73 1 1 A ALA 2 2 71.09 1 2 A ASP 3 2 75.78 1 3 A MET 4 2 92.77 1 4 A THR 5 2 97.05 1 5 A LEU 6 2 97.63 1 6 A ARG 7 2 96.74 1 7 A GLN 8 2 93.85 1 8 A PHE 9 2 96.94 1 9 A CYS 10 2 97.26 1 10 A GLU 11 2 90.53 1 11 A ARG 12 2 92.61 1 12 A TYR 13 2 96.05 1 13 A ARG 14 2 91.78 1 14 A LYS 15 2 88.72 1 15 A GLY 16 2 95.30 1 16 A ASP 17 2 92.56 1 17 A PHE 18 2 93.24 1 18 A LEU 19 2 90.26 1 19 A ALA 20 2 93.48 1 20 A LYS 21 2 88.37 1 21 A ASP 22 2 90.94 1 22 A ARG 23 2 85.95 1 23 A GLU 24 2 83.11 1 24 A THR 25 2 92.51 1 25 A GLN 26 2 91.96 1 26 A ILE 27 2 91.99 1 27 A GLU 28 2 89.02 1 28 A ALA 29 2 93.01 1 29 A GLY 30 2 94.15 1 30 A TRP 31 2 93.57 1 31 A TYR 32 2 78.03 1 32 A ASP 33 2 81.58 1 33 A TRP 34 2 87.24 1 34 A PHE 35 2 78.80 1 35 A CYS 36 2 85.84 1 36 A ASP 37 2 84.15 1 37 A ASP 38 2 88.99 1 38 A LYS 39 2 84.25 1 39 A ALA 40 2 92.78 1 40 A LEU 41 2 92.93 1 41 A ALA 42 2 94.08 1 42 A GLY 43 2 94.76 1 43 A ARG 44 2 90.35 1 44 A LEU 45 2 94.96 1 45 A ALA 46 2 95.68 1 46 A LYS 47 2 86.48 1 47 A ILE 48 2 96.27 1 48 A TRP 49 2 96.21 1 49 A GLY 50 2 96.74 1 50 A ILE 51 2 97.10 1 51 A LEU 52 2 97.51 1 52 A LYS 53 2 93.42 1 53 A GLY 54 2 95.58 1 54 A ILE 55 2 97.05 1 55 A THR 56 2 97.66 1 56 A SER 57 2 97.81 1 57 A ASP 58 2 96.62 1 58 A TYR 59 2 97.05 1 59 A ILE 60 2 97.47 1 60 A LEU 61 2 97.87 1 61 A ASP 62 2 96.91 1 62 A ASN 63 2 95.27 1 63 A TYR 64 2 97.95 1 64 A ARG 65 2 90.16 1 65 A VAL 66 2 96.25 1 66 A TRP 67 2 92.67 1 67 A PHE 68 2 94.86 1 68 A LYS 69 2 88.01 1 69 A ASN 70 2 85.64 1 70 A ASN 71 2 86.13 1 71 A CYS 72 2 81.96 1 72 A PRO 73 2 83.08 1 73 A MET 74 2 73.16 1 74 A VAL 75 2 80.23 1 75 A GLY 76 2 84.75 1 76 A PRO 77 2 86.13 1 77 A LEU 78 2 85.33 1 78 A TYR 79 2 90.37 1 79 A ASP 80 2 93.18 1 80 A ASP 81 2 93.06 1 81 A VAL 82 2 96.56 1 82 A ARG 83 2 92.70 1 83 A PHE 84 2 98.06 1 84 A GLU 85 2 92.90 1 85 A PRO 86 2 97.35 1 86 A LEU 87 2 95.74 1 87 A ASP 88 2 94.10 1 88 A GLU 89 2 85.77 1 89 A GLU 90 2 88.15 1 90 A GLN 91 2 89.33 1 91 A ARG 92 2 89.33 1 92 A ASP 93 2 91.84 1 93 A GLU 94 2 85.01 1 94 A LEU 95 2 96.32 1 95 A TYR 96 2 96.25 1 96 A PHE 97 2 98.12 1 97 A GLY 98 2 97.92 1 98 A VAL 99 2 97.48 1 99 A ALA 100 2 96.31 1 100 A ILE 101 2 94.11 1 101 A ASP 102 2 86.89 1 102 A ASP 103 2 87.84 1 103 A LYS 104 2 83.55 1 104 A ARG 105 2 82.34 1 105 A ARG 106 2 79.90 1 106 A GLU 107 2 80.64 1 107 A LYS 108 2 88.36 1 108 A LYS 109 2 90.88 1 109 A TYR 110 2 96.95 1 110 A VAL 111 2 96.58 1 111 A ILE 112 2 96.02 1 112 A PHE 113 2 96.43 1 113 A THR 114 2 96.39 1 114 A ALA 115 2 96.61 1 115 A ARG 116 2 93.45 1 116 A ASN 117 2 92.83 1 117 A ASP 118 2 91.25 1 118 A TYR 119 2 94.35 1 119 A GLU 120 2 88.05 1 120 A ASN 121 2 92.75 1 121 A GLU 122 2 92.66 1 122 A CYS 123 2 95.64 1 123 A GLY 124 2 96.69 1 124 A PHE 125 2 96.41 1 125 A ASN 126 2 93.66 1 126 A ASN 127 2 90.32 1 127 A VAL 128 2 95.91 1 128 A ARG 129 2 82.31 1 129 A GLU 130 2 93.65 1 130 A VAL 131 2 97.87 1 131 A ARG 132 2 94.38 1 132 A GLN 133 2 89.49 1 133 A PHE 134 2 96.20 1 134 A ILE 135 2 98.03 1 135 A ASN 136 2 97.38 1 136 A GLY 137 2 97.62 1 137 A TRP 138 2 96.06 1 138 A GLU 139 2 91.39 1 139 A ASP 140 2 93.08 1 140 A GLU 141 2 89.91 1 141 A LEU 142 2 94.30 1 142 A LYS 143 2 91.67 1 143 A ASN 144 2 92.37 1 144 A GLU 145 2 89.37 1 145 A GLU 146 2 86.64 1 146 A PHE 147 2 91.72 1 147 A TYR 148 2 92.67 1 148 A LYS 149 2 91.78 1 149 A ALA 150 2 94.60 1 150 A ARG 151 2 84.36 1 151 A GLU 152 2 85.77 1 152 A LYS 153 2 90.49 1 153 A LYS 154 2 85.31 1 154 A ARG 155 2 79.06 1 155 A GLN 156 2 91.79 1 156 A GLU 157 2 94.14 1 157 A MET 158 2 86.15 1 158 A GLU 159 2 86.70 1 159 A GLU 160 2 89.86 1 160 A ALA 161 2 97.37 1 161 A ASN 162 2 91.26 1 162 A ASN 163 2 95.52 1 163 A LYS 164 2 88.28 1 164 A PHE 165 2 89.49 1 165 A ALA 166 2 97.02 1 166 A GLU 167 2 89.58 1 167 A ILE 168 2 95.29 1 168 A MET 169 2 87.48 1 169 A GLN 170 2 87.41 1 170 A ARG 171 2 81.86 1 171 A ALA 172 2 95.74 1 172 A ASP 173 2 93.73 1 173 A GLU 174 2 89.30 1 174 A ILE 175 2 94.32 1 175 A LEU 176 2 90.82 1 176 A TRP 177 2 79.38 1 177 A ASN 178 2 88.27 1 178 A LEU 179 2 87.93 1 179 A LYS 180 2 82.22 1 180 A GLU 181 2 80.90 1 181 A ASP 182 2 82.19 1 182 # _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 ALA . 2 A 2 A 3 1 n ASP . 3 A 3 A 4 1 n MET . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n GLN . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n GLU . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n ARG . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n LYS . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n ARG . 23 A 23 A 24 1 n GLU . 24 A 24 A 25 1 n THR . 25 A 25 A 26 1 n GLN . 26 A 26 A 27 1 n ILE . 27 A 27 A 28 1 n GLU . 28 A 28 A 29 1 n ALA . 29 A 29 A 30 1 n GLY . 30 A 30 A 31 1 n TRP . 31 A 31 A 32 1 n TYR . 32 A 32 A 33 1 n ASP . 33 A 33 A 34 1 n TRP . 34 A 34 A 35 1 n PHE . 35 A 35 A 36 1 n CYS . 36 A 36 A 37 1 n ASP . 37 A 37 A 38 1 n ASP . 38 A 38 A 39 1 n LYS . 39 A 39 A 40 1 n ALA . 40 A 40 A 41 1 n LEU . 41 A 41 A 42 1 n ALA . 42 A 42 A 43 1 n GLY . 43 A 43 A 44 1 n ARG . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n ILE . 48 A 48 A 49 1 n TRP . 49 A 49 A 50 1 n GLY . 50 A 50 A 51 1 n ILE . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n LYS . 53 A 53 A 54 1 n GLY . 54 A 54 A 55 1 n ILE . 55 A 55 A 56 1 n THR . 56 A 56 A 57 1 n SER . 57 A 57 A 58 1 n ASP . 58 A 58 A 59 1 n TYR . 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 ASN . 63 A 63 A 64 1 n TYR . 64 A 64 A 65 1 n ARG . 65 A 65 A 66 1 n VAL . 66 A 66 A 67 1 n TRP . 67 A 67 A 68 1 n PHE . 68 A 68 A 69 1 n LYS . 69 A 69 A 70 1 n ASN . 70 A 70 A 71 1 n ASN . 71 A 71 A 72 1 n CYS . 72 A 72 A 73 1 n PRO . 73 A 73 A 74 1 n MET . 74 A 74 A 75 1 n VAL . 75 A 75 A 76 1 n GLY . 76 A 76 A 77 1 n PRO . 77 A 77 A 78 1 n LEU . 78 A 78 A 79 1 n TYR . 79 A 79 A 80 1 n ASP . 80 A 80 A 81 1 n ASP . 81 A 81 A 82 1 n VAL . 82 A 82 A 83 1 n ARG . 83 A 83 A 84 1 n PHE . 84 A 84 A 85 1 n GLU . 85 A 85 A 86 1 n PRO . 86 A 86 A 87 1 n LEU . 87 A 87 A 88 1 n ASP . 88 A 88 A 89 1 n GLU . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n GLN . 91 A 91 A 92 1 n ARG . 92 A 92 A 93 1 n ASP . 93 A 93 A 94 1 n GLU . 94 A 94 A 95 1 n LEU . 95 A 95 A 96 1 n TYR . 96 A 96 A 97 1 n PHE . 97 A 97 A 98 1 n GLY . 98 A 98 A 99 1 n VAL . 99 A 99 A 100 1 n ALA . 100 A 100 A 101 1 n ILE . 101 A 101 A 102 1 n ASP . 102 A 102 A 103 1 n ASP . 103 A 103 A 104 1 n LYS . 104 A 104 A 105 1 n ARG . 105 A 105 A 106 1 n ARG . 106 A 106 A 107 1 n GLU . 107 A 107 A 108 1 n LYS . 108 A 108 A 109 1 n LYS . 109 A 109 A 110 1 n TYR . 110 A 110 A 111 1 n VAL . 111 A 111 A 112 1 n ILE . 112 A 112 A 113 1 n PHE . 113 A 113 A 114 1 n THR . 114 A 114 A 115 1 n ALA . 115 A 115 A 116 1 n ARG . 116 A 116 A 117 1 n ASN . 117 A 117 A 118 1 n ASP . 118 A 118 A 119 1 n TYR . 119 A 119 A 120 1 n GLU . 120 A 120 A 121 1 n ASN . 121 A 121 A 122 1 n GLU . 122 A 122 A 123 1 n CYS . 123 A 123 A 124 1 n GLY . 124 A 124 A 125 1 n PHE . 125 A 125 A 126 1 n ASN . 126 A 126 A 127 1 n ASN . 127 A 127 A 128 1 n VAL . 128 A 128 A 129 1 n ARG . 129 A 129 A 130 1 n GLU . 130 A 130 A 131 1 n VAL . 131 A 131 A 132 1 n ARG . 132 A 132 A 133 1 n GLN . 133 A 133 A 134 1 n PHE . 134 A 134 A 135 1 n ILE . 135 A 135 A 136 1 n ASN . 136 A 136 A 137 1 n GLY . 137 A 137 A 138 1 n TRP . 138 A 138 A 139 1 n GLU . 139 A 139 A 140 1 n ASP . 140 A 140 A 141 1 n GLU . 141 A 141 A 142 1 n LEU . 142 A 142 A 143 1 n LYS . 143 A 143 A 144 1 n ASN . 144 A 144 A 145 1 n GLU . 145 A 145 A 146 1 n GLU . 146 A 146 A 147 1 n PHE . 147 A 147 A 148 1 n TYR . 148 A 148 A 149 1 n LYS . 149 A 149 A 150 1 n ALA . 150 A 150 A 151 1 n ARG . 151 A 151 A 152 1 n GLU . 152 A 152 A 153 1 n LYS . 153 A 153 A 154 1 n LYS . 154 A 154 A 155 1 n ARG . 155 A 155 A 156 1 n GLN . 156 A 156 A 157 1 n GLU . 157 A 157 A 158 1 n MET . 158 A 158 A 159 1 n GLU . 159 A 159 A 160 1 n GLU . 160 A 160 A 161 1 n ALA . 161 A 161 A 162 1 n ASN . 162 A 162 A 163 1 n ASN . 163 A 163 A 164 1 n LYS . 164 A 164 A 165 1 n PHE . 165 A 165 A 166 1 n ALA . 166 A 166 A 167 1 n GLU . 167 A 167 A 168 1 n ILE . 168 A 168 A 169 1 n MET . 169 A 169 A 170 1 n GLN . 170 A 170 A 171 1 n ARG . 171 A 171 A 172 1 n ALA . 172 A 172 A 173 1 n ASP . 173 A 173 A 174 1 n GLU . 174 A 174 A 175 1 n ILE . 175 A 175 A 176 1 n LEU . 176 A 176 A 177 1 n TRP . 177 A 177 A 178 1 n ASN . 178 A 178 A 179 1 n LEU . 179 A 179 A 180 1 n LYS . 180 A 180 A 181 1 n GLU . 181 A 181 A 182 1 n ASP . 182 A 182 # _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 ? -2.662 -15.761 5.947 1.00 63.31 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.648 -14.708 5.724 1.00 70.56 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.342 -15.231 6.278 1.00 73.50 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.411 -15.992 7.244 1.00 67.90 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.079 -13.396 6.396 1.00 65.37 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.860 -12.191 5.483 1.00 60.63 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.530 -10.647 6.159 1.00 56.83 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.312 -10.869 5.911 1.00 51.75 1 A 1 ATOM 9 N N . ALA A 1 2 ? 0.806 -14.934 5.664 1.00 69.72 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 2.079 -15.457 6.161 1.00 72.50 2 A 1 ATOM 11 C C . ALA A 1 2 ? 2.342 -14.946 7.590 1.00 76.35 2 A 1 ATOM 12 O O . ALA A 1 2 ? 2.356 -13.737 7.818 1.00 71.33 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 3.198 -15.069 5.188 1.00 65.53 2 A 1 ATOM 14 N N . ASP A 1 3 ? 2.533 -15.870 8.529 1.00 82.60 3 A 1 ATOM 15 C CA . ASP A 1 3 ? 2.786 -15.571 9.944 1.00 85.26 3 A 1 ATOM 16 C C . ASP A 1 3 ? 4.297 -15.387 10.171 1.00 88.31 3 A 1 ATOM 17 O O . ASP A 1 3 ? 4.986 -16.232 10.737 1.00 83.74 3 A 1 ATOM 18 C CB . ASP A 1 3 ? 2.143 -16.658 10.819 1.00 77.22 3 A 1 ATOM 19 C CG . ASP A 1 3 ? 2.090 -16.272 12.302 1.00 66.91 3 A 1 ATOM 20 O OD1 . ASP A 1 3 ? 2.151 -15.053 12.582 1.00 61.77 3 A 1 ATOM 21 O OD2 . ASP A 1 3 ? 1.926 -17.206 13.119 1.00 60.45 3 A 1 ATOM 22 N N . MET A 1 4 ? 4.842 -14.301 9.598 1.00 94.18 4 A 1 ATOM 23 C CA . MET A 1 4 ? 6.256 -13.952 9.723 1.00 95.16 4 A 1 ATOM 24 C C . MET A 1 4 ? 6.439 -12.435 9.769 1.00 96.52 4 A 1 ATOM 25 O O . MET A 1 4 ? 5.751 -11.692 9.063 1.00 96.04 4 A 1 ATOM 26 C CB . MET A 1 4 ? 7.079 -14.590 8.590 1.00 92.38 4 A 1 ATOM 27 C CG . MET A 1 4 ? 6.838 -13.974 7.202 1.00 90.79 4 A 1 ATOM 28 S SD . MET A 1 4 ? 7.707 -14.793 5.837 1.00 91.43 4 A 1 ATOM 29 C CE . MET A 1 4 ? 6.600 -16.207 5.590 1.00 85.67 4 A 1 ATOM 30 N N . THR A 1 5 ? 7.420 -11.989 10.540 1.00 97.56 5 A 1 ATOM 31 C CA . THR A 1 5 ? 7.836 -10.583 10.551 1.00 97.69 5 A 1 ATOM 32 C C . THR A 1 5 ? 8.404 -10.175 9.191 1.00 97.79 5 A 1 ATOM 33 O O . THR A 1 5 ? 8.897 -11.004 8.412 1.00 97.62 5 A 1 ATOM 34 C CB . THR A 1 5 ? 8.870 -10.293 11.648 1.00 97.52 5 A 1 ATOM 35 O OG1 . THR A 1 5 ? 10.078 -10.976 11.385 1.00 95.78 5 A 1 ATOM 36 C CG2 . THR A 1 5 ? 8.409 -10.698 13.046 1.00 95.36 5 A 1 ATOM 37 N N . LEU A 1 6 ? 8.414 -8.874 8.900 1.00 97.88 6 A 1 ATOM 38 C CA . LEU A 1 6 ? 9.068 -8.361 7.694 1.00 98.10 6 A 1 ATOM 39 C C . LEU A 1 6 ? 10.562 -8.724 7.653 1.00 98.17 6 A 1 ATOM 40 O O . LEU A 1 6 ? 11.097 -9.001 6.579 1.00 98.04 6 A 1 ATOM 41 C CB . LEU A 1 6 ? 8.842 -6.843 7.609 1.00 98.08 6 A 1 ATOM 42 C CG . LEU A 1 6 ? 9.539 -6.183 6.403 1.00 97.48 6 A 1 ATOM 43 C CD1 . LEU A 1 6 ? 9.094 -6.770 5.058 1.00 96.63 6 A 1 ATOM 44 C CD2 . LEU A 1 6 ? 9.238 -4.690 6.384 1.00 96.69 6 A 1 ATOM 45 N N . ARG A 1 7 ? 11.237 -8.787 8.788 1.00 98.07 7 A 1 ATOM 46 C CA . ARG A 1 7 ? 12.634 -9.238 8.885 1.00 97.96 7 A 1 ATOM 47 C C . ARG A 1 7 ? 12.788 -10.669 8.382 1.00 97.91 7 A 1 ATOM 48 O O . ARG A 1 7 ? 13.587 -10.905 7.468 1.00 97.67 7 A 1 ATOM 49 C CB . ARG A 1 7 ? 13.137 -9.081 10.333 1.00 97.82 7 A 1 ATOM 50 C CG . ARG A 1 7 ? 14.648 -9.335 10.420 1.00 97.30 7 A 1 ATOM 51 C CD . ARG A 1 7 ? 15.186 -9.163 11.843 1.00 97.21 7 A 1 ATOM 52 N NE . ARG A 1 7 ? 14.977 -7.807 12.378 1.00 96.52 7 A 1 ATOM 53 C CZ . ARG A 1 7 ? 15.674 -6.703 12.166 1.00 97.07 7 A 1 ATOM 54 N NH1 . ARG A 1 7 ? 16.691 -6.643 11.370 1.00 93.09 7 A 1 ATOM 55 N NH2 . ARG A 1 7 ? 15.346 -5.615 12.787 1.00 93.56 7 A 1 ATOM 56 N N . GLN A 1 8 ? 11.982 -11.587 8.895 1.00 97.66 8 A 1 ATOM 57 C CA . GLN A 1 8 ? 11.972 -12.989 8.474 1.00 97.34 8 A 1 ATOM 58 C C . GLN A 1 8 ? 11.629 -13.120 6.987 1.00 97.40 8 A 1 ATOM 59 O O . GLN A 1 8 ? 12.323 -13.836 6.256 1.00 97.16 8 A 1 ATOM 60 C CB . GLN A 1 8 ? 10.947 -13.765 9.310 1.00 97.08 8 A 1 ATOM 61 C CG . GLN A 1 8 ? 11.398 -14.001 10.758 1.00 93.83 8 A 1 ATOM 62 C CD . GLN A 1 8 ? 10.245 -14.492 11.632 1.00 92.90 8 A 1 ATOM 63 O OE1 . GLN A 1 8 ? 9.085 -14.195 11.405 1.00 86.66 8 A 1 ATOM 64 N NE2 . GLN A 1 8 ? 10.511 -15.244 12.673 1.00 84.65 8 A 1 ATOM 65 N N . PHE A 1 9 ? 10.626 -12.373 6.500 1.00 97.37 9 A 1 ATOM 66 C CA . PHE A 1 9 ? 10.304 -12.324 5.075 1.00 97.40 9 A 1 ATOM 67 C C . PHE A 1 9 ? 11.523 -11.904 4.240 1.00 97.55 9 A 1 ATOM 68 O O . PHE A 1 9 ? 11.865 -12.561 3.257 1.00 97.40 9 A 1 ATOM 69 C CB . PHE A 1 9 ? 9.126 -11.365 4.836 1.00 97.24 9 A 1 ATOM 70 C CG . PHE A 1 9 ? 8.835 -11.161 3.360 1.00 97.30 9 A 1 ATOM 71 C CD1 . PHE A 1 9 ? 9.496 -10.148 2.637 1.00 96.63 9 A 1 ATOM 72 C CD2 . PHE A 1 9 ? 7.971 -12.045 2.685 1.00 96.79 9 A 1 ATOM 73 C CE1 . PHE A 1 9 ? 9.309 -10.036 1.248 1.00 96.26 9 A 1 ATOM 74 C CE2 . PHE A 1 9 ? 7.781 -11.930 1.300 1.00 96.19 9 A 1 ATOM 75 C CZ . PHE A 1 9 ? 8.458 -10.931 0.581 1.00 96.19 9 A 1 ATOM 76 N N . CYS A 1 10 ? 12.210 -10.825 4.627 1.00 97.36 10 A 1 ATOM 77 C CA . CYS A 1 10 ? 13.385 -10.323 3.913 1.00 97.31 10 A 1 ATOM 78 C C . CYS A 1 10 ? 14.537 -11.340 3.879 1.00 97.32 10 A 1 ATOM 79 O O . CYS A 1 10 ? 15.233 -11.446 2.870 1.00 97.15 10 A 1 ATOM 80 C CB . CYS A 1 10 ? 13.848 -9.012 4.565 1.00 97.37 10 A 1 ATOM 81 S SG . CYS A 1 10 ? 12.717 -7.661 4.141 1.00 97.05 10 A 1 ATOM 82 N N . GLU A 1 11 ? 14.754 -12.071 4.961 1.00 97.06 11 A 1 ATOM 83 C CA . GLU A 1 11 ? 15.755 -13.140 5.030 1.00 96.77 11 A 1 ATOM 84 C C . GLU A 1 11 ? 15.410 -14.300 4.097 1.00 96.85 11 A 1 ATOM 85 O O . GLU A 1 11 ? 16.257 -14.723 3.308 1.00 96.33 11 A 1 ATOM 86 C CB . GLU A 1 11 ? 15.872 -13.652 6.466 1.00 96.41 11 A 1 ATOM 87 C CG . GLU A 1 11 ? 16.569 -12.637 7.381 1.00 88.75 11 A 1 ATOM 88 C CD . GLU A 1 11 ? 16.582 -13.083 8.848 1.00 84.90 11 A 1 ATOM 89 O OE1 . GLU A 1 11 ? 17.029 -12.257 9.668 1.00 77.07 11 A 1 ATOM 90 O OE2 . GLU A 1 11 ? 16.196 -14.246 9.113 1.00 80.65 11 A 1 ATOM 91 N N . ARG A 1 12 ? 14.162 -14.762 4.136 1.00 96.91 12 A 1 ATOM 92 C CA . ARG A 1 12 ? 13.672 -15.848 3.277 1.00 96.69 12 A 1 ATOM 93 C C . ARG A 1 12 ? 13.700 -15.460 1.799 1.00 96.91 12 A 1 ATOM 94 O O . ARG A 1 12 ? 14.177 -16.233 0.970 1.00 96.46 12 A 1 ATOM 95 C CB . ARG A 1 12 ? 12.259 -16.255 3.715 1.00 96.32 12 A 1 ATOM 96 C CG . ARG A 1 12 ? 12.248 -16.947 5.095 1.00 94.96 12 A 1 ATOM 97 C CD . ARG A 1 12 ? 10.852 -17.487 5.427 1.00 93.66 12 A 1 ATOM 98 N NE . ARG A 1 12 ? 10.493 -18.563 4.493 1.00 90.50 12 A 1 ATOM 99 C CZ . ARG A 1 12 ? 9.338 -19.168 4.329 1.00 90.22 12 A 1 ATOM 100 N NH1 . ARG A 1 12 ? 8.274 -18.916 5.035 1.00 84.20 12 A 1 ATOM 101 N NH2 . ARG A 1 12 ? 9.236 -20.074 3.408 1.00 81.90 12 A 1 ATOM 102 N N . TYR A 1 13 ? 13.295 -14.237 1.458 1.00 96.67 13 A 1 ATOM 103 C CA . TYR A 1 13 ? 13.365 -13.752 0.079 1.00 96.75 13 A 1 ATOM 104 C C . TYR A 1 13 ? 14.805 -13.759 -0.456 1.00 96.76 13 A 1 ATOM 105 O O . TYR A 1 13 ? 15.049 -14.184 -1.585 1.00 96.10 13 A 1 ATOM 106 C CB . TYR A 1 13 ? 12.750 -12.351 -0.025 1.00 96.65 13 A 1 ATOM 107 C CG . TYR A 1 13 ? 12.562 -11.907 -1.467 1.00 96.84 13 A 1 ATOM 108 C CD1 . TYR A 1 13 ? 13.643 -11.383 -2.203 1.00 96.02 13 A 1 ATOM 109 C CD2 . TYR A 1 13 ? 11.314 -12.082 -2.096 1.00 95.94 13 A 1 ATOM 110 C CE1 . TYR A 1 13 ? 13.482 -11.055 -3.564 1.00 95.53 13 A 1 ATOM 111 C CE2 . TYR A 1 13 ? 11.146 -11.752 -3.454 1.00 95.52 13 A 1 ATOM 112 C CZ . TYR A 1 13 ? 12.235 -11.246 -4.190 1.00 95.41 13 A 1 ATOM 113 O OH . TYR A 1 13 ? 12.086 -10.952 -5.508 1.00 94.36 13 A 1 ATOM 114 N N . ARG A 1 14 ? 15.781 -13.324 0.348 1.00 96.58 14 A 1 ATOM 115 C CA . ARG A 1 14 ? 17.206 -13.348 -0.039 1.00 96.26 14 A 1 ATOM 116 C C . ARG A 1 14 ? 17.755 -14.762 -0.215 1.00 96.24 14 A 1 ATOM 117 O O . ARG A 1 14 ? 18.665 -14.938 -1.020 1.00 95.50 14 A 1 ATOM 118 C CB . ARG A 1 14 ? 18.053 -12.598 0.999 1.00 96.17 14 A 1 ATOM 119 C CG . ARG A 1 14 ? 17.857 -11.077 0.942 1.00 94.51 14 A 1 ATOM 120 C CD . ARG A 1 14 ? 18.675 -10.415 2.053 1.00 93.41 14 A 1 ATOM 121 N NE . ARG A 1 14 ? 18.316 -8.995 2.242 1.00 89.93 14 A 1 ATOM 122 C CZ . ARG A 1 14 ? 17.729 -8.460 3.301 1.00 88.07 14 A 1 ATOM 123 N NH1 . ARG A 1 14 ? 17.355 -9.172 4.328 1.00 80.87 14 A 1 ATOM 124 N NH2 . ARG A 1 14 ? 17.507 -7.177 3.357 1.00 82.07 14 A 1 ATOM 125 N N . LYS A 1 15 ? 17.217 -15.745 0.503 1.00 96.59 15 A 1 ATOM 126 C CA . LYS A 1 15 ? 17.558 -17.170 0.339 1.00 96.25 15 A 1 ATOM 127 C C . LYS A 1 15 ? 16.928 -17.792 -0.908 1.00 96.43 15 A 1 ATOM 128 O O . LYS A 1 15 ? 17.367 -18.852 -1.336 1.00 94.93 15 A 1 ATOM 129 C CB . LYS A 1 15 ? 17.155 -17.945 1.598 1.00 95.28 15 A 1 ATOM 130 C CG . LYS A 1 15 ? 18.030 -17.592 2.808 1.00 88.00 15 A 1 ATOM 131 C CD . LYS A 1 15 ? 17.467 -18.257 4.071 1.00 85.26 15 A 1 ATOM 132 C CE . LYS A 1 15 ? 18.280 -17.845 5.298 1.00 76.65 15 A 1 ATOM 133 N NZ . LYS A 1 15 ? 17.658 -18.359 6.545 1.00 69.08 15 A 1 ATOM 134 N N . GLY A 1 16 ? 15.956 -17.116 -1.520 1.00 95.98 16 A 1 ATOM 135 C CA . GLY A 1 16 ? 15.287 -17.576 -2.738 1.00 95.53 16 A 1 ATOM 136 C C . GLY A 1 16 ? 13.980 -18.328 -2.509 1.00 95.76 16 A 1 ATOM 137 O O . GLY A 1 16 ? 13.389 -18.774 -3.488 1.00 93.92 16 A 1 ATOM 138 N N . ASP A 1 17 ? 13.491 -18.405 -1.282 1.00 95.46 17 A 1 ATOM 139 C CA . ASP A 1 17 ? 12.313 -19.196 -0.896 1.00 94.70 17 A 1 ATOM 140 C C . ASP A 1 17 ? 11.048 -18.818 -1.696 1.00 94.63 17 A 1 ATOM 141 O O . ASP A 1 17 ? 10.185 -19.655 -1.919 1.00 92.79 17 A 1 ATOM 142 C CB . ASP A 1 17 ? 12.023 -19.005 0.603 1.00 93.59 17 A 1 ATOM 143 C CG . ASP A 1 17 ? 13.090 -19.526 1.574 1.00 91.78 17 A 1 ATOM 144 O OD1 . ASP A 1 17 ? 14.224 -19.839 1.138 1.00 88.65 17 A 1 ATOM 145 O OD2 . ASP A 1 17 ? 12.785 -19.535 2.790 1.00 88.85 17 A 1 ATOM 146 N N . PHE A 1 18 ? 10.946 -17.569 -2.175 1.00 94.85 18 A 1 ATOM 147 C CA . PHE A 1 18 ? 9.754 -17.038 -2.851 1.00 94.29 18 A 1 ATOM 148 C C . PHE A 1 18 ? 9.945 -16.785 -4.356 1.00 94.35 18 A 1 ATOM 149 O O . PHE A 1 18 ? 9.151 -16.078 -4.982 1.00 91.89 18 A 1 ATOM 150 C CB . PHE A 1 18 ? 9.277 -15.790 -2.099 1.00 93.40 18 A 1 ATOM 151 C CG . PHE A 1 18 ? 9.074 -15.975 -0.608 1.00 94.35 18 A 1 ATOM 152 C CD1 . PHE A 1 18 ? 8.360 -17.083 -0.108 1.00 92.31 18 A 1 ATOM 153 C CD2 . PHE A 1 18 ? 9.600 -15.029 0.289 1.00 93.10 18 A 1 ATOM 154 C CE1 . PHE A 1 18 ? 8.166 -17.236 1.275 1.00 91.88 18 A 1 ATOM 155 C CE2 . PHE A 1 18 ? 9.399 -15.178 1.670 1.00 92.37 18 A 1 ATOM 156 C CZ . PHE A 1 18 ? 8.683 -16.279 2.163 1.00 92.88 18 A 1 ATOM 157 N N . LEU A 1 19 ? 10.996 -17.337 -4.967 1.00 93.82 19 A 1 ATOM 158 C CA . LEU A 1 19 ? 11.300 -17.113 -6.387 1.00 92.96 19 A 1 ATOM 159 C C . LEU A 1 19 ? 10.547 -18.060 -7.333 1.00 93.55 19 A 1 ATOM 160 O O . LEU A 1 19 ? 10.452 -17.773 -8.532 1.00 92.15 19 A 1 ATOM 161 C CB . LEU A 1 19 ? 12.816 -17.201 -6.616 1.00 91.86 19 A 1 ATOM 162 C CG . LEU A 1 19 ? 13.660 -16.198 -5.808 1.00 88.87 19 A 1 ATOM 163 C CD1 . LEU A 1 19 ? 15.123 -16.335 -6.216 1.00 84.63 19 A 1 ATOM 164 C CD2 . LEU A 1 19 ? 13.238 -14.744 -6.030 1.00 84.23 19 A 1 ATOM 165 N N . ALA A 1 20 ? 10.017 -19.173 -6.822 1.00 93.65 20 A 1 ATOM 166 C CA . ALA A 1 20 ? 9.235 -20.113 -7.617 1.00 93.57 20 A 1 ATOM 167 C C . ALA A 1 20 ? 7.899 -19.492 -8.062 1.00 93.88 20 A 1 ATOM 168 O O . ALA A 1 20 ? 7.318 -18.633 -7.399 1.00 93.31 20 A 1 ATOM 169 C CB . ALA A 1 20 ? 9.059 -21.419 -6.846 1.00 92.97 20 A 1 ATOM 170 N N . LYS A 1 21 ? 7.428 -19.902 -9.246 1.00 93.04 21 A 1 ATOM 171 C CA . LYS A 1 21 ? 6.238 -19.330 -9.900 1.00 92.71 21 A 1 ATOM 172 C C . LYS A 1 21 ? 4.951 -20.095 -9.607 1.00 93.22 21 A 1 ATOM 173 O O . LYS A 1 21 ? 3.916 -19.766 -10.193 1.00 90.93 21 A 1 ATOM 174 C CB . LYS A 1 21 ? 6.467 -19.230 -11.413 1.00 91.36 21 A 1 ATOM 175 C CG . LYS A 1 21 ? 7.612 -18.283 -11.773 1.00 90.93 21 A 1 ATOM 176 C CD . LYS A 1 21 ? 7.735 -18.187 -13.297 1.00 86.70 21 A 1 ATOM 177 C CE . LYS A 1 21 ? 8.895 -17.261 -13.647 1.00 82.79 21 A 1 ATOM 178 N NZ . LYS A 1 21 ? 9.094 -17.202 -15.113 1.00 73.69 21 A 1 ATOM 179 N N . ASP A 1 22 ? 5.018 -21.138 -8.805 1.00 93.63 22 A 1 ATOM 180 C CA . ASP A 1 22 ? 3.848 -21.905 -8.409 1.00 92.93 22 A 1 ATOM 181 C C . ASP A 1 22 ? 2.995 -21.123 -7.406 1.00 93.85 22 A 1 ATOM 182 O O . ASP A 1 22 ? 3.467 -20.229 -6.695 1.00 93.14 22 A 1 ATOM 183 C CB . ASP A 1 22 ? 4.259 -23.281 -7.870 1.00 91.38 22 A 1 ATOM 184 C CG . ASP A 1 22 ? 5.029 -23.111 -6.579 1.00 91.20 22 A 1 ATOM 185 O OD1 . ASP A 1 22 ? 4.375 -23.114 -5.518 1.00 84.99 22 A 1 ATOM 186 O OD2 . ASP A 1 22 ? 6.249 -22.841 -6.663 1.00 86.41 22 A 1 ATOM 187 N N . ARG A 1 23 ? 1.718 -21.452 -7.394 1.00 93.72 23 A 1 ATOM 188 C CA . ARG A 1 23 ? 0.716 -20.772 -6.576 1.00 93.23 23 A 1 ATOM 189 C C . ARG A 1 23 ? 0.995 -20.897 -5.078 1.00 93.70 23 A 1 ATOM 190 O O . ARG A 1 23 ? 0.835 -19.917 -4.361 1.00 92.94 23 A 1 ATOM 191 C CB . ARG A 1 23 ? -0.657 -21.341 -6.957 1.00 91.78 23 A 1 ATOM 192 C CG . ARG A 1 23 ? -1.798 -20.617 -6.253 1.00 88.99 23 A 1 ATOM 193 C CD . ARG A 1 23 ? -3.137 -21.209 -6.674 1.00 87.20 23 A 1 ATOM 194 N NE . ARG A 1 23 ? -4.254 -20.502 -6.039 1.00 82.25 23 A 1 ATOM 195 C CZ . ARG A 1 23 ? -4.940 -19.495 -6.557 1.00 79.22 23 A 1 ATOM 196 N NH1 . ARG A 1 23 ? -4.708 -19.032 -7.754 1.00 72.14 23 A 1 ATOM 197 N NH2 . ARG A 1 23 ? -5.894 -18.935 -5.863 1.00 70.33 23 A 1 ATOM 198 N N . GLU A 1 24 ? 1.405 -22.070 -4.623 1.00 92.47 24 A 1 ATOM 199 C CA . GLU A 1 24 ? 1.620 -22.357 -3.200 1.00 92.27 24 A 1 ATOM 200 C C . GLU A 1 24 ? 2.743 -21.487 -2.633 1.00 92.91 24 A 1 ATOM 201 O O . GLU A 1 24 ? 2.532 -20.774 -1.654 1.00 92.38 24 A 1 ATOM 202 C CB . GLU A 1 24 ? 1.922 -23.851 -3.001 1.00 92.01 24 A 1 ATOM 203 C CG . GLU A 1 24 ? 0.697 -24.724 -3.321 1.00 82.81 24 A 1 ATOM 204 C CD . GLU A 1 24 ? 0.954 -26.237 -3.201 1.00 73.36 24 A 1 ATOM 205 O OE1 . GLU A 1 24 ? -0.016 -26.991 -3.444 1.00 64.38 24 A 1 ATOM 206 O OE2 . GLU A 1 24 ? 2.099 -26.637 -2.903 1.00 65.39 24 A 1 ATOM 207 N N . THR A 1 25 ? 3.881 -21.420 -3.333 1.00 93.60 25 A 1 ATOM 208 C CA . THR A 1 25 ? 4.999 -20.538 -2.967 1.00 93.77 25 A 1 ATOM 209 C C . THR A 1 25 ? 4.572 -19.067 -2.911 1.00 94.27 25 A 1 ATOM 210 O O . THR A 1 25 ? 4.989 -18.321 -2.022 1.00 93.33 25 A 1 ATOM 211 C CB . THR A 1 25 ? 6.146 -20.690 -3.976 1.00 93.35 25 A 1 ATOM 212 O OG1 . THR A 1 25 ? 6.662 -21.999 -3.975 1.00 89.97 25 A 1 ATOM 213 C CG2 . THR A 1 25 ? 7.334 -19.777 -3.663 1.00 89.28 25 A 1 ATOM 214 N N . GLN A 1 26 ? 3.736 -18.611 -3.851 1.00 93.93 26 A 1 ATOM 215 C CA . GLN A 1 26 ? 3.309 -17.209 -3.876 1.00 93.92 26 A 1 ATOM 216 C C . GLN A 1 26 ? 2.284 -16.874 -2.780 1.00 94.06 26 A 1 ATOM 217 O O . GLN A 1 26 ? 2.315 -15.766 -2.247 1.00 93.50 26 A 1 ATOM 218 C CB . GLN A 1 26 ? 2.801 -16.839 -5.273 1.00 93.92 26 A 1 ATOM 219 C CG . GLN A 1 26 ? 3.901 -16.900 -6.355 1.00 92.79 26 A 1 ATOM 220 C CD . GLN A 1 26 ? 5.131 -16.075 -6.007 1.00 93.55 26 A 1 ATOM 221 O OE1 . GLN A 1 26 ? 5.059 -14.879 -5.771 1.00 86.14 26 A 1 ATOM 222 N NE2 . GLN A 1 26 ? 6.299 -16.677 -5.943 1.00 85.80 26 A 1 ATOM 223 N N . ILE A 1 27 ? 1.427 -17.820 -2.408 1.00 94.07 27 A 1 ATOM 224 C CA . ILE A 1 27 ? 0.560 -17.684 -1.226 1.00 93.47 27 A 1 ATOM 225 C C . ILE A 1 27 ? 1.415 -17.622 0.043 1.00 93.63 27 A 1 ATOM 226 O O . ILE A 1 27 ? 1.210 -16.738 0.874 1.00 92.93 27 A 1 ATOM 227 C CB . ILE A 1 27 ? -0.477 -18.829 -1.174 1.00 92.66 27 A 1 ATOM 228 C CG1 . ILE A 1 27 ? -1.519 -18.646 -2.304 1.00 91.21 27 A 1 ATOM 229 C CG2 . ILE A 1 27 ? -1.189 -18.887 0.192 1.00 90.87 27 A 1 ATOM 230 C CD1 . ILE A 1 27 ? -2.420 -19.869 -2.526 1.00 87.08 27 A 1 ATOM 231 N N . GLU A 1 28 ? 2.403 -18.500 0.165 1.00 93.39 28 A 1 ATOM 232 C CA . GLU A 1 28 ? 3.327 -18.502 1.303 1.00 93.36 28 A 1 ATOM 233 C C . GLU A 1 28 ? 4.129 -17.195 1.404 1.00 93.62 28 A 1 ATOM 234 O O . GLU A 1 28 ? 4.322 -16.665 2.500 1.00 92.45 28 A 1 ATOM 235 C CB . GLU A 1 28 ? 4.267 -19.708 1.192 1.00 92.95 28 A 1 ATOM 236 C CG . GLU A 1 28 ? 5.044 -19.884 2.500 1.00 88.97 28 A 1 ATOM 237 C CD . GLU A 1 28 ? 6.118 -20.970 2.452 1.00 87.40 28 A 1 ATOM 238 O OE1 . GLU A 1 28 ? 6.810 -21.088 3.495 1.00 78.07 28 A 1 ATOM 239 O OE2 . GLU A 1 28 ? 6.333 -21.599 1.398 1.00 80.93 28 A 1 ATOM 240 N N . ALA A 1 29 ? 4.513 -16.611 0.264 1.00 93.32 29 A 1 ATOM 241 C CA . ALA A 1 29 ? 5.155 -15.298 0.214 1.00 92.96 29 A 1 ATOM 242 C C . ALA A 1 29 ? 4.256 -14.161 0.740 1.00 93.69 29 A 1 ATOM 243 O O . ALA A 1 29 ? 4.763 -13.111 1.120 1.00 92.58 29 A 1 ATOM 244 C CB . ALA A 1 29 ? 5.593 -15.017 -1.230 1.00 92.49 29 A 1 ATOM 245 N N . GLY A 1 30 ? 2.931 -14.351 0.741 1.00 94.13 30 A 1 ATOM 246 C CA . GLY A 1 30 ? 1.969 -13.372 1.243 1.00 94.09 30 A 1 ATOM 247 C C . GLY A 1 30 ? 1.031 -12.787 0.185 1.00 94.79 30 A 1 ATOM 248 O O . GLY A 1 30 ? 0.323 -11.830 0.487 1.00 93.58 30 A 1 ATOM 249 N N . TRP A 1 31 ? 0.994 -13.338 -1.042 1.00 94.21 31 A 1 ATOM 250 C CA . TRP A 1 31 ? -0.053 -12.973 -1.993 1.00 94.16 31 A 1 ATOM 251 C C . TRP A 1 31 ? -1.408 -13.466 -1.478 1.00 93.60 31 A 1 ATOM 252 O O . TRP A 1 31 ? -1.602 -14.660 -1.263 1.00 91.26 31 A 1 ATOM 253 C CB . TRP A 1 31 ? 0.251 -13.522 -3.386 1.00 94.14 31 A 1 ATOM 254 C CG . TRP A 1 31 ? 1.320 -12.772 -4.126 1.00 94.29 31 A 1 ATOM 255 C CD1 . TRP A 1 31 ? 2.604 -13.162 -4.267 1.00 92.46 31 A 1 ATOM 256 C CD2 . TRP A 1 31 ? 1.210 -11.488 -4.813 1.00 94.60 31 A 1 ATOM 257 N NE1 . TRP A 1 31 ? 3.301 -12.217 -4.993 1.00 93.08 31 A 1 ATOM 258 C CE2 . TRP A 1 31 ? 2.490 -11.163 -5.354 1.00 94.21 31 A 1 ATOM 259 C CE3 . TRP A 1 31 ? 0.165 -10.568 -5.025 1.00 94.07 31 A 1 ATOM 260 C CZ2 . TRP A 1 31 ? 2.725 -9.981 -6.072 1.00 93.93 31 A 1 ATOM 261 C CZ3 . TRP A 1 31 ? 0.391 -9.377 -5.749 1.00 93.12 31 A 1 ATOM 262 C CH2 . TRP A 1 31 ? 1.665 -9.082 -6.269 1.00 92.86 31 A 1 ATOM 263 N N . TYR A 1 32 ? -2.338 -12.536 -1.299 1.00 90.99 32 A 1 ATOM 264 C CA . TYR A 1 32 ? -3.650 -12.827 -0.717 1.00 88.34 32 A 1 ATOM 265 C C . TYR A 1 32 ? -4.790 -12.752 -1.742 1.00 85.29 32 A 1 ATOM 266 O O . TYR A 1 32 ? -5.706 -13.567 -1.721 1.00 75.79 32 A 1 ATOM 267 C CB . TYR A 1 32 ? -3.886 -11.844 0.437 1.00 85.69 32 A 1 ATOM 268 C CG . TYR A 1 32 ? -5.219 -12.044 1.123 1.00 82.76 32 A 1 ATOM 269 C CD1 . TYR A 1 32 ? -6.311 -11.206 0.819 1.00 76.05 32 A 1 ATOM 270 C CD2 . TYR A 1 32 ? -5.382 -13.107 2.034 1.00 75.04 32 A 1 ATOM 271 C CE1 . TYR A 1 32 ? -7.561 -11.424 1.430 1.00 68.95 32 A 1 ATOM 272 C CE2 . TYR A 1 32 ? -6.631 -13.330 2.646 1.00 69.50 32 A 1 ATOM 273 C CZ . TYR A 1 32 ? -7.721 -12.485 2.344 1.00 68.79 32 A 1 ATOM 274 O OH . TYR A 1 32 ? -8.933 -12.699 2.933 1.00 69.14 32 A 1 ATOM 275 N N . ASP A 1 33 ? -4.734 -11.775 -2.656 1.00 88.33 33 A 1 ATOM 276 C CA . ASP A 1 33 ? -5.779 -11.530 -3.652 1.00 87.40 33 A 1 ATOM 277 C C . ASP A 1 33 ? -5.150 -10.961 -4.931 1.00 87.89 33 A 1 ATOM 278 O O . ASP A 1 33 ? -4.346 -10.022 -4.865 1.00 83.71 33 A 1 ATOM 279 C CB . ASP A 1 33 ? -6.810 -10.568 -3.043 1.00 82.39 33 A 1 ATOM 280 C CG . ASP A 1 33 ? -7.978 -10.229 -3.967 1.00 77.75 33 A 1 ATOM 281 O OD1 . ASP A 1 33 ? -8.268 -11.033 -4.874 1.00 73.24 33 A 1 ATOM 282 O OD2 . ASP A 1 33 ? -8.545 -9.124 -3.754 1.00 71.95 33 A 1 ATOM 283 N N . TRP A 1 34 ? -5.492 -11.553 -6.090 1.00 87.18 34 A 1 ATOM 284 C CA . TRP A 1 34 ? -4.916 -11.153 -7.373 1.00 88.18 34 A 1 ATOM 285 C C . TRP A 1 34 ? -5.804 -11.517 -8.560 1.00 86.68 34 A 1 ATOM 286 O O . TRP A 1 34 ? -6.561 -12.479 -8.531 1.00 81.70 34 A 1 ATOM 287 C CB . TRP A 1 34 ? -3.526 -11.765 -7.544 1.00 88.10 34 A 1 ATOM 288 C CG . TRP A 1 34 ? -3.479 -13.263 -7.618 1.00 89.28 34 A 1 ATOM 289 C CD1 . TRP A 1 34 ? -3.497 -13.994 -8.757 1.00 87.20 34 A 1 ATOM 290 C CD2 . TRP A 1 34 ? -3.382 -14.224 -6.525 1.00 90.98 34 A 1 ATOM 291 N NE1 . TRP A 1 34 ? -3.407 -15.339 -8.441 1.00 86.49 34 A 1 ATOM 292 C CE2 . TRP A 1 34 ? -3.319 -15.534 -7.080 1.00 89.86 34 A 1 ATOM 293 C CE3 . TRP A 1 34 ? -3.317 -14.115 -5.122 1.00 87.52 34 A 1 ATOM 294 C CZ2 . TRP A 1 34 ? -3.187 -16.683 -6.285 1.00 88.12 34 A 1 ATOM 295 C CZ3 . TRP A 1 34 ? -3.194 -15.258 -4.308 1.00 85.42 34 A 1 ATOM 296 C CH2 . TRP A 1 34 ? -3.125 -16.537 -4.885 1.00 84.61 34 A 1 ATOM 297 N N . PHE A 1 35 ? -5.638 -10.764 -9.648 1.00 88.06 35 A 1 ATOM 298 C CA . PHE A 1 35 ? -6.370 -10.897 -10.911 1.00 85.69 35 A 1 ATOM 299 C C . PHE A 1 35 ? -5.456 -11.211 -12.103 1.00 86.26 35 A 1 ATOM 300 O O . PHE A 1 35 ? -5.929 -11.375 -13.228 1.00 82.10 35 A 1 ATOM 301 C CB . PHE A 1 35 ? -7.177 -9.618 -11.148 1.00 82.99 35 A 1 ATOM 302 C CG . PHE A 1 35 ? -8.250 -9.370 -10.107 1.00 80.00 35 A 1 ATOM 303 C CD1 . PHE A 1 35 ? -9.565 -9.823 -10.336 1.00 74.31 35 A 1 ATOM 304 C CD2 . PHE A 1 35 ? -7.941 -8.715 -8.902 1.00 75.11 35 A 1 ATOM 305 C CE1 . PHE A 1 35 ? -10.560 -9.611 -9.370 1.00 70.44 35 A 1 ATOM 306 C CE2 . PHE A 1 35 ? -8.935 -8.511 -7.928 1.00 70.17 35 A 1 ATOM 307 C CZ . PHE A 1 35 ? -10.244 -8.957 -8.166 1.00 71.64 35 A 1 ATOM 308 N N . CYS A 1 36 ? -4.138 -11.266 -11.899 1.00 85.63 36 A 1 ATOM 309 C CA . CYS A 1 36 ? -3.175 -11.695 -12.907 1.00 85.55 36 A 1 ATOM 310 C C . CYS A 1 36 ? -3.005 -13.225 -12.912 1.00 86.19 36 A 1 ATOM 311 O O . CYS A 1 36 ? -3.450 -13.914 -12.002 1.00 85.98 36 A 1 ATOM 312 C CB . CYS A 1 36 ? -1.851 -10.952 -12.695 1.00 84.89 36 A 1 ATOM 313 S SG . CYS A 1 36 ? -1.028 -11.436 -11.142 1.00 86.79 36 A 1 ATOM 314 N N . ASP A 1 37 ? -2.319 -13.756 -13.932 1.00 88.64 37 A 1 ATOM 315 C CA . ASP A 1 37 ? -1.897 -15.165 -13.954 1.00 89.46 37 A 1 ATOM 316 C C . ASP A 1 37 ? -0.945 -15.473 -12.778 1.00 90.62 37 A 1 ATOM 317 O O . ASP A 1 37 ? -0.048 -14.670 -12.485 1.00 89.39 37 A 1 ATOM 318 C CB . ASP A 1 37 ? -1.236 -15.461 -15.308 1.00 86.46 37 A 1 ATOM 319 C CG . ASP A 1 37 ? -0.904 -16.941 -15.510 1.00 81.10 37 A 1 ATOM 320 O OD1 . ASP A 1 37 ? 0.133 -17.384 -14.974 1.00 74.48 37 A 1 ATOM 321 O OD2 . ASP A 1 37 ? -1.657 -17.619 -16.236 1.00 73.04 37 A 1 ATOM 322 N N . ASP A 1 38 ? -1.091 -16.643 -12.156 1.00 91.15 38 A 1 ATOM 323 C CA . ASP A 1 38 ? -0.268 -17.086 -11.018 1.00 91.42 38 A 1 ATOM 324 C C . ASP A 1 38 ? 1.238 -16.995 -11.328 1.00 92.51 38 A 1 ATOM 325 O O . ASP A 1 38 ? 2.035 -16.515 -10.521 1.00 91.43 38 A 1 ATOM 326 C CB . ASP A 1 38 ? -0.641 -18.537 -10.635 1.00 89.58 38 A 1 ATOM 327 C CG . ASP A 1 38 ? -2.003 -18.703 -9.943 1.00 88.40 38 A 1 ATOM 328 O OD1 . ASP A 1 38 ? -2.657 -17.693 -9.598 1.00 83.48 38 A 1 ATOM 329 O OD2 . ASP A 1 38 ? -2.416 -19.860 -9.702 1.00 83.93 38 A 1 ATOM 330 N N . LYS A 1 39 ? 1.642 -17.350 -12.556 1.00 92.00 39 A 1 ATOM 331 C CA . LYS A 1 39 ? 3.049 -17.323 -12.997 1.00 91.83 39 A 1 ATOM 332 C C . LYS A 1 39 ? 3.655 -15.916 -13.043 1.00 93.26 39 A 1 ATOM 333 O O . LYS A 1 39 ? 4.885 -15.782 -13.110 1.00 91.60 39 A 1 ATOM 334 C CB . LYS A 1 39 ? 3.161 -17.971 -14.381 1.00 90.22 39 A 1 ATOM 335 C CG . LYS A 1 39 ? 2.752 -19.450 -14.373 1.00 85.42 39 A 1 ATOM 336 C CD . LYS A 1 39 ? 2.782 -20.017 -15.794 1.00 79.11 39 A 1 ATOM 337 C CE . LYS A 1 39 ? 2.306 -21.467 -15.755 1.00 72.30 39 A 1 ATOM 338 N NZ . LYS A 1 39 ? 2.107 -22.015 -17.115 1.00 62.52 39 A 1 ATOM 339 N N . ALA A 1 40 ? 2.816 -14.874 -13.045 1.00 92.78 40 A 1 ATOM 340 C CA . ALA A 1 40 ? 3.257 -13.484 -13.030 1.00 92.66 40 A 1 ATOM 341 C C . ALA A 1 40 ? 3.619 -12.989 -11.620 1.00 93.80 40 A 1 ATOM 342 O O . ALA A 1 40 ? 4.381 -12.023 -11.505 1.00 93.18 40 A 1 ATOM 343 C CB . ALA A 1 40 ? 2.176 -12.612 -13.682 1.00 91.48 40 A 1 ATOM 344 N N . LEU A 1 41 ? 3.119 -13.640 -10.567 1.00 93.59 41 A 1 ATOM 345 C CA . LEU A 1 41 ? 3.242 -13.179 -9.180 1.00 93.91 41 A 1 ATOM 346 C C . LEU A 1 41 ? 4.701 -13.066 -8.718 1.00 94.63 41 A 1 ATOM 347 O O . LEU A 1 41 ? 5.084 -12.022 -8.191 1.00 94.80 41 A 1 ATOM 348 C CB . LEU A 1 41 ? 2.450 -14.110 -8.249 1.00 93.51 41 A 1 ATOM 349 C CG . LEU A 1 41 ? 0.925 -14.108 -8.465 1.00 92.40 41 A 1 ATOM 350 C CD1 . LEU A 1 41 ? 0.289 -15.161 -7.564 1.00 90.36 41 A 1 ATOM 351 C CD2 . LEU A 1 41 ? 0.298 -12.750 -8.150 1.00 90.21 41 A 1 ATOM 352 N N . ALA A 1 42 ? 5.547 -14.054 -9.006 1.00 94.06 42 A 1 ATOM 353 C CA . ALA A 1 42 ? 6.972 -13.985 -8.654 1.00 94.10 42 A 1 ATOM 354 C C . ALA A 1 42 ? 7.682 -12.770 -9.286 1.00 94.63 42 A 1 ATOM 355 O O . ALA A 1 42 ? 8.489 -12.091 -8.651 1.00 94.21 42 A 1 ATOM 356 C CB . ALA A 1 42 ? 7.634 -15.301 -9.089 1.00 93.39 42 A 1 ATOM 357 N N . GLY A 1 43 ? 7.354 -12.449 -10.546 1.00 94.85 43 A 1 ATOM 358 C CA . GLY A 1 43 ? 7.898 -11.269 -11.234 1.00 94.49 43 A 1 ATOM 359 C C . GLY A 1 43 ? 7.381 -9.941 -10.666 1.00 95.12 43 A 1 ATOM 360 O O . GLY A 1 43 ? 8.120 -8.954 -10.628 1.00 94.58 43 A 1 ATOM 361 N N . ARG A 1 44 ? 6.136 -9.908 -10.194 1.00 95.21 44 A 1 ATOM 362 C CA . ARG A 1 44 ? 5.545 -8.762 -9.486 1.00 95.21 44 A 1 ATOM 363 C C . ARG A 1 44 ? 6.170 -8.591 -8.102 1.00 95.86 44 A 1 ATOM 364 O O . ARG A 1 44 ? 6.594 -7.483 -7.761 1.00 95.70 44 A 1 ATOM 365 C CB . ARG A 1 44 ? 4.022 -8.940 -9.393 1.00 94.85 44 A 1 ATOM 366 C CG . ARG A 1 44 ? 3.350 -8.821 -10.771 1.00 93.17 44 A 1 ATOM 367 C CD . ARG A 1 44 ? 1.854 -9.131 -10.662 1.00 91.66 44 A 1 ATOM 368 N NE . ARG A 1 44 ? 1.166 -8.920 -11.941 1.00 87.49 44 A 1 ATOM 369 C CZ . ARG A 1 44 ? 0.746 -7.765 -12.424 1.00 87.15 44 A 1 ATOM 370 N NH1 . ARG A 1 44 ? 0.922 -6.629 -11.807 1.00 78.27 44 A 1 ATOM 371 N NH2 . ARG A 1 44 ? 0.113 -7.732 -13.563 1.00 79.24 44 A 1 ATOM 372 N N . LEU A 1 45 ? 6.346 -9.688 -7.375 1.00 95.80 45 A 1 ATOM 373 C CA . LEU A 1 45 ? 7.023 -9.688 -6.079 1.00 95.85 45 A 1 ATOM 374 C C . LEU A 1 45 ? 8.459 -9.164 -6.189 1.00 96.17 45 A 1 ATOM 375 O O . LEU A 1 45 ? 8.891 -8.376 -5.352 1.00 96.13 45 A 1 ATOM 376 C CB . LEU A 1 45 ? 6.971 -11.104 -5.486 1.00 95.50 45 A 1 ATOM 377 C CG . LEU A 1 45 ? 7.526 -11.193 -4.055 1.00 94.54 45 A 1 ATOM 378 C CD1 . LEU A 1 45 ? 6.785 -10.271 -3.087 1.00 92.93 45 A 1 ATOM 379 C CD2 . LEU A 1 45 ? 7.399 -12.622 -3.540 1.00 92.74 45 A 1 ATOM 380 N N . ALA A 1 46 ? 9.176 -9.495 -7.262 1.00 96.04 46 A 1 ATOM 381 C CA . ALA A 1 46 ? 10.516 -8.952 -7.516 1.00 95.81 46 A 1 ATOM 382 C C . ALA A 1 46 ? 10.533 -7.414 -7.681 1.00 96.02 46 A 1 ATOM 383 O O . ALA A 1 46 ? 11.512 -6.757 -7.312 1.00 95.34 46 A 1 ATOM 384 C CB . ALA A 1 46 ? 11.099 -9.655 -8.748 1.00 95.19 46 A 1 ATOM 385 N N . LYS A 1 47 ? 9.454 -6.814 -8.206 1.00 95.41 47 A 1 ATOM 386 C CA . LYS A 1 47 ? 9.310 -5.345 -8.255 1.00 94.93 47 A 1 ATOM 387 C C . LYS A 1 47 ? 9.039 -4.764 -6.866 1.00 95.87 47 A 1 ATOM 388 O O . LYS A 1 47 ? 9.684 -3.787 -6.488 1.00 95.60 47 A 1 ATOM 389 C CB . LYS A 1 47 ? 8.202 -4.930 -9.232 1.00 93.80 47 A 1 ATOM 390 C CG . LYS A 1 47 ? 8.493 -5.313 -10.689 1.00 86.83 47 A 1 ATOM 391 C CD . LYS A 1 47 ? 7.293 -4.917 -11.557 1.00 80.37 47 A 1 ATOM 392 C CE . LYS A 1 47 ? 7.504 -5.319 -13.016 1.00 72.34 47 A 1 ATOM 393 N NZ . LYS A 1 47 ? 6.312 -4.961 -13.830 1.00 63.16 47 A 1 ATOM 394 N N . ILE A 1 48 ? 8.142 -5.395 -6.100 1.00 96.64 48 A 1 ATOM 395 C CA . ILE A 1 48 ? 7.835 -5.013 -4.710 1.00 96.95 48 A 1 ATOM 396 C C . ILE A 1 48 ? 9.086 -5.134 -3.829 1.00 97.41 48 A 1 ATOM 397 O O . ILE A 1 48 ? 9.376 -4.245 -3.028 1.00 97.28 48 A 1 ATOM 398 C CB . ILE A 1 48 ? 6.670 -5.871 -4.165 1.00 96.58 48 A 1 ATOM 399 C CG1 . ILE A 1 48 ? 5.372 -5.609 -4.969 1.00 95.78 48 A 1 ATOM 400 C CG2 . ILE A 1 48 ? 6.437 -5.570 -2.674 1.00 95.84 48 A 1 ATOM 401 C CD1 . ILE A 1 48 ? 4.218 -6.566 -4.638 1.00 93.67 48 A 1 ATOM 402 N N . TRP A 1 49 ? 9.897 -6.167 -4.051 1.00 97.26 49 A 1 ATOM 403 C CA . TRP A 1 49 ? 11.189 -6.332 -3.384 1.00 97.27 49 A 1 ATOM 404 C C . TRP A 1 49 ? 12.107 -5.125 -3.562 1.00 97.42 49 A 1 ATOM 405 O O . TRP A 1 49 ? 12.889 -4.792 -2.670 1.00 97.01 49 A 1 ATOM 406 C CB . TRP A 1 49 ? 11.881 -7.591 -3.909 1.00 97.01 49 A 1 ATOM 407 C CG . TRP A 1 49 ? 13.214 -7.845 -3.280 1.00 97.09 49 A 1 ATOM 408 C CD1 . TRP A 1 49 ? 14.407 -7.906 -3.918 1.00 95.68 49 A 1 ATOM 409 C CD2 . TRP A 1 49 ? 13.509 -8.039 -1.863 1.00 96.74 49 A 1 ATOM 410 N NE1 . TRP A 1 49 ? 15.413 -8.138 -3.005 1.00 95.33 49 A 1 ATOM 411 C CE2 . TRP A 1 49 ? 14.917 -8.225 -1.718 1.00 96.28 49 A 1 ATOM 412 C CE3 . TRP A 1 49 ? 12.731 -8.074 -0.685 1.00 95.69 49 A 1 ATOM 413 C CZ2 . TRP A 1 49 ? 15.515 -8.437 -0.470 1.00 95.38 49 A 1 ATOM 414 C CZ3 . TRP A 1 49 ? 13.325 -8.287 0.570 1.00 94.55 49 A 1 ATOM 415 C CH2 . TRP A 1 49 ? 14.711 -8.467 0.678 1.00 94.20 49 A 1 ATOM 416 N N . GLY A 1 50 ? 11.978 -4.398 -4.677 1.00 96.76 50 A 1 ATOM 417 C CA . GLY A 1 50 ? 12.641 -3.116 -4.881 1.00 96.50 50 A 1 ATOM 418 C C . GLY A 1 50 ? 12.350 -2.088 -3.779 1.00 97.28 50 A 1 ATOM 419 O O . GLY A 1 50 ? 13.235 -1.280 -3.502 1.00 96.44 50 A 1 ATOM 420 N N . ILE A 1 51 ? 11.185 -2.129 -3.136 1.00 97.31 51 A 1 ATOM 421 C CA . ILE A 1 51 ? 10.859 -1.313 -1.951 1.00 97.65 51 A 1 ATOM 422 C C . ILE A 1 51 ? 11.440 -1.981 -0.698 1.00 97.89 51 A 1 ATOM 423 O O . ILE A 1 51 ? 12.296 -1.391 -0.035 1.00 97.54 51 A 1 ATOM 424 C CB . ILE A 1 51 ? 9.331 -1.072 -1.848 1.00 97.52 51 A 1 ATOM 425 C CG1 . ILE A 1 51 ? 8.817 -0.301 -3.090 1.00 96.73 51 A 1 ATOM 426 C CG2 . ILE A 1 51 ? 8.987 -0.307 -0.557 1.00 96.78 51 A 1 ATOM 427 C CD1 . ILE A 1 51 ? 7.287 -0.302 -3.218 1.00 95.36 51 A 1 ATOM 428 N N . LEU A 1 52 ? 11.054 -3.230 -0.446 1.00 98.09 52 A 1 ATOM 429 C CA . LEU A 1 52 ? 11.305 -3.942 0.812 1.00 98.11 52 A 1 ATOM 430 C C . LEU A 1 52 ? 12.797 -4.109 1.142 1.00 98.16 52 A 1 ATOM 431 O O . LEU A 1 52 ? 13.193 -3.941 2.286 1.00 97.83 52 A 1 ATOM 432 C CB . LEU A 1 52 ? 10.611 -5.314 0.770 1.00 97.93 52 A 1 ATOM 433 C CG . LEU A 1 52 ? 9.081 -5.283 0.558 1.00 97.20 52 A 1 ATOM 434 C CD1 . LEU A 1 52 ? 8.543 -6.711 0.588 1.00 96.47 52 A 1 ATOM 435 C CD2 . LEU A 1 52 ? 8.353 -4.463 1.612 1.00 96.31 52 A 1 ATOM 436 N N . LYS A 1 53 ? 13.648 -4.355 0.138 1.00 97.26 53 A 1 ATOM 437 C CA . LYS A 1 53 ? 15.101 -4.539 0.355 1.00 96.58 53 A 1 ATOM 438 C C . LYS A 1 53 ? 15.834 -3.317 0.910 1.00 96.22 53 A 1 ATOM 439 O O . LYS A 1 53 ? 17.002 -3.437 1.269 1.00 93.81 53 A 1 ATOM 440 C CB . LYS A 1 53 ? 15.772 -5.012 -0.942 1.00 95.51 53 A 1 ATOM 441 C CG . LYS A 1 53 ? 15.962 -3.890 -1.980 1.00 95.60 53 A 1 ATOM 442 C CD . LYS A 1 53 ? 16.559 -4.451 -3.272 1.00 93.77 53 A 1 ATOM 443 C CE . LYS A 1 53 ? 16.773 -3.337 -4.292 1.00 88.87 53 A 1 ATOM 444 N NZ . LYS A 1 53 ? 17.338 -3.881 -5.553 1.00 83.17 53 A 1 ATOM 445 N N . GLY A 1 54 ? 15.204 -2.154 0.863 1.00 95.69 54 A 1 ATOM 446 C CA . GLY A 1 54 ? 15.754 -0.886 1.346 1.00 94.97 54 A 1 ATOM 447 C C . GLY A 1 54 ? 15.186 -0.436 2.689 1.00 96.43 54 A 1 ATOM 448 O O . GLY A 1 54 ? 15.470 0.687 3.095 1.00 95.23 54 A 1 ATOM 449 N N . ILE A 1 55 ? 14.368 -1.263 3.325 1.00 97.73 55 A 1 ATOM 450 C CA . ILE A 1 55 ? 13.881 -1.012 4.681 1.00 97.96 55 A 1 ATOM 451 C C . ILE A 1 55 ? 14.988 -1.401 5.664 1.00 98.08 55 A 1 ATOM 452 O O . ILE A 1 55 ? 15.552 -2.492 5.579 1.00 97.84 55 A 1 ATOM 453 C CB . ILE A 1 55 ? 12.549 -1.741 4.936 1.00 97.93 55 A 1 ATOM 454 C CG1 . ILE A 1 55 ? 11.494 -1.256 3.908 1.00 96.68 55 A 1 ATOM 455 C CG2 . ILE A 1 55 ? 12.072 -1.481 6.377 1.00 97.08 55 A 1 ATOM 456 C CD1 . ILE A 1 55 ? 10.153 -1.985 3.991 1.00 93.13 55 A 1 ATOM 457 N N . THR A 1 56 ? 15.309 -0.464 6.548 1.00 98.24 56 A 1 ATOM 458 C CA . THR A 1 56 ? 16.374 -0.578 7.555 1.00 98.15 56 A 1 ATOM 459 C C . THR A 1 56 ? 15.891 -0.259 8.970 1.00 98.22 56 A 1 ATOM 460 O O . THR A 1 56 ? 16.640 -0.478 9.909 1.00 97.63 56 A 1 ATOM 461 C CB . THR A 1 56 ? 17.555 0.350 7.218 1.00 97.86 56 A 1 ATOM 462 O OG1 . THR A 1 56 ? 17.123 1.691 7.111 1.00 97.16 56 A 1 ATOM 463 C CG2 . THR A 1 56 ? 18.226 -0.012 5.893 1.00 96.35 56 A 1 ATOM 464 N N . SER A 1 57 ? 14.677 0.278 9.121 1.00 98.06 57 A 1 ATOM 465 C CA . SER A 1 57 ? 14.071 0.553 10.425 1.00 98.13 57 A 1 ATOM 466 C C . SER A 1 57 ? 13.777 -0.758 11.154 1.00 98.27 57 A 1 ATOM 467 O O . SER A 1 57 ? 12.989 -1.568 10.661 1.00 98.04 57 A 1 ATOM 468 C CB . SER A 1 57 ? 12.789 1.368 10.242 1.00 97.90 57 A 1 ATOM 469 O OG . SER A 1 57 ? 12.074 1.457 11.457 1.00 96.48 57 A 1 ATOM 470 N N . ASP A 1 58 ? 14.386 -0.947 12.319 1.00 98.19 58 A 1 ATOM 471 C CA . ASP A 1 58 ? 14.099 -2.102 13.178 1.00 98.02 58 A 1 ATOM 472 C C . ASP A 1 58 ? 12.635 -2.106 13.633 1.00 98.06 58 A 1 ATOM 473 O O . ASP A 1 58 ? 12.006 -3.161 13.640 1.00 97.37 58 A 1 ATOM 474 C CB . ASP A 1 58 ? 15.052 -2.113 14.385 1.00 97.61 58 A 1 ATOM 475 C CG . ASP A 1 58 ? 16.479 -2.499 13.988 1.00 96.70 58 A 1 ATOM 476 O OD1 . ASP A 1 58 ? 16.627 -3.461 13.192 1.00 93.54 58 A 1 ATOM 477 O OD2 . ASP A 1 58 ? 17.425 -1.848 14.483 1.00 93.48 58 A 1 ATOM 478 N N . TYR A 1 59 ? 12.064 -0.926 13.877 1.00 98.20 59 A 1 ATOM 479 C CA . TYR A 1 59 ? 10.645 -0.790 14.203 1.00 98.06 59 A 1 ATOM 480 C C . TYR A 1 59 ? 9.753 -1.428 13.129 1.00 98.19 59 A 1 ATOM 481 O O . TYR A 1 59 ? 8.891 -2.242 13.439 1.00 97.85 59 A 1 ATOM 482 C CB . TYR A 1 59 ? 10.299 0.692 14.396 1.00 97.77 59 A 1 ATOM 483 C CG . TYR A 1 59 ? 8.826 0.927 14.667 1.00 97.64 59 A 1 ATOM 484 C CD1 . TYR A 1 59 ? 7.980 1.408 13.644 1.00 96.50 59 A 1 ATOM 485 C CD2 . TYR A 1 59 ? 8.288 0.621 15.934 1.00 96.79 59 A 1 ATOM 486 C CE1 . TYR A 1 59 ? 6.604 1.584 13.889 1.00 95.93 59 A 1 ATOM 487 C CE2 . TYR A 1 59 ? 6.912 0.793 16.182 1.00 96.11 59 A 1 ATOM 488 C CZ . TYR A 1 59 ? 6.069 1.276 15.157 1.00 96.46 59 A 1 ATOM 489 O OH . TYR A 1 59 ? 4.737 1.437 15.395 1.00 95.13 59 A 1 ATOM 490 N N . ILE A 1 60 ? 9.987 -1.132 11.851 1.00 98.29 60 A 1 ATOM 491 C CA . ILE A 1 60 ? 9.215 -1.728 10.753 1.00 98.43 60 A 1 ATOM 492 C C . ILE A 1 60 ? 9.536 -3.216 10.583 1.00 98.44 60 A 1 ATOM 493 O O . ILE A 1 60 ? 8.638 -4.028 10.386 1.00 98.21 60 A 1 ATOM 494 C CB . ILE A 1 60 ? 9.443 -0.940 9.449 1.00 98.32 60 A 1 ATOM 495 C CG1 . ILE A 1 60 ? 8.907 0.508 9.548 1.00 97.03 60 A 1 ATOM 496 C CG2 . ILE A 1 60 ? 8.821 -1.632 8.229 1.00 97.76 60 A 1 ATOM 497 C CD1 . ILE A 1 60 ? 7.383 0.634 9.700 1.00 93.31 60 A 1 ATOM 498 N N . LEU A 1 61 ? 10.811 -3.584 10.639 1.00 98.22 61 A 1 ATOM 499 C CA . LEU A 1 61 ? 11.255 -4.954 10.385 1.00 98.23 61 A 1 ATOM 500 C C . LEU A 1 61 ? 10.719 -5.954 11.417 1.00 98.11 61 A 1 ATOM 501 O O . LEU A 1 61 ? 10.443 -7.095 11.046 1.00 97.75 61 A 1 ATOM 502 C CB . LEU A 1 61 ? 12.792 -4.978 10.329 1.00 98.24 61 A 1 ATOM 503 C CG . LEU A 1 61 ? 13.398 -4.337 9.065 1.00 97.84 61 A 1 ATOM 504 C CD1 . LEU A 1 61 ? 14.915 -4.193 9.230 1.00 97.31 61 A 1 ATOM 505 C CD2 . LEU A 1 61 ? 13.152 -5.182 7.813 1.00 97.29 61 A 1 ATOM 506 N N . ASP A 1 62 ? 10.571 -5.532 12.661 1.00 98.24 62 A 1 ATOM 507 C CA . ASP A 1 62 ? 10.250 -6.416 13.787 1.00 97.96 62 A 1 ATOM 508 C C . ASP A 1 62 ? 8.793 -6.328 14.252 1.00 97.75 62 A 1 ATOM 509 O O . ASP A 1 62 ? 8.299 -7.287 14.840 1.00 96.86 62 A 1 ATOM 510 C CB . ASP A 1 62 ? 11.235 -6.156 14.941 1.00 97.69 62 A 1 ATOM 511 C CG . ASP A 1 62 ? 12.678 -6.491 14.548 1.00 97.15 62 A 1 ATOM 512 O OD1 . ASP A 1 62 ? 12.887 -7.453 13.766 1.00 94.86 62 A 1 ATOM 513 O OD2 . ASP A 1 62 ? 13.626 -5.796 14.966 1.00 94.79 62 A 1 ATOM 514 N N . ASN A 1 63 ? 8.082 -5.234 13.935 1.00 98.04 63 A 1 ATOM 515 C CA . ASN A 1 63 ? 6.694 -5.038 14.386 1.00 97.75 63 A 1 ATOM 516 C C . ASN A 1 63 ? 5.645 -5.180 13.280 1.00 97.85 63 A 1 ATOM 517 O O . ASN A 1 63 ? 4.451 -5.121 13.563 1.00 97.37 63 A 1 ATOM 518 C CB . ASN A 1 63 ? 6.559 -3.699 15.123 1.00 97.39 63 A 1 ATOM 519 C CG . ASN A 1 63 ? 7.472 -3.629 16.328 1.00 96.31 63 A 1 ATOM 520 O OD1 . ASN A 1 63 ? 7.192 -4.169 17.383 1.00 89.08 63 A 1 ATOM 521 N ND2 . ASN A 1 63 ? 8.610 -2.990 16.202 1.00 88.38 63 A 1 ATOM 522 N N . TYR A 1 64 ? 6.066 -5.408 12.023 1.00 98.06 64 A 1 ATOM 523 C CA . TYR A 1 64 ? 5.150 -5.550 10.897 1.00 98.21 64 A 1 ATOM 524 C C . TYR A 1 64 ? 5.334 -6.879 10.174 1.00 98.23 64 A 1 ATOM 525 O O . TYR A 1 64 ? 6.444 -7.402 10.036 1.00 97.91 64 A 1 ATOM 526 C CB . TYR A 1 64 ? 5.285 -4.373 9.921 1.00 98.23 64 A 1 ATOM 527 C CG . TYR A 1 64 ? 4.755 -3.057 10.461 1.00 98.26 64 A 1 ATOM 528 C CD1 . TYR A 1 64 ? 3.509 -2.562 10.016 1.00 97.81 64 A 1 ATOM 529 C CD2 . TYR A 1 64 ? 5.493 -2.331 11.411 1.00 97.90 64 A 1 ATOM 530 C CE1 . TYR A 1 64 ? 3.006 -1.354 10.525 1.00 97.69 64 A 1 ATOM 531 C CE2 . TYR A 1 64 ? 4.988 -1.126 11.934 1.00 97.75 64 A 1 ATOM 532 C CZ . TYR A 1 64 ? 3.744 -0.637 11.489 1.00 97.95 64 A 1 ATOM 533 O OH . TYR A 1 64 ? 3.252 0.518 11.993 1.00 97.46 64 A 1 ATOM 534 N N . ARG A 1 65 ? 4.225 -7.374 9.622 1.00 97.46 65 A 1 ATOM 535 C CA . ARG A 1 65 ? 4.203 -8.352 8.535 1.00 97.36 65 A 1 ATOM 536 C C . ARG A 1 65 ? 3.786 -7.659 7.240 1.00 97.55 65 A 1 ATOM 537 O O . ARG A 1 65 ? 3.148 -6.605 7.262 1.00 97.20 65 A 1 ATOM 538 C CB . ARG A 1 65 ? 3.319 -9.557 8.904 1.00 96.45 65 A 1 ATOM 539 C CG . ARG A 1 65 ? 1.827 -9.206 9.080 1.00 94.21 65 A 1 ATOM 540 C CD . ARG A 1 65 ? 1.019 -10.423 9.562 1.00 92.52 65 A 1 ATOM 541 N NE . ARG A 1 65 ? -0.413 -10.095 9.702 1.00 85.94 65 A 1 ATOM 542 C CZ . ARG A 1 65 ? -1.245 -10.464 10.671 1.00 82.47 65 A 1 ATOM 543 N NH1 . ARG A 1 65 ? -0.909 -11.270 11.635 1.00 74.79 65 A 1 ATOM 544 N NH2 . ARG A 1 65 ? -2.463 -10.020 10.699 1.00 75.82 65 A 1 ATOM 545 N N . VAL A 1 66 ? 4.116 -8.258 6.093 1.00 97.22 66 A 1 ATOM 546 C CA . VAL A 1 66 ? 3.690 -7.743 4.786 1.00 97.09 66 A 1 ATOM 547 C C . VAL A 1 66 ? 2.819 -8.744 4.049 1.00 96.60 66 A 1 ATOM 548 O O . VAL A 1 66 ? 3.005 -9.956 4.161 1.00 95.67 66 A 1 ATOM 549 C CB . VAL A 1 66 ? 4.852 -7.270 3.894 1.00 96.84 66 A 1 ATOM 550 C CG1 . VAL A 1 66 ? 5.498 -6.016 4.479 1.00 95.31 66 A 1 ATOM 551 C CG2 . VAL A 1 66 ? 5.915 -8.349 3.667 1.00 95.02 66 A 1 ATOM 552 N N . TRP A 1 67 ? 1.905 -8.217 3.251 1.00 96.55 67 A 1 ATOM 553 C CA . TRP A 1 67 ? 1.119 -8.995 2.308 1.00 96.17 67 A 1 ATOM 554 C C . TRP A 1 67 ? 0.819 -8.188 1.049 1.00 96.55 67 A 1 ATOM 555 O O . TRP A 1 67 ? 0.995 -6.966 1.016 1.00 96.18 67 A 1 ATOM 556 C CB . TRP A 1 67 ? -0.133 -9.526 2.998 1.00 95.08 67 A 1 ATOM 557 C CG . TRP A 1 67 ? -1.081 -8.500 3.540 1.00 94.44 67 A 1 ATOM 558 C CD1 . TRP A 1 67 ? -0.960 -7.869 4.724 1.00 91.35 67 A 1 ATOM 559 C CD2 . TRP A 1 67 ? -2.341 -8.047 2.967 1.00 93.67 67 A 1 ATOM 560 N NE1 . TRP A 1 67 ? -2.072 -7.075 4.944 1.00 89.76 67 A 1 ATOM 561 C CE2 . TRP A 1 67 ? -2.972 -7.177 3.908 1.00 92.43 67 A 1 ATOM 562 C CE3 . TRP A 1 67 ? -3.039 -8.331 1.781 1.00 89.81 67 A 1 ATOM 563 C CZ2 . TRP A 1 67 ? -4.257 -6.658 3.701 1.00 88.84 67 A 1 ATOM 564 C CZ3 . TRP A 1 67 ? -4.324 -7.802 1.551 1.00 88.56 67 A 1 ATOM 565 C CH2 . TRP A 1 67 ? -4.936 -6.980 2.514 1.00 88.05 67 A 1 ATOM 566 N N . PHE A 1 68 ? 0.426 -8.883 -0.025 1.00 95.62 68 A 1 ATOM 567 C CA . PHE A 1 68 ? 0.413 -8.328 -1.372 1.00 95.51 68 A 1 ATOM 568 C C . PHE A 1 68 ? -0.933 -8.540 -2.053 1.00 95.13 68 A 1 ATOM 569 O O . PHE A 1 68 ? -1.556 -9.596 -1.922 1.00 93.66 68 A 1 ATOM 570 C CB . PHE A 1 68 ? 1.547 -8.951 -2.198 1.00 95.35 68 A 1 ATOM 571 C CG . PHE A 1 68 ? 2.877 -9.041 -1.480 1.00 95.87 68 A 1 ATOM 572 C CD1 . PHE A 1 68 ? 3.572 -7.869 -1.132 1.00 94.49 68 A 1 ATOM 573 C CD2 . PHE A 1 68 ? 3.386 -10.294 -1.088 1.00 94.64 68 A 1 ATOM 574 C CE1 . PHE A 1 68 ? 4.760 -7.951 -0.385 1.00 94.11 68 A 1 ATOM 575 C CE2 . PHE A 1 68 ? 4.575 -10.374 -0.345 1.00 94.26 68 A 1 ATOM 576 C CZ . PHE A 1 68 ? 5.261 -9.200 0.012 1.00 94.83 68 A 1 ATOM 577 N N . LYS A 1 69 ? -1.352 -7.558 -2.850 1.00 94.73 69 A 1 ATOM 578 C CA . LYS A 1 69 ? -2.492 -7.666 -3.756 1.00 94.69 69 A 1 ATOM 579 C C . LYS A 1 69 ? -2.110 -7.264 -5.173 1.00 94.67 69 A 1 ATOM 580 O O . LYS A 1 69 ? -1.317 -6.353 -5.386 1.00 93.63 69 A 1 ATOM 581 C CB . LYS A 1 69 ? -3.683 -6.830 -3.267 1.00 93.42 69 A 1 ATOM 582 C CG . LYS A 1 69 ? -4.226 -7.304 -1.915 1.00 87.60 69 A 1 ATOM 583 C CD . LYS A 1 69 ? -5.550 -6.608 -1.530 1.00 85.55 69 A 1 ATOM 584 C CE . LYS A 1 69 ? -6.632 -6.960 -2.563 1.00 77.70 69 A 1 ATOM 585 N NZ . LYS A 1 69 ? -8.012 -6.750 -2.116 1.00 70.11 69 A 1 ATOM 586 N N . ASN A 1 70 ? -2.738 -7.916 -6.150 1.00 91.82 70 A 1 ATOM 587 C CA . ASN A 1 70 ? -2.796 -7.435 -7.520 1.00 90.57 70 A 1 ATOM 588 C C . ASN A 1 70 ? -4.231 -6.986 -7.800 1.00 89.33 70 A 1 ATOM 589 O O . ASN A 1 70 ? -5.130 -7.811 -7.941 1.00 87.16 70 A 1 ATOM 590 C CB . ASN A 1 70 ? -2.305 -8.528 -8.467 1.00 89.06 70 A 1 ATOM 591 C CG . ASN A 1 70 ? -2.468 -8.111 -9.913 1.00 84.16 70 A 1 ATOM 592 O OD1 . ASN A 1 70 ? -3.285 -8.645 -10.646 1.00 76.02 70 A 1 ATOM 593 N ND2 . ASN A 1 70 ? -1.716 -7.135 -10.359 1.00 77.04 70 A 1 ATOM 594 N N . ASN A 1 71 ? -4.452 -5.677 -7.840 1.00 90.69 71 A 1 ATOM 595 C CA . ASN A 1 71 ? -5.777 -5.081 -7.873 1.00 89.51 71 A 1 ATOM 596 C C . ASN A 1 71 ? -6.290 -4.959 -9.309 1.00 88.87 71 A 1 ATOM 597 O O . ASN A 1 71 ? -5.546 -4.552 -10.207 1.00 85.24 71 A 1 ATOM 598 C CB . ASN A 1 71 ? -5.747 -3.721 -7.169 1.00 88.49 71 A 1 ATOM 599 C CG . ASN A 1 71 ? -5.325 -3.815 -5.718 1.00 86.89 71 A 1 ATOM 600 O OD1 . ASN A 1 71 ? -6.121 -4.087 -4.833 1.00 79.71 71 A 1 ATOM 601 N ND2 . ASN A 1 71 ? -4.061 -3.593 -5.438 1.00 79.66 71 A 1 ATOM 602 N N . CYS A 1 72 ? -7.584 -5.242 -9.495 1.00 87.13 72 A 1 ATOM 603 C CA . CYS A 1 72 ? -8.312 -5.011 -10.737 1.00 85.07 72 A 1 ATOM 604 C C . CYS A 1 72 ? -9.242 -3.799 -10.563 1.00 84.52 72 A 1 ATOM 605 O O . CYS A 1 72 ? -10.349 -3.948 -10.045 1.00 81.59 72 A 1 ATOM 606 C CB . CYS A 1 72 ? -9.069 -6.286 -11.114 1.00 80.65 72 A 1 ATOM 607 S SG . CYS A 1 72 ? -9.779 -6.103 -12.777 1.00 72.79 72 A 1 ATOM 608 N N . PRO A 1 73 ? -8.808 -2.580 -10.929 1.00 86.89 73 A 1 ATOM 609 C CA . PRO A 1 73 ? -9.690 -1.426 -10.881 1.00 84.10 73 A 1 ATOM 610 C C . PRO A 1 73 ? -10.781 -1.532 -11.955 1.00 82.42 73 A 1 ATOM 611 O O . PRO A 1 73 ? -10.562 -2.108 -13.018 1.00 76.36 73 A 1 ATOM 612 C CB . PRO A 1 73 ? -8.767 -0.231 -11.096 1.00 81.30 73 A 1 ATOM 613 C CG . PRO A 1 73 ? -7.678 -0.788 -12.004 1.00 83.31 73 A 1 ATOM 614 C CD . PRO A 1 73 ? -7.525 -2.227 -11.513 1.00 87.20 73 A 1 ATOM 615 N N . MET A 1 74 ? -11.934 -0.904 -11.722 1.00 82.36 74 A 1 ATOM 616 C CA . MET A 1 74 ? -13.026 -0.832 -12.705 1.00 80.36 74 A 1 ATOM 617 C C . MET A 1 74 ? -12.575 -0.200 -14.037 1.00 81.14 74 A 1 ATOM 618 O O . MET A 1 74 ? -13.045 -0.581 -15.107 1.00 77.90 74 A 1 ATOM 619 C CB . MET A 1 74 ? -14.175 -0.029 -12.080 1.00 77.51 74 A 1 ATOM 620 C CG . MET A 1 74 ? -15.424 0.017 -12.972 1.00 68.70 74 A 1 ATOM 621 S SD . MET A 1 74 ? -16.779 1.012 -12.299 1.00 62.80 74 A 1 ATOM 622 C CE . MET A 1 74 ? -17.326 -0.047 -10.935 1.00 54.48 74 A 1 ATOM 623 N N . VAL A 1 75 ? -11.636 0.753 -13.970 1.00 83.97 75 A 1 ATOM 624 C CA . VAL A 1 75 ? -11.047 1.424 -15.134 1.00 83.45 75 A 1 ATOM 625 C C . VAL A 1 75 ? -9.529 1.418 -15.006 1.00 83.66 75 A 1 ATOM 626 O O . VAL A 1 75 ? -8.987 1.841 -13.985 1.00 79.14 75 A 1 ATOM 627 C CB . VAL A 1 75 ? -11.580 2.865 -15.283 1.00 80.99 75 A 1 ATOM 628 C CG1 . VAL A 1 75 ? -10.983 3.557 -16.518 1.00 74.23 75 A 1 ATOM 629 C CG2 . VAL A 1 75 ? -13.107 2.892 -15.428 1.00 76.15 75 A 1 ATOM 630 N N . GLY A 1 76 ? -8.844 1.001 -16.076 1.00 84.69 76 A 1 ATOM 631 C CA . GLY A 1 76 ? -7.383 0.998 -16.165 1.00 83.86 76 A 1 ATOM 632 C C . GLY A 1 76 ? -6.748 -0.382 -15.956 1.00 86.55 76 A 1 ATOM 633 O O . GLY A 1 76 ? -7.445 -1.373 -15.762 1.00 83.89 76 A 1 ATOM 634 N N . PRO A 1 77 ? -5.413 -0.468 -16.054 1.00 86.68 77 A 1 ATOM 635 C CA . PRO A 1 77 ? -4.688 -1.727 -15.928 1.00 87.36 77 A 1 ATOM 636 C C . PRO A 1 77 ? -4.596 -2.196 -14.468 1.00 88.72 77 A 1 ATOM 637 O O . PRO A 1 77 ? -4.713 -1.406 -13.534 1.00 86.51 77 A 1 ATOM 638 C CB . PRO A 1 77 ? -3.306 -1.452 -16.530 1.00 84.68 77 A 1 ATOM 639 C CG . PRO A 1 77 ? -3.084 0.025 -16.208 1.00 82.67 77 A 1 ATOM 640 C CD . PRO A 1 77 ? -4.481 0.625 -16.329 1.00 86.31 77 A 1 ATOM 641 N N . LEU A 1 78 ? -4.296 -3.494 -14.303 1.00 88.04 78 A 1 ATOM 642 C CA . LEU A 1 78 ? -3.950 -4.075 -13.008 1.00 88.24 78 A 1 ATOM 643 C C . LEU A 1 78 ? -2.743 -3.351 -12.389 1.00 89.39 78 A 1 ATOM 644 O O . LEU A 1 78 ? -1.785 -3.022 -13.089 1.00 88.66 78 A 1 ATOM 645 C CB . LEU A 1 78 ? -3.627 -5.577 -13.157 1.00 86.53 78 A 1 ATOM 646 C CG . LEU A 1 78 ? -4.720 -6.452 -13.797 1.00 82.87 78 A 1 ATOM 647 C CD1 . LEU A 1 78 ? -4.250 -7.907 -13.845 1.00 79.18 78 A 1 ATOM 648 C CD2 . LEU A 1 78 ? -6.033 -6.393 -13.028 1.00 79.76 78 A 1 ATOM 649 N N . TYR A 1 79 ? -2.767 -3.178 -11.075 1.00 91.46 79 A 1 ATOM 650 C CA . TYR A 1 79 ? -1.643 -2.641 -10.309 1.00 92.05 79 A 1 ATOM 651 C C . TYR A 1 79 ? -1.426 -3.451 -9.031 1.00 92.34 79 A 1 ATOM 652 O O . TYR A 1 79 ? -2.337 -4.117 -8.540 1.00 91.00 79 A 1 ATOM 653 C CB . TYR A 1 79 ? -1.861 -1.150 -10.015 1.00 91.45 79 A 1 ATOM 654 C CG . TYR A 1 79 ? -2.922 -0.860 -8.972 1.00 91.81 79 A 1 ATOM 655 C CD1 . TYR A 1 79 ? -4.280 -0.784 -9.343 1.00 89.34 79 A 1 ATOM 656 C CD2 . TYR A 1 79 ? -2.556 -0.686 -7.626 1.00 90.33 79 A 1 ATOM 657 C CE1 . TYR A 1 79 ? -5.266 -0.532 -8.371 1.00 88.46 79 A 1 ATOM 658 C CE2 . TYR A 1 79 ? -3.541 -0.437 -6.650 1.00 89.02 79 A 1 ATOM 659 C CZ . TYR A 1 79 ? -4.896 -0.360 -7.021 1.00 89.47 79 A 1 ATOM 660 O OH . TYR A 1 79 ? -5.843 -0.127 -6.075 1.00 87.75 79 A 1 ATOM 661 N N . ASP A 1 80 ? -0.210 -3.403 -8.498 1.00 94.27 80 A 1 ATOM 662 C CA . ASP A 1 80 ? 0.152 -4.125 -7.280 1.00 94.69 80 A 1 ATOM 663 C C . ASP A 1 80 ? 0.153 -3.177 -6.081 1.00 95.13 80 A 1 ATOM 664 O O . ASP A 1 80 ? 0.477 -1.996 -6.212 1.00 94.39 80 A 1 ATOM 665 C CB . ASP A 1 80 ? 1.512 -4.816 -7.460 1.00 94.11 80 A 1 ATOM 666 C CG . ASP A 1 80 ? 1.540 -5.765 -8.661 1.00 93.50 80 A 1 ATOM 667 O OD1 . ASP A 1 80 ? 0.553 -6.496 -8.904 1.00 89.78 80 A 1 ATOM 668 O OD2 . ASP A 1 80 ? 2.526 -5.776 -9.430 1.00 89.60 80 A 1 ATOM 669 N N . ASP A 1 81 ? -0.149 -3.710 -4.902 1.00 95.69 81 A 1 ATOM 670 C CA . ASP A 1 81 ? 0.161 -3.041 -3.649 1.00 95.57 81 A 1 ATOM 671 C C . ASP A 1 81 ? 0.906 -3.967 -2.684 1.00 96.16 81 A 1 ATOM 672 O O . ASP A 1 81 ? 0.821 -5.192 -2.759 1.00 95.45 81 A 1 ATOM 673 C CB . ASP A 1 81 ? -1.070 -2.331 -3.047 1.00 93.56 81 A 1 ATOM 674 C CG . ASP A 1 81 ? -2.201 -3.220 -2.512 1.00 92.10 81 A 1 ATOM 675 O OD1 . ASP A 1 81 ? -1.942 -4.247 -1.860 1.00 88.46 81 A 1 ATOM 676 O OD2 . ASP A 1 81 ? -3.387 -2.826 -2.634 1.00 87.45 81 A 1 ATOM 677 N N . VAL A 1 82 ? 1.685 -3.356 -1.805 1.00 97.16 82 A 1 ATOM 678 C CA . VAL A 1 82 ? 2.247 -3.984 -0.607 1.00 97.39 82 A 1 ATOM 679 C C . VAL A 1 82 ? 1.631 -3.322 0.609 1.00 97.57 82 A 1 ATOM 680 O O . VAL A 1 82 ? 1.567 -2.095 0.683 1.00 97.26 82 A 1 ATOM 681 C CB . VAL A 1 82 ? 3.784 -3.937 -0.574 1.00 96.98 82 A 1 ATOM 682 C CG1 . VAL A 1 82 ? 4.376 -2.535 -0.729 1.00 95.30 82 A 1 ATOM 683 C CG2 . VAL A 1 82 ? 4.334 -4.551 0.722 1.00 94.29 82 A 1 ATOM 684 N N . ARG A 1 83 ? 1.203 -4.135 1.554 1.00 97.62 83 A 1 ATOM 685 C CA . ARG A 1 83 ? 0.518 -3.701 2.767 1.00 97.43 83 A 1 ATOM 686 C C . ARG A 1 83 ? 1.315 -4.129 3.985 1.00 97.60 83 A 1 ATOM 687 O O . ARG A 1 83 ? 1.785 -5.262 4.041 1.00 97.16 83 A 1 ATOM 688 C CB . ARG A 1 83 ? -0.895 -4.260 2.781 1.00 96.64 83 A 1 ATOM 689 C CG . ARG A 1 83 ? -1.679 -3.839 1.530 1.00 94.82 83 A 1 ATOM 690 C CD . ARG A 1 83 ? -3.118 -4.310 1.629 1.00 92.65 83 A 1 ATOM 691 N NE . ARG A 1 83 ? -3.869 -3.930 0.430 1.00 89.95 83 A 1 ATOM 692 C CZ . ARG A 1 83 ? -5.160 -3.712 0.345 1.00 89.12 83 A 1 ATOM 693 N NH1 . ARG A 1 83 ? -5.967 -3.880 1.356 1.00 83.03 83 A 1 ATOM 694 N NH2 . ARG A 1 83 ? -5.654 -3.311 -0.784 1.00 83.70 83 A 1 ATOM 695 N N . PHE A 1 84 ? 1.470 -3.199 4.894 1.00 98.00 84 A 1 ATOM 696 C CA . PHE A 1 84 ? 2.202 -3.350 6.138 1.00 98.11 84 A 1 ATOM 697 C C . PHE A 1 84 ? 1.174 -3.455 7.259 1.00 98.02 84 A 1 ATOM 698 O O . PHE A 1 84 ? 0.476 -2.486 7.561 1.00 97.68 84 A 1 ATOM 699 C CB . PHE A 1 84 ? 3.145 -2.164 6.323 1.00 98.19 84 A 1 ATOM 700 C CG . PHE A 1 84 ? 4.266 -2.075 5.303 1.00 98.36 84 A 1 ATOM 701 C CD1 . PHE A 1 84 ? 5.570 -2.473 5.655 1.00 98.01 84 A 1 ATOM 702 C CD2 . PHE A 1 84 ? 4.015 -1.594 4.002 1.00 98.10 84 A 1 ATOM 703 C CE1 . PHE A 1 84 ? 6.610 -2.387 4.716 1.00 97.98 84 A 1 ATOM 704 C CE2 . PHE A 1 84 ? 5.053 -1.520 3.060 1.00 97.98 84 A 1 ATOM 705 C CZ . PHE A 1 84 ? 6.351 -1.914 3.419 1.00 98.23 84 A 1 ATOM 706 N N . GLU A 1 85 ? 1.049 -4.648 7.798 1.00 97.69 85 A 1 ATOM 707 C CA . GLU A 1 85 ? 0.113 -4.986 8.864 1.00 97.31 85 A 1 ATOM 708 C C . GLU A 1 85 ? 0.903 -5.051 10.179 1.00 97.59 85 A 1 ATOM 709 O O . GLU A 1 85 ? 1.874 -5.818 10.239 1.00 97.09 85 A 1 ATOM 710 C CB . GLU A 1 85 ? -0.533 -6.341 8.536 1.00 95.92 85 A 1 ATOM 711 C CG . GLU A 1 85 ? -1.798 -6.653 9.352 1.00 91.90 85 A 1 ATOM 712 C CD . GLU A 1 85 ? -3.066 -5.994 8.778 1.00 91.10 85 A 1 ATOM 713 O OE1 . GLU A 1 85 ? -3.919 -5.535 9.551 1.00 83.34 85 A 1 ATOM 714 O OE2 . GLU A 1 85 ? -3.241 -5.961 7.531 1.00 84.19 85 A 1 ATOM 715 N N . PRO A 1 86 ? 0.550 -4.265 11.211 1.00 97.86 86 A 1 ATOM 716 C CA . PRO A 1 86 ? 1.188 -4.405 12.511 1.00 97.70 86 A 1 ATOM 717 C C . PRO A 1 86 ? 0.930 -5.810 13.072 1.00 97.48 86 A 1 ATOM 718 O O . PRO A 1 86 ? -0.126 -6.401 12.843 1.00 96.95 86 A 1 ATOM 719 C CB . PRO A 1 86 ? 0.598 -3.299 13.390 1.00 97.38 86 A 1 ATOM 720 C CG . PRO A 1 86 ? -0.789 -3.082 12.782 1.00 96.39 86 A 1 ATOM 721 C CD . PRO A 1 86 ? -0.559 -3.321 11.290 1.00 97.68 86 A 1 ATOM 722 N N . LEU A 1 87 ? 1.905 -6.360 13.785 1.00 97.30 87 A 1 ATOM 723 C CA . LEU A 1 87 ? 1.747 -7.660 14.446 1.00 96.90 87 A 1 ATOM 724 C C . LEU A 1 87 ? 0.735 -7.588 15.595 1.00 96.40 87 A 1 ATOM 725 O O . LEU A 1 87 ? 0.043 -8.569 15.853 1.00 95.02 87 A 1 ATOM 726 C CB . LEU A 1 87 ? 3.106 -8.152 14.963 1.00 96.79 87 A 1 ATOM 727 C CG . LEU A 1 87 ? 4.148 -8.430 13.867 1.00 95.90 87 A 1 ATOM 728 C CD1 . LEU A 1 87 ? 5.464 -8.839 14.524 1.00 93.86 87 A 1 ATOM 729 C CD2 . LEU A 1 87 ? 3.720 -9.547 12.912 1.00 93.77 87 A 1 ATOM 730 N N . ASP A 1 88 ? 0.641 -6.424 16.227 1.00 96.53 88 A 1 ATOM 731 C CA . ASP A 1 88 ? -0.417 -6.115 17.181 1.00 95.90 88 A 1 ATOM 732 C C . ASP A 1 88 ? -1.679 -5.663 16.426 1.00 95.83 88 A 1 ATOM 733 O O . ASP A 1 88 ? -1.775 -4.528 15.946 1.00 94.83 88 A 1 ATOM 734 C CB . ASP A 1 88 ? 0.079 -5.065 18.178 1.00 95.13 88 A 1 ATOM 735 C CG . ASP A 1 88 ? -0.940 -4.797 19.288 1.00 93.79 88 A 1 ATOM 736 O OD1 . ASP A 1 88 ? -2.058 -5.346 19.213 1.00 91.07 88 A 1 ATOM 737 O OD2 . ASP A 1 88 ? -0.569 -4.036 20.202 1.00 89.73 88 A 1 ATOM 738 N N . GLU A 1 89 ? -2.633 -6.575 16.289 1.00 94.47 89 A 1 ATOM 739 C CA . GLU A 1 89 ? -3.867 -6.338 15.538 1.00 93.45 89 A 1 ATOM 740 C C . GLU A 1 89 ? -4.789 -5.304 16.207 1.00 94.06 89 A 1 ATOM 741 O O . GLU A 1 89 ? -5.584 -4.673 15.507 1.00 92.60 89 A 1 ATOM 742 C CB . GLU A 1 89 ? -4.599 -7.664 15.274 1.00 91.44 89 A 1 ATOM 743 C CG . GLU A 1 89 ? -3.765 -8.614 14.391 1.00 84.41 89 A 1 ATOM 744 C CD . GLU A 1 89 ? -4.491 -9.879 13.898 1.00 78.93 89 A 1 ATOM 745 O OE1 . GLU A 1 89 ? -3.867 -10.590 13.060 1.00 71.38 89 A 1 ATOM 746 O OE2 . GLU A 1 89 ? -5.655 -10.129 14.284 1.00 71.16 89 A 1 ATOM 747 N N . GLU A 1 90 ? -4.659 -5.067 17.509 1.00 94.55 90 A 1 ATOM 748 C CA . GLU A 1 90 ? -5.438 -4.039 18.219 1.00 94.25 90 A 1 ATOM 749 C C . GLU A 1 90 ? -5.055 -2.624 17.762 1.00 94.34 90 A 1 ATOM 750 O O . GLU A 1 90 ? -5.881 -1.717 17.761 1.00 92.63 90 A 1 ATOM 751 C CB . GLU A 1 90 ? -5.267 -4.167 19.743 1.00 94.65 90 A 1 ATOM 752 C CG . GLU A 1 90 ? -5.777 -5.508 20.301 1.00 89.63 90 A 1 ATOM 753 C CD . GLU A 1 90 ? -5.801 -5.595 21.840 1.00 82.36 90 A 1 ATOM 754 O OE1 . GLU A 1 90 ? -6.366 -6.592 22.349 1.00 74.56 90 A 1 ATOM 755 O OE2 . GLU A 1 90 ? -5.309 -4.669 22.522 1.00 76.34 90 A 1 ATOM 756 N N . GLN A 1 91 ? -3.812 -2.446 17.289 1.00 95.54 91 A 1 ATOM 757 C CA . GLN A 1 91 ? -3.298 -1.160 16.793 1.00 95.22 91 A 1 ATOM 758 C C . GLN A 1 91 ? -3.462 -0.977 15.278 1.00 96.15 91 A 1 ATOM 759 O O . GLN A 1 91 ? -2.951 -0.017 14.697 1.00 95.17 91 A 1 ATOM 760 C CB . GLN A 1 91 ? -1.841 -0.998 17.234 1.00 94.36 91 A 1 ATOM 761 C CG . GLN A 1 91 ? -1.709 -0.923 18.762 1.00 91.40 91 A 1 ATOM 762 C CD . GLN A 1 91 ? -0.273 -0.631 19.175 1.00 86.06 91 A 1 ATOM 763 O OE1 . GLN A 1 91 ? 0.306 0.396 18.858 1.00 76.53 91 A 1 ATOM 764 N NE2 . GLN A 1 91 ? 0.369 -1.528 19.876 1.00 73.54 91 A 1 ATOM 765 N N . ARG A 1 92 ? -4.179 -1.881 14.613 1.00 95.52 92 A 1 ATOM 766 C CA . ARG A 1 92 ? -4.325 -1.872 13.153 1.00 95.86 92 A 1 ATOM 767 C C . ARG A 1 92 ? -4.843 -0.540 12.610 1.00 95.98 92 A 1 ATOM 768 O O . ARG A 1 92 ? -4.323 -0.044 11.616 1.00 94.90 92 A 1 ATOM 769 C CB . ARG A 1 92 ? -5.247 -3.012 12.751 1.00 95.05 92 A 1 ATOM 770 C CG . ARG A 1 92 ? -5.272 -3.179 11.236 1.00 92.89 92 A 1 ATOM 771 C CD . ARG A 1 92 ? -6.272 -4.263 10.836 1.00 90.93 92 A 1 ATOM 772 N NE . ARG A 1 92 ? -6.182 -4.493 9.393 1.00 86.00 92 A 1 ATOM 773 C CZ . ARG A 1 92 ? -6.639 -3.695 8.452 1.00 83.95 92 A 1 ATOM 774 N NH1 . ARG A 1 92 ? -7.424 -2.682 8.714 1.00 76.09 92 A 1 ATOM 775 N NH2 . ARG A 1 92 ? -6.275 -3.906 7.230 1.00 75.51 92 A 1 ATOM 776 N N . ASP A 1 93 ? -5.862 0.023 13.240 1.00 95.77 93 A 1 ATOM 777 C CA . ASP A 1 93 ? -6.520 1.251 12.772 1.00 94.47 93 A 1 ATOM 778 C C . ASP A 1 93 ? -5.663 2.519 12.956 1.00 93.94 93 A 1 ATOM 779 O O . ASP A 1 93 ? -6.019 3.582 12.455 1.00 91.70 93 A 1 ATOM 780 C CB . ASP A 1 93 ? -7.909 1.376 13.414 1.00 93.68 93 A 1 ATOM 781 C CG . ASP A 1 93 ? -8.910 0.343 12.866 1.00 91.14 93 A 1 ATOM 782 O OD1 . ASP A 1 93 ? -8.756 -0.071 11.691 1.00 87.20 93 A 1 ATOM 783 O OD2 . ASP A 1 93 ? -9.855 -0.007 13.602 1.00 86.84 93 A 1 ATOM 784 N N . GLU A 1 94 ? -4.507 2.399 13.598 1.00 95.03 94 A 1 ATOM 785 C CA . GLU A 1 94 ? -3.534 3.481 13.764 1.00 94.57 94 A 1 ATOM 786 C C . GLU A 1 94 ? -2.269 3.244 12.931 1.00 96.01 94 A 1 ATOM 787 O O . GLU A 1 94 ? -1.752 4.163 12.293 1.00 95.29 94 A 1 ATOM 788 C CB . GLU A 1 94 ? -3.178 3.628 15.245 1.00 92.13 94 A 1 ATOM 789 C CG . GLU A 1 94 ? -4.398 3.984 16.110 1.00 81.32 94 A 1 ATOM 790 C CD . GLU A 1 94 ? -4.044 4.258 17.580 1.00 76.23 94 A 1 ATOM 791 O OE1 . GLU A 1 94 ? -4.987 4.602 18.327 1.00 67.46 94 A 1 ATOM 792 O OE2 . GLU A 1 94 ? -2.846 4.180 17.935 1.00 67.08 94 A 1 ATOM 793 N N . LEU A 1 95 ? -1.783 2.006 12.917 1.00 97.05 95 A 1 ATOM 794 C CA . LEU A 1 95 ? -0.444 1.674 12.430 1.00 97.48 95 A 1 ATOM 795 C C . LEU A 1 95 ? -0.409 1.114 11.007 1.00 97.85 95 A 1 ATOM 796 O O . LEU A 1 95 ? 0.634 1.155 10.356 1.00 97.60 95 A 1 ATOM 797 C CB . LEU A 1 95 ? 0.202 0.692 13.412 1.00 97.16 95 A 1 ATOM 798 C CG . LEU A 1 95 ? 0.376 1.197 14.854 1.00 95.77 95 A 1 ATOM 799 C CD1 . LEU A 1 95 ? 1.229 0.177 15.615 1.00 93.87 95 A 1 ATOM 800 C CD2 . LEU A 1 95 ? 1.073 2.550 14.935 1.00 93.75 95 A 1 ATOM 801 N N . TYR A 1 96 ? -1.530 0.596 10.499 1.00 97.81 96 A 1 ATOM 802 C CA . TYR A 1 96 ? -1.572 -0.006 9.172 1.00 98.00 96 A 1 ATOM 803 C C . TYR A 1 96 ? -1.313 1.016 8.067 1.00 98.10 96 A 1 ATOM 804 O O . TYR A 1 96 ? -1.867 2.114 8.055 1.00 97.74 96 A 1 ATOM 805 C CB . TYR A 1 96 ? -2.914 -0.697 8.974 1.00 97.69 96 A 1 ATOM 806 C CG . TYR A 1 96 ? -3.143 -1.261 7.590 1.00 97.37 96 A 1 ATOM 807 C CD1 . TYR A 1 96 ? -3.672 -0.446 6.573 1.00 95.87 96 A 1 ATOM 808 C CD2 . TYR A 1 96 ? -2.861 -2.611 7.334 1.00 95.71 96 A 1 ATOM 809 C CE1 . TYR A 1 96 ? -3.960 -0.996 5.317 1.00 94.62 96 A 1 ATOM 810 C CE2 . TYR A 1 96 ? -3.154 -3.164 6.082 1.00 94.43 96 A 1 ATOM 811 C CZ . TYR A 1 96 ? -3.725 -2.361 5.078 1.00 94.51 96 A 1 ATOM 812 O OH . TYR A 1 96 ? -4.077 -2.912 3.899 1.00 93.10 96 A 1 ATOM 813 N N . PHE A 1 97 ? -0.526 0.618 7.066 1.00 98.09 97 A 1 ATOM 814 C CA . PHE A 1 97 ? -0.370 1.384 5.834 1.00 98.26 97 A 1 ATOM 815 C C . PHE A 1 97 ? -0.078 0.483 4.635 1.00 98.30 97 A 1 ATOM 816 O O . PHE A 1 97 ? 0.283 -0.684 4.761 1.00 98.10 97 A 1 ATOM 817 C CB . PHE A 1 97 ? 0.707 2.462 6.016 1.00 98.29 97 A 1 ATOM 818 C CG . PHE A 1 97 ? 2.120 1.939 6.169 1.00 98.49 97 A 1 ATOM 819 C CD1 . PHE A 1 97 ? 2.598 1.550 7.434 1.00 98.07 97 A 1 ATOM 820 C CD2 . PHE A 1 97 ? 2.968 1.856 5.051 1.00 98.11 97 A 1 ATOM 821 C CE1 . PHE A 1 97 ? 3.911 1.080 7.578 1.00 97.85 97 A 1 ATOM 822 C CE2 . PHE A 1 97 ? 4.283 1.386 5.195 1.00 97.77 97 A 1 ATOM 823 C CZ . PHE A 1 97 ? 4.756 0.999 6.460 1.00 98.04 97 A 1 ATOM 824 N N . GLY A 1 98 ? -0.213 1.038 3.443 1.00 97.87 98 A 1 ATOM 825 C CA . GLY A 1 98 ? 0.143 0.336 2.221 1.00 97.89 98 A 1 ATOM 826 C C . GLY A 1 98 ? 0.702 1.258 1.150 1.00 98.10 98 A 1 ATOM 827 O O . GLY A 1 98 ? 0.536 2.478 1.189 1.00 97.80 98 A 1 ATOM 828 N N . VAL A 1 99 ? 1.371 0.654 0.175 1.00 97.80 99 A 1 ATOM 829 C CA . VAL A 1 99 ? 1.959 1.341 -0.978 1.00 97.85 99 A 1 ATOM 830 C C . VAL A 1 99 ? 1.364 0.756 -2.252 1.00 97.59 99 A 1 ATOM 831 O O . VAL A 1 99 ? 1.691 -0.368 -2.634 1.00 96.96 99 A 1 ATOM 832 C CB . VAL A 1 99 ? 3.496 1.237 -0.988 1.00 97.86 99 A 1 ATOM 833 C CG1 . VAL A 1 99 ? 4.089 2.155 -2.066 1.00 97.13 99 A 1 ATOM 834 C CG2 . VAL A 1 99 ? 4.127 1.603 0.360 1.00 97.16 99 A 1 ATOM 835 N N . ALA A 1 100 ? 0.518 1.527 -2.930 1.00 96.82 100 A 1 ATOM 836 C CA . ALA A 1 100 ? 0.055 1.230 -4.280 1.00 96.42 100 A 1 ATOM 837 C C . ALA A 1 100 ? 1.148 1.600 -5.295 1.00 96.48 100 A 1 ATOM 838 O O . ALA A 1 100 ? 1.746 2.677 -5.220 1.00 96.08 100 A 1 ATOM 839 C CB . ALA A 1 100 ? -1.264 1.965 -4.543 1.00 95.77 100 A 1 ATOM 840 N N . ILE A 1 101 ? 1.407 0.706 -6.253 1.00 95.81 101 A 1 ATOM 841 C CA . ILE A 1 101 ? 2.542 0.772 -7.175 1.00 95.28 101 A 1 ATOM 842 C C . ILE A 1 101 ? 2.040 0.830 -8.618 1.00 94.20 101 A 1 ATOM 843 O O . ILE A 1 101 ? 1.368 -0.084 -9.095 1.00 92.38 101 A 1 ATOM 844 C CB . ILE A 1 101 ? 3.492 -0.430 -6.958 1.00 95.17 101 A 1 ATOM 845 C CG1 . ILE A 1 101 ? 3.912 -0.568 -5.475 1.00 94.20 101 A 1 ATOM 846 C CG2 . ILE A 1 101 ? 4.732 -0.290 -7.865 1.00 93.95 101 A 1 ATOM 847 C CD1 . ILE A 1 101 ? 4.708 -1.835 -5.168 1.00 91.91 101 A 1 ATOM 848 N N . ASP A 1 102 ? 2.426 1.889 -9.330 1.00 94.09 102 A 1 ATOM 849 C CA . ASP A 1 102 ? 2.120 2.088 -10.750 1.00 92.35 102 A 1 ATOM 850 C C . ASP A 1 102 ? 0.618 2.072 -11.111 1.00 92.39 102 A 1 ATOM 851 O O . ASP A 1 102 ? 0.269 1.782 -12.264 1.00 89.00 102 A 1 ATOM 852 C CB . ASP A 1 102 ? 2.978 1.146 -11.632 1.00 89.58 102 A 1 ATOM 853 C CG . ASP A 1 102 ? 4.428 1.594 -11.832 1.00 82.23 102 A 1 ATOM 854 O OD1 . ASP A 1 102 ? 4.635 2.788 -12.159 1.00 78.40 102 A 1 ATOM 855 O OD2 . ASP A 1 102 ? 5.357 0.753 -11.797 1.00 77.06 102 A 1 ATOM 856 N N . ASP A 1 103 ? -0.270 2.436 -10.182 1.00 91.13 103 A 1 ATOM 857 C CA . ASP A 1 103 ? -1.688 2.658 -10.493 1.00 89.85 103 A 1 ATOM 858 C C . ASP A 1 103 ? -1.824 3.846 -11.457 1.00 89.28 103 A 1 ATOM 859 O O . ASP A 1 103 ? -1.634 5.004 -11.085 1.00 86.97 103 A 1 ATOM 860 C CB . ASP A 1 103 ? -2.512 2.869 -9.212 1.00 88.85 103 A 1 ATOM 861 C CG . ASP A 1 103 ? -4.013 3.061 -9.482 1.00 88.43 103 A 1 ATOM 862 O OD1 . ASP A 1 103 ? -4.451 3.123 -10.661 1.00 84.15 103 A 1 ATOM 863 O OD2 . ASP A 1 103 ? -4.787 3.148 -8.512 1.00 84.10 103 A 1 ATOM 864 N N . LYS A 1 104 ? -2.172 3.555 -12.716 1.00 89.81 104 A 1 ATOM 865 C CA . LYS A 1 104 ? -2.250 4.557 -13.795 1.00 88.42 104 A 1 ATOM 866 C C . LYS A 1 104 ? -3.379 5.575 -13.630 1.00 89.13 104 A 1 ATOM 867 O O . LYS A 1 104 ? -3.421 6.531 -14.394 1.00 85.42 104 A 1 ATOM 868 C CB . LYS A 1 104 ? -2.332 3.860 -15.166 1.00 86.98 104 A 1 ATOM 869 C CG . LYS A 1 104 ? -1.131 2.954 -15.485 1.00 85.91 104 A 1 ATOM 870 C CD . LYS A 1 104 ? 0.213 3.677 -15.366 1.00 80.68 104 A 1 ATOM 871 C CE . LYS A 1 104 ? 1.361 2.727 -15.713 1.00 78.00 104 A 1 ATOM 872 N NZ . LYS A 1 104 ? 2.652 3.271 -15.225 1.00 67.63 104 A 1 ATOM 873 N N . ARG A 1 105 ? -4.257 5.402 -12.656 1.00 90.60 105 A 1 ATOM 874 C CA . ARG A 1 105 ? -5.271 6.393 -12.277 1.00 88.10 105 A 1 ATOM 875 C C . ARG A 1 105 ? -4.698 7.500 -11.383 1.00 88.93 105 A 1 ATOM 876 O O . ARG A 1 105 ? -5.394 8.470 -11.097 1.00 87.62 105 A 1 ATOM 877 C CB . ARG A 1 105 ? -6.426 5.687 -11.560 1.00 86.85 105 A 1 ATOM 878 C CG . ARG A 1 105 ? -7.034 4.538 -12.382 1.00 85.24 105 A 1 ATOM 879 C CD . ARG A 1 105 ? -8.031 3.734 -11.544 1.00 83.08 105 A 1 ATOM 880 N NE . ARG A 1 105 ? -7.367 3.105 -10.386 1.00 79.68 105 A 1 ATOM 881 C CZ . ARG A 1 105 ? -7.965 2.586 -9.330 1.00 76.40 105 A 1 ATOM 882 N NH1 . ARG A 1 105 ? -9.259 2.493 -9.246 1.00 70.64 105 A 1 ATOM 883 N NH2 . ARG A 1 105 ? -7.256 2.171 -8.329 1.00 68.57 105 A 1 ATOM 884 N N . ARG A 1 106 ? -3.464 7.342 -10.904 1.00 88.14 106 A 1 ATOM 885 C CA . ARG A 1 106 ? -2.784 8.279 -10.006 1.00 86.57 106 A 1 ATOM 886 C C . ARG A 1 106 ? -1.637 8.981 -10.729 1.00 87.76 106 A 1 ATOM 887 O O . ARG A 1 106 ? -0.960 8.393 -11.569 1.00 86.33 106 A 1 ATOM 888 C CB . ARG A 1 106 ? -2.293 7.547 -8.743 1.00 86.81 106 A 1 ATOM 889 C CG . ARG A 1 106 ? -3.368 6.742 -7.984 1.00 86.91 106 A 1 ATOM 890 C CD . ARG A 1 106 ? -4.563 7.597 -7.530 1.00 82.06 106 A 1 ATOM 891 N NE . ARG A 1 106 ? -5.502 6.810 -6.712 1.00 76.88 106 A 1 ATOM 892 C CZ . ARG A 1 106 ? -6.627 7.244 -6.172 1.00 69.38 106 A 1 ATOM 893 N NH1 . ARG A 1 106 ? -7.057 8.463 -6.342 1.00 64.65 106 A 1 ATOM 894 N NH2 . ARG A 1 106 ? -7.353 6.447 -5.441 1.00 63.38 106 A 1 ATOM 895 N N . GLU A 1 107 ? -1.403 10.233 -10.354 1.00 88.74 107 A 1 ATOM 896 C CA . GLU A 1 107 ? -0.299 11.034 -10.905 1.00 88.96 107 A 1 ATOM 897 C C . GLU A 1 107 ? 1.076 10.546 -10.426 1.00 90.79 107 A 1 ATOM 898 O O . GLU A 1 107 ? 2.078 10.660 -11.135 1.00 88.10 107 A 1 ATOM 899 C CB . GLU A 1 107 ? -0.452 12.492 -10.469 1.00 86.76 107 A 1 ATOM 900 C CG . GLU A 1 107 ? -1.733 13.155 -10.990 1.00 77.70 107 A 1 ATOM 901 C CD . GLU A 1 107 ? -1.800 14.642 -10.606 1.00 72.30 107 A 1 ATOM 902 O OE1 . GLU A 1 107 ? -2.695 15.321 -11.140 1.00 64.20 107 A 1 ATOM 903 O OE2 . GLU A 1 107 ? -0.948 15.075 -9.793 1.00 68.18 107 A 1 ATOM 904 N N . LYS A 1 108 ? 1.125 10.015 -9.192 1.00 90.54 108 A 1 ATOM 905 C CA . LYS A 1 108 ? 2.353 9.514 -8.575 1.00 90.98 108 A 1 ATOM 906 C C . LYS A 1 108 ? 2.507 8.018 -8.813 1.00 92.41 108 A 1 ATOM 907 O O . LYS A 1 108 ? 1.545 7.265 -8.753 1.00 90.86 108 A 1 ATOM 908 C CB . LYS A 1 108 ? 2.376 9.863 -7.083 1.00 90.24 108 A 1 ATOM 909 C CG . LYS A 1 108 ? 2.308 11.368 -6.782 1.00 91.21 108 A 1 ATOM 910 C CD . LYS A 1 108 ? 3.464 12.170 -7.395 1.00 88.34 108 A 1 ATOM 911 C CE . LYS A 1 108 ? 3.392 13.625 -6.935 1.00 84.99 108 A 1 ATOM 912 N NZ . LYS A 1 108 ? 4.516 14.423 -7.480 1.00 75.68 108 A 1 ATOM 913 N N . LYS A 1 109 ? 3.754 7.600 -9.046 1.00 95.02 109 A 1 ATOM 914 C CA . LYS A 1 109 ? 4.106 6.193 -9.267 1.00 95.77 109 A 1 ATOM 915 C C . LYS A 1 109 ? 3.853 5.328 -8.031 1.00 96.50 109 A 1 ATOM 916 O O . LYS A 1 109 ? 3.433 4.182 -8.166 1.00 95.66 109 A 1 ATOM 917 C CB . LYS A 1 109 ? 5.570 6.122 -9.719 1.00 95.10 109 A 1 ATOM 918 C CG . LYS A 1 109 ? 5.979 4.675 -9.964 1.00 92.22 109 A 1 ATOM 919 C CD . LYS A 1 109 ? 7.374 4.581 -10.571 1.00 89.54 109 A 1 ATOM 920 C CE . LYS A 1 109 ? 7.605 3.090 -10.809 1.00 83.28 109 A 1 ATOM 921 N NZ . LYS A 1 109 ? 8.838 2.830 -11.568 1.00 74.86 109 A 1 ATOM 922 N N . TYR A 1 110 ? 4.121 5.865 -6.860 1.00 96.89 110 A 1 ATOM 923 C CA . TYR A 1 110 ? 3.876 5.226 -5.572 1.00 97.31 110 A 1 ATOM 924 C C . TYR A 1 110 ? 2.910 6.096 -4.783 1.00 97.35 110 A 1 ATOM 925 O O . TYR A 1 110 ? 3.160 7.292 -4.629 1.00 96.68 110 A 1 ATOM 926 C CB . TYR A 1 110 ? 5.192 5.043 -4.812 1.00 97.46 110 A 1 ATOM 927 C CG . TYR A 1 110 ? 6.261 4.291 -5.581 1.00 97.61 110 A 1 ATOM 928 C CD1 . TYR A 1 110 ? 6.228 2.887 -5.647 1.00 96.88 110 A 1 ATOM 929 C CD2 . TYR A 1 110 ? 7.284 5.001 -6.245 1.00 97.05 110 A 1 ATOM 930 C CE1 . TYR A 1 110 ? 7.210 2.191 -6.372 1.00 96.67 110 A 1 ATOM 931 C CE2 . TYR A 1 110 ? 8.267 4.308 -6.973 1.00 96.75 110 A 1 ATOM 932 C CZ . TYR A 1 110 ? 8.230 2.900 -7.038 1.00 96.82 110 A 1 ATOM 933 O OH . TYR A 1 110 ? 9.175 2.229 -7.747 1.00 95.96 110 A 1 ATOM 934 N N . VAL A 1 111 ? 1.829 5.505 -4.300 1.00 97.19 111 A 1 ATOM 935 C CA . VAL A 1 111 ? 0.845 6.191 -3.458 1.00 97.39 111 A 1 ATOM 936 C C . VAL A 1 111 ? 0.749 5.443 -2.140 1.00 97.73 111 A 1 ATOM 937 O O . VAL A 1 111 ? 0.519 4.237 -2.139 1.00 97.54 111 A 1 ATOM 938 C CB . VAL A 1 111 ? -0.517 6.302 -4.161 1.00 96.74 111 A 1 ATOM 939 C CG1 . VAL A 1 111 ? -1.557 6.960 -3.248 1.00 94.67 111 A 1 ATOM 940 C CG2 . VAL A 1 111 ? -0.399 7.157 -5.429 1.00 94.79 111 A 1 ATOM 941 N N . ILE A 1 112 ? 0.944 6.159 -1.044 1.00 97.99 112 A 1 ATOM 942 C CA . ILE A 1 112 ? 0.850 5.615 0.308 1.00 97.87 112 A 1 ATOM 943 C C . ILE A 1 112 ? -0.537 5.940 0.848 1.00 97.48 112 A 1 ATOM 944 O O . ILE A 1 112 ? -0.955 7.096 0.817 1.00 96.72 112 A 1 ATOM 945 C CB . ILE A 1 112 ? 1.986 6.142 1.206 1.00 97.64 112 A 1 ATOM 946 C CG1 . ILE A 1 112 ? 3.342 5.756 0.570 1.00 95.89 112 A 1 ATOM 947 C CG2 . ILE A 1 112 ? 1.832 5.585 2.631 1.00 96.74 112 A 1 ATOM 948 C CD1 . ILE A 1 112 ? 4.577 6.084 1.394 1.00 87.86 112 A 1 ATOM 949 N N . PHE A 1 113 ? -1.232 4.913 1.322 1.00 97.62 113 A 1 ATOM 950 C CA . PHE A 1 113 ? -2.488 5.026 2.055 1.00 97.52 113 A 1 ATOM 951 C C . PHE A 1 113 ? -2.278 4.494 3.470 1.00 97.68 113 A 1 ATOM 952 O O . PHE A 1 113 ? -1.517 3.546 3.661 1.00 97.36 113 A 1 ATOM 953 C CB . PHE A 1 113 ? -3.606 4.295 1.302 1.00 97.12 113 A 1 ATOM 954 C CG . PHE A 1 113 ? -3.359 2.817 1.056 1.00 96.91 113 A 1 ATOM 955 C CD1 . PHE A 1 113 ? -2.691 2.391 -0.113 1.00 95.85 113 A 1 ATOM 956 C CD2 . PHE A 1 113 ? -3.795 1.858 1.988 1.00 95.93 113 A 1 ATOM 957 C CE1 . PHE A 1 113 ? -2.469 1.023 -0.347 1.00 94.91 113 A 1 ATOM 958 C CE2 . PHE A 1 113 ? -3.570 0.487 1.752 1.00 95.02 113 A 1 ATOM 959 C CZ . PHE A 1 113 ? -2.909 0.072 0.584 1.00 94.77 113 A 1 ATOM 960 N N . THR A 1 114 ? -2.921 5.109 4.450 1.00 97.40 114 A 1 ATOM 961 C CA . THR A 1 114 ? -2.662 4.818 5.866 1.00 97.30 114 A 1 ATOM 962 C C . THR A 1 114 ? -3.956 4.747 6.667 1.00 96.90 114 A 1 ATOM 963 O O . THR A 1 114 ? -4.886 5.510 6.418 1.00 96.14 114 A 1 ATOM 964 C CB . THR A 1 114 ? -1.706 5.849 6.497 1.00 96.96 114 A 1 ATOM 965 O OG1 . THR A 1 114 ? -2.283 7.132 6.536 1.00 95.19 114 A 1 ATOM 966 C CG2 . THR A 1 114 ? -0.386 5.984 5.748 1.00 94.84 114 A 1 ATOM 967 N N . ALA A 1 115 ? -4.003 3.870 7.661 1.00 97.55 115 A 1 ATOM 968 C CA . ALA A 1 115 ? -5.132 3.786 8.586 1.00 97.09 115 A 1 ATOM 969 C C . ALA A 1 115 ? -5.306 5.097 9.366 1.00 96.40 115 A 1 ATOM 970 O O . ALA A 1 115 ? -6.419 5.611 9.449 1.00 95.12 115 A 1 ATOM 971 C CB . ALA A 1 115 ? -4.912 2.601 9.518 1.00 96.87 115 A 1 ATOM 972 N N . ARG A 1 116 ? -4.200 5.722 9.797 1.00 96.88 116 A 1 ATOM 973 C CA . ARG A 1 116 ? -4.231 7.045 10.441 1.00 95.97 116 A 1 ATOM 974 C C . ARG A 1 116 ? -4.825 8.152 9.567 1.00 95.50 116 A 1 ATOM 975 O O . ARG A 1 116 ? -5.128 9.213 10.088 1.00 94.09 116 A 1 ATOM 976 C CB . ARG A 1 116 ? -2.839 7.447 10.946 1.00 94.46 116 A 1 ATOM 977 C CG . ARG A 1 116 ? -1.896 7.905 9.821 1.00 93.93 116 A 1 ATOM 978 C CD . ARG A 1 116 ? -0.622 8.486 10.419 1.00 93.24 116 A 1 ATOM 979 N NE . ARG A 1 116 ? 0.265 9.039 9.384 1.00 92.40 116 A 1 ATOM 980 C CZ . ARG A 1 116 ? 1.429 9.605 9.610 1.00 93.08 116 A 1 ATOM 981 N NH1 . ARG A 1 116 ? 1.924 9.720 10.804 1.00 89.78 116 A 1 ATOM 982 N NH2 . ARG A 1 116 ? 2.141 10.074 8.640 1.00 88.65 116 A 1 ATOM 983 N N . ASN A 1 117 ? -4.987 7.950 8.266 1.00 95.85 117 A 1 ATOM 984 C CA . ASN A 1 117 ? -5.668 8.852 7.331 1.00 95.02 117 A 1 ATOM 985 C C . ASN A 1 117 ? -6.979 8.244 6.800 1.00 94.80 117 A 1 ATOM 986 O O . ASN A 1 117 ? -7.308 8.408 5.628 1.00 93.31 117 A 1 ATOM 987 C CB . ASN A 1 117 ? -4.704 9.263 6.210 1.00 94.43 117 A 1 ATOM 988 C CG . ASN A 1 117 ? -5.220 10.444 5.407 1.00 93.00 117 A 1 ATOM 989 O OD1 . ASN A 1 117 ? -5.652 11.460 5.946 1.00 88.27 117 A 1 ATOM 990 N ND2 . ASN A 1 117 ? -5.151 10.378 4.102 1.00 87.95 117 A 1 ATOM 991 N N . ASP A 1 118 ? -7.701 7.501 7.638 1.00 94.38 118 A 1 ATOM 992 C CA . ASP A 1 118 ? -8.990 6.872 7.313 1.00 93.74 118 A 1 ATOM 993 C C . ASP A 1 118 ? -8.911 5.899 6.118 1.00 94.64 118 A 1 ATOM 994 O O . ASP A 1 118 ? -9.838 5.777 5.324 1.00 93.36 118 A 1 ATOM 995 C CB . ASP A 1 118 ? -10.090 7.949 7.187 1.00 92.33 118 A 1 ATOM 996 C CG . ASP A 1 118 ? -10.143 8.860 8.421 1.00 89.79 118 A 1 ATOM 997 O OD1 . ASP A 1 118 ? -10.301 8.337 9.543 1.00 86.57 118 A 1 ATOM 998 O OD2 . ASP A 1 118 ? -9.923 10.087 8.297 1.00 85.22 118 A 1 ATOM 999 N N . TYR A 1 119 ? -7.770 5.212 5.982 1.00 95.33 119 A 1 ATOM 1000 C CA . TYR A 1 119 ? -7.440 4.317 4.863 1.00 95.49 119 A 1 ATOM 1001 C C . TYR A 1 119 ? -7.366 5.004 3.487 1.00 95.46 119 A 1 ATOM 1002 O O . TYR A 1 119 ? -7.243 4.337 2.453 1.00 93.77 119 A 1 ATOM 1003 C CB . TYR A 1 119 ? -8.344 3.078 4.879 1.00 95.32 119 A 1 ATOM 1004 C CG . TYR A 1 119 ? -8.193 2.224 6.122 1.00 95.51 119 A 1 ATOM 1005 C CD1 . TYR A 1 119 ? -7.249 1.184 6.118 1.00 93.95 119 A 1 ATOM 1006 C CD2 . TYR A 1 119 ? -8.971 2.465 7.273 1.00 94.33 119 A 1 ATOM 1007 C CE1 . TYR A 1 119 ? -7.095 0.366 7.248 1.00 93.42 119 A 1 ATOM 1008 C CE2 . TYR A 1 119 ? -8.814 1.649 8.410 1.00 93.52 119 A 1 ATOM 1009 C CZ . TYR A 1 119 ? -7.880 0.591 8.391 1.00 93.72 119 A 1 ATOM 1010 O OH . TYR A 1 119 ? -7.726 -0.227 9.467 1.00 92.34 119 A 1 ATOM 1011 N N . GLU A 1 120 ? -7.355 6.330 3.472 1.00 94.18 120 A 1 ATOM 1012 C CA . GLU A 1 120 ? -7.209 7.144 2.272 1.00 93.98 120 A 1 ATOM 1013 C C . GLU A 1 120 ? -5.735 7.407 1.927 1.00 95.13 120 A 1 ATOM 1014 O O . GLU A 1 120 ? -4.809 7.145 2.701 1.00 94.86 120 A 1 ATOM 1015 C CB . GLU A 1 120 ? -7.992 8.454 2.440 1.00 92.68 120 A 1 ATOM 1016 C CG . GLU A 1 120 ? -9.520 8.254 2.447 1.00 89.01 120 A 1 ATOM 1017 C CD . GLU A 1 120 ? -10.056 7.712 1.113 1.00 83.66 120 A 1 ATOM 1018 O OE1 . GLU A 1 120 ? -11.156 7.130 1.092 1.00 74.85 120 A 1 ATOM 1019 O OE2 . GLU A 1 120 ? -9.361 7.907 0.073 1.00 74.12 120 A 1 ATOM 1020 N N . ASN A 1 121 ? -5.516 7.946 0.724 1.00 95.19 121 A 1 ATOM 1021 C CA . ASN A 1 121 ? -4.175 8.325 0.292 1.00 95.09 121 A 1 ATOM 1022 C C . ASN A 1 121 ? -3.638 9.464 1.168 1.00 94.85 121 A 1 ATOM 1023 O O . ASN A 1 121 ? -4.251 10.526 1.251 1.00 93.27 121 A 1 ATOM 1024 C CB . ASN A 1 121 ? -4.189 8.761 -1.172 1.00 94.46 121 A 1 ATOM 1025 C CG . ASN A 1 121 ? -4.625 7.685 -2.142 1.00 93.34 121 A 1 ATOM 1026 O OD1 . ASN A 1 121 ? -4.425 6.493 -2.000 1.00 88.11 121 A 1 ATOM 1027 N ND2 . ASN A 1 121 ? -5.228 8.092 -3.234 1.00 87.73 121 A 1 ATOM 1028 N N . GLU A 1 122 ? -2.467 9.264 1.734 1.00 95.29 122 A 1 ATOM 1029 C CA . GLU A 1 122 ? -1.787 10.257 2.563 1.00 94.83 122 A 1 ATOM 1030 C C . GLU A 1 122 ? -0.773 11.063 1.744 1.00 94.98 122 A 1 ATOM 1031 O O . GLU A 1 122 ? -0.779 12.291 1.742 1.00 93.55 122 A 1 ATOM 1032 C CB . GLU A 1 122 ? -1.123 9.534 3.738 1.00 93.69 122 A 1 ATOM 1033 C CG . GLU A 1 122 ? -0.548 10.537 4.731 1.00 91.92 122 A 1 ATOM 1034 C CD . GLU A 1 122 ? 0.102 9.846 5.922 1.00 92.72 122 A 1 ATOM 1035 O OE1 . GLU A 1 122 ? 1.262 10.181 6.222 1.00 87.44 122 A 1 ATOM 1036 O OE2 . GLU A 1 122 ? -0.559 9.028 6.588 1.00 89.51 122 A 1 ATOM 1037 N N . CYS A 1 123 ? 0.086 10.371 0.998 1.00 95.57 123 A 1 ATOM 1038 C CA . CYS A 1 123 ? 1.115 11.009 0.187 1.00 95.72 123 A 1 ATOM 1039 C C . CYS A 1 123 ? 1.472 10.161 -1.041 1.00 96.89 123 A 1 ATOM 1040 O O . CYS A 1 123 ? 1.009 9.029 -1.222 1.00 96.84 123 A 1 ATOM 1041 C CB . CYS A 1 123 ? 2.324 11.337 1.081 1.00 94.76 123 A 1 ATOM 1042 S SG . CYS A 1 123 ? 3.091 9.822 1.727 1.00 94.08 123 A 1 ATOM 1043 N N . GLY A 1 124 ? 2.284 10.717 -1.935 1.00 96.19 124 A 1 ATOM 1044 C CA . GLY A 1 124 ? 2.711 10.012 -3.133 1.00 96.73 124 A 1 ATOM 1045 C C . GLY A 1 124 ? 4.077 10.456 -3.639 1.00 97.29 124 A 1 ATOM 1046 O O . GLY A 1 124 ? 4.430 11.633 -3.577 1.00 96.55 124 A 1 ATOM 1047 N N . PHE A 1 125 ? 4.810 9.497 -4.212 1.00 97.07 125 A 1 ATOM 1048 C CA . PHE A 1 125 ? 6.191 9.658 -4.654 1.00 97.16 125 A 1 ATOM 1049 C C . PHE A 1 125 ? 6.390 9.128 -6.074 1.00 97.29 125 A 1 ATOM 1050 O O . PHE A 1 125 ? 5.691 8.232 -6.540 1.00 96.42 125 A 1 ATOM 1051 C CB . PHE A 1 125 ? 7.122 8.945 -3.665 1.00 96.93 125 A 1 ATOM 1052 C CG . PHE A 1 125 ? 6.940 9.374 -2.222 1.00 97.05 125 A 1 ATOM 1053 C CD1 . PHE A 1 125 ? 7.368 10.645 -1.800 1.00 95.95 125 A 1 ATOM 1054 C CD2 . PHE A 1 125 ? 6.331 8.504 -1.301 1.00 96.15 125 A 1 ATOM 1055 C CE1 . PHE A 1 125 ? 7.192 11.041 -0.461 1.00 95.32 125 A 1 ATOM 1056 C CE2 . PHE A 1 125 ? 6.160 8.900 0.038 1.00 95.56 125 A 1 ATOM 1057 C CZ . PHE A 1 125 ? 6.594 10.168 0.458 1.00 95.56 125 A 1 ATOM 1058 N N . ASN A 1 126 ? 7.411 9.652 -6.753 1.00 96.93 126 A 1 ATOM 1059 C CA . ASN A 1 126 ? 7.841 9.133 -8.055 1.00 96.47 126 A 1 ATOM 1060 C C . ASN A 1 126 ? 9.129 8.307 -7.964 1.00 96.65 126 A 1 ATOM 1061 O O . ASN A 1 126 ? 9.509 7.643 -8.932 1.00 94.74 126 A 1 ATOM 1062 C CB . ASN A 1 126 ? 7.947 10.305 -9.044 1.00 95.39 126 A 1 ATOM 1063 C CG . ASN A 1 126 ? 6.579 10.844 -9.423 1.00 94.43 126 A 1 ATOM 1064 O OD1 . ASN A 1 126 ? 5.616 10.118 -9.589 1.00 87.69 126 A 1 ATOM 1065 N ND2 . ASN A 1 126 ? 6.440 12.137 -9.575 1.00 86.94 126 A 1 ATOM 1066 N N . ASN A 1 127 ? 9.795 8.316 -6.815 1.00 96.52 127 A 1 ATOM 1067 C CA . ASN A 1 127 ? 11.058 7.631 -6.590 1.00 96.40 127 A 1 ATOM 1068 C C . ASN A 1 127 ? 10.947 6.633 -5.429 1.00 97.45 127 A 1 ATOM 1069 O O . ASN A 1 127 ? 10.532 6.976 -4.327 1.00 97.00 127 A 1 ATOM 1070 C CB . ASN A 1 127 ? 12.141 8.696 -6.361 1.00 93.73 127 A 1 ATOM 1071 C CG . ASN A 1 127 ? 13.555 8.143 -6.392 1.00 87.13 127 A 1 ATOM 1072 O OD1 . ASN A 1 127 ? 13.841 6.996 -6.074 1.00 78.05 127 A 1 ATOM 1073 N ND2 . ASN A 1 127 ? 14.507 8.952 -6.781 1.00 76.30 127 A 1 ATOM 1074 N N . VAL A 1 128 ? 11.415 5.403 -5.654 1.00 97.05 128 A 1 ATOM 1075 C CA . VAL A 1 128 ? 11.465 4.361 -4.619 1.00 97.48 128 A 1 ATOM 1076 C C . VAL A 1 128 ? 12.310 4.760 -3.398 1.00 97.87 128 A 1 ATOM 1077 O O . VAL A 1 128 ? 12.080 4.253 -2.311 1.00 97.62 128 A 1 ATOM 1078 C CB . VAL A 1 128 ? 11.966 3.041 -5.234 1.00 96.70 128 A 1 ATOM 1079 C CG1 . VAL A 1 128 ? 13.453 3.077 -5.616 1.00 92.82 128 A 1 ATOM 1080 C CG2 . VAL A 1 128 ? 11.716 1.854 -4.302 1.00 91.83 128 A 1 ATOM 1081 N N . ARG A 1 129 ? 13.280 5.663 -3.554 1.00 97.97 129 A 1 ATOM 1082 C CA . ARG A 1 129 ? 14.085 6.158 -2.428 1.00 97.84 129 A 1 ATOM 1083 C C . ARG A 1 129 ? 13.247 6.957 -1.436 1.00 97.99 129 A 1 ATOM 1084 O O . ARG A 1 129 ? 13.411 6.757 -0.245 1.00 97.70 129 A 1 ATOM 1085 C CB . ARG A 1 129 ? 15.258 7.012 -2.924 1.00 97.17 129 A 1 ATOM 1086 C CG . ARG A 1 129 ? 16.282 6.202 -3.726 1.00 86.55 129 A 1 ATOM 1087 C CD . ARG A 1 129 ? 17.402 7.130 -4.203 1.00 84.67 129 A 1 ATOM 1088 N NE . ARG A 1 129 ? 18.399 6.416 -5.024 1.00 71.99 129 A 1 ATOM 1089 C CZ . ARG A 1 129 ? 19.385 6.975 -5.711 1.00 63.71 129 A 1 ATOM 1090 N NH1 . ARG A 1 129 ? 19.565 8.268 -5.726 1.00 56.31 129 A 1 ATOM 1091 N NH2 . ARG A 1 129 ? 20.214 6.241 -6.401 1.00 53.48 129 A 1 ATOM 1092 N N . GLU A 1 130 ? 12.331 7.787 -1.934 1.00 97.65 130 A 1 ATOM 1093 C CA . GLU A 1 130 ? 11.414 8.570 -1.098 1.00 97.39 130 A 1 ATOM 1094 C C . GLU A 1 130 ? 10.428 7.650 -0.365 1.00 97.72 130 A 1 ATOM 1095 O O . GLU A 1 130 ? 10.230 7.795 0.835 1.00 97.55 130 A 1 ATOM 1096 C CB . GLU A 1 130 ? 10.654 9.574 -1.970 1.00 96.70 130 A 1 ATOM 1097 C CG . GLU A 1 130 ? 11.569 10.594 -2.660 1.00 94.03 130 A 1 ATOM 1098 C CD . GLU A 1 130 ? 10.801 11.419 -3.704 1.00 92.26 130 A 1 ATOM 1099 O OE1 . GLU A 1 130 ? 10.637 12.625 -3.497 1.00 83.82 130 A 1 ATOM 1100 O OE2 . GLU A 1 130 ? 10.410 10.822 -4.746 1.00 85.69 130 A 1 ATOM 1101 N N . VAL A 1 131 ? 9.912 6.617 -1.054 1.00 98.02 131 A 1 ATOM 1102 C CA . VAL A 1 131 ? 9.074 5.579 -0.426 1.00 98.19 131 A 1 ATOM 1103 C C . VAL A 1 131 ? 9.810 4.901 0.731 1.00 98.34 131 A 1 ATOM 1104 O O . VAL A 1 131 ? 9.265 4.756 1.819 1.00 98.23 131 A 1 ATOM 1105 C CB . VAL A 1 131 ? 8.640 4.515 -1.449 1.00 98.01 131 A 1 ATOM 1106 C CG1 . VAL A 1 131 ? 7.743 3.435 -0.829 1.00 97.11 131 A 1 ATOM 1107 C CG2 . VAL A 1 131 ? 7.875 5.135 -2.618 1.00 97.21 131 A 1 ATOM 1108 N N . ARG A 1 132 ? 11.063 4.503 0.516 1.00 98.36 132 A 1 ATOM 1109 C CA . ARG A 1 132 ? 11.872 3.873 1.568 1.00 98.37 132 A 1 ATOM 1110 C C . ARG A 1 132 ? 12.170 4.828 2.725 1.00 98.36 132 A 1 ATOM 1111 O O . ARG A 1 132 ? 12.197 4.379 3.860 1.00 98.11 132 A 1 ATOM 1112 C CB . ARG A 1 132 ? 13.189 3.368 0.986 1.00 98.02 132 A 1 ATOM 1113 C CG . ARG A 1 132 ? 13.031 2.160 0.060 1.00 96.68 132 A 1 ATOM 1114 C CD . ARG A 1 132 ? 14.367 2.002 -0.656 1.00 95.82 132 A 1 ATOM 1115 N NE . ARG A 1 132 ? 14.411 0.856 -1.567 1.00 92.11 132 A 1 ATOM 1116 C CZ . ARG A 1 132 ? 15.461 0.521 -2.283 1.00 90.84 132 A 1 ATOM 1117 N NH1 . ARG A 1 132 ? 16.553 1.229 -2.285 1.00 86.07 132 A 1 ATOM 1118 N NH2 . ARG A 1 132 ? 15.445 -0.543 -3.013 1.00 85.43 132 A 1 ATOM 1119 N N . GLN A 1 133 ? 12.420 6.104 2.434 1.00 98.33 133 A 1 ATOM 1120 C CA . GLN A 1 133 ? 12.617 7.125 3.465 1.00 98.09 133 A 1 ATOM 1121 C C . GLN A 1 133 ? 11.365 7.272 4.327 1.00 98.02 133 A 1 ATOM 1122 O O . GLN A 1 133 ? 11.487 7.209 5.542 1.00 97.67 133 A 1 ATOM 1123 C CB . GLN A 1 133 ? 12.989 8.468 2.829 1.00 97.80 133 A 1 ATOM 1124 C CG . GLN A 1 133 ? 14.456 8.492 2.374 1.00 85.76 133 A 1 ATOM 1125 C CD . GLN A 1 133 ? 14.801 9.713 1.524 1.00 83.27 133 A 1 ATOM 1126 O OE1 . GLN A 1 133 ? 13.979 10.353 0.899 1.00 74.36 133 A 1 ATOM 1127 N NE2 . GLN A 1 133 ? 16.058 10.074 1.433 1.00 72.14 133 A 1 ATOM 1128 N N . PHE A 1 134 ? 10.186 7.363 3.703 1.00 98.13 134 A 1 ATOM 1129 C CA . PHE A 1 134 ? 8.915 7.400 4.424 1.00 97.82 134 A 1 ATOM 1130 C C . PHE A 1 134 ? 8.734 6.163 5.316 1.00 98.01 134 A 1 ATOM 1131 O O . PHE A 1 134 ? 8.483 6.301 6.504 1.00 97.83 134 A 1 ATOM 1132 C CB . PHE A 1 134 ? 7.767 7.534 3.418 1.00 97.27 134 A 1 ATOM 1133 C CG . PHE A 1 134 ? 6.404 7.582 4.075 1.00 96.67 134 A 1 ATOM 1134 C CD1 . PHE A 1 134 ? 5.733 6.389 4.416 1.00 95.43 134 A 1 ATOM 1135 C CD2 . PHE A 1 134 ? 5.816 8.820 4.389 1.00 95.38 134 A 1 ATOM 1136 C CE1 . PHE A 1 134 ? 4.490 6.438 5.074 1.00 94.13 134 A 1 ATOM 1137 C CE2 . PHE A 1 134 ? 4.572 8.866 5.040 1.00 93.95 134 A 1 ATOM 1138 C CZ . PHE A 1 134 ? 3.912 7.675 5.385 1.00 93.61 134 A 1 ATOM 1139 N N . ILE A 1 135 ? 8.919 4.960 4.766 1.00 98.14 135 A 1 ATOM 1140 C CA . ILE A 1 135 ? 8.746 3.713 5.532 1.00 98.27 135 A 1 ATOM 1141 C C . ILE A 1 135 ? 9.752 3.629 6.690 1.00 98.19 135 A 1 ATOM 1142 O O . ILE A 1 135 ? 9.381 3.266 7.798 1.00 97.90 135 A 1 ATOM 1143 C CB . ILE A 1 135 ? 8.847 2.483 4.605 1.00 98.34 135 A 1 ATOM 1144 C CG1 . ILE A 1 135 ? 7.698 2.466 3.571 1.00 97.98 135 A 1 ATOM 1145 C CG2 . ILE A 1 135 ? 8.811 1.178 5.420 1.00 98.09 135 A 1 ATOM 1146 C CD1 . ILE A 1 135 ? 7.911 1.468 2.426 1.00 97.34 135 A 1 ATOM 1147 N N . ASN A 1 136 ? 11.017 3.974 6.449 1.00 98.41 136 A 1 ATOM 1148 C CA . ASN A 1 136 ? 12.040 3.951 7.499 1.00 98.31 136 A 1 ATOM 1149 C C . ASN A 1 136 ? 11.817 5.028 8.573 1.00 98.15 136 A 1 ATOM 1150 O O . ASN A 1 136 ? 12.245 4.827 9.702 1.00 97.41 136 A 1 ATOM 1151 C CB . ASN A 1 136 ? 13.429 4.098 6.856 1.00 98.20 136 A 1 ATOM 1152 C CG . ASN A 1 136 ? 13.905 2.840 6.152 1.00 98.16 136 A 1 ATOM 1153 O OD1 . ASN A 1 136 ? 13.650 1.708 6.544 1.00 95.30 136 A 1 ATOM 1154 N ND2 . ASN A 1 136 ? 14.668 2.978 5.099 1.00 95.13 136 A 1 ATOM 1155 N N . GLY A 1 137 ? 11.152 6.129 8.238 1.00 98.21 137 A 1 ATOM 1156 C CA . GLY A 1 137 ? 10.770 7.196 9.168 1.00 97.78 137 A 1 ATOM 1157 C C . GLY A 1 137 ? 9.375 7.033 9.773 1.00 97.73 137 A 1 ATOM 1158 O O . GLY A 1 137 ? 8.908 7.944 10.444 1.00 96.78 137 A 1 ATOM 1159 N N . TRP A 1 138 ? 8.693 5.916 9.530 1.00 97.78 138 A 1 ATOM 1160 C CA . TRP A 1 138 ? 7.293 5.731 9.924 1.00 97.55 138 A 1 ATOM 1161 C C . TRP A 1 138 ? 7.046 5.931 11.422 1.00 97.36 138 A 1 ATOM 1162 O O . TRP A 1 138 ? 6.070 6.576 11.799 1.00 96.16 138 A 1 ATOM 1163 C CB . TRP A 1 138 ? 6.819 4.342 9.492 1.00 97.08 138 A 1 ATOM 1164 C CG . TRP A 1 138 ? 5.392 4.034 9.833 1.00 97.04 138 A 1 ATOM 1165 C CD1 . TRP A 1 138 ? 4.966 3.028 10.626 1.00 95.59 138 A 1 ATOM 1166 C CD2 . TRP A 1 138 ? 4.189 4.744 9.407 1.00 96.82 138 A 1 ATOM 1167 N NE1 . TRP A 1 138 ? 3.587 3.053 10.711 1.00 94.98 138 A 1 ATOM 1168 C CE2 . TRP A 1 138 ? 3.055 4.095 9.980 1.00 96.13 138 A 1 ATOM 1169 C CE3 . TRP A 1 138 ? 3.942 5.875 8.601 1.00 95.35 138 A 1 ATOM 1170 C CZ2 . TRP A 1 138 ? 1.743 4.538 9.758 1.00 95.11 138 A 1 ATOM 1171 C CZ3 . TRP A 1 138 ? 2.628 6.327 8.374 1.00 94.15 138 A 1 ATOM 1172 C CH2 . TRP A 1 138 ? 1.533 5.662 8.946 1.00 93.74 138 A 1 ATOM 1173 N N . GLU A 1 139 ? 7.943 5.450 12.275 1.00 96.84 139 A 1 ATOM 1174 C CA . GLU A 1 139 ? 7.827 5.619 13.732 1.00 96.02 139 A 1 ATOM 1175 C C . GLU A 1 139 ? 7.821 7.100 14.161 1.00 95.79 139 A 1 ATOM 1176 O O . GLU A 1 139 ? 7.107 7.485 15.090 1.00 94.83 139 A 1 ATOM 1177 C CB . GLU A 1 139 ? 8.987 4.878 14.410 1.00 94.98 139 A 1 ATOM 1178 C CG . GLU A 1 139 ? 8.764 4.770 15.922 1.00 88.27 139 A 1 ATOM 1179 C CD . GLU A 1 139 ? 9.967 4.249 16.706 1.00 89.42 139 A 1 ATOM 1180 O OE1 . GLU A 1 139 ? 9.903 4.392 17.951 1.00 81.72 139 A 1 ATOM 1181 O OE2 . GLU A 1 139 ? 10.949 3.787 16.081 1.00 84.63 139 A 1 ATOM 1182 N N . ASP A 1 140 ? 8.602 7.946 13.472 1.00 96.34 140 A 1 ATOM 1183 C CA . ASP A 1 140 ? 8.624 9.389 13.726 1.00 95.71 140 A 1 ATOM 1184 C C . ASP A 1 140 ? 7.398 10.078 13.115 1.00 95.58 140 A 1 ATOM 1185 O O . ASP A 1 140 ? 6.795 10.945 13.746 1.00 94.07 140 A 1 ATOM 1186 C CB . ASP A 1 140 ? 9.925 9.996 13.188 1.00 95.05 140 A 1 ATOM 1187 C CG . ASP A 1 140 ? 11.167 9.533 13.958 1.00 92.23 140 A 1 ATOM 1188 O OD1 . ASP A 1 140 ? 11.056 9.330 15.196 1.00 87.99 140 A 1 ATOM 1189 O OD2 . ASP A 1 140 ? 12.229 9.424 13.304 1.00 87.64 140 A 1 ATOM 1190 N N . GLU A 1 141 ? 6.962 9.633 11.935 1.00 95.67 141 A 1 ATOM 1191 C CA . GLU A 1 141 ? 5.738 10.134 11.301 1.00 94.69 141 A 1 ATOM 1192 C C . GLU A 1 141 ? 4.487 9.890 12.153 1.00 94.77 141 A 1 ATOM 1193 O O . GLU A 1 141 ? 3.581 10.722 12.157 1.00 93.31 141 A 1 ATOM 1194 C CB . GLU A 1 141 ? 5.557 9.500 9.915 1.00 93.92 141 A 1 ATOM 1195 C CG . GLU A 1 141 ? 6.514 10.062 8.851 1.00 88.16 141 A 1 ATOM 1196 C CD . GLU A 1 141 ? 6.329 11.569 8.609 1.00 88.37 141 A 1 ATOM 1197 O OE1 . GLU A 1 141 ? 7.313 12.206 8.186 1.00 79.70 141 A 1 ATOM 1198 O OE2 . GLU A 1 141 ? 5.210 12.093 8.846 1.00 80.62 141 A 1 ATOM 1199 N N . LEU A 1 142 ? 4.434 8.800 12.912 1.00 95.87 142 A 1 ATOM 1200 C CA . LEU A 1 142 ? 3.348 8.538 13.870 1.00 95.02 142 A 1 ATOM 1201 C C . LEU A 1 142 ? 3.278 9.584 14.997 1.00 94.98 142 A 1 ATOM 1202 O O . LEU A 1 142 ? 2.223 9.765 15.595 1.00 93.95 142 A 1 ATOM 1203 C CB . LEU A 1 142 ? 3.512 7.126 14.453 1.00 94.89 142 A 1 ATOM 1204 C CG . LEU A 1 142 ? 3.219 5.988 13.457 1.00 93.98 142 A 1 ATOM 1205 C CD1 . LEU A 1 142 ? 3.665 4.657 14.062 1.00 92.50 142 A 1 ATOM 1206 C CD2 . LEU A 1 142 ? 1.735 5.895 13.104 1.00 93.22 142 A 1 ATOM 1207 N N . LYS A 1 143 ? 4.365 10.310 15.255 1.00 95.24 143 A 1 ATOM 1208 C CA . LYS A 1 143 ? 4.448 11.388 16.260 1.00 94.78 143 A 1 ATOM 1209 C C . LYS A 1 143 ? 4.246 12.784 15.648 1.00 95.32 143 A 1 ATOM 1210 O O . LYS A 1 143 ? 4.381 13.786 16.343 1.00 94.43 143 A 1 ATOM 1211 C CB . LYS A 1 143 ? 5.794 11.275 17.006 1.00 94.31 143 A 1 ATOM 1212 C CG . LYS A 1 143 ? 5.998 9.903 17.685 1.00 93.39 143 A 1 ATOM 1213 C CD . LYS A 1 143 ? 7.459 9.680 18.099 1.00 90.47 143 A 1 ATOM 1214 C CE . LYS A 1 143 ? 7.667 8.196 18.456 1.00 87.05 143 A 1 ATOM 1215 N NZ . LYS A 1 143 ? 9.086 7.756 18.346 1.00 80.07 143 A 1 ATOM 1216 N N . ASN A 1 144 ? 3.937 12.872 14.352 1.00 94.89 144 A 1 ATOM 1217 C CA . ASN A 1 144 ? 3.815 14.132 13.620 1.00 94.13 144 A 1 ATOM 1218 C C . ASN A 1 144 ? 2.516 14.875 13.988 1.00 94.87 144 A 1 ATOM 1219 O O . ASN A 1 144 ? 1.451 14.671 13.403 1.00 94.45 144 A 1 ATOM 1220 C CB . ASN A 1 144 ? 3.955 13.826 12.119 1.00 92.74 144 A 1 ATOM 1221 C CG . ASN A 1 144 ? 4.015 15.068 11.251 1.00 92.06 144 A 1 ATOM 1222 O OD1 . ASN A 1 144 ? 3.569 16.149 11.612 1.00 88.73 144 A 1 ATOM 1223 N ND2 . ASN A 1 144 ? 4.557 14.942 10.062 1.00 87.09 144 A 1 ATOM 1224 N N . GLU A 1 145 ? 2.607 15.794 14.947 1.00 94.95 145 A 1 ATOM 1225 C CA . GLU A 1 145 ? 1.460 16.593 15.398 1.00 95.37 145 A 1 ATOM 1226 C C . GLU A 1 145 ? 0.839 17.461 14.295 1.00 95.72 145 A 1 ATOM 1227 O O . GLU A 1 145 ? -0.364 17.723 14.322 1.00 95.00 145 A 1 ATOM 1228 C CB . GLU A 1 145 ? 1.872 17.548 16.516 1.00 95.44 145 A 1 ATOM 1229 C CG . GLU A 1 145 ? 2.279 16.893 17.836 1.00 89.47 145 A 1 ATOM 1230 C CD . GLU A 1 145 ? 2.478 17.946 18.944 1.00 83.35 145 A 1 ATOM 1231 O OE1 . GLU A 1 145 ? 2.949 17.560 20.033 1.00 76.63 145 A 1 ATOM 1232 O OE2 . GLU A 1 145 ? 2.116 19.139 18.710 1.00 78.43 145 A 1 ATOM 1233 N N . GLU A 1 146 ? 1.638 17.953 13.338 1.00 94.97 146 A 1 ATOM 1234 C CA . GLU A 1 146 ? 1.140 18.792 12.245 1.00 94.18 146 A 1 ATOM 1235 C C . GLU A 1 146 ? 0.205 18.002 11.333 1.00 94.10 146 A 1 ATOM 1236 O O . GLU A 1 146 ? -0.845 18.517 10.944 1.00 93.31 146 A 1 ATOM 1237 C CB . GLU A 1 146 ? 2.290 19.383 11.418 1.00 94.39 146 A 1 ATOM 1238 C CG . GLU A 1 146 ? 3.181 20.339 12.226 1.00 86.43 146 A 1 ATOM 1239 C CD . GLU A 1 146 ? 4.212 21.076 11.352 1.00 79.25 146 A 1 ATOM 1240 O OE1 . GLU A 1 146 ? 4.757 22.085 11.851 1.00 70.61 146 A 1 ATOM 1241 O OE2 . GLU A 1 146 ? 4.431 20.666 10.187 1.00 72.55 146 A 1 ATOM 1242 N N . PHE A 1 147 ? 0.527 16.741 11.067 1.00 93.59 147 A 1 ATOM 1243 C CA . PHE A 1 147 ? -0.338 15.833 10.325 1.00 92.68 147 A 1 ATOM 1244 C C . PHE A 1 147 ? -1.700 15.675 11.014 1.00 93.52 147 A 1 ATOM 1245 O O . PHE A 1 147 ? -2.736 15.874 10.377 1.00 93.64 147 A 1 ATOM 1246 C CB . PHE A 1 147 ? 0.365 14.480 10.143 1.00 92.36 147 A 1 ATOM 1247 C CG . PHE A 1 147 ? -0.539 13.430 9.534 1.00 92.44 147 A 1 ATOM 1248 C CD1 . PHE A 1 147 ? -1.310 12.599 10.366 1.00 90.61 147 A 1 ATOM 1249 C CD2 . PHE A 1 147 ? -0.675 13.346 8.139 1.00 90.93 147 A 1 ATOM 1250 C CE1 . PHE A 1 147 ? -2.231 11.700 9.802 1.00 89.76 147 A 1 ATOM 1251 C CE2 . PHE A 1 147 ? -1.594 12.446 7.577 1.00 89.63 147 A 1 ATOM 1252 C CZ . PHE A 1 147 ? -2.378 11.629 8.410 1.00 89.75 147 A 1 ATOM 1253 N N . TYR A 1 148 ? -1.722 15.391 12.312 1.00 93.93 148 A 1 ATOM 1254 C CA . TYR A 1 148 ? -2.975 15.193 13.047 1.00 94.30 148 A 1 ATOM 1255 C C . TYR A 1 148 ? -3.810 16.473 13.139 1.00 95.49 148 A 1 ATOM 1256 O O . TYR A 1 148 ? -5.027 16.420 12.964 1.00 95.22 148 A 1 ATOM 1257 C CB . TYR A 1 148 ? -2.685 14.613 14.432 1.00 93.68 148 A 1 ATOM 1258 C CG . TYR A 1 148 ? -2.139 13.196 14.387 1.00 93.90 148 A 1 ATOM 1259 C CD1 . TYR A 1 148 ? -2.977 12.122 14.021 1.00 91.37 148 A 1 ATOM 1260 C CD2 . TYR A 1 148 ? -0.788 12.951 14.695 1.00 91.80 148 A 1 ATOM 1261 C CE1 . TYR A 1 148 ? -2.465 10.810 13.963 1.00 90.43 148 A 1 ATOM 1262 C CE2 . TYR A 1 148 ? -0.274 11.642 14.639 1.00 90.78 148 A 1 ATOM 1263 C CZ . TYR A 1 148 ? -1.111 10.569 14.274 1.00 91.64 148 A 1 ATOM 1264 O OH . TYR A 1 148 ? -0.611 9.308 14.221 1.00 89.48 148 A 1 ATOM 1265 N N . LYS A 1 149 ? -3.179 17.638 13.314 1.00 95.26 149 A 1 ATOM 1266 C CA . LYS A 1 149 ? -3.864 18.941 13.273 1.00 96.16 149 A 1 ATOM 1267 C C . LYS A 1 149 ? -4.482 19.214 11.899 1.00 96.54 149 A 1 ATOM 1268 O O . LYS A 1 149 ? -5.623 19.667 11.814 1.00 96.72 149 A 1 ATOM 1269 C CB . LYS A 1 149 ? -2.879 20.062 13.655 1.00 96.72 149 A 1 ATOM 1270 C CG . LYS A 1 149 ? -2.555 20.066 15.159 1.00 92.56 149 A 1 ATOM 1271 C CD . LYS A 1 149 ? -1.361 20.979 15.490 1.00 90.12 149 A 1 ATOM 1272 C CE . LYS A 1 149 ? -0.993 20.805 16.971 1.00 85.19 149 A 1 ATOM 1273 N NZ . LYS A 1 149 ? 0.404 21.214 17.296 1.00 76.73 149 A 1 ATOM 1274 N N . ALA A 1 150 ? -3.759 18.922 10.821 1.00 95.96 150 A 1 ATOM 1275 C CA . ALA A 1 150 ? -4.260 19.082 9.457 1.00 94.52 150 A 1 ATOM 1276 C C . ALA A 1 150 ? -5.423 18.122 9.156 1.00 94.44 150 A 1 ATOM 1277 O O . ALA A 1 150 ? -6.422 18.539 8.566 1.00 93.91 150 A 1 ATOM 1278 C CB . ALA A 1 150 ? -3.096 18.890 8.479 1.00 94.16 150 A 1 ATOM 1279 N N . ARG A 1 151 ? -5.329 16.864 9.606 1.00 94.13 151 A 1 ATOM 1280 C CA . ARG A 1 151 ? -6.400 15.865 9.485 1.00 93.12 151 A 1 ATOM 1281 C C . ARG A 1 151 ? -7.663 16.314 10.219 1.00 93.90 151 A 1 ATOM 1282 O O . ARG A 1 151 ? -8.738 16.286 9.629 1.00 94.39 151 A 1 ATOM 1283 C CB . ARG A 1 151 ? -5.905 14.510 10.004 1.00 92.08 151 A 1 ATOM 1284 C CG . ARG A 1 151 ? -6.977 13.414 9.873 1.00 88.75 151 A 1 ATOM 1285 C CD . ARG A 1 151 ? -6.497 12.102 10.489 1.00 85.26 151 A 1 ATOM 1286 N NE . ARG A 1 151 ? -7.564 11.081 10.522 1.00 78.25 151 A 1 ATOM 1287 C CZ . ARG A 1 151 ? -7.629 10.041 11.335 1.00 74.14 151 A 1 ATOM 1288 N NH1 . ARG A 1 151 ? -6.714 9.789 12.227 1.00 68.99 151 A 1 ATOM 1289 N NH2 . ARG A 1 151 ? -8.626 9.215 11.273 1.00 65.00 151 A 1 ATOM 1290 N N . GLU A 1 152 ? -7.530 16.778 11.452 1.00 94.45 152 A 1 ATOM 1291 C CA . GLU A 1 152 ? -8.660 17.262 12.253 1.00 94.74 152 A 1 ATOM 1292 C C . GLU A 1 152 ? -9.372 18.433 11.579 1.00 95.67 152 A 1 ATOM 1293 O O . GLU A 1 152 ? -10.592 18.417 11.428 1.00 96.15 152 A 1 ATOM 1294 C CB . GLU A 1 152 ? -8.151 17.655 13.655 1.00 94.51 152 A 1 ATOM 1295 C CG . GLU A 1 152 ? -9.276 18.118 14.596 1.00 80.71 152 A 1 ATOM 1296 C CD . GLU A 1 152 ? -10.378 17.056 14.747 1.00 76.07 152 A 1 ATOM 1297 O OE1 . GLU A 1 152 ? -11.559 17.402 14.947 1.00 69.27 152 A 1 ATOM 1298 O OE2 . GLU A 1 152 ? -10.059 15.849 14.647 1.00 70.33 152 A 1 ATOM 1299 N N . LYS A 1 153 ? -8.604 19.406 11.078 1.00 96.17 153 A 1 ATOM 1300 C CA . LYS A 1 153 ? -9.154 20.533 10.321 1.00 96.44 153 A 1 ATOM 1301 C C . LYS A 1 153 ? -9.934 20.067 9.088 1.00 96.71 153 A 1 ATOM 1302 O O . LYS A 1 153 ? -11.056 20.508 8.868 1.00 96.94 153 A 1 ATOM 1303 C CB . LYS A 1 153 ? -8.013 21.484 9.951 1.00 96.95 153 A 1 ATOM 1304 C CG . LYS A 1 153 ? -8.566 22.724 9.250 1.00 90.40 153 A 1 ATOM 1305 C CD . LYS A 1 153 ? -7.447 23.672 8.825 1.00 87.58 153 A 1 ATOM 1306 C CE . LYS A 1 153 ? -8.113 24.781 8.024 1.00 80.92 153 A 1 ATOM 1307 N NZ . LYS A 1 153 ? -7.135 25.678 7.384 1.00 72.32 153 A 1 ATOM 1308 N N . LYS A 1 154 ? -9.372 19.153 8.304 1.00 94.97 154 A 1 ATOM 1309 C CA . LYS A 1 154 ? -10.039 18.591 7.116 1.00 92.75 154 A 1 ATOM 1310 C C . LYS A 1 154 ? -11.329 17.855 7.487 1.00 93.76 154 A 1 ATOM 1311 O O . LYS A 1 154 ? -12.315 17.959 6.762 1.00 94.11 154 A 1 ATOM 1312 C CB . LYS A 1 154 ? -9.054 17.672 6.385 1.00 91.53 154 A 1 ATOM 1313 C CG . LYS A 1 154 ? -9.614 17.144 5.059 1.00 82.32 154 A 1 ATOM 1314 C CD . LYS A 1 154 ? -8.642 16.146 4.428 1.00 79.22 154 A 1 ATOM 1315 C CE . LYS A 1 154 ? -9.253 15.533 3.163 1.00 73.00 154 A 1 ATOM 1316 N NZ . LYS A 1 154 ? -8.481 14.347 2.711 1.00 66.17 154 A 1 ATOM 1317 N N . ARG A 1 155 ? -11.341 17.134 8.605 1.00 93.92 155 A 1 ATOM 1318 C CA . ARG A 1 155 ? -12.530 16.446 9.121 1.00 93.63 155 A 1 ATOM 1319 C C . ARG A 1 155 ? -13.640 17.437 9.468 1.00 95.36 155 A 1 ATOM 1320 O O . ARG A 1 155 ? -14.773 17.229 9.043 1.00 95.84 155 A 1 ATOM 1321 C CB . ARG A 1 155 ? -12.139 15.577 10.325 1.00 92.28 155 A 1 ATOM 1322 C CG . ARG A 1 155 ? -13.315 14.698 10.784 1.00 79.61 155 A 1 ATOM 1323 C CD . ARG A 1 155 ? -12.920 13.796 11.950 1.00 76.81 155 A 1 ATOM 1324 N NE . ARG A 1 155 ? -12.742 14.557 13.201 1.00 68.60 155 A 1 ATOM 1325 C CZ . ARG A 1 155 ? -12.494 14.035 14.392 1.00 62.25 155 A 1 ATOM 1326 N NH1 . ARG A 1 155 ? -12.306 12.760 14.556 1.00 58.08 155 A 1 ATOM 1327 N NH2 . ARG A 1 155 ? -12.439 14.788 15.445 1.00 53.32 155 A 1 ATOM 1328 N N . GLN A 1 156 ? -13.305 18.529 10.149 1.00 96.18 156 A 1 ATOM 1329 C CA . GLN A 1 156 ? -14.258 19.596 10.483 1.00 96.93 156 A 1 ATOM 1330 C C . GLN A 1 156 ? -14.836 20.256 9.226 1.00 97.60 156 A 1 ATOM 1331 O O . GLN A 1 156 ? -16.051 20.390 9.105 1.00 97.95 156 A 1 ATOM 1332 C CB . GLN A 1 156 ? -13.561 20.640 11.363 1.00 97.57 156 A 1 ATOM 1333 C CG . GLN A 1 156 ? -13.264 20.091 12.769 1.00 91.04 156 A 1 ATOM 1334 C CD . GLN A 1 156 ? -12.370 21.000 13.608 1.00 87.14 156 A 1 ATOM 1335 O OE1 . GLN A 1 156 ? -11.960 22.087 13.234 1.00 82.53 156 A 1 ATOM 1336 N NE2 . GLN A 1 156 ? -12.023 20.561 14.796 1.00 79.15 156 A 1 ATOM 1337 N N . GLU A 1 157 ? -13.993 20.591 8.243 1.00 96.01 157 A 1 ATOM 1338 C CA . GLU A 1 157 ? -14.434 21.159 6.960 1.00 95.93 157 A 1 ATOM 1339 C C . GLU A 1 157 ? -15.392 20.213 6.212 1.00 96.50 157 A 1 ATOM 1340 O O . GLU A 1 157 ? -16.378 20.655 5.616 1.00 97.03 157 A 1 ATOM 1341 C CB . GLU A 1 157 ? -13.204 21.461 6.081 1.00 96.81 157 A 1 ATOM 1342 C CG . GLU A 1 157 ? -12.368 22.659 6.566 1.00 93.86 157 A 1 ATOM 1343 C CD . GLU A 1 157 ? -11.044 22.859 5.795 1.00 93.24 157 A 1 ATOM 1344 O OE1 . GLU A 1 157 ? -10.327 23.849 6.092 1.00 87.67 157 A 1 ATOM 1345 O OE2 . GLU A 1 157 ? -10.703 22.029 4.918 1.00 90.25 157 A 1 ATOM 1346 N N . MET A 1 158 ? -15.138 18.910 6.258 1.00 95.68 158 A 1 ATOM 1347 C CA . MET A 1 158 ? -15.997 17.895 5.642 1.00 93.99 158 A 1 ATOM 1348 C C . MET A 1 158 ? -17.331 17.733 6.385 1.00 95.12 158 A 1 ATOM 1349 O O . MET A 1 158 ? -18.374 17.604 5.748 1.00 96.19 158 A 1 ATOM 1350 C CB . MET A 1 158 ? -15.224 16.575 5.565 1.00 91.97 158 A 1 ATOM 1351 C CG . MET A 1 158 ? -15.961 15.519 4.737 1.00 79.64 158 A 1 ATOM 1352 S SD . MET A 1 158 ? -14.983 14.033 4.394 1.00 72.86 158 A 1 ATOM 1353 C CE . MET A 1 158 ? -14.868 13.316 6.058 1.00 63.72 158 A 1 ATOM 1354 N N . GLU A 1 159 ? -17.314 17.777 7.710 1.00 93.74 159 A 1 ATOM 1355 C CA . GLU A 1 159 ? -18.528 17.743 8.533 1.00 94.88 159 A 1 ATOM 1356 C C . GLU A 1 159 ? -19.420 18.963 8.269 1.00 95.99 159 A 1 ATOM 1357 O O . GLU A 1 159 ? -20.616 18.815 8.018 1.00 97.26 159 A 1 ATOM 1358 C CB . GLU A 1 159 ? -18.119 17.628 10.007 1.00 95.99 159 A 1 ATOM 1359 C CG . GLU A 1 159 ? -19.329 17.418 10.929 1.00 82.98 159 A 1 ATOM 1360 C CD . GLU A 1 159 ? -18.935 17.178 12.397 1.00 76.87 159 A 1 ATOM 1361 O OE1 . GLU A 1 159 ? -19.874 16.997 13.206 1.00 70.02 159 A 1 ATOM 1362 O OE2 . GLU A 1 159 ? -17.718 17.154 12.710 1.00 72.58 159 A 1 ATOM 1363 N N . GLU A 1 160 ? -18.835 20.155 8.200 1.00 95.76 160 A 1 ATOM 1364 C CA . GLU A 1 160 ? -19.561 21.372 7.824 1.00 96.11 160 A 1 ATOM 1365 C C . GLU A 1 160 ? -20.170 21.279 6.419 1.00 96.60 160 A 1 ATOM 1366 O O . GLU A 1 160 ? -21.305 21.713 6.199 1.00 97.07 160 A 1 ATOM 1367 C CB . GLU A 1 160 ? -18.616 22.579 7.844 1.00 96.96 160 A 1 ATOM 1368 C CG . GLU A 1 160 ? -18.221 23.057 9.247 1.00 87.31 160 A 1 ATOM 1369 C CD . GLU A 1 160 ? -17.315 24.301 9.189 1.00 82.88 160 A 1 ATOM 1370 O OE1 . GLU A 1 160 ? -16.762 24.669 10.243 1.00 75.18 160 A 1 ATOM 1371 O OE2 . GLU A 1 160 ? -17.229 24.928 8.098 1.00 80.88 160 A 1 ATOM 1372 N N . ALA A 1 161 ? -19.439 20.722 5.457 1.00 97.65 161 A 1 ATOM 1373 C CA . ALA A 1 161 ? -19.940 20.512 4.100 1.00 97.06 161 A 1 ATOM 1374 C C . ALA A 1 161 ? -21.103 19.506 4.068 1.00 97.43 161 A 1 ATOM 1375 O O . ALA A 1 161 ? -22.108 19.760 3.401 1.00 97.59 161 A 1 ATOM 1376 C CB . ALA A 1 161 ? -18.776 20.078 3.204 1.00 97.11 161 A 1 ATOM 1377 N N . ASN A 1 162 ? -21.002 18.415 4.821 1.00 97.28 162 A 1 ATOM 1378 C CA . ASN A 1 162 ? -22.064 17.417 4.946 1.00 96.54 162 A 1 ATOM 1379 C C . ASN A 1 162 ? -23.328 18.002 5.588 1.00 96.92 162 A 1 ATOM 1380 O O . ASN A 1 162 ? -24.427 17.764 5.085 1.00 97.70 162 A 1 ATOM 1381 C CB . ASN A 1 162 ? -21.541 16.219 5.753 1.00 95.77 162 A 1 ATOM 1382 C CG . ASN A 1 162 ? -20.609 15.317 4.959 1.00 87.71 162 A 1 ATOM 1383 O OD1 . ASN A 1 162 ? -20.557 15.323 3.738 1.00 79.34 162 A 1 ATOM 1384 N ND2 . ASN A 1 162 ? -19.877 14.461 5.633 1.00 78.83 162 A 1 ATOM 1385 N N . ASN A 1 163 ? -23.188 18.813 6.627 1.00 96.85 163 A 1 ATOM 1386 C CA . ASN A 1 163 ? -24.316 19.486 7.275 1.00 96.98 163 A 1 ATOM 1387 C C . ASN A 1 163 ? -25.031 20.436 6.305 1.00 97.55 163 A 1 ATOM 1388 O O . ASN A 1 163 ? -26.253 20.364 6.157 1.00 97.84 163 A 1 ATOM 1389 C CB . ASN A 1 163 ? -23.811 20.208 8.536 1.00 97.20 163 A 1 ATOM 1390 C CG . ASN A 1 163 ? -23.420 19.243 9.648 1.00 95.92 163 A 1 ATOM 1391 O OD1 . ASN A 1 163 ? -23.851 18.103 9.693 1.00 90.84 163 A 1 ATOM 1392 N ND2 . ASN A 1 163 ? -22.613 19.677 10.589 1.00 90.95 163 A 1 ATOM 1393 N N . LYS A 1 164 ? -24.280 21.243 5.550 1.00 96.97 164 A 1 ATOM 1394 C CA . LYS A 1 164 ? -24.846 22.108 4.498 1.00 96.63 164 A 1 ATOM 1395 C C . LYS A 1 164 ? -25.558 21.301 3.415 1.00 97.38 164 A 1 ATOM 1396 O O . LYS A 1 164 ? -26.619 21.707 2.942 1.00 98.01 164 A 1 ATOM 1397 C CB . LYS A 1 164 ? -23.737 22.950 3.854 1.00 97.14 164 A 1 ATOM 1398 C CG . LYS A 1 164 ? -23.266 24.077 4.781 1.00 87.47 164 A 1 ATOM 1399 C CD . LYS A 1 164 ? -22.019 24.755 4.202 1.00 82.11 164 A 1 ATOM 1400 C CE . LYS A 1 164 ? -21.507 25.780 5.212 1.00 74.22 164 A 1 ATOM 1401 N NZ . LYS A 1 164 ? -20.116 26.209 4.914 1.00 64.57 164 A 1 ATOM 1402 N N . PHE A 1 165 ? -24.994 20.170 3.013 1.00 97.35 165 A 1 ATOM 1403 C CA . PHE A 1 165 ? -25.630 19.286 2.043 1.00 96.64 165 A 1 ATOM 1404 C C . PHE A 1 165 ? -26.945 18.705 2.584 1.00 96.86 165 A 1 ATOM 1405 O O . PHE A 1 165 ? -27.950 18.721 1.872 1.00 97.73 165 A 1 ATOM 1406 C CB . PHE A 1 165 ? -24.647 18.186 1.625 1.00 96.51 165 A 1 ATOM 1407 C CG . PHE A 1 165 ? -25.225 17.257 0.577 1.00 90.76 165 A 1 ATOM 1408 C CD1 . PHE A 1 165 ? -25.766 16.009 0.949 1.00 83.37 165 A 1 ATOM 1409 C CD2 . PHE A 1 165 ? -25.262 17.657 -0.772 1.00 85.83 165 A 1 ATOM 1410 C CE1 . PHE A 1 165 ? -26.334 15.165 -0.021 1.00 79.83 165 A 1 ATOM 1411 C CE2 . PHE A 1 165 ? -25.832 16.814 -1.744 1.00 81.89 165 A 1 ATOM 1412 C CZ . PHE A 1 165 ? -26.367 15.567 -1.368 1.00 77.61 165 A 1 ATOM 1413 N N . ALA A 1 166 ? -26.973 18.267 3.837 1.00 96.87 166 A 1 ATOM 1414 C CA . ALA A 1 166 ? -28.184 17.768 4.492 1.00 96.79 166 A 1 ATOM 1415 C C . ALA A 1 166 ? -29.293 18.836 4.552 1.00 97.15 166 A 1 ATOM 1416 O O . ALA A 1 166 ? -30.439 18.547 4.211 1.00 97.39 166 A 1 ATOM 1417 C CB . ALA A 1 166 ? -27.805 17.245 5.884 1.00 96.92 166 A 1 ATOM 1418 N N . GLU A 1 167 ? -28.953 20.079 4.877 1.00 96.18 167 A 1 ATOM 1419 C CA . GLU A 1 167 ? -29.902 21.206 4.856 1.00 95.84 167 A 1 ATOM 1420 C C . GLU A 1 167 ? -30.481 21.462 3.455 1.00 95.97 167 A 1 ATOM 1421 O O . GLU A 1 167 ? -31.679 21.724 3.304 1.00 96.74 167 A 1 ATOM 1422 C CB . GLU A 1 167 ? -29.199 22.491 5.315 1.00 96.50 167 A 1 ATOM 1423 C CG . GLU A 1 167 ? -28.877 22.545 6.818 1.00 86.84 167 A 1 ATOM 1424 C CD . GLU A 1 167 ? -28.110 23.827 7.200 1.00 83.39 167 A 1 ATOM 1425 O OE1 . GLU A 1 167 ? -27.704 23.937 8.374 1.00 75.31 167 A 1 ATOM 1426 O OE2 . GLU A 1 167 ? -27.943 24.716 6.322 1.00 79.45 167 A 1 ATOM 1427 N N . ILE A 1 168 ? -29.640 21.389 2.415 1.00 96.83 168 A 1 ATOM 1428 C CA . ILE A 1 168 ? -30.086 21.549 1.022 1.00 95.92 168 A 1 ATOM 1429 C C . ILE A 1 168 ? -31.042 20.419 0.631 1.00 96.36 168 A 1 ATOM 1430 O O . ILE A 1 168 ? -32.079 20.692 0.025 1.00 97.46 168 A 1 ATOM 1431 C CB . ILE A 1 168 ? -28.874 21.640 0.062 1.00 96.41 168 A 1 ATOM 1432 C CG1 . ILE A 1 168 ? -28.132 22.979 0.273 1.00 95.09 168 A 1 ATOM 1433 C CG2 . ILE A 1 168 ? -29.309 21.516 -1.412 1.00 95.50 168 A 1 ATOM 1434 C CD1 . ILE A 1 168 ? -26.741 23.019 -0.372 1.00 88.72 168 A 1 ATOM 1435 N N . MET A 1 169 ? -30.721 19.175 0.987 1.00 95.12 169 A 1 ATOM 1436 C CA . MET A 1 169 ? -31.577 18.016 0.721 1.00 93.30 169 A 1 ATOM 1437 C C . MET A 1 169 ? -32.932 18.147 1.423 1.00 93.60 169 A 1 ATOM 1438 O O . MET A 1 169 ? -33.963 17.982 0.773 1.00 96.29 169 A 1 ATOM 1439 C CB . MET A 1 169 ? -30.863 16.724 1.149 1.00 94.19 169 A 1 ATOM 1440 C CG . MET A 1 169 ? -29.721 16.336 0.193 1.00 84.56 169 A 1 ATOM 1441 S SD . MET A 1 169 ? -30.188 16.018 -1.536 1.00 76.90 169 A 1 ATOM 1442 C CE . MET A 1 169 ? -31.405 14.691 -1.328 1.00 65.85 169 A 1 ATOM 1443 N N . GLN A 1 170 ? -32.943 18.531 2.687 1.00 95.32 170 A 1 ATOM 1444 C CA . GLN A 1 170 ? -34.181 18.758 3.433 1.00 94.40 170 A 1 ATOM 1445 C C . GLN A 1 170 ? -35.063 19.828 2.765 1.00 94.59 170 A 1 ATOM 1446 O O . GLN A 1 170 ? -36.259 19.613 2.561 1.00 95.98 170 A 1 ATOM 1447 C CB . GLN A 1 170 ? -33.829 19.137 4.876 1.00 95.87 170 A 1 ATOM 1448 C CG . GLN A 1 170 ? -35.105 19.273 5.721 1.00 86.60 170 A 1 ATOM 1449 C CD . GLN A 1 170 ? -34.847 19.677 7.163 1.00 79.86 170 A 1 ATOM 1450 O OE1 . GLN A 1 170 ? -33.739 19.738 7.668 1.00 73.95 170 A 1 ATOM 1451 N NE2 . GLN A 1 170 ? -35.906 19.972 7.886 1.00 70.08 170 A 1 ATOM 1452 N N . ARG A 1 171 ? -34.475 20.947 2.348 1.00 95.23 171 A 1 ATOM 1453 C CA . ARG A 1 171 ? -35.201 21.994 1.609 1.00 94.01 171 A 1 ATOM 1454 C C . ARG A 1 171 ? -35.744 21.503 0.268 1.00 95.07 171 A 1 ATOM 1455 O O . ARG A 1 171 ? -36.844 21.896 -0.120 1.00 96.15 171 A 1 ATOM 1456 C CB . ARG A 1 171 ? -34.274 23.188 1.361 1.00 95.61 171 A 1 ATOM 1457 C CG . ARG A 1 171 ? -34.163 24.079 2.597 1.00 86.66 171 A 1 ATOM 1458 C CD . ARG A 1 171 ? -33.166 25.200 2.297 1.00 81.97 171 A 1 ATOM 1459 N NE . ARG A 1 171 ? -33.481 26.400 3.079 1.00 73.09 171 A 1 ATOM 1460 C CZ . ARG A 1 171 ? -32.873 27.567 2.993 1.00 66.28 171 A 1 ATOM 1461 N NH1 . ARG A 1 171 ? -31.833 27.745 2.225 1.00 59.73 171 A 1 ATOM 1462 N NH2 . ARG A 1 171 ? -33.320 28.590 3.677 1.00 56.65 171 A 1 ATOM 1463 N N . ALA A 1 172 ? -34.985 20.681 -0.447 1.00 96.43 172 A 1 ATOM 1464 C CA . ALA A 1 172 ? -35.446 20.091 -1.699 1.00 95.07 172 A 1 ATOM 1465 C C . ALA A 1 172 ? -36.656 19.170 -1.470 1.00 95.16 172 A 1 ATOM 1466 O O . ALA A 1 172 ? -37.637 19.268 -2.211 1.00 96.24 172 A 1 ATOM 1467 C CB . ALA A 1 172 ? -34.275 19.363 -2.372 1.00 95.78 172 A 1 ATOM 1468 N N . ASP A 1 173 ? -36.625 18.348 -0.428 1.00 96.37 173 A 1 ATOM 1469 C CA . ASP A 1 173 ? -37.732 17.466 -0.051 1.00 95.55 173 A 1 ATOM 1470 C C . ASP A 1 173 ? -38.989 18.261 0.344 1.00 95.48 173 A 1 ATOM 1471 O O . ASP A 1 173 ? -40.086 17.939 -0.119 1.00 96.08 173 A 1 ATOM 1472 C CB . ASP A 1 173 ? -37.292 16.525 1.083 1.00 95.72 173 A 1 ATOM 1473 C CG . ASP A 1 173 ? -36.328 15.414 0.637 1.00 92.70 173 A 1 ATOM 1474 O OD1 . ASP A 1 173 ? -36.307 15.085 -0.574 1.00 88.24 173 A 1 ATOM 1475 O OD2 . ASP A 1 173 ? -35.661 14.840 1.528 1.00 89.73 173 A 1 ATOM 1476 N N . GLU A 1 174 ? -38.848 19.338 1.105 1.00 94.80 174 A 1 ATOM 1477 C CA . GLU A 1 174 ? -39.951 20.250 1.458 1.00 94.04 174 A 1 ATOM 1478 C C . GLU A 1 174 ? -40.597 20.884 0.212 1.00 94.17 174 A 1 ATOM 1479 O O . GLU A 1 174 ? -41.824 20.911 0.079 1.00 95.19 174 A 1 ATOM 1480 C CB . GLU A 1 174 ? -39.433 21.358 2.393 1.00 94.97 174 A 1 ATOM 1481 C CG . GLU A 1 174 ? -39.151 20.880 3.831 1.00 87.48 174 A 1 ATOM 1482 C CD . GLU A 1 174 ? -38.429 21.933 4.701 1.00 84.34 174 A 1 ATOM 1483 O OE1 . GLU A 1 174 ? -37.981 21.568 5.817 1.00 77.66 174 A 1 ATOM 1484 O OE2 . GLU A 1 174 ? -38.301 23.102 4.255 1.00 81.06 174 A 1 ATOM 1485 N N . ILE A 1 175 ? -39.780 21.339 -0.744 1.00 95.68 175 A 1 ATOM 1486 C CA . ILE A 1 175 ? -40.279 21.901 -2.011 1.00 93.97 175 A 1 ATOM 1487 C C . ILE A 1 175 ? -41.025 20.832 -2.821 1.00 94.08 175 A 1 ATOM 1488 O O . ILE A 1 175 ? -42.118 21.092 -3.329 1.00 95.21 175 A 1 ATOM 1489 C CB . ILE A 1 175 ? -39.119 22.528 -2.821 1.00 95.30 175 A 1 ATOM 1490 C CG1 . ILE A 1 175 ? -38.606 23.809 -2.122 1.00 94.84 175 A 1 ATOM 1491 C CG2 . ILE A 1 175 ? -39.551 22.867 -4.264 1.00 95.21 175 A 1 ATOM 1492 C CD1 . ILE A 1 175 ? -37.242 24.288 -2.639 1.00 90.24 175 A 1 ATOM 1493 N N . LEU A 1 176 ? -40.459 19.621 -2.931 1.00 95.24 176 A 1 ATOM 1494 C CA . LEU A 1 176 ? -41.079 18.510 -3.659 1.00 92.65 176 A 1 ATOM 1495 C C . LEU A 1 176 ? -42.378 18.023 -3.006 1.00 91.74 176 A 1 ATOM 1496 O O . LEU A 1 176 ? -43.267 17.548 -3.716 1.00 94.41 176 A 1 ATOM 1497 C CB . LEU A 1 176 ? -40.081 17.343 -3.750 1.00 94.04 176 A 1 ATOM 1498 C CG . LEU A 1 176 ? -38.928 17.555 -4.749 1.00 87.78 176 A 1 ATOM 1499 C CD1 . LEU A 1 176 ? -37.919 16.416 -4.587 1.00 83.73 176 A 1 ATOM 1500 C CD2 . LEU A 1 176 ? -39.417 17.561 -6.199 1.00 86.94 176 A 1 ATOM 1501 N N . TRP A 1 177 ? -42.484 18.095 -1.680 1.00 95.09 177 A 1 ATOM 1502 C CA . TRP A 1 177 ? -43.703 17.781 -0.944 1.00 93.47 177 A 1 ATOM 1503 C C . TRP A 1 177 ? -44.810 18.791 -1.251 1.00 93.41 177 A 1 ATOM 1504 O O . TRP A 1 177 ? -45.884 18.392 -1.700 1.00 91.86 177 A 1 ATOM 1505 C CB . TRP A 1 177 ? -43.391 17.716 0.553 1.00 92.96 177 A 1 ATOM 1506 C CG . TRP A 1 177 ? -44.574 17.315 1.368 1.00 82.31 177 A 1 ATOM 1507 C CD1 . TRP A 1 177 ? -45.507 18.148 1.876 1.00 73.65 177 A 1 ATOM 1508 C CD2 . TRP A 1 177 ? -45.009 15.962 1.710 1.00 78.20 177 A 1 ATOM 1509 N NE1 . TRP A 1 177 ? -46.492 17.413 2.507 1.00 67.81 177 A 1 ATOM 1510 C CE2 . TRP A 1 177 ? -46.237 16.056 2.431 1.00 72.87 177 A 1 ATOM 1511 C CE3 . TRP A 1 177 ? -44.494 14.667 1.470 1.00 66.44 177 A 1 ATOM 1512 C CZ2 . TRP A 1 177 ? -46.924 14.925 2.891 1.00 72.49 177 A 1 ATOM 1513 C CZ3 . TRP A 1 177 ? -45.172 13.523 1.928 1.00 65.34 177 A 1 ATOM 1514 C CH2 . TRP A 1 177 ? -46.385 13.645 2.636 1.00 65.38 177 A 1 ATOM 1515 N N . ASN A 1 178 ? -44.510 20.082 -1.144 1.00 92.58 178 A 1 ATOM 1516 C CA . ASN A 1 178 ? -45.474 21.149 -1.428 1.00 90.05 178 A 1 ATOM 1517 C C . ASN A 1 178 ? -45.989 21.107 -2.877 1.00 89.77 178 A 1 ATOM 1518 O O . ASN A 1 178 ? -47.177 21.301 -3.112 1.00 89.65 178 A 1 ATOM 1519 C CB . ASN A 1 178 ? -44.810 22.499 -1.114 1.00 91.36 178 A 1 ATOM 1520 C CG . ASN A 1 178 ? -44.529 22.708 0.366 1.00 89.21 178 A 1 ATOM 1521 O OD1 . ASN A 1 178 ? -45.105 22.110 1.254 1.00 81.73 178 A 1 ATOM 1522 N ND2 . ASN A 1 178 ? -43.622 23.597 0.697 1.00 81.79 178 A 1 ATOM 1523 N N . LEU A 1 179 ? -45.130 20.769 -3.843 1.00 92.89 179 A 1 ATOM 1524 C CA . LEU A 1 179 ? -45.518 20.606 -5.255 1.00 89.40 179 A 1 ATOM 1525 C C . LEU A 1 179 ? -46.403 19.376 -5.539 1.00 88.09 179 A 1 ATOM 1526 O O . LEU A 1 179 ? -46.898 19.237 -6.659 1.00 88.26 179 A 1 ATOM 1527 C CB . LEU A 1 179 ? -44.245 20.523 -6.119 1.00 91.56 179 A 1 ATOM 1528 C CG . LEU A 1 179 ? -43.482 21.849 -6.292 1.00 87.10 179 A 1 ATOM 1529 C CD1 . LEU A 1 179 ? -42.143 21.562 -6.977 1.00 81.53 179 A 1 ATOM 1530 C CD2 . LEU A 1 179 ? -44.251 22.847 -7.157 1.00 84.59 179 A 1 ATOM 1531 N N . LYS A 1 180 ? -46.545 18.446 -4.593 1.00 91.64 180 A 1 ATOM 1532 C CA . LYS A 1 180 ? -47.422 17.270 -4.725 1.00 88.74 180 A 1 ATOM 1533 C C . LYS A 1 180 ? -48.803 17.487 -4.103 1.00 86.75 180 A 1 ATOM 1534 O O . LYS A 1 180 ? -49.691 16.675 -4.370 1.00 85.87 180 A 1 ATOM 1535 C CB . LYS A 1 180 ? -46.766 16.049 -4.075 1.00 88.10 180 A 1 ATOM 1536 C CG . LYS A 1 180 ? -45.648 15.438 -4.924 1.00 83.85 180 A 1 ATOM 1537 C CD . LYS A 1 180 ? -45.012 14.294 -4.129 1.00 76.98 180 A 1 ATOM 1538 C CE . LYS A 1 180 ? -43.867 13.663 -4.923 1.00 73.64 180 A 1 ATOM 1539 N NZ . LYS A 1 180 ? -43.194 12.619 -4.112 1.00 64.41 180 A 1 ATOM 1540 N N . GLU A 1 181 ? -48.951 18.494 -3.262 1.00 88.57 181 A 1 ATOM 1541 C CA . GLU A 1 181 ? -50.216 18.849 -2.606 1.00 88.70 181 A 1 ATOM 1542 C C . GLU A 1 181 ? -51.040 19.889 -3.397 1.00 86.75 181 A 1 ATOM 1543 O O . GLU A 1 181 ? -52.236 20.019 -3.132 1.00 80.76 181 A 1 ATOM 1544 C CB . GLU A 1 181 ? -49.960 19.292 -1.158 1.00 86.43 181 A 1 ATOM 1545 C CG . GLU A 1 181 ? -49.464 18.130 -0.272 1.00 81.77 181 A 1 ATOM 1546 C CD . GLU A 1 181 ? -49.536 18.412 1.242 1.00 73.83 181 A 1 ATOM 1547 O OE1 . GLU A 1 181 ? -49.650 17.413 2.001 1.00 69.83 181 A 1 ATOM 1548 O OE2 . GLU A 1 181 ? -49.488 19.593 1.656 1.00 71.45 181 A 1 ATOM 1549 N N . ASP A 1 182 ? -50.427 20.554 -4.385 1.00 91.13 182 A 1 ATOM 1550 C CA . ASP A 1 182 ? -51.091 21.406 -5.398 1.00 89.72 182 A 1 ATOM 1551 C C . ASP A 1 182 ? -51.541 20.570 -6.630 1.00 84.71 182 A 1 ATOM 1552 O O . ASP A 1 182 ? -52.633 20.888 -7.171 1.00 77.75 182 A 1 ATOM 1553 C CB . ASP A 1 182 ? -50.123 22.529 -5.845 1.00 85.73 182 A 1 ATOM 1554 C CG . ASP A 1 182 ? -49.885 23.688 -4.855 1.00 80.87 182 A 1 ATOM 1555 O OD1 . ASP A 1 182 ? -50.762 23.985 -4.010 1.00 76.76 182 A 1 ATOM 1556 O OD2 . ASP A 1 182 ? -48.836 24.372 -5.024 1.00 77.07 182 A 1 ATOM 1557 O OXT . ASP A 1 182 ? -50.789 19.679 -7.035 1.00 76.00 182 A 1 #