# 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_acrva3 # _entry.id acrva3 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n VAL 2 1 n GLY 3 1 n LYS 4 1 n SER 5 1 n LYS 6 1 n ILE 7 1 n ASP 8 1 n TRP 9 1 n GLN 10 1 n SER 11 1 n ILE 12 1 n ASP 13 1 n TRP 14 1 n THR 15 1 n LYS 16 1 n THR 17 1 n ASN 18 1 n ALA 19 1 n GLN 20 1 n ILE 21 1 n ALA 22 1 n GLN 23 1 n GLU 24 1 n CYS 25 1 n GLY 26 1 n ARG 27 1 n ALA 28 1 n TYR 29 1 n ASN 30 1 n THR 31 1 n VAL 32 1 n CYS 33 1 n LYS 34 1 n MET 35 1 n ARG 36 1 n GLY 37 1 n LYS 38 1 n LEU 39 1 n GLY 40 1 n LYS 41 1 n SER 42 1 n HIS 43 1 n GLN 44 1 n GLY 45 1 n ALA 46 1 n LYS 47 1 n SER 48 1 n PRO 49 1 n ARG 50 1 n LYS 51 1 n ASP 52 1 n LYS 53 1 n GLY 54 1 n ILE 55 1 n SER 56 1 n ARG 57 1 n PRO 58 1 n GLN 59 1 n PRO 60 1 n HIS 61 1 n LEU 62 1 n ASN 63 1 n ARG 64 1 n LEU 65 1 n GLU 66 1 n TYR 67 1 n GLN 68 1 n ALA 69 1 n LEU 70 1 n ALA 71 1 n THR 72 1 n ALA 73 1 n LYS 74 1 n ALA 75 1 n LYS 76 1 n ALA 77 1 n SER 78 1 n PRO 79 1 n LYS 80 1 n ALA 81 1 n GLY 82 1 n ARG 83 1 n PHE 84 1 n GLU 85 1 n THR 86 1 n ASN 87 1 n THR 88 1 n LYS 89 1 n ALA 90 1 n LYS 91 1 n THR 92 1 n TRP 93 1 n THR 94 1 n LEU 95 1 n LYS 96 1 n SER 97 1 n PRO 98 1 n ASP 99 1 n ASN 100 1 n LYS 101 1 n THR 102 1 n TYR 103 1 n THR 104 1 n PHE 105 1 n THR 106 1 n ASN 107 1 n LEU 108 1 n MET 109 1 n HIS 110 1 n PHE 111 1 n VAL 112 1 n ARG 113 1 n THR 114 1 n ASN 115 1 n PRO 116 1 n HIS 117 1 n LEU 118 1 n PHE 119 1 n ASP 120 1 n PRO 121 1 n ASP 122 1 n ASP 123 1 n VAL 124 1 n VAL 125 1 n TRP 126 1 n ARG 127 1 n THR 128 1 n LYS 129 1 n SER 130 1 n ASN 131 1 n GLY 132 1 n VAL 133 1 n GLU 134 1 n TRP 135 1 n CYS 136 1 n ARG 137 1 n ALA 138 1 n SER 139 1 n SER 140 1 n GLY 141 1 n LEU 142 1 n ALA 143 1 n LEU 144 1 n LEU 145 1 n ALA 146 1 n LYS 147 1 n ARG 148 1 n LYS 149 1 n LYS 150 1 n ALA 151 1 n PRO 152 1 n LEU 153 1 n SER 154 1 n TRP 155 1 n LYS 156 1 n GLY 157 1 n TRP 158 1 n ARG 159 1 n LEU 160 1 n ILE 161 1 n SER 162 1 n LEU 163 1 n THR 164 1 n LYS 165 1 n ASP 166 1 n ASN 167 1 n LYS 168 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:35:25)" _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 85.43 _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 43.78 1 1 A VAL 2 2 55.09 1 2 A GLY 3 2 66.17 1 3 A LYS 4 2 67.30 1 4 A SER 5 2 77.50 1 5 A LYS 6 2 77.63 1 6 A ILE 7 2 87.87 1 7 A ASP 8 2 89.41 1 8 A TRP 9 2 93.22 1 9 A GLN 10 2 88.15 1 10 A SER 11 2 91.68 1 11 A ILE 12 2 90.49 1 12 A ASP 13 2 91.84 1 13 A TRP 14 2 93.53 1 14 A THR 15 2 91.64 1 15 A LYS 16 2 90.43 1 16 A THR 17 2 90.65 1 17 A ASN 18 2 88.33 1 18 A ALA 19 2 90.61 1 19 A GLN 20 2 87.91 1 20 A ILE 21 2 92.41 1 21 A ALA 22 2 93.11 1 22 A GLN 23 2 86.43 1 23 A GLU 24 2 89.09 1 24 A CYS 25 2 89.38 1 25 A GLY 26 2 92.58 1 26 A ARG 27 2 88.07 1 27 A ALA 28 2 93.52 1 28 A TYR 29 2 87.28 1 29 A ASN 30 2 88.13 1 30 A THR 31 2 93.19 1 31 A VAL 32 2 93.03 1 32 A CYS 33 2 90.57 1 33 A LYS 34 2 87.38 1 34 A MET 35 2 91.75 1 35 A ARG 36 2 91.75 1 36 A GLY 37 2 94.05 1 37 A LYS 38 2 87.83 1 38 A LEU 39 2 92.06 1 39 A GLY 40 2 93.64 1 40 A LYS 41 2 88.42 1 41 A SER 42 2 86.24 1 42 A HIS 43 2 81.93 1 43 A GLN 44 2 82.10 1 44 A GLY 45 2 83.06 1 45 A ALA 46 2 79.59 1 46 A LYS 47 2 71.49 1 47 A SER 48 2 77.12 1 48 A PRO 49 2 78.99 1 49 A ARG 50 2 69.56 1 50 A LYS 51 2 72.68 1 51 A ASP 52 2 77.31 1 52 A LYS 53 2 75.66 1 53 A GLY 54 2 81.10 1 54 A ILE 55 2 74.94 1 55 A SER 56 2 72.99 1 56 A ARG 57 2 63.27 1 57 A PRO 58 2 70.00 1 58 A GLN 59 2 66.72 1 59 A PRO 60 2 69.08 1 60 A HIS 61 2 68.43 1 61 A LEU 62 2 69.83 1 62 A ASN 63 2 69.23 1 63 A ARG 64 2 67.25 1 64 A LEU 65 2 79.82 1 65 A GLU 66 2 76.84 1 66 A TYR 67 2 77.43 1 67 A GLN 68 2 76.20 1 68 A ALA 69 2 86.45 1 69 A LEU 70 2 82.41 1 70 A ALA 71 2 87.44 1 71 A THR 72 2 85.04 1 72 A ALA 73 2 90.35 1 73 A LYS 74 2 83.43 1 74 A ALA 75 2 89.81 1 75 A LYS 76 2 85.33 1 76 A ALA 77 2 91.58 1 77 A SER 78 2 87.91 1 78 A PRO 79 2 90.50 1 79 A LYS 80 2 82.33 1 80 A ALA 81 2 87.30 1 81 A GLY 82 2 87.62 1 82 A ARG 83 2 77.68 1 83 A PHE 84 2 86.38 1 84 A GLU 85 2 79.67 1 85 A THR 86 2 85.72 1 86 A ASN 87 2 83.43 1 87 A THR 88 2 83.93 1 88 A LYS 89 2 80.16 1 89 A ALA 90 2 88.81 1 90 A LYS 91 2 86.50 1 91 A THR 92 2 91.25 1 92 A TRP 93 2 94.30 1 93 A THR 94 2 93.59 1 94 A LEU 95 2 94.57 1 95 A LYS 96 2 90.13 1 96 A SER 97 2 95.60 1 97 A PRO 98 2 94.97 1 98 A ASP 99 2 90.92 1 99 A ASN 100 2 90.98 1 100 A LYS 101 2 90.47 1 101 A THR 102 2 94.97 1 102 A TYR 103 2 95.73 1 103 A THR 104 2 93.46 1 104 A PHE 105 2 94.18 1 105 A THR 106 2 88.60 1 106 A ASN 107 2 90.84 1 107 A LEU 108 2 93.96 1 108 A MET 109 2 88.51 1 109 A HIS 110 2 90.33 1 110 A PHE 111 2 95.74 1 111 A VAL 112 2 96.33 1 112 A ARG 113 2 87.13 1 113 A THR 114 2 93.20 1 114 A ASN 115 2 94.37 1 115 A PRO 116 2 97.08 1 116 A HIS 117 2 94.95 1 117 A LEU 118 2 95.95 1 118 A PHE 119 2 96.31 1 119 A ASP 120 2 92.87 1 120 A PRO 121 2 96.98 1 121 A ASP 122 2 92.34 1 122 A ASP 123 2 95.44 1 123 A VAL 124 2 95.56 1 124 A VAL 125 2 96.43 1 125 A TRP 126 2 95.14 1 126 A ARG 127 2 86.46 1 127 A THR 128 2 90.71 1 128 A LYS 129 2 86.43 1 129 A SER 130 2 85.97 1 130 A ASN 131 2 82.35 1 131 A GLY 132 2 84.70 1 132 A VAL 133 2 87.04 1 133 A GLU 134 2 84.27 1 134 A TRP 135 2 93.56 1 135 A CYS 136 2 96.02 1 136 A ARG 137 2 88.33 1 137 A ALA 138 2 96.92 1 138 A SER 139 2 94.89 1 139 A SER 140 2 93.21 1 140 A GLY 141 2 95.12 1 141 A LEU 142 2 94.79 1 142 A ALA 143 2 94.31 1 143 A LEU 144 2 89.90 1 144 A LEU 145 2 91.22 1 145 A ALA 146 2 88.63 1 146 A LYS 147 2 77.70 1 147 A ARG 148 2 65.91 1 148 A LYS 149 2 72.44 1 149 A LYS 150 2 72.65 1 150 A ALA 151 2 80.19 1 151 A PRO 152 2 84.09 1 152 A LEU 153 2 80.84 1 153 A SER 154 2 91.20 1 154 A TRP 155 2 94.04 1 155 A LYS 156 2 92.12 1 156 A GLY 157 2 95.34 1 157 A TRP 158 2 95.60 1 158 A ARG 159 2 83.72 1 159 A LEU 160 2 91.90 1 160 A ILE 161 2 90.85 1 161 A SER 162 2 90.02 1 162 A LEU 163 2 84.76 1 163 A THR 164 2 82.31 1 164 A LYS 165 2 70.17 1 165 A ASP 166 2 68.37 1 166 A ASN 167 2 56.89 1 167 A LYS 168 2 50.54 1 168 # _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 VAL . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ASP . 8 A 8 A 9 1 n TRP . 9 A 9 A 10 1 n GLN . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ASP . 13 A 13 A 14 1 n TRP . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n LYS . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n GLN . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n GLN . 23 A 23 A 24 1 n GLU . 24 A 24 A 25 1 n CYS . 25 A 25 A 26 1 n GLY . 26 A 26 A 27 1 n ARG . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n THR . 31 A 31 A 32 1 n VAL . 32 A 32 A 33 1 n CYS . 33 A 33 A 34 1 n LYS . 34 A 34 A 35 1 n MET . 35 A 35 A 36 1 n ARG . 36 A 36 A 37 1 n GLY . 37 A 37 A 38 1 n LYS . 38 A 38 A 39 1 n LEU . 39 A 39 A 40 1 n GLY . 40 A 40 A 41 1 n LYS . 41 A 41 A 42 1 n SER . 42 A 42 A 43 1 n HIS . 43 A 43 A 44 1 n GLN . 44 A 44 A 45 1 n GLY . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n SER . 48 A 48 A 49 1 n PRO . 49 A 49 A 50 1 n ARG . 50 A 50 A 51 1 n LYS . 51 A 51 A 52 1 n ASP . 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 SER . 56 A 56 A 57 1 n ARG . 57 A 57 A 58 1 n PRO . 58 A 58 A 59 1 n GLN . 59 A 59 A 60 1 n PRO . 60 A 60 A 61 1 n HIS . 61 A 61 A 62 1 n LEU . 62 A 62 A 63 1 n ASN . 63 A 63 A 64 1 n ARG . 64 A 64 A 65 1 n LEU . 65 A 65 A 66 1 n GLU . 66 A 66 A 67 1 n TYR . 67 A 67 A 68 1 n GLN . 68 A 68 A 69 1 n ALA . 69 A 69 A 70 1 n LEU . 70 A 70 A 71 1 n ALA . 71 A 71 A 72 1 n THR . 72 A 72 A 73 1 n ALA . 73 A 73 A 74 1 n LYS . 74 A 74 A 75 1 n ALA . 75 A 75 A 76 1 n LYS . 76 A 76 A 77 1 n ALA . 77 A 77 A 78 1 n SER . 78 A 78 A 79 1 n PRO . 79 A 79 A 80 1 n LYS . 80 A 80 A 81 1 n ALA . 81 A 81 A 82 1 n GLY . 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 THR . 86 A 86 A 87 1 n ASN . 87 A 87 A 88 1 n THR . 88 A 88 A 89 1 n LYS . 89 A 89 A 90 1 n ALA . 90 A 90 A 91 1 n LYS . 91 A 91 A 92 1 n THR . 92 A 92 A 93 1 n TRP . 93 A 93 A 94 1 n THR . 94 A 94 A 95 1 n LEU . 95 A 95 A 96 1 n LYS . 96 A 96 A 97 1 n SER . 97 A 97 A 98 1 n PRO . 98 A 98 A 99 1 n ASP . 99 A 99 A 100 1 n ASN . 100 A 100 A 101 1 n LYS . 101 A 101 A 102 1 n THR . 102 A 102 A 103 1 n TYR . 103 A 103 A 104 1 n THR . 104 A 104 A 105 1 n PHE . 105 A 105 A 106 1 n THR . 106 A 106 A 107 1 n ASN . 107 A 107 A 108 1 n LEU . 108 A 108 A 109 1 n MET . 109 A 109 A 110 1 n HIS . 110 A 110 A 111 1 n PHE . 111 A 111 A 112 1 n VAL . 112 A 112 A 113 1 n ARG . 113 A 113 A 114 1 n THR . 114 A 114 A 115 1 n ASN . 115 A 115 A 116 1 n PRO . 116 A 116 A 117 1 n HIS . 117 A 117 A 118 1 n LEU . 118 A 118 A 119 1 n PHE . 119 A 119 A 120 1 n ASP . 120 A 120 A 121 1 n PRO . 121 A 121 A 122 1 n ASP . 122 A 122 A 123 1 n ASP . 123 A 123 A 124 1 n VAL . 124 A 124 A 125 1 n VAL . 125 A 125 A 126 1 n TRP . 126 A 126 A 127 1 n ARG . 127 A 127 A 128 1 n THR . 128 A 128 A 129 1 n LYS . 129 A 129 A 130 1 n SER . 130 A 130 A 131 1 n ASN . 131 A 131 A 132 1 n GLY . 132 A 132 A 133 1 n VAL . 133 A 133 A 134 1 n GLU . 134 A 134 A 135 1 n TRP . 135 A 135 A 136 1 n CYS . 136 A 136 A 137 1 n ARG . 137 A 137 A 138 1 n ALA . 138 A 138 A 139 1 n SER . 139 A 139 A 140 1 n SER . 140 A 140 A 141 1 n GLY . 141 A 141 A 142 1 n LEU . 142 A 142 A 143 1 n ALA . 143 A 143 A 144 1 n LEU . 144 A 144 A 145 1 n LEU . 145 A 145 A 146 1 n ALA . 146 A 146 A 147 1 n LYS . 147 A 147 A 148 1 n ARG . 148 A 148 A 149 1 n LYS . 149 A 149 A 150 1 n LYS . 150 A 150 A 151 1 n ALA . 151 A 151 A 152 1 n PRO . 152 A 152 A 153 1 n LEU . 153 A 153 A 154 1 n SER . 154 A 154 A 155 1 n TRP . 155 A 155 A 156 1 n LYS . 156 A 156 A 157 1 n GLY . 157 A 157 A 158 1 n TRP . 158 A 158 A 159 1 n ARG . 159 A 159 A 160 1 n LEU . 160 A 160 A 161 1 n ILE . 161 A 161 A 162 1 n SER . 162 A 162 A 163 1 n LEU . 163 A 163 A 164 1 n THR . 164 A 164 A 165 1 n LYS . 165 A 165 A 166 1 n ASP . 166 A 166 A 167 1 n ASN . 167 A 167 A 168 1 n LYS . 168 A 168 # _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 ? 21.838 1.463 52.220 1.00 36.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? 21.301 1.875 50.900 1.00 48.64 1 A 1 ATOM 3 C C . MET A 1 1 ? 20.969 3.361 50.967 1.00 48.92 1 A 1 ATOM 4 O O . MET A 1 1 ? 20.026 3.728 51.654 1.00 47.13 1 A 1 ATOM 5 C CB . MET A 1 1 ? 20.037 1.077 50.529 1.00 47.33 1 A 1 ATOM 6 C CG . MET A 1 1 ? 20.328 -0.391 50.201 1.00 44.43 1 A 1 ATOM 7 S SD . MET A 1 1 ? 18.822 -1.270 49.680 1.00 41.66 1 A 1 ATOM 8 C CE . MET A 1 1 ? 19.429 -2.976 49.627 1.00 35.96 1 A 1 ATOM 9 N N . VAL A 1 2 ? 21.765 4.223 50.334 1.00 52.71 2 A 1 ATOM 10 C CA . VAL A 1 2 ? 21.508 5.674 50.325 1.00 59.79 2 A 1 ATOM 11 C C . VAL A 1 2 ? 20.341 5.937 49.369 1.00 60.66 2 A 1 ATOM 12 O O . VAL A 1 2 ? 20.457 5.753 48.156 1.00 54.99 2 A 1 ATOM 13 C CB . VAL A 1 2 ? 22.771 6.469 49.941 1.00 55.67 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? 22.507 7.978 49.971 1.00 48.38 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? 23.923 6.168 50.913 1.00 53.40 2 A 1 ATOM 16 N N . GLY A 1 3 ? 19.191 6.296 49.940 1.00 63.62 3 A 1 ATOM 17 C CA . GLY A 1 3 ? 18.015 6.658 49.160 1.00 68.62 3 A 1 ATOM 18 C C . GLY A 1 3 ? 18.322 7.873 48.276 1.00 68.74 3 A 1 ATOM 19 O O . GLY A 1 3 ? 18.708 8.928 48.770 1.00 63.71 3 A 1 ATOM 20 N N . LYS A 1 4 ? 18.162 7.736 46.969 1.00 72.16 4 A 1 ATOM 21 C CA . LYS A 1 4 ? 18.356 8.862 46.038 1.00 75.75 4 A 1 ATOM 22 C C . LYS A 1 4 ? 17.404 10.004 46.415 1.00 77.84 4 A 1 ATOM 23 O O . LYS A 1 4 ? 16.189 9.798 46.394 1.00 72.46 4 A 1 ATOM 24 C CB . LYS A 1 4 ? 18.134 8.412 44.584 1.00 70.33 4 A 1 ATOM 25 C CG . LYS A 1 4 ? 19.247 7.494 44.053 1.00 65.41 4 A 1 ATOM 26 C CD . LYS A 1 4 ? 19.055 7.173 42.558 1.00 63.51 4 A 1 ATOM 27 C CE . LYS A 1 4 ? 20.221 6.318 42.052 1.00 58.02 4 A 1 ATOM 28 N NZ . LYS A 1 4 ? 20.163 6.037 40.597 1.00 50.19 4 A 1 ATOM 29 N N . SER A 1 5 ? 17.960 11.177 46.732 1.00 77.66 5 A 1 ATOM 30 C CA . SER A 1 5 ? 17.212 12.359 47.159 1.00 81.03 5 A 1 ATOM 31 C C . SER A 1 5 ? 16.062 12.696 46.195 1.00 82.97 5 A 1 ATOM 32 O O . SER A 1 5 ? 16.127 12.452 44.980 1.00 79.20 5 A 1 ATOM 33 C CB . SER A 1 5 ? 18.155 13.559 47.346 1.00 75.60 5 A 1 ATOM 34 O OG . SER A 1 5 ? 18.904 13.777 46.167 1.00 68.56 5 A 1 ATOM 35 N N . LYS A 1 6 ? 14.974 13.195 46.767 1.00 86.68 6 A 1 ATOM 36 C CA . LYS A 1 6 ? 13.785 13.614 46.010 1.00 89.08 6 A 1 ATOM 37 C C . LYS A 1 6 ? 14.142 14.856 45.186 1.00 90.36 6 A 1 ATOM 38 O O . LYS A 1 6 ? 14.535 15.863 45.749 1.00 86.65 6 A 1 ATOM 39 C CB . LYS A 1 6 ? 12.631 13.846 47.001 1.00 84.98 6 A 1 ATOM 40 C CG . LYS A 1 6 ? 11.254 14.007 46.332 1.00 73.82 6 A 1 ATOM 41 C CD . LYS A 1 6 ? 10.165 14.160 47.410 1.00 71.01 6 A 1 ATOM 42 C CE . LYS A 1 6 ? 8.763 14.298 46.815 1.00 63.24 6 A 1 ATOM 43 N NZ . LYS A 1 6 ? 7.735 14.499 47.874 1.00 52.87 6 A 1 ATOM 44 N N . ILE A 1 7 ? 14.041 14.745 43.868 1.00 90.78 7 A 1 ATOM 45 C CA . ILE A 1 7 ? 14.326 15.871 42.964 1.00 91.22 7 A 1 ATOM 46 C C . ILE A 1 7 ? 13.090 16.757 42.883 1.00 92.50 7 A 1 ATOM 47 O O . ILE A 1 7 ? 11.988 16.253 42.637 1.00 89.06 7 A 1 ATOM 48 C CB . ILE A 1 7 ? 14.768 15.365 41.572 1.00 90.19 7 A 1 ATOM 49 C CG1 . ILE A 1 7 ? 16.109 14.607 41.700 1.00 86.24 7 A 1 ATOM 50 C CG2 . ILE A 1 7 ? 14.905 16.522 40.563 1.00 84.47 7 A 1 ATOM 51 C CD1 . ILE A 1 7 ? 16.510 13.865 40.428 1.00 78.50 7 A 1 ATOM 52 N N . ASP A 1 8 ? 13.280 18.057 43.021 1.00 92.48 8 A 1 ATOM 53 C CA . ASP A 1 8 ? 12.262 19.028 42.660 1.00 93.11 8 A 1 ATOM 54 C C . ASP A 1 8 ? 12.250 19.208 41.136 1.00 93.75 8 A 1 ATOM 55 O O . ASP A 1 8 ? 13.124 19.830 40.534 1.00 91.47 8 A 1 ATOM 56 C CB . ASP A 1 8 ? 12.469 20.352 43.404 1.00 91.22 8 A 1 ATOM 57 C CG . ASP A 1 8 ? 11.407 21.370 42.984 1.00 88.85 8 A 1 ATOM 58 O OD1 . ASP A 1 8 ? 10.389 20.952 42.367 1.00 82.78 8 A 1 ATOM 59 O OD2 . ASP A 1 8 ? 11.663 22.563 43.198 1.00 81.62 8 A 1 ATOM 60 N N . TRP A 1 9 ? 11.259 18.601 40.497 1.00 94.88 9 A 1 ATOM 61 C CA . TRP A 1 9 ? 11.120 18.640 39.041 1.00 95.15 9 A 1 ATOM 62 C C . TRP A 1 9 ? 10.586 19.981 38.517 1.00 95.75 9 A 1 ATOM 63 O O . TRP A 1 9 ? 10.609 20.190 37.304 1.00 93.82 9 A 1 ATOM 64 C CB . TRP A 1 9 ? 10.229 17.474 38.604 1.00 94.61 9 A 1 ATOM 65 C CG . TRP A 1 9 ? 10.822 16.121 38.856 1.00 94.55 9 A 1 ATOM 66 C CD1 . TRP A 1 9 ? 10.549 15.325 39.914 1.00 92.19 9 A 1 ATOM 67 C CD2 . TRP A 1 9 ? 11.811 15.403 38.058 1.00 94.02 9 A 1 ATOM 68 N NE1 . TRP A 1 9 ? 11.294 14.164 39.824 1.00 91.81 9 A 1 ATOM 69 C CE2 . TRP A 1 9 ? 12.092 14.160 38.699 1.00 92.95 9 A 1 ATOM 70 C CE3 . TRP A 1 9 ? 12.504 15.679 36.863 1.00 92.08 9 A 1 ATOM 71 C CZ2 . TRP A 1 9 ? 13.009 13.237 38.177 1.00 91.95 9 A 1 ATOM 72 C CZ3 . TRP A 1 9 ? 13.428 14.758 36.328 1.00 90.96 9 A 1 ATOM 73 C CH2 . TRP A 1 9 ? 13.683 13.538 36.981 1.00 90.30 9 A 1 ATOM 74 N N . GLN A 1 10 ? 10.087 20.862 39.387 1.00 95.11 10 A 1 ATOM 75 C CA . GLN A 1 10 ? 9.564 22.168 38.976 1.00 94.68 10 A 1 ATOM 76 C C . GLN A 1 10 ? 10.682 23.195 38.773 1.00 94.96 10 A 1 ATOM 77 O O . GLN A 1 10 ? 10.554 24.041 37.888 1.00 92.80 10 A 1 ATOM 78 C CB . GLN A 1 10 ? 8.540 22.680 39.992 1.00 93.84 10 A 1 ATOM 79 C CG . GLN A 1 10 ? 7.282 21.799 40.053 1.00 90.23 10 A 1 ATOM 80 C CD . GLN A 1 10 ? 6.181 22.388 40.935 1.00 83.64 10 A 1 ATOM 81 O OE1 . GLN A 1 10 ? 6.361 23.304 41.707 1.00 76.09 10 A 1 ATOM 82 N NE2 . GLN A 1 10 ? 4.966 21.887 40.849 1.00 72.01 10 A 1 ATOM 83 N N . SER A 1 11 ? 11.779 23.063 39.529 1.00 94.31 11 A 1 ATOM 84 C CA . SER A 1 11 ? 12.951 23.949 39.418 1.00 93.79 11 A 1 ATOM 85 C C . SER A 1 11 ? 13.904 23.598 38.268 1.00 93.87 11 A 1 ATOM 86 O O . SER A 1 11 ? 14.851 24.332 38.001 1.00 90.93 11 A 1 ATOM 87 C CB . SER A 1 11 ? 13.710 23.966 40.750 1.00 92.64 11 A 1 ATOM 88 O OG . SER A 1 11 ? 14.171 22.676 41.087 1.00 84.51 11 A 1 ATOM 89 N N . ILE A 1 12 ? 13.651 22.494 37.552 1.00 94.06 12 A 1 ATOM 90 C CA . ILE A 1 12 ? 14.515 22.060 36.445 1.00 93.89 12 A 1 ATOM 91 C C . ILE A 1 12 ? 14.335 22.960 35.221 1.00 94.37 12 A 1 ATOM 92 O O . ILE A 1 12 ? 13.221 23.227 34.763 1.00 92.30 12 A 1 ATOM 93 C CB . ILE A 1 12 ? 14.286 20.568 36.117 1.00 93.18 12 A 1 ATOM 94 C CG1 . ILE A 1 12 ? 14.838 19.732 37.291 1.00 89.45 12 A 1 ATOM 95 C CG2 . ILE A 1 12 ? 14.963 20.149 34.791 1.00 87.36 12 A 1 ATOM 96 C CD1 . ILE A 1 12 ? 14.667 18.226 37.139 1.00 79.28 12 A 1 ATOM 97 N N . ASP A 1 13 ? 15.461 23.325 34.614 1.00 94.03 13 A 1 ATOM 98 C CA . ASP A 1 13 ? 15.474 24.004 33.325 1.00 94.30 13 A 1 ATOM 99 C C . ASP A 1 13 ? 15.067 23.051 32.185 1.00 94.52 13 A 1 ATOM 100 O O . ASP A 1 13 ? 15.860 22.277 31.632 1.00 92.12 13 A 1 ATOM 101 C CB . ASP A 1 13 ? 16.842 24.655 33.088 1.00 92.99 13 A 1 ATOM 102 C CG . ASP A 1 13 ? 16.913 25.360 31.730 1.00 92.68 13 A 1 ATOM 103 O OD1 . ASP A 1 13 ? 15.852 25.515 31.070 1.00 87.19 13 A 1 ATOM 104 O OD2 . ASP A 1 13 ? 18.047 25.660 31.314 1.00 86.93 13 A 1 ATOM 105 N N . TRP A 1 14 ? 13.793 23.116 31.816 1.00 94.47 14 A 1 ATOM 106 C CA . TRP A 1 14 ? 13.213 22.306 30.745 1.00 94.28 14 A 1 ATOM 107 C C . TRP A 1 14 ? 13.599 22.758 29.330 1.00 94.18 14 A 1 ATOM 108 O O . TRP A 1 14 ? 13.223 22.070 28.378 1.00 91.91 14 A 1 ATOM 109 C CB . TRP A 1 14 ? 11.693 22.226 30.939 1.00 94.20 14 A 1 ATOM 110 C CG . TRP A 1 14 ? 11.286 21.432 32.145 1.00 94.57 14 A 1 ATOM 111 C CD1 . TRP A 1 14 ? 10.805 21.941 33.300 1.00 92.42 14 A 1 ATOM 112 C CD2 . TRP A 1 14 ? 11.384 19.990 32.350 1.00 94.65 14 A 1 ATOM 113 N NE1 . TRP A 1 14 ? 10.597 20.922 34.203 1.00 92.92 14 A 1 ATOM 114 C CE2 . TRP A 1 14 ? 10.949 19.694 33.674 1.00 93.84 14 A 1 ATOM 115 C CE3 . TRP A 1 14 ? 11.822 18.906 31.561 1.00 93.60 14 A 1 ATOM 116 C CZ2 . TRP A 1 14 ? 10.957 18.393 34.191 1.00 93.46 14 A 1 ATOM 117 C CZ3 . TRP A 1 14 ? 11.829 17.594 32.071 1.00 92.58 14 A 1 ATOM 118 C CH2 . TRP A 1 14 ? 11.404 17.333 33.385 1.00 92.40 14 A 1 ATOM 119 N N . THR A 1 15 ? 14.371 23.850 29.172 1.00 94.39 15 A 1 ATOM 120 C CA . THR A 1 15 ? 14.913 24.252 27.856 1.00 93.65 15 A 1 ATOM 121 C C . THR A 1 15 ? 16.022 23.307 27.377 1.00 93.33 15 A 1 ATOM 122 O O . THR A 1 15 ? 16.214 23.132 26.171 1.00 91.45 15 A 1 ATOM 123 C CB . THR A 1 15 ? 15.424 25.701 27.847 1.00 93.56 15 A 1 ATOM 124 O OG1 . THR A 1 15 ? 16.610 25.814 28.591 1.00 89.52 15 A 1 ATOM 125 C CG2 . THR A 1 15 ? 14.399 26.717 28.358 1.00 85.58 15 A 1 ATOM 126 N N . LYS A 1 16 ? 16.665 22.606 28.304 1.00 92.36 16 A 1 ATOM 127 C CA . LYS A 1 16 ? 17.694 21.597 28.024 1.00 92.44 16 A 1 ATOM 128 C C . LYS A 1 16 ? 17.107 20.310 27.429 1.00 92.63 16 A 1 ATOM 129 O O . LYS A 1 16 ? 15.923 19.983 27.561 1.00 91.51 16 A 1 ATOM 130 C CB . LYS A 1 16 ? 18.487 21.307 29.307 1.00 92.79 16 A 1 ATOM 131 C CG . LYS A 1 16 ? 19.258 22.539 29.810 1.00 92.56 16 A 1 ATOM 132 C CD . LYS A 1 16 ? 20.021 22.185 31.090 1.00 90.54 16 A 1 ATOM 133 C CE . LYS A 1 16 ? 20.751 23.399 31.664 1.00 87.80 16 A 1 ATOM 134 N NZ . LYS A 1 16 ? 21.425 23.043 32.932 1.00 81.26 16 A 1 ATOM 135 N N . THR A 1 17 ? 17.979 19.531 26.792 1.00 92.41 17 A 1 ATOM 136 C CA . THR A 1 17 ? 17.622 18.204 26.282 1.00 92.05 17 A 1 ATOM 137 C C . THR A 1 17 ? 17.401 17.209 27.424 1.00 92.96 17 A 1 ATOM 138 O O . THR A 1 17 ? 17.987 17.311 28.502 1.00 92.65 17 A 1 ATOM 139 C CB . THR A 1 17 ? 18.670 17.650 25.307 1.00 90.82 17 A 1 ATOM 140 O OG1 . THR A 1 17 ? 19.881 17.403 25.973 1.00 87.52 17 A 1 ATOM 141 C CG2 . THR A 1 17 ? 18.959 18.572 24.121 1.00 86.15 17 A 1 ATOM 142 N N . ASN A 1 18 ? 16.607 16.170 27.181 1.00 89.68 18 A 1 ATOM 143 C CA . ASN A 1 18 ? 16.401 15.107 28.172 1.00 90.43 18 A 1 ATOM 144 C C . ASN A 1 18 ? 17.709 14.409 28.585 1.00 91.75 18 A 1 ATOM 145 O O . ASN A 1 18 ? 17.802 13.934 29.710 1.00 91.48 18 A 1 ATOM 146 C CB . ASN A 1 18 ? 15.425 14.060 27.611 1.00 89.62 18 A 1 ATOM 147 C CG . ASN A 1 18 ? 14.000 14.550 27.465 1.00 88.72 18 A 1 ATOM 148 O OD1 . ASN A 1 18 ? 13.566 15.524 28.051 1.00 82.87 18 A 1 ATOM 149 N ND2 . ASN A 1 18 ? 13.203 13.882 26.665 1.00 82.12 18 A 1 ATOM 150 N N . ALA A 1 19 ? 18.686 14.327 27.693 1.00 90.16 19 A 1 ATOM 151 C CA . ALA A 1 19 ? 19.986 13.725 27.979 1.00 90.15 19 A 1 ATOM 152 C C . ALA A 1 19 ? 20.802 14.579 28.964 1.00 92.03 19 A 1 ATOM 153 O O . ALA A 1 19 ? 21.324 14.041 29.935 1.00 92.24 19 A 1 ATOM 154 C CB . ALA A 1 19 ? 20.727 13.509 26.658 1.00 88.48 19 A 1 ATOM 155 N N . GLN A 1 20 ? 20.844 15.897 28.758 1.00 91.46 20 A 1 ATOM 156 C CA . GLN A 1 20 ? 21.521 16.832 29.663 1.00 92.02 20 A 1 ATOM 157 C C . GLN A 1 20 ? 20.885 16.815 31.057 1.00 93.21 20 A 1 ATOM 158 O O . GLN A 1 20 ? 21.581 16.592 32.041 1.00 93.19 20 A 1 ATOM 159 C CB . GLN A 1 20 ? 21.462 18.247 29.071 1.00 91.52 20 A 1 ATOM 160 C CG . GLN A 1 20 ? 22.422 18.424 27.884 1.00 87.89 20 A 1 ATOM 161 C CD . GLN A 1 20 ? 22.081 19.643 27.034 1.00 85.98 20 A 1 ATOM 162 O OE1 . GLN A 1 20 ? 20.923 19.910 26.739 1.00 80.00 20 A 1 ATOM 163 N NE2 . GLN A 1 20 ? 23.050 20.389 26.564 1.00 75.90 20 A 1 ATOM 164 N N . ILE A 1 21 ? 19.557 16.922 31.137 1.00 92.60 21 A 1 ATOM 165 C CA . ILE A 1 21 ? 18.835 16.870 32.416 1.00 93.03 21 A 1 ATOM 166 C C . ILE A 1 21 ? 19.059 15.523 33.125 1.00 93.68 21 A 1 ATOM 167 O O . ILE A 1 21 ? 19.221 15.474 34.339 1.00 93.27 21 A 1 ATOM 168 C CB . ILE A 1 21 ? 17.331 17.137 32.191 1.00 93.58 21 A 1 ATOM 169 C CG1 . ILE A 1 21 ? 17.095 18.550 31.598 1.00 92.44 21 A 1 ATOM 170 C CG2 . ILE A 1 21 ? 16.539 16.989 33.505 1.00 91.83 21 A 1 ATOM 171 C CD1 . ILE A 1 21 ? 15.667 18.773 31.082 1.00 88.85 21 A 1 ATOM 172 N N . ALA A 1 22 ? 19.077 14.414 32.392 1.00 93.60 22 A 1 ATOM 173 C CA . ALA A 1 22 ? 19.334 13.094 32.964 1.00 93.01 22 A 1 ATOM 174 C C . ALA A 1 22 ? 20.735 12.992 33.580 1.00 93.33 22 A 1 ATOM 175 O O . ALA A 1 22 ? 20.878 12.414 34.657 1.00 92.83 22 A 1 ATOM 176 C CB . ALA A 1 22 ? 19.121 12.031 31.878 1.00 92.79 22 A 1 ATOM 177 N N . GLN A 1 23 ? 21.735 13.568 32.925 1.00 94.07 23 A 1 ATOM 178 C CA . GLN A 1 23 ? 23.109 13.611 33.415 1.00 93.85 23 A 1 ATOM 179 C C . GLN A 1 23 ? 23.238 14.512 34.652 1.00 93.69 23 A 1 ATOM 180 O O . GLN A 1 23 ? 23.791 14.074 35.658 1.00 92.42 23 A 1 ATOM 181 C CB . GLN A 1 23 ? 24.013 14.060 32.264 1.00 93.87 23 A 1 ATOM 182 C CG . GLN A 1 23 ? 25.504 13.981 32.623 1.00 83.94 23 A 1 ATOM 183 C CD . GLN A 1 23 ? 26.414 14.338 31.446 1.00 81.54 23 A 1 ATOM 184 O OE1 . GLN A 1 23 ? 25.986 14.656 30.347 1.00 74.15 23 A 1 ATOM 185 N NE2 . GLN A 1 23 ? 27.715 14.284 31.629 1.00 70.32 23 A 1 ATOM 186 N N . GLU A 1 24 ? 22.673 15.722 34.618 1.00 93.35 24 A 1 ATOM 187 C CA . GLU A 1 24 ? 22.702 16.684 35.732 1.00 92.69 24 A 1 ATOM 188 C C . GLU A 1 24 ? 21.982 16.157 36.981 1.00 92.71 24 A 1 ATOM 189 O O . GLU A 1 24 ? 22.480 16.275 38.095 1.00 89.79 24 A 1 ATOM 190 C CB . GLU A 1 24 ? 22.059 18.012 35.277 1.00 92.25 24 A 1 ATOM 191 C CG . GLU A 1 24 ? 22.933 18.784 34.268 1.00 89.07 24 A 1 ATOM 192 C CD . GLU A 1 24 ? 22.244 20.024 33.660 1.00 88.47 24 A 1 ATOM 193 O OE1 . GLU A 1 24 ? 22.798 20.621 32.708 1.00 81.16 24 A 1 ATOM 194 O OE2 . GLU A 1 24 ? 21.150 20.444 34.105 1.00 82.31 24 A 1 ATOM 195 N N . CYS A 1 25 ? 20.834 15.511 36.805 1.00 93.14 25 A 1 ATOM 196 C CA . CYS A 1 25 ? 20.040 14.976 37.915 1.00 91.77 25 A 1 ATOM 197 C C . CYS A 1 25 ? 20.463 13.566 38.366 1.00 92.13 25 A 1 ATOM 198 O O . CYS A 1 25 ? 19.852 13.009 39.285 1.00 88.13 25 A 1 ATOM 199 C CB . CYS A 1 25 ? 18.559 14.995 37.515 1.00 89.55 25 A 1 ATOM 200 S SG . CYS A 1 25 ? 17.994 16.675 37.139 1.00 81.57 25 A 1 ATOM 201 N N . GLY A 1 26 ? 21.422 12.930 37.698 1.00 92.92 26 A 1 ATOM 202 C CA . GLY A 1 26 ? 21.809 11.544 37.978 1.00 92.81 26 A 1 ATOM 203 C C . GLY A 1 26 ? 20.643 10.547 37.850 1.00 93.56 26 A 1 ATOM 204 O O . GLY A 1 26 ? 20.532 9.588 38.626 1.00 91.02 26 A 1 ATOM 205 N N . ARG A 1 27 ? 19.713 10.786 36.918 1.00 93.02 27 A 1 ATOM 206 C CA . ARG A 1 27 ? 18.530 9.941 36.669 1.00 94.02 27 A 1 ATOM 207 C C . ARG A 1 27 ? 18.562 9.319 35.280 1.00 94.93 27 A 1 ATOM 208 O O . ARG A 1 27 ? 19.180 9.828 34.354 1.00 93.03 27 A 1 ATOM 209 C CB . ARG A 1 27 ? 17.235 10.741 36.886 1.00 93.62 27 A 1 ATOM 210 C CG . ARG A 1 27 ? 17.020 11.275 38.306 1.00 92.28 27 A 1 ATOM 211 C CD . ARG A 1 27 ? 16.998 10.184 39.392 1.00 89.31 27 A 1 ATOM 212 N NE . ARG A 1 27 ? 16.685 10.791 40.706 1.00 85.42 27 A 1 ATOM 213 C CZ . ARG A 1 27 ? 16.637 10.173 41.872 1.00 81.10 27 A 1 ATOM 214 N NH1 . ARG A 1 27 ? 16.865 8.904 41.987 1.00 75.24 27 A 1 ATOM 215 N NH2 . ARG A 1 27 ? 16.373 10.837 42.962 1.00 76.76 27 A 1 ATOM 216 N N . ALA A 1 28 ? 17.847 8.222 35.134 1.00 93.87 28 A 1 ATOM 217 C CA . ALA A 1 28 ? 17.703 7.589 33.833 1.00 93.91 28 A 1 ATOM 218 C C . ALA A 1 28 ? 16.942 8.500 32.850 1.00 93.94 28 A 1 ATOM 219 O O . ALA A 1 28 ? 15.948 9.137 33.218 1.00 92.68 28 A 1 ATOM 220 C CB . ALA A 1 28 ? 17.009 6.232 34.008 1.00 93.22 28 A 1 ATOM 221 N N . TYR A 1 29 ? 17.348 8.492 31.592 1.00 93.01 29 A 1 ATOM 222 C CA . TYR A 1 29 ? 16.719 9.260 30.508 1.00 92.39 29 A 1 ATOM 223 C C . TYR A 1 29 ? 15.188 9.103 30.468 1.00 93.40 29 A 1 ATOM 224 O O . TYR A 1 29 ? 14.449 10.088 30.402 1.00 92.85 29 A 1 ATOM 225 C CB . TYR A 1 29 ? 17.348 8.804 29.183 1.00 90.35 29 A 1 ATOM 226 C CG . TYR A 1 29 ? 16.778 9.495 27.960 1.00 88.77 29 A 1 ATOM 227 C CD1 . TYR A 1 29 ? 15.666 8.948 27.286 1.00 84.28 29 A 1 ATOM 228 C CD2 . TYR A 1 29 ? 17.357 10.695 27.501 1.00 83.82 29 A 1 ATOM 229 C CE1 . TYR A 1 29 ? 15.135 9.600 26.158 1.00 81.78 29 A 1 ATOM 230 C CE2 . TYR A 1 29 ? 16.829 11.347 26.371 1.00 81.58 29 A 1 ATOM 231 C CZ . TYR A 1 29 ? 15.716 10.801 25.696 1.00 84.02 29 A 1 ATOM 232 O OH . TYR A 1 29 ? 15.205 11.432 24.607 1.00 81.16 29 A 1 ATOM 233 N N . ASN A 1 30 ? 14.696 7.867 30.612 1.00 92.70 30 A 1 ATOM 234 C CA . ASN A 1 30 ? 13.258 7.580 30.611 1.00 93.16 30 A 1 ATOM 235 C C . ASN A 1 30 ? 12.500 8.214 31.792 1.00 94.41 30 A 1 ATOM 236 O O . ASN A 1 30 ? 11.324 8.548 31.653 1.00 93.67 30 A 1 ATOM 237 C CB . ASN A 1 30 ? 13.055 6.052 30.597 1.00 92.22 30 A 1 ATOM 238 C CG . ASN A 1 30 ? 13.372 5.426 29.249 1.00 85.74 30 A 1 ATOM 239 O OD1 . ASN A 1 30 ? 13.396 6.082 28.221 1.00 77.55 30 A 1 ATOM 240 N ND2 . ASN A 1 30 ? 13.601 4.134 29.202 1.00 75.58 30 A 1 ATOM 241 N N . THR A 1 31 ? 13.154 8.394 32.944 1.00 94.72 31 A 1 ATOM 242 C CA . THR A 1 31 ? 12.567 9.091 34.100 1.00 95.19 31 A 1 ATOM 243 C C . THR A 1 31 ? 12.331 10.559 33.761 1.00 95.79 31 A 1 ATOM 244 O O . THR A 1 31 ? 11.229 11.060 33.972 1.00 94.87 31 A 1 ATOM 245 C CB . THR A 1 31 ? 13.462 8.963 35.344 1.00 94.97 31 A 1 ATOM 246 O OG1 . THR A 1 31 ? 13.724 7.601 35.608 1.00 89.28 31 A 1 ATOM 247 C CG2 . THR A 1 31 ? 12.814 9.540 36.600 1.00 87.50 31 A 1 ATOM 248 N N . VAL A 1 32 ? 13.322 11.217 33.152 1.00 94.59 32 A 1 ATOM 249 C CA . VAL A 1 32 ? 13.208 12.613 32.705 1.00 94.25 32 A 1 ATOM 250 C C . VAL A 1 32 ? 12.125 12.762 31.632 1.00 94.63 32 A 1 ATOM 251 O O . VAL A 1 32 ? 11.274 13.641 31.745 1.00 94.29 32 A 1 ATOM 252 C CB . VAL A 1 32 ? 14.562 13.139 32.193 1.00 94.03 32 A 1 ATOM 253 C CG1 . VAL A 1 32 ? 14.463 14.609 31.780 1.00 90.52 32 A 1 ATOM 254 C CG2 . VAL A 1 32 ? 15.648 13.015 33.271 1.00 88.93 32 A 1 ATOM 255 N N . CYS A 1 33 ? 12.088 11.871 30.643 1.00 93.64 33 A 1 ATOM 256 C CA . CYS A 1 33 ? 11.035 11.873 29.617 1.00 92.69 33 A 1 ATOM 257 C C . CYS A 1 33 ? 9.619 11.778 30.216 1.00 93.50 33 A 1 ATOM 258 O O . CYS A 1 33 ? 8.729 12.531 29.821 1.00 93.15 33 A 1 ATOM 259 C CB . CYS A 1 33 ? 11.246 10.694 28.661 1.00 90.59 33 A 1 ATOM 260 S SG . CYS A 1 33 ? 12.674 10.986 27.595 1.00 79.83 33 A 1 ATOM 261 N N . LYS A 1 34 ? 9.417 10.857 31.174 1.00 94.56 34 A 1 ATOM 262 C CA . LYS A 1 34 ? 8.125 10.693 31.857 1.00 95.08 34 A 1 ATOM 263 C C . LYS A 1 34 ? 7.734 11.953 32.630 1.00 95.86 34 A 1 ATOM 264 O O . LYS A 1 34 ? 6.583 12.375 32.547 1.00 95.44 34 A 1 ATOM 265 C CB . LYS A 1 34 ? 8.165 9.476 32.793 1.00 95.08 34 A 1 ATOM 266 C CG . LYS A 1 34 ? 8.065 8.142 32.033 1.00 86.61 34 A 1 ATOM 267 C CD . LYS A 1 34 ? 8.150 6.956 33.004 1.00 83.06 34 A 1 ATOM 268 C CE . LYS A 1 34 ? 8.051 5.625 32.252 1.00 74.82 34 A 1 ATOM 269 N NZ . LYS A 1 34 ? 8.026 4.458 33.172 1.00 65.90 34 A 1 ATOM 270 N N . MET A 1 35 ? 8.679 12.557 33.355 1.00 94.56 35 A 1 ATOM 271 C CA . MET A 1 35 ? 8.407 13.779 34.122 1.00 94.76 35 A 1 ATOM 272 C C . MET A 1 35 ? 8.135 14.980 33.217 1.00 95.40 35 A 1 ATOM 273 O O . MET A 1 35 ? 7.185 15.717 33.471 1.00 94.93 35 A 1 ATOM 274 C CB . MET A 1 35 ? 9.554 14.059 35.096 1.00 95.26 35 A 1 ATOM 275 C CG . MET A 1 35 ? 9.621 13.021 36.228 1.00 91.36 35 A 1 ATOM 276 S SD . MET A 1 35 ? 8.082 12.722 37.157 1.00 88.88 35 A 1 ATOM 277 C CE . MET A 1 35 ? 7.735 14.381 37.790 1.00 78.86 35 A 1 ATOM 278 N N . ARG A 1 36 ? 8.869 15.135 32.111 1.00 95.75 36 A 1 ATOM 279 C CA . ARG A 1 36 ? 8.602 16.172 31.098 1.00 95.22 36 A 1 ATOM 280 C C . ARG A 1 36 ? 7.180 16.073 30.540 1.00 95.68 36 A 1 ATOM 281 O O . ARG A 1 36 ? 6.507 17.093 30.400 1.00 94.63 36 A 1 ATOM 282 C CB . ARG A 1 36 ? 9.665 16.068 29.986 1.00 94.12 36 A 1 ATOM 283 C CG . ARG A 1 36 ? 9.540 17.231 28.982 1.00 92.76 36 A 1 ATOM 284 C CD . ARG A 1 36 ? 10.541 17.124 27.831 1.00 91.78 36 A 1 ATOM 285 N NE . ARG A 1 36 ? 11.933 17.422 28.239 1.00 89.84 36 A 1 ATOM 286 C CZ . ARG A 1 36 ? 12.589 18.566 28.105 1.00 90.22 36 A 1 ATOM 287 N NH1 . ARG A 1 36 ? 12.035 19.651 27.669 1.00 83.71 36 A 1 ATOM 288 N NH2 . ARG A 1 36 ? 13.850 18.645 28.394 1.00 85.53 36 A 1 ATOM 289 N N . GLY A 1 37 ? 6.729 14.851 30.261 1.00 94.14 37 A 1 ATOM 290 C CA . GLY A 1 37 ? 5.355 14.601 29.820 1.00 93.61 37 A 1 ATOM 291 C C . GLY A 1 37 ? 4.315 14.948 30.893 1.00 94.72 37 A 1 ATOM 292 O O . GLY A 1 37 ? 3.370 15.676 30.608 1.00 93.73 37 A 1 ATOM 293 N N . LYS A 1 38 ? 4.531 14.493 32.138 1.00 94.63 38 A 1 ATOM 294 C CA . LYS A 1 38 ? 3.628 14.777 33.272 1.00 95.00 38 A 1 ATOM 295 C C . LYS A 1 38 ? 3.472 16.275 33.562 1.00 95.60 38 A 1 ATOM 296 O O . LYS A 1 38 ? 2.382 16.709 33.906 1.00 94.10 38 A 1 ATOM 297 C CB . LYS A 1 38 ? 4.128 14.076 34.542 1.00 94.78 38 A 1 ATOM 298 C CG . LYS A 1 38 ? 3.853 12.568 34.548 1.00 85.93 38 A 1 ATOM 299 C CD . LYS A 1 38 ? 4.300 11.968 35.884 1.00 84.69 38 A 1 ATOM 300 C CE . LYS A 1 38 ? 3.939 10.485 35.971 1.00 77.02 38 A 1 ATOM 301 N NZ . LYS A 1 38 ? 4.132 9.966 37.347 1.00 68.70 38 A 1 ATOM 302 N N . LEU A 1 39 ? 4.544 17.039 33.418 1.00 94.69 39 A 1 ATOM 303 C CA . LEU A 1 39 ? 4.558 18.488 33.650 1.00 94.59 39 A 1 ATOM 304 C C . LEU A 1 39 ? 4.116 19.307 32.423 1.00 94.95 39 A 1 ATOM 305 O O . LEU A 1 39 ? 4.191 20.531 32.443 1.00 92.89 39 A 1 ATOM 306 C CB . LEU A 1 39 ? 5.960 18.893 34.147 1.00 94.84 39 A 1 ATOM 307 C CG . LEU A 1 39 ? 6.356 18.292 35.510 1.00 93.80 39 A 1 ATOM 308 C CD1 . LEU A 1 39 ? 7.821 18.614 35.789 1.00 85.24 39 A 1 ATOM 309 C CD2 . LEU A 1 39 ? 5.510 18.844 36.657 1.00 85.46 39 A 1 ATOM 310 N N . GLY A 1 40 ? 3.719 18.659 31.324 1.00 94.54 40 A 1 ATOM 311 C CA . GLY A 1 40 ? 3.298 19.355 30.104 1.00 94.14 40 A 1 ATOM 312 C C . GLY A 1 40 ? 4.424 20.129 29.398 1.00 94.40 40 A 1 ATOM 313 O O . GLY A 1 40 ? 4.151 20.979 28.551 1.00 91.49 40 A 1 ATOM 314 N N . LYS A 1 41 ? 5.687 19.835 29.712 1.00 93.03 41 A 1 ATOM 315 C CA . LYS A 1 41 ? 6.870 20.542 29.170 1.00 92.03 41 A 1 ATOM 316 C C . LYS A 1 41 ? 7.416 19.928 27.869 1.00 91.78 41 A 1 ATOM 317 O O . LYS A 1 41 ? 8.542 20.207 27.467 1.00 86.74 41 A 1 ATOM 318 C CB . LYS A 1 41 ? 7.946 20.663 30.267 1.00 91.89 41 A 1 ATOM 319 C CG . LYS A 1 41 ? 7.506 21.412 31.534 1.00 92.03 41 A 1 ATOM 320 C CD . LYS A 1 41 ? 7.106 22.875 31.265 1.00 88.15 41 A 1 ATOM 321 C CE . LYS A 1 41 ? 6.838 23.622 32.578 1.00 84.92 41 A 1 ATOM 322 N NZ . LYS A 1 41 ? 6.643 25.073 32.352 1.00 75.21 41 A 1 ATOM 323 N N . SER A 1 42 ? 6.629 19.086 27.193 1.00 91.96 42 A 1 ATOM 324 C CA . SER A 1 42 ? 7.066 18.372 25.977 1.00 89.25 42 A 1 ATOM 325 C C . SER A 1 42 ? 7.395 19.288 24.789 1.00 87.85 42 A 1 ATOM 326 O O . SER A 1 42 ? 8.161 18.891 23.912 1.00 82.58 42 A 1 ATOM 327 C CB . SER A 1 42 ? 5.990 17.374 25.547 1.00 87.43 42 A 1 ATOM 328 O OG . SER A 1 42 ? 5.800 16.406 26.561 1.00 78.36 42 A 1 ATOM 329 N N . HIS A 1 43 ? 6.822 20.492 24.769 1.00 90.77 43 A 1 ATOM 330 C CA . HIS A 1 43 ? 7.079 21.516 23.752 1.00 87.89 43 A 1 ATOM 331 C C . HIS A 1 43 ? 8.353 22.336 24.023 1.00 86.25 43 A 1 ATOM 332 O O . HIS A 1 43 ? 8.823 23.039 23.135 1.00 83.71 43 A 1 ATOM 333 C CB . HIS A 1 43 ? 5.847 22.430 23.662 1.00 87.89 43 A 1 ATOM 334 C CG . HIS A 1 43 ? 5.574 23.209 24.933 1.00 84.31 43 A 1 ATOM 335 N ND1 . HIS A 1 43 ? 4.888 22.765 26.039 1.00 76.98 43 A 1 ATOM 336 C CD2 . HIS A 1 43 ? 5.985 24.487 25.199 1.00 72.76 43 A 1 ATOM 337 C CE1 . HIS A 1 43 ? 4.881 23.759 26.945 1.00 73.37 43 A 1 ATOM 338 N NE2 . HIS A 1 43 ? 5.540 24.823 26.484 1.00 75.34 43 A 1 ATOM 339 N N . GLN A 1 44 ? 8.893 22.251 25.240 1.00 90.15 44 A 1 ATOM 340 C CA . GLN A 1 44 ? 10.091 22.968 25.655 1.00 88.30 44 A 1 ATOM 341 C C . GLN A 1 44 ? 11.339 22.100 25.447 1.00 86.04 44 A 1 ATOM 342 O O . GLN A 1 44 ? 11.300 20.876 25.594 1.00 77.22 44 A 1 ATOM 343 C CB . GLN A 1 44 ? 9.955 23.434 27.120 1.00 86.80 44 A 1 ATOM 344 C CG . GLN A 1 44 ? 8.758 24.386 27.320 1.00 83.99 44 A 1 ATOM 345 C CD . GLN A 1 44 ? 8.616 24.920 28.741 1.00 81.10 44 A 1 ATOM 346 O OE1 . GLN A 1 44 ? 9.220 24.466 29.694 1.00 73.62 44 A 1 ATOM 347 N NE2 . GLN A 1 44 ? 7.772 25.906 28.948 1.00 71.64 44 A 1 ATOM 348 N N . GLY A 1 45 ? 12.454 22.735 25.160 1.00 86.66 45 A 1 ATOM 349 C CA . GLY A 1 45 ? 13.761 22.093 25.033 1.00 83.32 45 A 1 ATOM 350 C C . GLY A 1 45 ? 14.142 21.689 23.613 1.00 83.53 45 A 1 ATOM 351 O O . GLY A 1 45 ? 13.307 21.345 22.773 1.00 78.74 45 A 1 ATOM 352 N N . ALA A 1 46 ? 15.442 21.688 23.374 1.00 82.32 46 A 1 ATOM 353 C CA . ALA A 1 46 ? 16.007 21.273 22.098 1.00 80.64 46 A 1 ATOM 354 C C . ALA A 1 46 ? 15.769 19.770 21.859 1.00 80.95 46 A 1 ATOM 355 O O . ALA A 1 46 ? 15.997 18.920 22.727 1.00 76.91 46 A 1 ATOM 356 C CB . ALA A 1 46 ? 17.490 21.649 22.059 1.00 77.13 46 A 1 ATOM 357 N N . LYS A 1 47 ? 15.330 19.435 20.659 1.00 80.81 47 A 1 ATOM 358 C CA . LYS A 1 47 ? 15.212 18.039 20.226 1.00 79.46 47 A 1 ATOM 359 C C . LYS A 1 47 ? 16.589 17.537 19.792 1.00 81.20 47 A 1 ATOM 360 O O . LYS A 1 47 ? 17.122 17.997 18.784 1.00 78.00 47 A 1 ATOM 361 C CB . LYS A 1 47 ? 14.171 17.896 19.104 1.00 75.67 47 A 1 ATOM 362 C CG . LYS A 1 47 ? 12.744 18.169 19.608 1.00 68.62 47 A 1 ATOM 363 C CD . LYS A 1 47 ? 11.702 17.998 18.488 1.00 65.94 47 A 1 ATOM 364 C CE . LYS A 1 47 ? 10.311 18.335 19.042 1.00 60.50 47 A 1 ATOM 365 N NZ . LYS A 1 47 ? 9.254 18.303 17.998 1.00 53.23 47 A 1 ATOM 366 N N . SER A 1 48 ? 17.132 16.571 20.520 1.00 79.39 48 A 1 ATOM 367 C CA . SER A 1 48 ? 18.342 15.875 20.077 1.00 79.11 48 A 1 ATOM 368 C C . SER A 1 48 ? 17.988 14.837 19.008 1.00 81.01 48 A 1 ATOM 369 O O . SER A 1 48 ? 17.009 14.099 19.180 1.00 78.83 48 A 1 ATOM 370 C CB . SER A 1 48 ? 19.059 15.218 21.257 1.00 75.72 48 A 1 ATOM 371 O OG . SER A 1 48 ? 20.310 14.704 20.837 1.00 68.69 48 A 1 ATOM 372 N N . PRO A 1 49 ? 18.747 14.750 17.911 1.00 79.12 49 A 1 ATOM 373 C CA . PRO A 1 49 ? 18.580 13.650 16.972 1.00 80.12 49 A 1 ATOM 374 C C . PRO A 1 49 ? 18.859 12.319 17.678 1.00 81.67 49 A 1 ATOM 375 O O . PRO A 1 49 ? 19.690 12.219 18.578 1.00 79.64 49 A 1 ATOM 376 C CB . PRO A 1 49 ? 19.550 13.931 15.817 1.00 78.28 49 A 1 ATOM 377 C CG . PRO A 1 49 ? 20.648 14.762 16.478 1.00 75.10 49 A 1 ATOM 378 C CD . PRO A 1 49 ? 19.899 15.555 17.554 1.00 78.98 49 A 1 ATOM 379 N N . ARG A 1 50 ? 18.159 11.285 17.255 1.00 79.11 50 A 1 ATOM 380 C CA . ARG A 1 50 ? 18.359 9.929 17.771 1.00 79.31 50 A 1 ATOM 381 C C . ARG A 1 50 ? 19.783 9.458 17.450 1.00 80.88 50 A 1 ATOM 382 O O . ARG A 1 50 ? 20.232 9.626 16.321 1.00 80.27 50 A 1 ATOM 383 C CB . ARG A 1 50 ? 17.263 9.038 17.166 1.00 76.39 50 A 1 ATOM 384 C CG . ARG A 1 50 ? 17.214 7.653 17.799 1.00 68.92 50 A 1 ATOM 385 C CD . ARG A 1 50 ? 16.061 6.824 17.214 1.00 68.26 50 A 1 ATOM 386 N NE . ARG A 1 50 ? 16.265 5.410 17.553 1.00 63.20 50 A 1 ATOM 387 C CZ . ARG A 1 50 ? 15.420 4.407 17.498 1.00 58.91 50 A 1 ATOM 388 N NH1 . ARG A 1 50 ? 14.168 4.551 17.156 1.00 56.85 50 A 1 ATOM 389 N NH2 . ARG A 1 50 ? 15.851 3.218 17.783 1.00 53.05 50 A 1 ATOM 390 N N . LYS A 1 51 ? 20.478 8.874 18.432 1.00 80.09 51 A 1 ATOM 391 C CA . LYS A 1 51 ? 21.900 8.465 18.319 1.00 80.15 51 A 1 ATOM 392 C C . LYS A 1 51 ? 22.173 7.520 17.135 1.00 81.99 51 A 1 ATOM 393 O O . LYS A 1 51 ? 23.234 7.589 16.527 1.00 78.87 51 A 1 ATOM 394 C CB . LYS A 1 51 ? 22.345 7.833 19.658 1.00 76.75 51 A 1 ATOM 395 C CG . LYS A 1 51 ? 23.843 7.469 19.681 1.00 69.49 51 A 1 ATOM 396 C CD . LYS A 1 51 ? 24.285 6.890 21.036 1.00 69.63 51 A 1 ATOM 397 C CE . LYS A 1 51 ? 25.778 6.529 20.978 1.00 61.81 51 A 1 ATOM 398 N NZ . LYS A 1 51 ? 26.296 5.978 22.263 1.00 55.37 51 A 1 ATOM 399 N N . ASP A 1 52 ? 21.211 6.674 16.818 1.00 80.89 52 A 1 ATOM 400 C CA . ASP A 1 52 ? 21.265 5.698 15.725 1.00 81.85 52 A 1 ATOM 401 C C . ASP A 1 52 ? 20.587 6.187 14.428 1.00 84.00 52 A 1 ATOM 402 O O . ASP A 1 52 ? 20.316 5.393 13.527 1.00 82.09 52 A 1 ATOM 403 C CB . ASP A 1 52 ? 20.704 4.341 16.216 1.00 78.01 52 A 1 ATOM 404 C CG . ASP A 1 52 ? 19.249 4.384 16.695 1.00 73.04 52 A 1 ATOM 405 O OD1 . ASP A 1 52 ? 18.750 5.477 17.045 1.00 69.72 52 A 1 ATOM 406 O OD2 . ASP A 1 52 ? 18.601 3.318 16.812 1.00 68.89 52 A 1 ATOM 407 N N . LYS A 1 53 ? 20.308 7.498 14.308 1.00 80.90 53 A 1 ATOM 408 C CA . LYS A 1 53 ? 19.725 8.073 13.090 1.00 82.00 53 A 1 ATOM 409 C C . LYS A 1 53 ? 20.680 7.872 11.910 1.00 81.74 53 A 1 ATOM 410 O O . LYS A 1 53 ? 21.805 8.348 11.938 1.00 77.94 53 A 1 ATOM 411 C CB . LYS A 1 53 ? 19.394 9.560 13.313 1.00 80.26 53 A 1 ATOM 412 C CG . LYS A 1 53 ? 18.643 10.157 12.115 1.00 74.96 53 A 1 ATOM 413 C CD . LYS A 1 53 ? 18.338 11.648 12.325 1.00 73.72 53 A 1 ATOM 414 C CE . LYS A 1 53 ? 17.621 12.198 11.081 1.00 68.07 53 A 1 ATOM 415 N NZ . LYS A 1 53 ? 17.437 13.669 11.148 1.00 61.33 53 A 1 ATOM 416 N N . GLY A 1 54 ? 20.198 7.204 10.868 1.00 82.48 54 A 1 ATOM 417 C CA . GLY A 1 54 ? 20.988 6.906 9.664 1.00 80.87 54 A 1 ATOM 418 C C . GLY A 1 54 ? 21.854 5.644 9.756 1.00 81.74 54 A 1 ATOM 419 O O . GLY A 1 54 ? 22.459 5.268 8.756 1.00 79.31 54 A 1 ATOM 420 N N . ILE A 1 55 ? 21.884 4.969 10.904 1.00 79.50 55 A 1 ATOM 421 C CA . ILE A 1 55 ? 22.589 3.692 11.050 1.00 78.39 55 A 1 ATOM 422 C C . ILE A 1 55 ? 21.642 2.561 10.633 1.00 76.90 55 A 1 ATOM 423 O O . ILE A 1 55 ? 20.685 2.243 11.342 1.00 72.79 55 A 1 ATOM 424 C CB . ILE A 1 55 ? 23.155 3.505 12.478 1.00 77.42 55 A 1 ATOM 425 C CG1 . ILE A 1 55 ? 24.075 4.691 12.856 1.00 73.41 55 A 1 ATOM 426 C CG2 . ILE A 1 55 ? 23.908 2.168 12.575 1.00 73.98 55 A 1 ATOM 427 C CD1 . ILE A 1 55 ? 24.645 4.626 14.281 1.00 67.15 55 A 1 ATOM 428 N N . SER A 1 56 ? 21.912 1.942 9.487 1.00 76.47 56 A 1 ATOM 429 C CA . SER A 1 56 ? 21.220 0.723 9.081 1.00 75.20 56 A 1 ATOM 430 C C . SER A 1 56 ? 21.691 -0.451 9.942 1.00 75.38 56 A 1 ATOM 431 O O . SER A 1 56 ? 22.893 -0.682 10.092 1.00 73.89 56 A 1 ATOM 432 C CB . SER A 1 56 ? 21.450 0.433 7.596 1.00 72.38 56 A 1 ATOM 433 O OG . SER A 1 56 ? 20.659 -0.676 7.215 1.00 64.62 56 A 1 ATOM 434 N N . ARG A 1 57 ? 20.745 -1.187 10.510 1.00 73.09 57 A 1 ATOM 435 C CA . ARG A 1 57 ? 21.003 -2.452 11.212 1.00 72.64 57 A 1 ATOM 436 C C . ARG A 1 57 ? 20.354 -3.576 10.410 1.00 72.22 57 A 1 ATOM 437 O O . ARG A 1 57 ? 19.195 -3.904 10.674 1.00 70.33 57 A 1 ATOM 438 C CB . ARG A 1 57 ? 20.500 -2.398 12.659 1.00 70.46 57 A 1 ATOM 439 C CG . ARG A 1 57 ? 21.295 -1.395 13.508 1.00 65.70 57 A 1 ATOM 440 C CD . ARG A 1 57 ? 20.819 -1.474 14.962 1.00 63.67 57 A 1 ATOM 441 N NE . ARG A 1 57 ? 21.514 -0.494 15.808 1.00 58.82 57 A 1 ATOM 442 C CZ . ARG A 1 57 ? 21.308 -0.291 17.100 1.00 51.38 57 A 1 ATOM 443 N NH1 . ARG A 1 57 ? 20.451 -1.000 17.780 1.00 50.21 57 A 1 ATOM 444 N NH2 . ARG A 1 57 ? 21.960 0.644 17.726 1.00 47.41 57 A 1 ATOM 445 N N . PRO A 1 58 ? 21.050 -4.116 9.399 1.00 72.13 58 A 1 ATOM 446 C CA . PRO A 1 58 ? 20.508 -5.232 8.644 1.00 70.46 58 A 1 ATOM 447 C C . PRO A 1 58 ? 20.272 -6.411 9.591 1.00 71.29 58 A 1 ATOM 448 O O . PRO A 1 58 ? 21.096 -6.719 10.451 1.00 69.47 58 A 1 ATOM 449 C CB . PRO A 1 58 ? 21.533 -5.535 7.545 1.00 67.92 58 A 1 ATOM 450 C CG . PRO A 1 58 ? 22.852 -5.022 8.124 1.00 66.73 58 A 1 ATOM 451 C CD . PRO A 1 58 ? 22.411 -3.826 8.975 1.00 72.01 58 A 1 ATOM 452 N N . GLN A 1 59 ? 19.129 -7.063 9.442 1.00 73.02 59 A 1 ATOM 453 C CA . GLN A 1 59 ? 18.743 -8.247 10.202 1.00 72.94 59 A 1 ATOM 454 C C . GLN A 1 59 ? 18.606 -9.429 9.232 1.00 74.41 59 A 1 ATOM 455 O O . GLN A 1 59 ? 17.488 -9.793 8.864 1.00 72.28 59 A 1 ATOM 456 C CB . GLN A 1 59 ? 17.462 -7.964 11.004 1.00 70.30 59 A 1 ATOM 457 C CG . GLN A 1 59 ? 17.696 -6.968 12.146 1.00 64.73 59 A 1 ATOM 458 C CD . GLN A 1 59 ? 16.448 -6.758 13.001 1.00 60.66 59 A 1 ATOM 459 O OE1 . GLN A 1 59 ? 15.328 -6.707 12.532 1.00 58.28 59 A 1 ATOM 460 N NE2 . GLN A 1 59 ? 16.590 -6.612 14.296 1.00 53.85 59 A 1 ATOM 461 N N . PRO A 1 60 ? 19.730 -10.024 8.783 1.00 69.78 60 A 1 ATOM 462 C CA . PRO A 1 60 ? 19.721 -11.058 7.744 1.00 69.45 60 A 1 ATOM 463 C C . PRO A 1 60 ? 18.845 -12.259 8.110 1.00 70.88 60 A 1 ATOM 464 O O . PRO A 1 60 ? 18.186 -12.834 7.249 1.00 69.02 60 A 1 ATOM 465 C CB . PRO A 1 60 ? 21.185 -11.474 7.560 1.00 67.73 60 A 1 ATOM 466 C CG . PRO A 1 60 ? 21.976 -10.253 8.022 1.00 65.90 60 A 1 ATOM 467 C CD . PRO A 1 60 ? 21.106 -9.706 9.152 1.00 70.83 60 A 1 ATOM 468 N N . HIS A 1 61 ? 18.773 -12.585 9.404 1.00 74.99 61 A 1 ATOM 469 C CA . HIS A 1 61 ? 17.950 -13.682 9.915 1.00 73.98 61 A 1 ATOM 470 C C . HIS A 1 61 ? 16.435 -13.450 9.752 1.00 74.02 61 A 1 ATOM 471 O O . HIS A 1 61 ? 15.687 -14.421 9.687 1.00 73.00 61 A 1 ATOM 472 C CB . HIS A 1 61 ? 18.323 -13.934 11.383 1.00 72.06 61 A 1 ATOM 473 C CG . HIS A 1 61 ? 17.969 -12.798 12.318 1.00 66.97 61 A 1 ATOM 474 N ND1 . HIS A 1 61 ? 18.732 -11.684 12.587 1.00 63.87 61 A 1 ATOM 475 C CD2 . HIS A 1 61 ? 16.828 -12.696 13.068 1.00 61.89 61 A 1 ATOM 476 C CE1 . HIS A 1 61 ? 18.063 -10.931 13.483 1.00 60.37 61 A 1 ATOM 477 N NE2 . HIS A 1 61 ? 16.902 -11.507 13.803 1.00 63.12 61 A 1 ATOM 478 N N . LEU A 1 62 ? 15.985 -12.193 9.653 1.00 73.85 62 A 1 ATOM 479 C CA . LEU A 1 62 ? 14.585 -11.840 9.373 1.00 73.34 62 A 1 ATOM 480 C C . LEU A 1 62 ? 14.305 -11.658 7.877 1.00 75.03 62 A 1 ATOM 481 O O . LEU A 1 62 ? 13.154 -11.742 7.456 1.00 72.05 62 A 1 ATOM 482 C CB . LEU A 1 62 ? 14.200 -10.566 10.144 1.00 70.67 62 A 1 ATOM 483 C CG . LEU A 1 62 ? 14.265 -10.685 11.678 1.00 65.89 62 A 1 ATOM 484 C CD1 . LEU A 1 62 ? 13.805 -9.370 12.308 1.00 64.80 62 A 1 ATOM 485 C CD2 . LEU A 1 62 ? 13.362 -11.797 12.220 1.00 62.98 62 A 1 ATOM 486 N N . ASN A 1 63 ? 15.339 -11.437 7.070 1.00 76.58 63 A 1 ATOM 487 C CA . ASN A 1 63 ? 15.224 -11.170 5.634 1.00 75.08 63 A 1 ATOM 488 C C . ASN A 1 63 ? 15.473 -12.428 4.779 1.00 76.85 63 A 1 ATOM 489 O O . ASN A 1 63 ? 16.013 -12.339 3.678 1.00 74.83 63 A 1 ATOM 490 C CB . ASN A 1 63 ? 16.157 -10.003 5.269 1.00 70.05 63 A 1 ATOM 491 C CG . ASN A 1 63 ? 15.758 -8.686 5.908 1.00 63.36 63 A 1 ATOM 492 O OD1 . ASN A 1 63 ? 14.626 -8.435 6.277 1.00 59.35 63 A 1 ATOM 493 N ND2 . ASN A 1 63 ? 16.692 -7.779 6.047 1.00 57.76 63 A 1 ATOM 494 N N . ARG A 1 64 ? 15.117 -13.606 5.297 1.00 76.40 64 A 1 ATOM 495 C CA . ARG A 1 64 ? 15.266 -14.857 4.545 1.00 77.59 64 A 1 ATOM 496 C C . ARG A 1 64 ? 14.301 -14.894 3.357 1.00 80.36 64 A 1 ATOM 497 O O . ARG A 1 64 ? 13.147 -14.474 3.477 1.00 80.59 64 A 1 ATOM 498 C CB . ARG A 1 64 ? 15.054 -16.079 5.450 1.00 74.94 64 A 1 ATOM 499 C CG . ARG A 1 64 ? 16.122 -16.199 6.543 1.00 68.72 64 A 1 ATOM 500 C CD . ARG A 1 64 ? 15.912 -17.504 7.321 1.00 67.37 64 A 1 ATOM 501 N NE . ARG A 1 64 ? 16.890 -17.659 8.412 1.00 61.13 64 A 1 ATOM 502 C CZ . ARG A 1 64 ? 17.056 -18.748 9.145 1.00 53.70 64 A 1 ATOM 503 N NH1 . ARG A 1 64 ? 16.337 -19.825 8.955 1.00 51.35 64 A 1 ATOM 504 N NH2 . ARG A 1 64 ? 17.960 -18.779 10.089 1.00 47.64 64 A 1 ATOM 505 N N . LEU A 1 65 ? 14.752 -15.457 2.235 1.00 81.63 65 A 1 ATOM 506 C CA . LEU A 1 65 ? 13.937 -15.630 1.025 1.00 82.87 65 A 1 ATOM 507 C C . LEU A 1 65 ? 12.635 -16.402 1.304 1.00 85.02 65 A 1 ATOM 508 O O . LEU A 1 65 ? 11.581 -16.060 0.771 1.00 84.16 65 A 1 ATOM 509 C CB . LEU A 1 65 ? 14.770 -16.362 -0.043 1.00 81.37 65 A 1 ATOM 510 C CG . LEU A 1 65 ? 15.949 -15.545 -0.615 1.00 76.90 65 A 1 ATOM 511 C CD1 . LEU A 1 65 ? 16.770 -16.432 -1.551 1.00 74.21 65 A 1 ATOM 512 C CD2 . LEU A 1 65 ? 15.470 -14.320 -1.400 1.00 72.38 65 A 1 ATOM 513 N N . GLU A 1 66 ? 12.689 -17.373 2.209 1.00 81.88 66 A 1 ATOM 514 C CA . GLU A 1 66 ? 11.527 -18.152 2.656 1.00 82.42 66 A 1 ATOM 515 C C . GLU A 1 66 ? 10.429 -17.262 3.261 1.00 82.63 66 A 1 ATOM 516 O O . GLU A 1 66 ? 9.251 -17.395 2.926 1.00 81.04 66 A 1 ATOM 517 C CB . GLU A 1 66 ? 11.987 -19.156 3.723 1.00 81.56 66 A 1 ATOM 518 C CG . GLU A 1 66 ? 12.986 -20.206 3.207 1.00 74.70 66 A 1 ATOM 519 C CD . GLU A 1 66 ? 13.721 -20.925 4.355 1.00 72.59 66 A 1 ATOM 520 O OE1 . GLU A 1 66 ? 14.741 -21.573 4.049 1.00 66.18 66 A 1 ATOM 521 O OE2 . GLU A 1 66 ? 13.346 -20.709 5.533 1.00 68.57 66 A 1 ATOM 522 N N . TYR A 1 67 ? 10.798 -16.299 4.110 1.00 84.04 67 A 1 ATOM 523 C CA . TYR A 1 67 ? 9.841 -15.372 4.717 1.00 83.10 67 A 1 ATOM 524 C C . TYR A 1 67 ? 9.267 -14.405 3.688 1.00 84.33 67 A 1 ATOM 525 O O . TYR A 1 67 ? 8.076 -14.089 3.741 1.00 83.35 67 A 1 ATOM 526 C CB . TYR A 1 67 ? 10.491 -14.604 5.873 1.00 81.19 67 A 1 ATOM 527 C CG . TYR A 1 67 ? 10.979 -15.450 7.036 1.00 78.48 67 A 1 ATOM 528 C CD1 . TYR A 1 67 ? 10.256 -16.581 7.466 1.00 76.20 67 A 1 ATOM 529 C CD2 . TYR A 1 67 ? 12.158 -15.078 7.714 1.00 74.13 67 A 1 ATOM 530 C CE1 . TYR A 1 67 ? 10.719 -17.349 8.552 1.00 72.44 67 A 1 ATOM 531 C CE2 . TYR A 1 67 ? 12.624 -15.841 8.804 1.00 71.89 67 A 1 ATOM 532 C CZ . TYR A 1 67 ? 11.908 -16.982 9.221 1.00 71.26 67 A 1 ATOM 533 O OH . TYR A 1 67 ? 12.367 -17.730 10.257 1.00 68.71 67 A 1 ATOM 534 N N . GLN A 1 68 ? 10.067 -13.976 2.713 1.00 83.72 68 A 1 ATOM 535 C CA . GLN A 1 68 ? 9.588 -13.158 1.604 1.00 83.81 68 A 1 ATOM 536 C C . GLN A 1 68 ? 8.578 -13.923 0.738 1.00 86.41 68 A 1 ATOM 537 O O . GLN A 1 68 ? 7.528 -13.371 0.387 1.00 86.63 68 A 1 ATOM 538 C CB . GLN A 1 68 ? 10.791 -12.679 0.784 1.00 80.83 68 A 1 ATOM 539 C CG . GLN A 1 68 ? 10.364 -11.707 -0.325 1.00 72.65 68 A 1 ATOM 540 C CD . GLN A 1 68 ? 11.540 -11.214 -1.160 1.00 69.21 68 A 1 ATOM 541 O OE1 . GLN A 1 68 ? 12.690 -11.559 -0.965 1.00 63.45 68 A 1 ATOM 542 N NE2 . GLN A 1 68 ? 11.295 -10.377 -2.140 1.00 59.05 68 A 1 ATOM 543 N N . ALA A 1 69 ? 8.866 -15.183 0.424 1.00 84.42 69 A 1 ATOM 544 C CA . ALA A 1 69 ? 7.950 -16.045 -0.321 1.00 86.13 69 A 1 ATOM 545 C C . ALA A 1 69 ? 6.627 -16.244 0.439 1.00 88.06 69 A 1 ATOM 546 O O . ALA A 1 69 ? 5.551 -16.011 -0.121 1.00 87.69 69 A 1 ATOM 547 C CB . ALA A 1 69 ? 8.658 -17.379 -0.607 1.00 85.95 69 A 1 ATOM 548 N N . LEU A 1 70 ? 6.690 -16.554 1.736 1.00 85.73 70 A 1 ATOM 549 C CA . LEU A 1 70 ? 5.512 -16.711 2.594 1.00 85.74 70 A 1 ATOM 550 C C . LEU A 1 70 ? 4.699 -15.413 2.702 1.00 86.74 70 A 1 ATOM 551 O O . LEU A 1 70 ? 3.473 -15.429 2.566 1.00 86.54 70 A 1 ATOM 552 C CB . LEU A 1 70 ? 5.979 -17.196 3.982 1.00 85.61 70 A 1 ATOM 553 C CG . LEU A 1 70 ? 4.828 -17.467 4.973 1.00 78.92 70 A 1 ATOM 554 C CD1 . LEU A 1 70 ? 3.939 -18.623 4.519 1.00 75.78 70 A 1 ATOM 555 C CD2 . LEU A 1 70 ? 5.392 -17.792 6.353 1.00 74.23 70 A 1 ATOM 556 N N . ALA A 1 71 ? 5.365 -14.275 2.914 1.00 87.78 71 A 1 ATOM 557 C CA . ALA A 1 71 ? 4.712 -12.969 2.971 1.00 86.81 71 A 1 ATOM 558 C C . ALA A 1 71 ? 4.024 -12.627 1.642 1.00 88.91 71 A 1 ATOM 559 O O . ALA A 1 71 ? 2.888 -12.152 1.635 1.00 88.98 71 A 1 ATOM 560 C CB . ALA A 1 71 ? 5.757 -11.915 3.353 1.00 84.73 71 A 1 ATOM 561 N N . THR A 1 72 ? 4.674 -12.927 0.518 1.00 86.10 72 A 1 ATOM 562 C CA . THR A 1 72 ? 4.114 -12.719 -0.822 1.00 86.67 72 A 1 ATOM 563 C C . THR A 1 72 ? 2.885 -13.593 -1.056 1.00 89.11 72 A 1 ATOM 564 O O . THR A 1 72 ? 1.869 -13.098 -1.549 1.00 89.48 72 A 1 ATOM 565 C CB . THR A 1 72 ? 5.170 -12.990 -1.903 1.00 84.75 72 A 1 ATOM 566 O OG1 . THR A 1 72 ? 6.271 -12.137 -1.712 1.00 79.89 72 A 1 ATOM 567 C CG2 . THR A 1 72 ? 4.641 -12.722 -3.315 1.00 79.31 72 A 1 ATOM 568 N N . ALA A 1 73 ? 2.935 -14.865 -0.670 1.00 88.87 73 A 1 ATOM 569 C CA . ALA A 1 73 ? 1.790 -15.770 -0.764 1.00 90.00 73 A 1 ATOM 570 C C . ALA A 1 73 ? 0.602 -15.269 0.078 1.00 91.17 73 A 1 ATOM 571 O O . ALA A 1 73 ? -0.513 -15.141 -0.437 1.00 90.90 73 A 1 ATOM 572 C CB . ALA A 1 73 ? 2.242 -17.174 -0.347 1.00 90.80 73 A 1 ATOM 573 N N . LYS A 1 74 ? 0.845 -14.878 1.334 1.00 90.59 74 A 1 ATOM 574 C CA . LYS A 1 74 ? -0.183 -14.301 2.217 1.00 89.68 74 A 1 ATOM 575 C C . LYS A 1 74 ? -0.758 -12.989 1.674 1.00 90.01 74 A 1 ATOM 576 O O . LYS A 1 74 ? -1.966 -12.775 1.746 1.00 89.61 74 A 1 ATOM 577 C CB . LYS A 1 74 ? 0.388 -14.088 3.629 1.00 90.20 74 A 1 ATOM 578 C CG . LYS A 1 74 ? 0.559 -15.413 4.392 1.00 85.05 74 A 1 ATOM 579 C CD . LYS A 1 74 ? 1.069 -15.160 5.820 1.00 79.48 74 A 1 ATOM 580 C CE . LYS A 1 74 ? 1.163 -16.490 6.577 1.00 72.35 74 A 1 ATOM 581 N NZ . LYS A 1 74 ? 1.575 -16.314 7.996 1.00 63.94 74 A 1 ATOM 582 N N . ALA A 1 75 ? 0.079 -12.126 1.099 1.00 91.06 75 A 1 ATOM 583 C CA . ALA A 1 75 ? -0.372 -10.878 0.485 1.00 89.51 75 A 1 ATOM 584 C C . ALA A 1 75 ? -1.270 -11.130 -0.737 1.00 90.61 75 A 1 ATOM 585 O O . ALA A 1 75 ? -2.288 -10.463 -0.893 1.00 90.18 75 A 1 ATOM 586 C CB . ALA A 1 75 ? 0.851 -10.030 0.124 1.00 87.71 75 A 1 ATOM 587 N N . LYS A 1 76 ? -0.937 -12.118 -1.575 1.00 88.75 76 A 1 ATOM 588 C CA . LYS A 1 76 ? -1.764 -12.507 -2.730 1.00 89.09 76 A 1 ATOM 589 C C . LYS A 1 76 ? -3.129 -13.053 -2.314 1.00 90.68 76 A 1 ATOM 590 O O . LYS A 1 76 ? -4.111 -12.745 -2.977 1.00 90.01 76 A 1 ATOM 591 C CB . LYS A 1 76 ? -1.023 -13.540 -3.589 1.00 88.05 76 A 1 ATOM 592 C CG . LYS A 1 76 ? 0.108 -12.927 -4.424 1.00 86.03 76 A 1 ATOM 593 C CD . LYS A 1 76 ? 0.855 -14.029 -5.195 1.00 83.27 76 A 1 ATOM 594 C CE . LYS A 1 76 ? 1.989 -13.441 -6.045 1.00 79.18 76 A 1 ATOM 595 N NZ . LYS A 1 76 ? 2.716 -14.499 -6.795 1.00 72.92 76 A 1 ATOM 596 N N . ALA A 1 77 ? -3.187 -13.816 -1.226 1.00 90.78 77 A 1 ATOM 597 C CA . ALA A 1 77 ? -4.429 -14.376 -0.689 1.00 91.68 77 A 1 ATOM 598 C C . ALA A 1 77 ? -5.278 -13.355 0.099 1.00 92.56 77 A 1 ATOM 599 O O . ALA A 1 77 ? -6.468 -13.569 0.309 1.00 90.65 77 A 1 ATOM 600 C CB . ALA A 1 77 ? -4.057 -15.582 0.181 1.00 92.25 77 A 1 ATOM 601 N N . SER A 1 78 ? -4.694 -12.243 0.538 1.00 91.12 78 A 1 ATOM 602 C CA . SER A 1 78 ? -5.402 -11.237 1.337 1.00 89.38 78 A 1 ATOM 603 C C . SER A 1 78 ? -6.445 -10.488 0.503 1.00 88.90 78 A 1 ATOM 604 O O . SER A 1 78 ? -6.069 -9.844 -0.482 1.00 87.59 78 A 1 ATOM 605 C CB . SER A 1 78 ? -4.405 -10.239 1.921 1.00 88.16 78 A 1 ATOM 606 O OG . SER A 1 78 ? -5.086 -9.214 2.628 1.00 82.33 78 A 1 ATOM 607 N N . PRO A 1 79 ? -7.716 -10.415 0.930 1.00 92.50 79 A 1 ATOM 608 C CA . PRO A 1 79 ? -8.738 -9.626 0.234 1.00 91.18 79 A 1 ATOM 609 C C . PRO A 1 79 ? -8.373 -8.142 0.087 1.00 90.65 79 A 1 ATOM 610 O O . PRO A 1 79 ? -8.713 -7.502 -0.907 1.00 87.90 79 A 1 ATOM 611 C CB . PRO A 1 79 ? -10.015 -9.802 1.063 1.00 90.45 79 A 1 ATOM 612 C CG . PRO A 1 79 ? -9.815 -11.156 1.744 1.00 89.36 79 A 1 ATOM 613 C CD . PRO A 1 79 ? -8.315 -11.183 2.011 1.00 91.49 79 A 1 ATOM 614 N N . LYS A 1 80 ? -7.627 -7.592 1.055 1.00 89.64 80 A 1 ATOM 615 C CA . LYS A 1 80 ? -7.219 -6.176 1.070 1.00 88.30 80 A 1 ATOM 616 C C . LYS A 1 80 ? -6.023 -5.862 0.166 1.00 88.24 80 A 1 ATOM 617 O O . LYS A 1 80 ? -5.892 -4.730 -0.294 1.00 85.36 80 A 1 ATOM 618 C CB . LYS A 1 80 ? -6.921 -5.730 2.509 1.00 87.33 80 A 1 ATOM 619 C CG . LYS A 1 80 ? -8.167 -5.749 3.408 1.00 83.84 80 A 1 ATOM 620 C CD . LYS A 1 80 ? -7.856 -5.188 4.807 1.00 79.33 80 A 1 ATOM 621 C CE . LYS A 1 80 ? -9.123 -5.194 5.668 1.00 74.16 80 A 1 ATOM 622 N NZ . LYS A 1 80 ? -8.889 -4.665 7.035 1.00 64.80 80 A 1 ATOM 623 N N . ALA A 1 81 ? -5.136 -6.815 -0.058 1.00 89.48 81 A 1 ATOM 624 C CA . ALA A 1 81 ? -3.891 -6.619 -0.808 1.00 87.97 81 A 1 ATOM 625 C C . ALA A 1 81 ? -3.847 -7.383 -2.140 1.00 87.85 81 A 1 ATOM 626 O O . ALA A 1 81 ? -3.145 -6.973 -3.066 1.00 84.39 81 A 1 ATOM 627 C CB . ALA A 1 81 ? -2.722 -7.019 0.098 1.00 86.81 81 A 1 ATOM 628 N N . GLY A 1 82 ? -4.594 -8.467 -2.237 1.00 88.55 82 A 1 ATOM 629 C CA . GLY A 1 82 ? -4.673 -9.333 -3.401 1.00 87.01 82 A 1 ATOM 630 C C . GLY A 1 82 ? -5.404 -8.697 -4.587 1.00 88.22 82 A 1 ATOM 631 O O . GLY A 1 82 ? -5.804 -7.531 -4.579 1.00 86.72 82 A 1 ATOM 632 N N . ARG A 1 83 ? -5.576 -9.485 -5.642 1.00 87.37 83 A 1 ATOM 633 C CA . ARG A 1 83 ? -6.147 -9.042 -6.928 1.00 87.40 83 A 1 ATOM 634 C C . ARG A 1 83 ? -7.681 -9.093 -6.955 1.00 89.51 83 A 1 ATOM 635 O O . ARG A 1 83 ? -8.263 -9.471 -7.969 1.00 86.05 83 A 1 ATOM 636 C CB . ARG A 1 83 ? -5.518 -9.861 -8.063 1.00 83.81 83 A 1 ATOM 637 C CG . ARG A 1 83 ? -3.998 -9.662 -8.149 1.00 80.29 83 A 1 ATOM 638 C CD . ARG A 1 83 ? -3.449 -10.604 -9.223 1.00 77.44 83 A 1 ATOM 639 N NE . ARG A 1 83 ? -1.986 -10.499 -9.332 1.00 72.75 83 A 1 ATOM 640 C CZ . ARG A 1 83 ? -1.251 -11.201 -10.173 1.00 66.58 83 A 1 ATOM 641 N NH1 . ARG A 1 83 ? -1.747 -12.135 -10.924 1.00 64.20 83 A 1 ATOM 642 N NH2 . ARG A 1 83 ? 0.015 -10.959 -10.304 1.00 59.10 83 A 1 ATOM 643 N N . PHE A 1 84 ? -8.308 -8.725 -5.848 1.00 86.60 84 A 1 ATOM 644 C CA . PHE A 1 84 ? -9.752 -8.781 -5.650 1.00 87.88 84 A 1 ATOM 645 C C . PHE A 1 84 ? -10.395 -7.398 -5.782 1.00 88.83 84 A 1 ATOM 646 O O . PHE A 1 84 ? -9.708 -6.373 -5.761 1.00 86.68 84 A 1 ATOM 647 C CB . PHE A 1 84 ? -10.034 -9.414 -4.283 1.00 87.41 84 A 1 ATOM 648 C CG . PHE A 1 84 ? -9.343 -10.746 -4.064 1.00 89.19 84 A 1 ATOM 649 C CD1 . PHE A 1 84 ? -9.781 -11.896 -4.748 1.00 84.52 84 A 1 ATOM 650 C CD2 . PHE A 1 84 ? -8.243 -10.836 -3.191 1.00 84.87 84 A 1 ATOM 651 C CE1 . PHE A 1 84 ? -9.123 -13.126 -4.556 1.00 83.07 84 A 1 ATOM 652 C CE2 . PHE A 1 84 ? -7.590 -12.066 -2.997 1.00 84.40 84 A 1 ATOM 653 C CZ . PHE A 1 84 ? -8.030 -13.213 -3.677 1.00 86.73 84 A 1 ATOM 654 N N . GLU A 1 85 ? -11.717 -7.356 -5.880 1.00 86.71 85 A 1 ATOM 655 C CA . GLU A 1 85 ? -12.487 -6.100 -5.874 1.00 87.59 85 A 1 ATOM 656 C C . GLU A 1 85 ? -12.343 -5.342 -4.553 1.00 88.49 85 A 1 ATOM 657 O O . GLU A 1 85 ? -12.307 -4.115 -4.532 1.00 85.36 85 A 1 ATOM 658 C CB . GLU A 1 85 ? -13.965 -6.402 -6.124 1.00 84.13 85 A 1 ATOM 659 C CG . GLU A 1 85 ? -14.174 -7.052 -7.495 1.00 75.45 85 A 1 ATOM 660 C CD . GLU A 1 85 ? -15.654 -7.175 -7.869 1.00 74.35 85 A 1 ATOM 661 O OE1 . GLU A 1 85 ? -15.891 -7.370 -9.081 1.00 66.01 85 A 1 ATOM 662 O OE2 . GLU A 1 85 ? -16.497 -7.053 -6.957 1.00 68.93 85 A 1 ATOM 663 N N . THR A 1 86 ? -12.153 -6.078 -3.460 1.00 87.75 86 A 1 ATOM 664 C CA . THR A 1 86 ? -11.972 -5.546 -2.099 1.00 87.03 86 A 1 ATOM 665 C C . THR A 1 86 ? -10.587 -4.940 -1.840 1.00 87.51 86 A 1 ATOM 666 O O . THR A 1 86 ? -10.301 -4.509 -0.720 1.00 85.38 86 A 1 ATOM 667 C CB . THR A 1 86 ? -12.250 -6.648 -1.069 1.00 86.16 86 A 1 ATOM 668 O OG1 . THR A 1 86 ? -11.419 -7.758 -1.322 1.00 84.13 86 A 1 ATOM 669 C CG2 . THR A 1 86 ? -13.692 -7.151 -1.127 1.00 82.10 86 A 1 ATOM 670 N N . ASN A 1 87 ? -9.705 -4.904 -2.841 1.00 86.98 87 A 1 ATOM 671 C CA . ASN A 1 87 ? -8.373 -4.329 -2.695 1.00 86.83 87 A 1 ATOM 672 C C . ASN A 1 87 ? -8.465 -2.852 -2.273 1.00 87.30 87 A 1 ATOM 673 O O . ASN A 1 87 ? -9.147 -2.050 -2.905 1.00 85.33 87 A 1 ATOM 674 C CB . ASN A 1 87 ? -7.589 -4.511 -4.000 1.00 85.19 87 A 1 ATOM 675 C CG . ASN A 1 87 ? -6.131 -4.101 -3.867 1.00 83.53 87 A 1 ATOM 676 O OD1 . ASN A 1 87 ? -5.779 -2.956 -3.616 1.00 75.96 87 A 1 ATOM 677 N ND2 . ASN A 1 87 ? -5.221 -5.023 -4.009 1.00 76.30 87 A 1 ATOM 678 N N . THR A 1 88 ? -7.692 -2.462 -1.257 1.00 87.95 88 A 1 ATOM 679 C CA . THR A 1 88 ? -7.710 -1.096 -0.697 1.00 87.68 88 A 1 ATOM 680 C C . THR A 1 88 ? -7.335 0.007 -1.692 1.00 87.72 88 A 1 ATOM 681 O O . THR A 1 88 ? -7.635 1.179 -1.473 1.00 85.28 88 A 1 ATOM 682 C CB . THR A 1 88 ? -6.752 -0.989 0.494 1.00 86.27 88 A 1 ATOM 683 O OG1 . THR A 1 88 ? -5.457 -1.407 0.131 1.00 77.01 88 A 1 ATOM 684 C CG2 . THR A 1 88 ? -7.203 -1.836 1.683 1.00 75.58 88 A 1 ATOM 685 N N . LYS A 1 89 ? -6.666 -0.341 -2.790 1.00 87.49 89 A 1 ATOM 686 C CA . LYS A 1 89 ? -6.300 0.588 -3.872 1.00 86.79 89 A 1 ATOM 687 C C . LYS A 1 89 ? -7.266 0.535 -5.059 1.00 88.88 89 A 1 ATOM 688 O O . LYS A 1 89 ? -7.042 1.249 -6.043 1.00 87.23 89 A 1 ATOM 689 C CB . LYS A 1 89 ? -4.856 0.333 -4.327 1.00 85.08 89 A 1 ATOM 690 C CG . LYS A 1 89 ? -3.835 0.544 -3.198 1.00 81.15 89 A 1 ATOM 691 C CD . LYS A 1 89 ? -2.408 0.354 -3.726 1.00 75.20 89 A 1 ATOM 692 C CE . LYS A 1 89 ? -1.410 0.564 -2.584 1.00 68.90 89 A 1 ATOM 693 N NZ . LYS A 1 89 ? -0.011 0.339 -3.021 1.00 60.74 89 A 1 ATOM 694 N N . ALA A 1 90 ? -8.278 -0.316 -5.002 1.00 88.65 90 A 1 ATOM 695 C CA . ALA A 1 90 ? -9.277 -0.417 -6.048 1.00 89.06 90 A 1 ATOM 696 C C . ALA A 1 90 ? -10.089 0.885 -6.140 1.00 90.05 90 A 1 ATOM 697 O O . ALA A 1 90 ? -10.243 1.632 -5.177 1.00 88.68 90 A 1 ATOM 698 C CB . ALA A 1 90 ? -10.148 -1.651 -5.807 1.00 87.62 90 A 1 ATOM 699 N N . LYS A 1 91 ? -10.561 1.174 -7.345 1.00 90.84 91 A 1 ATOM 700 C CA . LYS A 1 91 ? -11.483 2.273 -7.631 1.00 91.55 91 A 1 ATOM 701 C C . LYS A 1 91 ? -12.715 1.684 -8.284 1.00 92.80 91 A 1 ATOM 702 O O . LYS A 1 91 ? -12.597 0.657 -8.955 1.00 91.76 91 A 1 ATOM 703 C CB . LYS A 1 91 ? -10.841 3.297 -8.566 1.00 90.45 91 A 1 ATOM 704 C CG . LYS A 1 91 ? -9.568 3.942 -8.012 1.00 87.82 91 A 1 ATOM 705 C CD . LYS A 1 91 ? -9.058 4.925 -9.068 1.00 84.49 91 A 1 ATOM 706 C CE . LYS A 1 91 ? -7.696 5.506 -8.717 1.00 78.48 91 A 1 ATOM 707 N NZ . LYS A 1 91 ? -7.190 6.296 -9.867 1.00 70.28 91 A 1 ATOM 708 N N . THR A 1 92 ? -13.835 2.373 -8.151 1.00 92.72 92 A 1 ATOM 709 C CA . THR A 1 92 ? -15.079 2.007 -8.816 1.00 93.71 92 A 1 ATOM 710 C C . THR A 1 92 ? -15.168 2.731 -10.152 1.00 94.31 92 A 1 ATOM 711 O O . THR A 1 92 ? -15.044 3.953 -10.234 1.00 93.16 92 A 1 ATOM 712 C CB . THR A 1 92 ? -16.281 2.259 -7.899 1.00 92.71 92 A 1 ATOM 713 O OG1 . THR A 1 92 ? -16.083 1.469 -6.746 1.00 86.94 92 A 1 ATOM 714 C CG2 . THR A 1 92 ? -17.592 1.814 -8.534 1.00 85.17 92 A 1 ATOM 715 N N . TRP A 1 93 ? -15.304 1.957 -11.213 1.00 95.33 93 A 1 ATOM 716 C CA . TRP A 1 93 ? -15.352 2.400 -12.599 1.00 95.50 93 A 1 ATOM 717 C C . TRP A 1 93 ? -16.756 2.210 -13.146 1.00 96.12 93 A 1 ATOM 718 O O . TRP A 1 93 ? -17.349 1.158 -12.931 1.00 95.28 93 A 1 ATOM 719 C CB . TRP A 1 93 ? -14.367 1.582 -13.438 1.00 95.02 93 A 1 ATOM 720 C CG . TRP A 1 93 ? -12.922 1.713 -13.070 1.00 94.95 93 A 1 ATOM 721 C CD1 . TRP A 1 93 ? -12.336 1.187 -11.970 1.00 93.16 93 A 1 ATOM 722 C CD2 . TRP A 1 93 ? -11.868 2.420 -13.785 1.00 94.89 93 A 1 ATOM 723 N NE1 . TRP A 1 93 ? -11.001 1.531 -11.946 1.00 93.29 93 A 1 ATOM 724 C CE2 . TRP A 1 93 ? -10.655 2.292 -13.045 1.00 94.40 93 A 1 ATOM 725 C CE3 . TRP A 1 93 ? -11.821 3.164 -14.984 1.00 93.77 93 A 1 ATOM 726 C CZ2 . TRP A 1 93 ? -9.459 2.880 -13.470 1.00 93.58 93 A 1 ATOM 727 C CZ3 . TRP A 1 93 ? -10.624 3.752 -15.422 1.00 92.86 93 A 1 ATOM 728 C CH2 . TRP A 1 93 ? -9.442 3.615 -14.667 1.00 92.09 93 A 1 ATOM 729 N N . THR A 1 94 ? -17.224 3.173 -13.926 1.00 94.81 94 A 1 ATOM 730 C CA . THR A 1 94 ? -18.397 3.004 -14.782 1.00 95.12 94 A 1 ATOM 731 C C . THR A 1 94 ? -17.974 3.241 -16.223 1.00 95.19 94 A 1 ATOM 732 O O . THR A 1 94 ? -17.580 4.350 -16.593 1.00 94.24 94 A 1 ATOM 733 C CB . THR A 1 94 ? -19.550 3.924 -14.367 1.00 95.07 94 A 1 ATOM 734 O OG1 . THR A 1 94 ? -19.840 3.741 -13.000 1.00 90.86 94 A 1 ATOM 735 C CG2 . THR A 1 94 ? -20.831 3.618 -15.135 1.00 89.82 94 A 1 ATOM 736 N N . LEU A 1 95 ? -18.016 2.184 -17.027 1.00 96.13 95 A 1 ATOM 737 C CA . LEU A 1 95 ? -17.630 2.198 -18.434 1.00 96.14 95 A 1 ATOM 738 C C . LEU A 1 95 ? -18.836 1.904 -19.320 1.00 96.47 95 A 1 ATOM 739 O O . LEU A 1 95 ? -19.700 1.110 -18.966 1.00 96.02 95 A 1 ATOM 740 C CB . LEU A 1 95 ? -16.505 1.182 -18.704 1.00 95.55 95 A 1 ATOM 741 C CG . LEU A 1 95 ? -15.179 1.418 -17.962 1.00 94.19 95 A 1 ATOM 742 C CD1 . LEU A 1 95 ? -14.149 0.392 -18.441 1.00 90.76 95 A 1 ATOM 743 C CD2 . LEU A 1 95 ? -14.588 2.803 -18.221 1.00 91.30 95 A 1 ATOM 744 N N . LYS A 1 96 ? -18.865 2.509 -20.504 1.00 95.55 96 A 1 ATOM 745 C CA . LYS A 1 96 ? -19.790 2.188 -21.589 1.00 95.47 96 A 1 ATOM 746 C C . LYS A 1 96 ? -19.046 1.389 -22.657 1.00 95.57 96 A 1 ATOM 747 O O . LYS A 1 96 ? -18.021 1.853 -23.148 1.00 94.77 96 A 1 ATOM 748 C CB . LYS A 1 96 ? -20.412 3.490 -22.116 1.00 94.88 96 A 1 ATOM 749 C CG . LYS A 1 96 ? -21.603 3.197 -23.026 1.00 92.08 96 A 1 ATOM 750 C CD . LYS A 1 96 ? -22.347 4.485 -23.418 1.00 88.29 96 A 1 ATOM 751 C CE . LYS A 1 96 ? -23.534 4.055 -24.275 1.00 80.95 96 A 1 ATOM 752 N NZ . LYS A 1 96 ? -24.349 5.160 -24.813 1.00 73.62 96 A 1 ATOM 753 N N . SER A 1 97 ? -19.546 0.201 -22.989 1.00 96.61 97 A 1 ATOM 754 C CA . SER A 1 97 ? -18.985 -0.670 -24.026 1.00 96.30 97 A 1 ATOM 755 C C . SER A 1 97 ? -19.313 -0.156 -25.436 1.00 96.29 97 A 1 ATOM 756 O O . SER A 1 97 ? -20.195 0.698 -25.586 1.00 95.66 97 A 1 ATOM 757 C CB . SER A 1 97 ? -19.477 -2.111 -23.839 1.00 95.61 97 A 1 ATOM 758 O OG . SER A 1 97 ? -20.822 -2.261 -24.244 1.00 93.11 97 A 1 ATOM 759 N N . PRO A 1 98 ? -18.636 -0.676 -26.472 1.00 96.34 98 A 1 ATOM 760 C CA . PRO A 1 98 ? -18.997 -0.431 -27.870 1.00 95.61 98 A 1 ATOM 761 C C . PRO A 1 98 ? -20.470 -0.745 -28.170 1.00 95.66 98 A 1 ATOM 762 O O . PRO A 1 98 ? -21.125 0.021 -28.868 1.00 93.20 98 A 1 ATOM 763 C CB . PRO A 1 98 ? -18.053 -1.322 -28.695 1.00 94.63 98 A 1 ATOM 764 C CG . PRO A 1 98 ? -16.853 -1.527 -27.778 1.00 93.51 98 A 1 ATOM 765 C CD . PRO A 1 98 ? -17.475 -1.553 -26.393 1.00 95.81 98 A 1 ATOM 766 N N . ASP A 1 99 ? -21.024 -1.787 -27.533 1.00 96.05 99 A 1 ATOM 767 C CA . ASP A 1 99 ? -22.427 -2.212 -27.689 1.00 95.94 99 A 1 ATOM 768 C C . ASP A 1 99 ? -23.420 -1.375 -26.856 1.00 96.64 99 A 1 ATOM 769 O O . ASP A 1 99 ? -24.552 -1.797 -26.586 1.00 94.76 99 A 1 ATOM 770 C CB . ASP A 1 99 ? -22.570 -3.696 -27.315 1.00 94.31 99 A 1 ATOM 771 C CG . ASP A 1 99 ? -21.534 -4.582 -27.991 1.00 88.89 99 A 1 ATOM 772 O OD1 . ASP A 1 99 ? -21.278 -4.370 -29.195 1.00 80.09 99 A 1 ATOM 773 O OD2 . ASP A 1 99 ? -20.966 -5.405 -27.240 1.00 80.68 99 A 1 ATOM 774 N N . ASN A 1 100 ? -23.009 -0.194 -26.396 1.00 95.08 100 A 1 ATOM 775 C CA . ASN A 1 100 ? -23.803 0.702 -25.555 1.00 95.77 100 A 1 ATOM 776 C C . ASN A 1 100 ? -24.233 0.134 -24.185 1.00 96.41 100 A 1 ATOM 777 O O . ASN A 1 100 ? -25.012 0.790 -23.485 1.00 94.58 100 A 1 ATOM 778 C CB . ASN A 1 100 ? -24.974 1.295 -26.363 1.00 94.26 100 A 1 ATOM 779 C CG . ASN A 1 100 ? -24.514 2.304 -27.395 1.00 89.94 100 A 1 ATOM 780 O OD1 . ASN A 1 100 ? -23.901 3.310 -27.060 1.00 81.59 100 A 1 ATOM 781 N ND2 . ASN A 1 100 ? -24.841 2.117 -28.648 1.00 80.24 100 A 1 ATOM 782 N N . LYS A 1 101 ? -23.691 -1.003 -23.739 1.00 96.10 101 A 1 ATOM 783 C CA . LYS A 1 101 ? -23.927 -1.538 -22.390 1.00 96.30 101 A 1 ATOM 784 C C . LYS A 1 101 ? -23.073 -0.798 -21.366 1.00 96.67 101 A 1 ATOM 785 O O . LYS A 1 101 ? -21.915 -0.471 -21.618 1.00 95.52 101 A 1 ATOM 786 C CB . LYS A 1 101 ? -23.678 -3.050 -22.345 1.00 95.88 101 A 1 ATOM 787 C CG . LYS A 1 101 ? -24.679 -3.822 -23.223 1.00 91.93 101 A 1 ATOM 788 C CD . LYS A 1 101 ? -24.420 -5.330 -23.166 1.00 87.70 101 A 1 ATOM 789 C CE . LYS A 1 101 ? -25.414 -6.059 -24.075 1.00 81.64 101 A 1 ATOM 790 N NZ . LYS A 1 101 ? -25.143 -7.522 -24.150 1.00 72.47 101 A 1 ATOM 791 N N . THR A 1 102 ? -23.648 -0.552 -20.195 1.00 96.91 102 A 1 ATOM 792 C CA . THR A 1 102 ? -22.947 0.098 -19.084 1.00 97.19 102 A 1 ATOM 793 C C . THR A 1 102 ? -22.492 -0.949 -18.075 1.00 97.23 102 A 1 ATOM 794 O O . THR A 1 102 ? -23.286 -1.770 -17.630 1.00 95.92 102 A 1 ATOM 795 C CB . THR A 1 102 ? -23.819 1.172 -18.422 1.00 96.30 102 A 1 ATOM 796 O OG1 . THR A 1 102 ? -24.150 2.147 -19.390 1.00 91.26 102 A 1 ATOM 797 C CG2 . THR A 1 102 ? -23.092 1.904 -17.295 1.00 89.99 102 A 1 ATOM 798 N N . TYR A 1 103 ? -21.225 -0.901 -17.701 1.00 96.62 103 A 1 ATOM 799 C CA . TYR A 1 103 ? -20.614 -1.775 -16.707 1.00 96.53 103 A 1 ATOM 800 C C . TYR A 1 103 ? -20.102 -0.934 -15.544 1.00 96.70 103 A 1 ATOM 801 O O . TYR A 1 103 ? -19.282 -0.039 -15.741 1.00 95.77 103 A 1 ATOM 802 C CB . TYR A 1 103 ? -19.476 -2.585 -17.344 1.00 96.58 103 A 1 ATOM 803 C CG . TYR A 1 103 ? -19.935 -3.548 -18.419 1.00 97.08 103 A 1 ATOM 804 C CD1 . TYR A 1 103 ? -20.290 -4.868 -18.077 1.00 94.55 103 A 1 ATOM 805 C CD2 . TYR A 1 103 ? -20.017 -3.127 -19.762 1.00 95.02 103 A 1 ATOM 806 C CE1 . TYR A 1 103 ? -20.716 -5.767 -19.069 1.00 94.35 103 A 1 ATOM 807 C CE2 . TYR A 1 103 ? -20.450 -4.022 -20.758 1.00 94.84 103 A 1 ATOM 808 C CZ . TYR A 1 103 ? -20.795 -5.346 -20.411 1.00 95.80 103 A 1 ATOM 809 O OH . TYR A 1 103 ? -21.206 -6.217 -21.373 1.00 94.87 103 A 1 ATOM 810 N N . THR A 1 104 ? -20.560 -1.249 -14.337 1.00 95.99 104 A 1 ATOM 811 C CA . THR A 1 104 ? -20.047 -0.655 -13.098 1.00 95.90 104 A 1 ATOM 812 C C . THR A 1 104 ? -19.367 -1.746 -12.284 1.00 95.50 104 A 1 ATOM 813 O O . THR A 1 104 ? -19.976 -2.768 -11.991 1.00 93.87 104 A 1 ATOM 814 C CB . THR A 1 104 ? -21.152 0.041 -12.292 1.00 95.39 104 A 1 ATOM 815 O OG1 . THR A 1 104 ? -21.719 1.064 -13.082 1.00 89.86 104 A 1 ATOM 816 C CG2 . THR A 1 104 ? -20.616 0.710 -11.027 1.00 87.70 104 A 1 ATOM 817 N N . PHE A 1 105 ? -18.106 -1.540 -11.942 1.00 94.94 105 A 1 ATOM 818 C CA . PHE A 1 105 ? -17.297 -2.541 -11.253 1.00 94.77 105 A 1 ATOM 819 C C . PHE A 1 105 ? -16.185 -1.886 -10.435 1.00 94.97 105 A 1 ATOM 820 O O . PHE A 1 105 ? -15.733 -0.778 -10.725 1.00 94.30 105 A 1 ATOM 821 C CB . PHE A 1 105 ? -16.698 -3.512 -12.278 1.00 94.73 105 A 1 ATOM 822 C CG . PHE A 1 105 ? -15.848 -2.846 -13.349 1.00 95.48 105 A 1 ATOM 823 C CD1 . PHE A 1 105 ? -16.416 -2.524 -14.596 1.00 93.17 105 A 1 ATOM 824 C CD2 . PHE A 1 105 ? -14.500 -2.531 -13.101 1.00 93.66 105 A 1 ATOM 825 C CE1 . PHE A 1 105 ? -15.638 -1.900 -15.583 1.00 92.70 105 A 1 ATOM 826 C CE2 . PHE A 1 105 ? -13.724 -1.901 -14.090 1.00 93.07 105 A 1 ATOM 827 C CZ . PHE A 1 105 ? -14.293 -1.589 -15.331 1.00 94.22 105 A 1 ATOM 828 N N . THR A 1 106 ? -15.684 -2.615 -9.451 1.00 93.61 106 A 1 ATOM 829 C CA . THR A 1 106 ? -14.527 -2.201 -8.657 1.00 92.16 106 A 1 ATOM 830 C C . THR A 1 106 ? -13.294 -2.982 -9.096 1.00 90.96 106 A 1 ATOM 831 O O . THR A 1 106 ? -13.344 -4.183 -9.332 1.00 88.02 106 A 1 ATOM 832 C CB . THR A 1 106 ? -14.830 -2.345 -7.160 1.00 90.71 106 A 1 ATOM 833 O OG1 . THR A 1 106 ? -15.963 -1.564 -6.853 1.00 83.79 106 A 1 ATOM 834 C CG2 . THR A 1 106 ? -13.704 -1.820 -6.282 1.00 80.96 106 A 1 ATOM 835 N N . ASN A 1 107 ? -12.146 -2.293 -9.210 1.00 93.67 107 A 1 ATOM 836 C CA . ASN A 1 107 ? -10.885 -2.857 -9.689 1.00 93.40 107 A 1 ATOM 837 C C . ASN A 1 107 ? -10.873 -3.228 -11.192 1.00 94.03 107 A 1 ATOM 838 O O . ASN A 1 107 ? -11.171 -4.350 -11.594 1.00 93.40 107 A 1 ATOM 839 C CB . ASN A 1 107 ? -10.458 -4.009 -8.763 1.00 91.72 107 A 1 ATOM 840 C CG . ASN A 1 107 ? -9.031 -4.480 -8.950 1.00 90.44 107 A 1 ATOM 841 O OD1 . ASN A 1 107 ? -8.347 -4.212 -9.936 1.00 85.96 107 A 1 ATOM 842 N ND2 . ASN A 1 107 ? -8.523 -5.210 -7.985 1.00 84.14 107 A 1 ATOM 843 N N . LEU A 1 108 ? -10.372 -2.304 -12.006 1.00 94.12 108 A 1 ATOM 844 C CA . LEU A 1 108 ? -10.228 -2.470 -13.460 1.00 94.87 108 A 1 ATOM 845 C C . LEU A 1 108 ? -9.475 -3.747 -13.867 1.00 95.13 108 A 1 ATOM 846 O O . LEU A 1 108 ? -9.864 -4.432 -14.807 1.00 94.67 108 A 1 ATOM 847 C CB . LEU A 1 108 ? -9.492 -1.226 -13.997 1.00 95.06 108 A 1 ATOM 848 C CG . LEU A 1 108 ? -9.222 -1.248 -15.512 1.00 94.60 108 A 1 ATOM 849 C CD1 . LEU A 1 108 ? -10.511 -1.261 -16.323 1.00 91.58 108 A 1 ATOM 850 C CD2 . LEU A 1 108 ? -8.415 -0.015 -15.906 1.00 91.64 108 A 1 ATOM 851 N N . MET A 1 109 ? -8.397 -4.071 -13.174 1.00 94.78 109 A 1 ATOM 852 C CA . MET A 1 109 ? -7.578 -5.245 -13.502 1.00 94.00 109 A 1 ATOM 853 C C . MET A 1 109 ? -8.324 -6.552 -13.221 1.00 94.41 109 A 1 ATOM 854 O O . MET A 1 109 ? -8.140 -7.525 -13.946 1.00 93.45 109 A 1 ATOM 855 C CB . MET A 1 109 ? -6.277 -5.222 -12.690 1.00 92.52 109 A 1 ATOM 856 C CG . MET A 1 109 ? -5.420 -3.985 -12.963 1.00 87.33 109 A 1 ATOM 857 S SD . MET A 1 109 ? -4.754 -3.858 -14.640 1.00 80.83 109 A 1 ATOM 858 C CE . MET A 1 109 ? -3.459 -5.126 -14.555 1.00 70.78 109 A 1 ATOM 859 N N . HIS A 1 110 ? -9.140 -6.572 -12.168 1.00 94.36 110 A 1 ATOM 860 C CA . HIS A 1 110 ? -9.997 -7.704 -11.846 1.00 93.87 110 A 1 ATOM 861 C C . HIS A 1 110 ? -11.091 -7.871 -12.901 1.00 94.15 110 A 1 ATOM 862 O O . HIS A 1 110 ? -11.201 -8.949 -13.470 1.00 93.79 110 A 1 ATOM 863 C CB . HIS A 1 110 ? -10.567 -7.539 -10.434 1.00 93.29 110 A 1 ATOM 864 C CG . HIS A 1 110 ? -11.365 -8.737 -10.002 1.00 92.78 110 A 1 ATOM 865 N ND1 . HIS A 1 110 ? -10.851 -9.936 -9.569 1.00 84.26 110 A 1 ATOM 866 C CD2 . HIS A 1 110 ? -12.724 -8.850 -9.989 1.00 84.30 110 A 1 ATOM 867 C CE1 . HIS A 1 110 ? -11.879 -10.751 -9.300 1.00 85.43 110 A 1 ATOM 868 N NE2 . HIS A 1 110 ? -13.036 -10.133 -9.542 1.00 87.04 110 A 1 ATOM 869 N N . PHE A 1 111 ? -11.787 -6.785 -13.260 1.00 94.51 111 A 1 ATOM 870 C CA . PHE A 1 111 ? -12.834 -6.794 -14.284 1.00 95.32 111 A 1 ATOM 871 C C . PHE A 1 111 ? -12.351 -7.349 -15.632 1.00 96.11 111 A 1 ATOM 872 O O . PHE A 1 111 ? -12.982 -8.237 -16.191 1.00 96.07 111 A 1 ATOM 873 C CB . PHE A 1 111 ? -13.371 -5.369 -14.453 1.00 95.85 111 A 1 ATOM 874 C CG . PHE A 1 111 ? -14.384 -5.240 -15.574 1.00 96.52 111 A 1 ATOM 875 C CD1 . PHE A 1 111 ? -14.013 -4.662 -16.804 1.00 95.23 111 A 1 ATOM 876 C CD2 . PHE A 1 111 ? -15.688 -5.732 -15.399 1.00 95.67 111 A 1 ATOM 877 C CE1 . PHE A 1 111 ? -14.947 -4.570 -17.849 1.00 95.58 111 A 1 ATOM 878 C CE2 . PHE A 1 111 ? -16.620 -5.642 -16.447 1.00 95.75 111 A 1 ATOM 879 C CZ . PHE A 1 111 ? -16.252 -5.059 -17.670 1.00 96.51 111 A 1 ATOM 880 N N . VAL A 1 112 ? -11.208 -6.875 -16.143 1.00 96.37 112 A 1 ATOM 881 C CA . VAL A 1 112 ? -10.646 -7.372 -17.414 1.00 96.76 112 A 1 ATOM 882 C C . VAL A 1 112 ? -10.268 -8.852 -17.318 1.00 96.76 112 A 1 ATOM 883 O O . VAL A 1 112 ? -10.411 -9.588 -18.286 1.00 96.28 112 A 1 ATOM 884 C CB . VAL A 1 112 ? -9.436 -6.521 -17.844 1.00 96.99 112 A 1 ATOM 885 C CG1 . VAL A 1 112 ? -8.749 -7.058 -19.104 1.00 95.94 112 A 1 ATOM 886 C CG2 . VAL A 1 112 ? -9.850 -5.073 -18.153 1.00 95.22 112 A 1 ATOM 887 N N . ARG A 1 113 ? -9.797 -9.311 -16.153 1.00 95.68 113 A 1 ATOM 888 C CA . ARG A 1 113 ? -9.416 -10.717 -15.940 1.00 94.98 113 A 1 ATOM 889 C C . ARG A 1 113 ? -10.630 -11.649 -15.881 1.00 95.91 113 A 1 ATOM 890 O O . ARG A 1 113 ? -10.543 -12.763 -16.382 1.00 95.55 113 A 1 ATOM 891 C CB . ARG A 1 113 ? -8.558 -10.821 -14.673 1.00 93.24 113 A 1 ATOM 892 C CG . ARG A 1 113 ? -7.972 -12.223 -14.476 1.00 88.22 113 A 1 ATOM 893 C CD . ARG A 1 113 ? -7.114 -12.330 -13.211 1.00 87.30 113 A 1 ATOM 894 N NE . ARG A 1 113 ? -5.843 -11.582 -13.315 1.00 82.33 113 A 1 ATOM 895 C CZ . ARG A 1 113 ? -5.543 -10.430 -12.770 1.00 80.59 113 A 1 ATOM 896 N NH1 . ARG A 1 113 ? -6.396 -9.766 -12.040 1.00 71.19 113 A 1 ATOM 897 N NH2 . ARG A 1 113 ? -4.360 -9.923 -12.939 1.00 73.45 113 A 1 ATOM 898 N N . THR A 1 114 ? -11.720 -11.200 -15.271 1.00 95.22 114 A 1 ATOM 899 C CA . THR A 1 114 ? -12.938 -12.013 -15.113 1.00 95.20 114 A 1 ATOM 900 C C . THR A 1 114 ? -13.866 -11.949 -16.324 1.00 96.02 114 A 1 ATOM 901 O O . THR A 1 114 ? -14.689 -12.843 -16.493 1.00 95.40 114 A 1 ATOM 902 C CB . THR A 1 114 ? -13.713 -11.619 -13.846 1.00 94.36 114 A 1 ATOM 903 O OG1 . THR A 1 114 ? -14.008 -10.244 -13.844 1.00 89.93 114 A 1 ATOM 904 C CG2 . THR A 1 114 ? -12.902 -11.916 -12.583 1.00 86.25 114 A 1 ATOM 905 N N . ASN A 1 115 ? -13.715 -10.944 -17.190 1.00 96.36 115 A 1 ATOM 906 C CA . ASN A 1 115 ? -14.557 -10.735 -18.369 1.00 96.78 115 A 1 ATOM 907 C C . ASN A 1 115 ? -13.738 -10.654 -19.671 1.00 97.44 115 A 1 ATOM 908 O O . ASN A 1 115 ? -13.881 -9.685 -20.422 1.00 96.74 115 A 1 ATOM 909 C CB . ASN A 1 115 ? -15.445 -9.498 -18.154 1.00 96.47 115 A 1 ATOM 910 C CG . ASN A 1 115 ? -16.323 -9.611 -16.929 1.00 95.99 115 A 1 ATOM 911 O OD1 . ASN A 1 115 ? -17.414 -10.147 -16.974 1.00 87.10 115 A 1 ATOM 912 N ND2 . ASN A 1 115 ? -15.871 -9.116 -15.803 1.00 88.10 115 A 1 ATOM 913 N N . PRO A 1 116 ? -12.878 -11.634 -19.983 1.00 97.46 116 A 1 ATOM 914 C CA . PRO A 1 116 ? -12.039 -11.580 -21.184 1.00 97.50 116 A 1 ATOM 915 C C . PRO A 1 116 ? -12.862 -11.586 -22.481 1.00 97.75 116 A 1 ATOM 916 O O . PRO A 1 116 ? -12.441 -10.996 -23.465 1.00 96.94 116 A 1 ATOM 917 C CB . PRO A 1 116 ? -11.124 -12.805 -21.080 1.00 96.92 116 A 1 ATOM 918 C CG . PRO A 1 116 ? -11.947 -13.798 -20.256 1.00 95.86 116 A 1 ATOM 919 C CD . PRO A 1 116 ? -12.689 -12.892 -19.282 1.00 97.10 116 A 1 ATOM 920 N N . HIS A 1 117 ? -14.050 -12.172 -22.460 1.00 97.69 117 A 1 ATOM 921 C CA . HIS A 1 117 ? -14.973 -12.263 -23.600 1.00 97.57 117 A 1 ATOM 922 C C . HIS A 1 117 ? -15.522 -10.907 -24.081 1.00 97.69 117 A 1 ATOM 923 O O . HIS A 1 117 ? -16.074 -10.834 -25.171 1.00 96.81 117 A 1 ATOM 924 C CB . HIS A 1 117 ? -16.134 -13.192 -23.213 1.00 97.33 117 A 1 ATOM 925 C CG . HIS A 1 117 ? -16.980 -12.651 -22.081 1.00 96.68 117 A 1 ATOM 926 N ND1 . HIS A 1 117 ? -16.750 -12.815 -20.730 1.00 90.11 117 A 1 ATOM 927 C CD2 . HIS A 1 117 ? -18.110 -11.881 -22.200 1.00 90.82 117 A 1 ATOM 928 C CE1 . HIS A 1 117 ? -17.718 -12.163 -20.061 1.00 91.48 117 A 1 ATOM 929 N NE2 . HIS A 1 117 ? -18.567 -11.576 -20.915 1.00 93.27 117 A 1 ATOM 930 N N . LEU A 1 118 ? -15.384 -9.846 -23.283 1.00 97.08 118 A 1 ATOM 931 C CA . LEU A 1 118 ? -15.789 -8.489 -23.667 1.00 97.00 118 A 1 ATOM 932 C C . LEU A 1 118 ? -14.741 -7.768 -24.526 1.00 97.17 118 A 1 ATOM 933 O O . LEU A 1 118 ? -14.976 -6.641 -24.959 1.00 96.02 118 A 1 ATOM 934 C CB . LEU A 1 118 ? -16.086 -7.665 -22.403 1.00 96.88 118 A 1 ATOM 935 C CG . LEU A 1 118 ? -17.230 -8.182 -21.514 1.00 96.35 118 A 1 ATOM 936 C CD1 . LEU A 1 118 ? -17.403 -7.227 -20.331 1.00 93.38 118 A 1 ATOM 937 C CD2 . LEU A 1 118 ? -18.562 -8.263 -22.261 1.00 93.70 118 A 1 ATOM 938 N N . PHE A 1 119 ? -13.582 -8.373 -24.716 1.00 96.83 119 A 1 ATOM 939 C CA . PHE A 1 119 ? -12.438 -7.773 -25.392 1.00 96.81 119 A 1 ATOM 940 C C . PHE A 1 119 ? -11.900 -8.705 -26.475 1.00 97.19 119 A 1 ATOM 941 O O . PHE A 1 119 ? -12.084 -9.919 -26.405 1.00 96.37 119 A 1 ATOM 942 C CB . PHE A 1 119 ? -11.345 -7.459 -24.363 1.00 96.62 119 A 1 ATOM 943 C CG . PHE A 1 119 ? -11.797 -6.623 -23.183 1.00 97.17 119 A 1 ATOM 944 C CD1 . PHE A 1 119 ? -11.965 -5.237 -23.324 1.00 95.45 119 A 1 ATOM 945 C CD2 . PHE A 1 119 ? -12.090 -7.238 -21.953 1.00 95.77 119 A 1 ATOM 946 C CE1 . PHE A 1 119 ? -12.430 -4.469 -22.243 1.00 95.33 119 A 1 ATOM 947 C CE2 . PHE A 1 119 ? -12.554 -6.470 -20.871 1.00 95.64 119 A 1 ATOM 948 C CZ . PHE A 1 119 ? -12.728 -5.086 -21.015 1.00 96.28 119 A 1 ATOM 949 N N . ASP A 1 120 ? -11.162 -8.134 -27.437 1.00 97.07 120 A 1 ATOM 950 C CA . ASP A 1 120 ? -10.451 -8.934 -28.431 1.00 97.03 120 A 1 ATOM 951 C C . ASP A 1 120 ? -9.417 -9.849 -27.744 1.00 97.49 120 A 1 ATOM 952 O O . ASP A 1 120 ? -8.718 -9.396 -26.829 1.00 97.03 120 A 1 ATOM 953 C CB . ASP A 1 120 ? -9.738 -8.030 -29.447 1.00 96.00 120 A 1 ATOM 954 C CG . ASP A 1 120 ? -10.678 -7.119 -30.235 1.00 90.95 120 A 1 ATOM 955 O OD1 . ASP A 1 120 ? -11.758 -7.592 -30.627 1.00 84.02 120 A 1 ATOM 956 O OD2 . ASP A 1 120 ? -10.286 -5.938 -30.427 1.00 83.39 120 A 1 ATOM 957 N N . PRO A 1 121 ? -9.230 -11.095 -28.196 1.00 97.53 121 A 1 ATOM 958 C CA . PRO A 1 121 ? -8.280 -12.031 -27.584 1.00 97.53 121 A 1 ATOM 959 C C . PRO A 1 121 ? -6.860 -11.464 -27.438 1.00 97.66 121 A 1 ATOM 960 O O . PRO A 1 121 ? -6.220 -11.625 -26.398 1.00 96.69 121 A 1 ATOM 961 C CB . PRO A 1 121 ? -8.305 -13.270 -28.486 1.00 97.01 121 A 1 ATOM 962 C CG . PRO A 1 121 ? -9.720 -13.260 -29.070 1.00 95.22 121 A 1 ATOM 963 C CD . PRO A 1 121 ? -10.003 -11.771 -29.239 1.00 97.20 121 A 1 ATOM 964 N N . ASP A 1 122 ? -6.395 -10.703 -28.436 1.00 97.18 122 A 1 ATOM 965 C CA . ASP A 1 122 ? -5.066 -10.074 -28.435 1.00 97.13 122 A 1 ATOM 966 C C . ASP A 1 122 ? -4.895 -8.973 -27.378 1.00 97.34 122 A 1 ATOM 967 O O . ASP A 1 122 ? -3.768 -8.611 -27.000 1.00 95.82 122 A 1 ATOM 968 C CB . ASP A 1 122 ? -4.808 -9.461 -29.817 1.00 96.16 122 A 1 ATOM 969 C CG . ASP A 1 122 ? -4.537 -10.490 -30.914 1.00 90.18 122 A 1 ATOM 970 O OD1 . ASP A 1 122 ? -4.220 -11.649 -30.564 1.00 82.64 122 A 1 ATOM 971 O OD2 . ASP A 1 122 ? -4.549 -10.053 -32.085 1.00 82.30 122 A 1 ATOM 972 N N . ASP A 1 123 ? -6.002 -8.385 -26.913 1.00 96.86 123 A 1 ATOM 973 C CA . ASP A 1 123 ? -5.986 -7.312 -25.922 1.00 97.03 123 A 1 ATOM 974 C C . ASP A 1 123 ? -5.975 -7.819 -24.483 1.00 97.35 123 A 1 ATOM 975 O O . ASP A 1 123 ? -5.573 -7.072 -23.584 1.00 96.48 123 A 1 ATOM 976 C CB . ASP A 1 123 ? -7.178 -6.387 -26.124 1.00 96.48 123 A 1 ATOM 977 C CG . ASP A 1 123 ? -7.069 -5.509 -27.360 1.00 95.90 123 A 1 ATOM 978 O OD1 . ASP A 1 123 ? -5.947 -5.146 -27.803 1.00 91.77 123 A 1 ATOM 979 O OD2 . ASP A 1 123 ? -8.136 -5.042 -27.798 1.00 91.68 123 A 1 ATOM 980 N N . VAL A 1 124 ? -6.364 -9.067 -24.267 1.00 97.50 124 A 1 ATOM 981 C CA . VAL A 1 124 ? -6.390 -9.709 -22.945 1.00 97.64 124 A 1 ATOM 982 C C . VAL A 1 124 ? -5.181 -10.609 -22.682 1.00 97.79 124 A 1 ATOM 983 O O . VAL A 1 124 ? -5.101 -11.255 -21.639 1.00 96.62 124 A 1 ATOM 984 C CB . VAL A 1 124 ? -7.733 -10.416 -22.679 1.00 96.75 124 A 1 ATOM 985 C CG1 . VAL A 1 124 ? -8.867 -9.384 -22.619 1.00 92.08 124 A 1 ATOM 986 C CG2 . VAL A 1 124 ? -8.072 -11.468 -23.736 1.00 90.53 124 A 1 ATOM 987 N N . VAL A 1 125 ? -4.186 -10.582 -23.573 1.00 97.62 125 A 1 ATOM 988 C CA . VAL A 1 125 ? -2.891 -11.226 -23.336 1.00 97.47 125 A 1 ATOM 989 C C . VAL A 1 125 ? -2.153 -10.492 -22.218 1.00 97.40 125 A 1 ATOM 990 O O . VAL A 1 125 ? -1.670 -9.362 -22.378 1.00 96.45 125 A 1 ATOM 991 C CB . VAL A 1 125 ? -2.037 -11.297 -24.615 1.00 97.01 125 A 1 ATOM 992 C CG1 . VAL A 1 125 ? -0.702 -12.006 -24.341 1.00 94.67 125 A 1 ATOM 993 C CG2 . VAL A 1 125 ? -2.754 -12.080 -25.721 1.00 94.39 125 A 1 ATOM 994 N N . TRP A 1 126 ? -2.052 -11.149 -21.059 1.00 97.16 126 A 1 ATOM 995 C CA . TRP A 1 126 ? -1.388 -10.607 -19.878 1.00 97.03 126 A 1 ATOM 996 C C . TRP A 1 126 ? 0.135 -10.676 -19.997 1.00 97.41 126 A 1 ATOM 997 O O . TRP A 1 126 ? 0.714 -11.689 -20.371 1.00 96.35 126 A 1 ATOM 998 C CB . TRP A 1 126 ? -1.885 -11.320 -18.615 1.00 96.05 126 A 1 ATOM 999 C CG . TRP A 1 126 ? -3.313 -11.009 -18.287 1.00 95.94 126 A 1 ATOM 1000 C CD1 . TRP A 1 126 ? -4.389 -11.690 -18.736 1.00 94.13 126 A 1 ATOM 1001 C CD2 . TRP A 1 126 ? -3.842 -9.884 -17.522 1.00 95.32 126 A 1 ATOM 1002 N NE1 . TRP A 1 126 ? -5.543 -11.062 -18.313 1.00 93.98 126 A 1 ATOM 1003 C CE2 . TRP A 1 126 ? -5.265 -9.937 -17.566 1.00 94.73 126 A 1 ATOM 1004 C CE3 . TRP A 1 126 ? -3.259 -8.809 -16.816 1.00 94.54 126 A 1 ATOM 1005 C CZ2 . TRP A 1 126 ? -6.071 -8.971 -16.954 1.00 93.60 126 A 1 ATOM 1006 C CZ3 . TRP A 1 126 ? -4.062 -7.839 -16.188 1.00 93.18 126 A 1 ATOM 1007 C CH2 . TRP A 1 126 ? -5.464 -7.911 -16.262 1.00 92.59 126 A 1 ATOM 1008 N N . ARG A 1 127 ? 0.780 -9.576 -19.625 1.00 96.66 127 A 1 ATOM 1009 C CA . ARG A 1 127 ? 2.239 -9.422 -19.590 1.00 96.18 127 A 1 ATOM 1010 C C . ARG A 1 127 ? 2.656 -8.884 -18.231 1.00 95.99 127 A 1 ATOM 1011 O O . ARG A 1 127 ? 1.905 -8.151 -17.591 1.00 94.36 127 A 1 ATOM 1012 C CB . ARG A 1 127 ? 2.696 -8.487 -20.721 1.00 95.49 127 A 1 ATOM 1013 C CG . ARG A 1 127 ? 2.317 -9.014 -22.117 1.00 92.00 127 A 1 ATOM 1014 C CD . ARG A 1 127 ? 2.762 -8.026 -23.204 1.00 90.47 127 A 1 ATOM 1015 N NE . ARG A 1 127 ? 2.331 -8.487 -24.543 1.00 81.76 127 A 1 ATOM 1016 C CZ . ARG A 1 127 ? 3.094 -8.856 -25.557 1.00 74.29 127 A 1 ATOM 1017 N NH1 . ARG A 1 127 ? 4.394 -8.850 -25.491 1.00 68.39 127 A 1 ATOM 1018 N NH2 . ARG A 1 127 ? 2.551 -9.250 -26.674 1.00 65.47 127 A 1 ATOM 1019 N N . THR A 1 128 ? 3.866 -9.200 -17.816 1.00 94.89 128 A 1 ATOM 1020 C CA . THR A 1 128 ? 4.423 -8.717 -16.547 1.00 94.00 128 A 1 ATOM 1021 C C . THR A 1 128 ? 5.552 -7.731 -16.825 1.00 94.53 128 A 1 ATOM 1022 O O . THR A 1 128 ? 6.441 -8.003 -17.632 1.00 92.40 128 A 1 ATOM 1023 C CB . THR A 1 128 ? 4.882 -9.888 -15.668 1.00 91.03 128 A 1 ATOM 1024 O OG1 . THR A 1 128 ? 3.824 -10.811 -15.534 1.00 85.02 128 A 1 ATOM 1025 C CG2 . THR A 1 128 ? 5.244 -9.447 -14.253 1.00 83.13 128 A 1 ATOM 1026 N N . LYS A 1 129 ? 5.510 -6.564 -16.180 1.00 93.04 129 A 1 ATOM 1027 C CA . LYS A 1 129 ? 6.601 -5.578 -16.209 1.00 91.88 129 A 1 ATOM 1028 C C . LYS A 1 129 ? 7.751 -6.030 -15.304 1.00 91.75 129 A 1 ATOM 1029 O O . LYS A 1 129 ? 7.558 -6.850 -14.412 1.00 88.27 129 A 1 ATOM 1030 C CB . LYS A 1 129 ? 6.082 -4.194 -15.787 1.00 90.53 129 A 1 ATOM 1031 C CG . LYS A 1 129 ? 5.043 -3.642 -16.770 1.00 87.60 129 A 1 ATOM 1032 C CD . LYS A 1 129 ? 4.599 -2.237 -16.352 1.00 83.97 129 A 1 ATOM 1033 C CE . LYS A 1 129 ? 3.549 -1.740 -17.349 1.00 79.47 129 A 1 ATOM 1034 N NZ . LYS A 1 129 ? 3.086 -0.370 -17.026 1.00 71.39 129 A 1 ATOM 1035 N N . SER A 1 130 ? 8.921 -5.413 -15.463 1.00 90.02 130 A 1 ATOM 1036 C CA . SER A 1 130 ? 10.101 -5.670 -14.618 1.00 87.61 130 A 1 ATOM 1037 C C . SER A 1 130 ? 9.852 -5.469 -13.116 1.00 84.30 130 A 1 ATOM 1038 O O . SER A 1 130 ? 10.468 -6.131 -12.293 1.00 80.40 130 A 1 ATOM 1039 C CB . SER A 1 130 ? 11.245 -4.758 -15.059 1.00 89.27 130 A 1 ATOM 1040 O OG . SER A 1 130 ? 10.821 -3.406 -15.073 1.00 84.23 130 A 1 ATOM 1041 N N . ASN A 1 131 ? 8.905 -4.604 -12.761 1.00 88.93 131 A 1 ATOM 1042 C CA . ASN A 1 131 ? 8.490 -4.370 -11.374 1.00 84.82 131 A 1 ATOM 1043 C C . ASN A 1 131 ? 7.414 -5.352 -10.859 1.00 82.84 131 A 1 ATOM 1044 O O . ASN A 1 131 ? 6.806 -5.098 -9.821 1.00 78.96 131 A 1 ATOM 1045 C CB . ASN A 1 131 ? 8.068 -2.897 -11.230 1.00 84.31 131 A 1 ATOM 1046 C CG . ASN A 1 131 ? 6.790 -2.549 -11.977 1.00 82.41 131 A 1 ATOM 1047 O OD1 . ASN A 1 131 ? 6.172 -3.340 -12.670 1.00 78.76 131 A 1 ATOM 1048 N ND2 . ASN A 1 131 ? 6.353 -1.315 -11.876 1.00 77.78 131 A 1 ATOM 1049 N N . GLY A 1 132 ? 7.116 -6.409 -11.600 1.00 86.94 132 A 1 ATOM 1050 C CA . GLY A 1 132 ? 6.129 -7.427 -11.230 1.00 83.96 132 A 1 ATOM 1051 C C . GLY A 1 132 ? 4.663 -7.039 -11.453 1.00 85.22 132 A 1 ATOM 1052 O O . GLY A 1 132 ? 3.763 -7.818 -11.134 1.00 82.69 132 A 1 ATOM 1053 N N . VAL A 1 133 ? 4.385 -5.847 -12.006 1.00 87.59 133 A 1 ATOM 1054 C CA . VAL A 1 133 ? 3.014 -5.413 -12.306 1.00 88.81 133 A 1 ATOM 1055 C C . VAL A 1 133 ? 2.537 -6.068 -13.599 1.00 91.19 133 A 1 ATOM 1056 O O . VAL A 1 133 ? 3.121 -5.868 -14.665 1.00 90.65 133 A 1 ATOM 1057 C CB . VAL A 1 133 ? 2.895 -3.881 -12.380 1.00 86.65 133 A 1 ATOM 1058 C CG1 . VAL A 1 133 ? 1.473 -3.421 -12.735 1.00 81.77 133 A 1 ATOM 1059 C CG2 . VAL A 1 133 ? 3.250 -3.244 -11.030 1.00 82.63 133 A 1 ATOM 1060 N N . GLU A 1 134 ? 1.436 -6.802 -13.500 1.00 90.84 134 A 1 ATOM 1061 C CA . GLU A 1 134 ? 0.756 -7.345 -14.673 1.00 91.26 134 A 1 ATOM 1062 C C . GLU A 1 134 ? -0.033 -6.272 -15.418 1.00 92.89 134 A 1 ATOM 1063 O O . GLU A 1 134 ? -0.582 -5.345 -14.823 1.00 91.91 134 A 1 ATOM 1064 C CB . GLU A 1 134 ? -0.174 -8.487 -14.276 1.00 88.32 134 A 1 ATOM 1065 C CG . GLU A 1 134 ? 0.597 -9.756 -13.896 1.00 80.40 134 A 1 ATOM 1066 C CD . GLU A 1 134 ? -0.343 -10.855 -13.402 1.00 79.77 134 A 1 ATOM 1067 O OE1 . GLU A 1 134 ? 0.158 -11.935 -13.025 1.00 71.09 134 A 1 ATOM 1068 O OE2 . GLU A 1 134 ? -1.552 -10.592 -13.187 1.00 71.93 134 A 1 ATOM 1069 N N . TRP A 1 135 ? -0.114 -6.415 -16.739 1.00 94.99 135 A 1 ATOM 1070 C CA . TRP A 1 135 ? -0.903 -5.556 -17.613 1.00 95.84 135 A 1 ATOM 1071 C C . TRP A 1 135 ? -1.294 -6.303 -18.892 1.00 96.42 135 A 1 ATOM 1072 O O . TRP A 1 135 ? -0.640 -7.260 -19.293 1.00 96.01 135 A 1 ATOM 1073 C CB . TRP A 1 135 ? -0.099 -4.291 -17.938 1.00 95.26 135 A 1 ATOM 1074 C CG . TRP A 1 135 ? 1.103 -4.498 -18.811 1.00 94.72 135 A 1 ATOM 1075 C CD1 . TRP A 1 135 ? 2.298 -4.977 -18.410 1.00 93.11 135 A 1 ATOM 1076 C CD2 . TRP A 1 135 ? 1.224 -4.292 -20.257 1.00 94.40 135 A 1 ATOM 1077 N NE1 . TRP A 1 135 ? 3.148 -5.088 -19.495 1.00 91.96 135 A 1 ATOM 1078 C CE2 . TRP A 1 135 ? 2.533 -4.681 -20.658 1.00 93.50 135 A 1 ATOM 1079 C CE3 . TRP A 1 135 ? 0.347 -3.827 -21.259 1.00 92.17 135 A 1 ATOM 1080 C CZ2 . TRP A 1 135 ? 2.957 -4.618 -21.999 1.00 91.21 135 A 1 ATOM 1081 C CZ3 . TRP A 1 135 ? 0.759 -3.755 -22.601 1.00 90.74 135 A 1 ATOM 1082 C CH2 . TRP A 1 135 ? 2.059 -4.151 -22.971 1.00 89.50 135 A 1 ATOM 1083 N N . CYS A 1 136 ? -2.342 -5.838 -19.547 1.00 95.77 136 A 1 ATOM 1084 C CA . CYS A 1 136 ? -2.698 -6.222 -20.911 1.00 96.31 136 A 1 ATOM 1085 C C . CYS A 1 136 ? -3.132 -4.966 -21.682 1.00 96.78 136 A 1 ATOM 1086 O O . CYS A 1 136 ? -3.276 -3.885 -21.091 1.00 96.26 136 A 1 ATOM 1087 C CB . CYS A 1 136 ? -3.772 -7.324 -20.874 1.00 95.76 136 A 1 ATOM 1088 S SG . CYS A 1 136 ? -5.301 -6.722 -20.118 1.00 95.25 136 A 1 ATOM 1089 N N . ARG A 1 137 ? -3.316 -5.064 -23.002 1.00 97.18 137 A 1 ATOM 1090 C CA . ARG A 1 137 ? -3.738 -3.915 -23.824 1.00 97.10 137 A 1 ATOM 1091 C C . ARG A 1 137 ? -5.078 -3.355 -23.349 1.00 97.01 137 A 1 ATOM 1092 O O . ARG A 1 137 ? -5.174 -2.143 -23.166 1.00 96.29 137 A 1 ATOM 1093 C CB . ARG A 1 137 ? -3.803 -4.306 -25.305 1.00 96.66 137 A 1 ATOM 1094 C CG . ARG A 1 137 ? -2.426 -4.551 -25.936 1.00 93.57 137 A 1 ATOM 1095 C CD . ARG A 1 137 ? -2.626 -5.010 -27.382 1.00 91.58 137 A 1 ATOM 1096 N NE . ARG A 1 137 ? -1.362 -5.226 -28.107 1.00 82.87 137 A 1 ATOM 1097 C CZ . ARG A 1 137 ? -1.266 -5.817 -29.287 1.00 77.79 137 A 1 ATOM 1098 N NH1 . ARG A 1 137 ? -2.311 -6.298 -29.912 1.00 72.52 137 A 1 ATOM 1099 N NH2 . ARG A 1 137 ? -0.111 -5.943 -29.880 1.00 69.11 137 A 1 ATOM 1100 N N . ALA A 1 138 ? -6.049 -4.213 -23.029 1.00 97.05 138 A 1 ATOM 1101 C CA . ALA A 1 138 ? -7.352 -3.801 -22.507 1.00 97.01 138 A 1 ATOM 1102 C C . ALA A 1 138 ? -7.229 -3.020 -21.189 1.00 96.92 138 A 1 ATOM 1103 O O . ALA A 1 138 ? -7.694 -1.887 -21.088 1.00 96.55 138 A 1 ATOM 1104 C CB . ALA A 1 138 ? -8.246 -5.034 -22.349 1.00 97.05 138 A 1 ATOM 1105 N N . SER A 1 139 ? -6.525 -3.558 -20.196 1.00 96.99 139 A 1 ATOM 1106 C CA . SER A 1 139 ? -6.349 -2.858 -18.917 1.00 96.13 139 A 1 ATOM 1107 C C . SER A 1 139 ? -5.636 -1.512 -19.073 1.00 96.23 139 A 1 ATOM 1108 O O . SER A 1 139 ? -6.009 -0.529 -18.440 1.00 95.56 139 A 1 ATOM 1109 C CB . SER A 1 139 ? -5.602 -3.735 -17.908 1.00 94.79 139 A 1 ATOM 1110 O OG . SER A 1 139 ? -4.248 -3.936 -18.270 1.00 89.67 139 A 1 ATOM 1111 N N . SER A 1 140 ? -4.620 -1.452 -19.935 1.00 96.00 140 A 1 ATOM 1112 C CA . SER A 1 140 ? -3.864 -0.227 -20.193 1.00 95.52 140 A 1 ATOM 1113 C C . SER A 1 140 ? -4.688 0.797 -20.969 1.00 95.84 140 A 1 ATOM 1114 O O . SER A 1 140 ? -4.709 1.963 -20.587 1.00 95.02 140 A 1 ATOM 1115 C CB . SER A 1 140 ? -2.573 -0.542 -20.949 1.00 94.49 140 A 1 ATOM 1116 O OG . SER A 1 140 ? -1.749 -1.389 -20.172 1.00 82.37 140 A 1 ATOM 1117 N N . GLY A 1 141 ? -5.387 0.370 -22.017 1.00 95.55 141 A 1 ATOM 1118 C CA . GLY A 1 141 ? -6.242 1.222 -22.841 1.00 95.01 141 A 1 ATOM 1119 C C . GLY A 1 141 ? -7.385 1.847 -22.046 1.00 95.27 141 A 1 ATOM 1120 O O . GLY A 1 141 ? -7.558 3.064 -22.070 1.00 94.65 141 A 1 ATOM 1121 N N . LEU A 1 142 ? -8.091 1.043 -21.250 1.00 95.74 142 A 1 ATOM 1122 C CA . LEU A 1 142 ? -9.142 1.537 -20.356 1.00 95.57 142 A 1 ATOM 1123 C C . LEU A 1 142 ? -8.582 2.471 -19.274 1.00 95.21 142 A 1 ATOM 1124 O O . LEU A 1 142 ? -9.169 3.514 -18.994 1.00 94.64 142 A 1 ATOM 1125 C CB . LEU A 1 142 ? -9.874 0.347 -19.724 1.00 95.97 142 A 1 ATOM 1126 C CG . LEU A 1 142 ? -10.665 -0.538 -20.708 1.00 95.45 142 A 1 ATOM 1127 C CD1 . LEU A 1 142 ? -11.284 -1.702 -19.939 1.00 92.64 142 A 1 ATOM 1128 C CD2 . LEU A 1 142 ? -11.778 0.227 -21.419 1.00 93.08 142 A 1 ATOM 1129 N N . ALA A 1 143 ? -7.410 2.169 -18.711 1.00 95.61 143 A 1 ATOM 1130 C CA . ALA A 1 143 ? -6.774 3.052 -17.730 1.00 94.56 143 A 1 ATOM 1131 C C . ALA A 1 143 ? -6.391 4.425 -18.315 1.00 94.48 143 A 1 ATOM 1132 O O . ALA A 1 143 ? -6.391 5.424 -17.591 1.00 93.23 143 A 1 ATOM 1133 C CB . ALA A 1 143 ? -5.550 2.342 -17.144 1.00 93.68 143 A 1 ATOM 1134 N N . LEU A 1 144 ? -6.080 4.510 -19.616 1.00 94.31 144 A 1 ATOM 1135 C CA . LEU A 1 144 ? -5.790 5.786 -20.282 1.00 93.73 144 A 1 ATOM 1136 C C . LEU A 1 144 ? -7.004 6.723 -20.298 1.00 93.51 144 A 1 ATOM 1137 O O . LEU A 1 144 ? -6.806 7.934 -20.196 1.00 91.97 144 A 1 ATOM 1138 C CB . LEU A 1 144 ? -5.285 5.563 -21.721 1.00 93.22 144 A 1 ATOM 1139 C CG . LEU A 1 144 ? -3.890 4.930 -21.846 1.00 88.60 144 A 1 ATOM 1140 C CD1 . LEU A 1 144 ? -3.578 4.630 -23.314 1.00 81.85 144 A 1 ATOM 1141 C CD2 . LEU A 1 144 ? -2.785 5.835 -21.322 1.00 82.01 144 A 1 ATOM 1142 N N . LEU A 1 145 ? -8.226 6.185 -20.350 1.00 93.25 145 A 1 ATOM 1143 C CA . LEU A 1 145 ? -9.466 6.975 -20.323 1.00 92.26 145 A 1 ATOM 1144 C C . LEU A 1 145 ? -9.614 7.797 -19.033 1.00 91.32 145 A 1 ATOM 1145 O O . LEU A 1 145 ? -10.238 8.851 -19.040 1.00 88.43 145 A 1 ATOM 1146 C CB . LEU A 1 145 ? -10.682 6.042 -20.481 1.00 93.00 145 A 1 ATOM 1147 C CG . LEU A 1 145 ? -10.708 5.174 -21.750 1.00 92.84 145 A 1 ATOM 1148 C CD1 . LEU A 1 145 ? -11.931 4.259 -21.723 1.00 88.99 145 A 1 ATOM 1149 C CD2 . LEU A 1 145 ? -10.769 6.021 -23.017 1.00 89.66 145 A 1 ATOM 1150 N N . ALA A 1 146 ? -9.001 7.343 -17.940 1.00 92.21 146 A 1 ATOM 1151 C CA . ALA A 1 146 ? -9.035 8.011 -16.641 1.00 89.41 146 A 1 ATOM 1152 C C . ALA A 1 146 ? -7.889 9.018 -16.422 1.00 88.03 146 A 1 ATOM 1153 O O . ALA A 1 146 ? -7.696 9.516 -15.311 1.00 84.52 146 A 1 ATOM 1154 C CB . ALA A 1 146 ? -9.061 6.930 -15.565 1.00 88.98 146 A 1 ATOM 1155 N N . LYS A 1 147 ? -7.076 9.308 -17.442 1.00 89.33 147 A 1 ATOM 1156 C CA . LYS A 1 147 ? -6.009 10.311 -17.318 1.00 85.23 147 A 1 ATOM 1157 C C . LYS A 1 147 ? -6.600 11.699 -17.092 1.00 83.69 147 A 1 ATOM 1158 O O . LYS A 1 147 ? -7.505 12.130 -17.791 1.00 79.77 147 A 1 ATOM 1159 C CB . LYS A 1 147 ? -5.092 10.317 -18.549 1.00 83.02 147 A 1 ATOM 1160 C CG . LYS A 1 147 ? -4.049 9.196 -18.502 1.00 76.80 147 A 1 ATOM 1161 C CD . LYS A 1 147 ? -3.080 9.342 -19.682 1.00 74.25 147 A 1 ATOM 1162 C CE . LYS A 1 147 ? -1.910 8.371 -19.552 1.00 67.97 147 A 1 ATOM 1163 N NZ . LYS A 1 147 ? -0.958 8.522 -20.683 1.00 59.25 147 A 1 ATOM 1164 N N . ARG A 1 148 ? -5.992 12.450 -16.176 1.00 81.20 148 A 1 ATOM 1165 C CA . ARG A 1 148 ? -6.405 13.836 -15.896 1.00 78.18 148 A 1 ATOM 1166 C C . ARG A 1 148 ? -6.113 14.814 -17.047 1.00 78.42 148 A 1 ATOM 1167 O O . ARG A 1 148 ? -6.786 15.831 -17.171 1.00 75.68 148 A 1 ATOM 1168 C CB . ARG A 1 148 ? -5.743 14.285 -14.580 1.00 76.15 148 A 1 ATOM 1169 C CG . ARG A 1 148 ? -6.255 15.649 -14.089 1.00 68.11 148 A 1 ATOM 1170 C CD . ARG A 1 148 ? -5.652 16.005 -12.729 1.00 64.90 148 A 1 ATOM 1171 N NE . ARG A 1 148 ? -6.076 17.351 -12.290 1.00 58.99 148 A 1 ATOM 1172 C CZ . ARG A 1 148 ? -5.740 17.960 -11.161 1.00 51.16 148 A 1 ATOM 1173 N NH1 . ARG A 1 148 ? -4.965 17.403 -10.278 1.00 47.37 148 A 1 ATOM 1174 N NH2 . ARG A 1 148 ? -6.185 19.156 -10.898 1.00 44.87 148 A 1 ATOM 1175 N N . LYS A 1 149 ? -5.087 14.556 -17.851 1.00 78.80 149 A 1 ATOM 1176 C CA . LYS A 1 149 ? -4.681 15.383 -18.997 1.00 78.67 149 A 1 ATOM 1177 C C . LYS A 1 149 ? -4.505 14.496 -20.224 1.00 77.05 149 A 1 ATOM 1178 O O . LYS A 1 149 ? -3.925 13.419 -20.101 1.00 72.82 149 A 1 ATOM 1179 C CB . LYS A 1 149 ? -3.380 16.158 -18.702 1.00 78.06 149 A 1 ATOM 1180 C CG . LYS A 1 149 ? -3.508 17.220 -17.597 1.00 73.80 149 A 1 ATOM 1181 C CD . LYS A 1 149 ? -2.219 18.058 -17.483 1.00 71.23 149 A 1 ATOM 1182 C CE . LYS A 1 149 ? -2.348 19.145 -16.408 1.00 66.04 149 A 1 ATOM 1183 N NZ . LYS A 1 149 ? -1.157 20.045 -16.365 1.00 55.52 149 A 1 ATOM 1184 N N . LYS A 1 150 ? -4.948 14.983 -21.384 1.00 77.12 150 A 1 ATOM 1185 C CA . LYS A 1 150 ? -4.847 14.282 -22.677 1.00 78.99 150 A 1 ATOM 1186 C C . LYS A 1 150 ? -5.407 12.846 -22.625 1.00 79.73 150 A 1 ATOM 1187 O O . LYS A 1 150 ? -4.799 11.918 -23.156 1.00 74.53 150 A 1 ATOM 1188 C CB . LYS A 1 150 ? -3.400 14.331 -23.220 1.00 78.14 150 A 1 ATOM 1189 C CG . LYS A 1 150 ? -2.814 15.745 -23.388 1.00 73.79 150 A 1 ATOM 1190 C CD . LYS A 1 150 ? -1.415 15.680 -24.028 1.00 70.63 150 A 1 ATOM 1191 C CE . LYS A 1 150 ? -0.840 17.086 -24.262 1.00 65.42 150 A 1 ATOM 1192 N NZ . LYS A 1 150 ? 0.450 17.055 -25.002 1.00 55.53 150 A 1 ATOM 1193 N N . ALA A 1 151 ? -6.531 12.655 -21.929 1.00 81.57 151 A 1 ATOM 1194 C CA . ALA A 1 151 ? -7.251 11.388 -21.954 1.00 80.44 151 A 1 ATOM 1195 C C . ALA A 1 151 ? -7.908 11.204 -23.330 1.00 82.33 151 A 1 ATOM 1196 O O . ALA A 1 151 ? -8.522 12.153 -23.825 1.00 79.13 151 A 1 ATOM 1197 C CB . ALA A 1 151 ? -8.299 11.362 -20.838 1.00 77.49 151 A 1 ATOM 1198 N N . PRO A 1 152 ? -7.798 10.026 -23.957 1.00 84.15 152 A 1 ATOM 1199 C CA . PRO A 1 152 ? -8.573 9.741 -25.152 1.00 84.30 152 A 1 ATOM 1200 C C . PRO A 1 152 ? -10.066 9.681 -24.798 1.00 86.23 152 A 1 ATOM 1201 O O . PRO A 1 152 ? -10.431 9.247 -23.709 1.00 84.48 152 A 1 ATOM 1202 C CB . PRO A 1 152 ? -8.028 8.412 -25.680 1.00 83.02 152 A 1 ATOM 1203 C CG . PRO A 1 152 ? -7.526 7.710 -24.420 1.00 81.24 152 A 1 ATOM 1204 C CD . PRO A 1 152 ? -7.048 8.855 -23.532 1.00 85.24 152 A 1 ATOM 1205 N N . LEU A 1 153 ? -10.930 10.092 -25.737 1.00 85.10 153 A 1 ATOM 1206 C CA . LEU A 1 153 ? -12.389 10.042 -25.543 1.00 86.54 153 A 1 ATOM 1207 C C . LEU A 1 153 ? -12.929 8.604 -25.490 1.00 88.21 153 A 1 ATOM 1208 O O . LEU A 1 153 ? -13.930 8.334 -24.833 1.00 85.43 153 A 1 ATOM 1209 C CB . LEU A 1 153 ? -13.079 10.816 -26.682 1.00 83.89 153 A 1 ATOM 1210 C CG . LEU A 1 153 ? -12.812 12.332 -26.694 1.00 76.18 153 A 1 ATOM 1211 C CD1 . LEU A 1 153 ? -13.442 12.946 -27.944 1.00 70.93 153 A 1 ATOM 1212 C CD2 . LEU A 1 153 ? -13.400 13.026 -25.462 1.00 70.45 153 A 1 ATOM 1213 N N . SER A 1 154 ? -12.260 7.695 -26.186 1.00 92.66 154 A 1 ATOM 1214 C CA . SER A 1 154 ? -12.602 6.278 -26.205 1.00 93.39 154 A 1 ATOM 1215 C C . SER A 1 154 ? -11.375 5.413 -26.468 1.00 93.43 154 A 1 ATOM 1216 O O . SER A 1 154 ? -10.380 5.866 -27.034 1.00 90.92 154 A 1 ATOM 1217 C CB . SER A 1 154 ? -13.703 6.000 -27.239 1.00 91.68 154 A 1 ATOM 1218 O OG . SER A 1 154 ? -13.251 6.261 -28.558 1.00 85.12 154 A 1 ATOM 1219 N N . TRP A 1 155 ? -11.472 4.145 -26.074 1.00 94.37 155 A 1 ATOM 1220 C CA . TRP A 1 155 ? -10.523 3.101 -26.436 1.00 94.74 155 A 1 ATOM 1221 C C . TRP A 1 155 ? -11.300 1.924 -27.033 1.00 95.27 155 A 1 ATOM 1222 O O . TRP A 1 155 ? -12.098 1.315 -26.334 1.00 94.54 155 A 1 ATOM 1223 C CB . TRP A 1 155 ? -9.706 2.687 -25.209 1.00 94.77 155 A 1 ATOM 1224 C CG . TRP A 1 155 ? -8.755 1.563 -25.479 1.00 94.92 155 A 1 ATOM 1225 C CD1 . TRP A 1 155 ? -7.535 1.676 -26.057 1.00 92.75 155 A 1 ATOM 1226 C CD2 . TRP A 1 155 ? -8.962 0.135 -25.266 1.00 94.79 155 A 1 ATOM 1227 N NE1 . TRP A 1 155 ? -6.974 0.425 -26.221 1.00 93.01 155 A 1 ATOM 1228 C CE2 . TRP A 1 155 ? -7.816 -0.566 -25.763 1.00 94.48 155 A 1 ATOM 1229 C CE3 . TRP A 1 155 ? -10.005 -0.646 -24.726 1.00 94.16 155 A 1 ATOM 1230 C CZ2 . TRP A 1 155 ? -7.722 -1.966 -25.741 1.00 93.81 155 A 1 ATOM 1231 C CZ3 . TRP A 1 155 ? -9.919 -2.053 -24.691 1.00 92.61 155 A 1 ATOM 1232 C CH2 . TRP A 1 155 ? -8.786 -2.712 -25.203 1.00 92.29 155 A 1 ATOM 1233 N N . LYS A 1 156 ? -11.121 1.648 -28.317 1.00 94.46 156 A 1 ATOM 1234 C CA . LYS A 1 156 ? -11.870 0.612 -29.062 1.00 94.87 156 A 1 ATOM 1235 C C . LYS A 1 156 ? -13.396 0.659 -28.802 1.00 95.46 156 A 1 ATOM 1236 O O . LYS A 1 156 ? -14.027 -0.351 -28.537 1.00 93.51 156 A 1 ATOM 1237 C CB . LYS A 1 156 ? -11.266 -0.782 -28.801 1.00 94.61 156 A 1 ATOM 1238 C CG . LYS A 1 156 ? -9.836 -0.967 -29.338 1.00 94.15 156 A 1 ATOM 1239 C CD . LYS A 1 156 ? -9.471 -2.462 -29.265 1.00 91.39 156 A 1 ATOM 1240 C CE . LYS A 1 156 ? -8.215 -2.828 -30.052 1.00 88.94 156 A 1 ATOM 1241 N NZ . LYS A 1 156 ? -8.172 -4.294 -30.316 1.00 81.72 156 A 1 ATOM 1242 N N . GLY A 1 157 ? -13.977 1.853 -28.815 1.00 95.42 157 A 1 ATOM 1243 C CA . GLY A 1 157 ? -15.407 2.073 -28.542 1.00 95.49 157 A 1 ATOM 1244 C C . GLY A 1 157 ? -15.787 2.156 -27.059 1.00 96.02 157 A 1 ATOM 1245 O O . GLY A 1 157 ? -16.841 2.708 -26.741 1.00 94.45 157 A 1 ATOM 1246 N N . TRP A 1 158 ? -14.945 1.723 -26.137 1.00 95.60 158 A 1 ATOM 1247 C CA . TRP A 1 158 ? -15.157 1.886 -24.696 1.00 95.67 158 A 1 ATOM 1248 C C . TRP A 1 158 ? -15.003 3.346 -24.275 1.00 95.92 158 A 1 ATOM 1249 O O . TRP A 1 158 ? -14.040 4.009 -24.653 1.00 94.94 158 A 1 ATOM 1250 C CB . TRP A 1 158 ? -14.184 1.012 -23.907 1.00 95.75 158 A 1 ATOM 1251 C CG . TRP A 1 158 ? -14.455 -0.455 -23.995 1.00 96.21 158 A 1 ATOM 1252 C CD1 . TRP A 1 158 ? -14.007 -1.297 -24.957 1.00 94.71 158 A 1 ATOM 1253 C CD2 . TRP A 1 158 ? -15.255 -1.267 -23.090 1.00 96.16 158 A 1 ATOM 1254 N NE1 . TRP A 1 158 ? -14.481 -2.572 -24.715 1.00 95.02 158 A 1 ATOM 1255 C CE2 . TRP A 1 158 ? -15.255 -2.611 -23.571 1.00 95.92 158 A 1 ATOM 1256 C CE3 . TRP A 1 158 ? -15.985 -1.001 -21.910 1.00 96.10 158 A 1 ATOM 1257 C CZ2 . TRP A 1 158 ? -15.948 -3.636 -22.918 1.00 95.97 158 A 1 ATOM 1258 C CZ3 . TRP A 1 158 ? -16.678 -2.027 -21.244 1.00 95.36 158 A 1 ATOM 1259 C CH2 . TRP A 1 158 ? -16.665 -3.343 -21.745 1.00 95.13 158 A 1 ATOM 1260 N N . ARG A 1 159 ? -15.915 3.843 -23.446 1.00 94.86 159 A 1 ATOM 1261 C CA . ARG A 1 159 ? -15.911 5.215 -22.919 1.00 94.74 159 A 1 ATOM 1262 C C . ARG A 1 159 ? -16.019 5.205 -21.401 1.00 95.16 159 A 1 ATOM 1263 O O . ARG A 1 159 ? -16.748 4.400 -20.833 1.00 94.26 159 A 1 ATOM 1264 C CB . ARG A 1 159 ? -17.051 6.027 -23.550 1.00 94.06 159 A 1 ATOM 1265 C CG . ARG A 1 159 ? -16.907 6.142 -25.075 1.00 89.74 159 A 1 ATOM 1266 C CD . ARG A 1 159 ? -18.048 6.968 -25.670 1.00 88.08 159 A 1 ATOM 1267 N NE . ARG A 1 159 ? -17.961 7.017 -27.142 1.00 77.38 159 A 1 ATOM 1268 C CZ . ARG A 1 159 ? -18.783 7.658 -27.957 1.00 70.80 159 A 1 ATOM 1269 N NH1 . ARG A 1 159 ? -19.789 8.355 -27.516 1.00 62.82 159 A 1 ATOM 1270 N NH2 . ARG A 1 159 ? -18.600 7.605 -29.246 1.00 59.07 159 A 1 ATOM 1271 N N . LEU A 1 160 ? -15.317 6.119 -20.751 1.00 93.29 160 A 1 ATOM 1272 C CA . LEU A 1 160 ? -15.428 6.307 -19.305 1.00 93.16 160 A 1 ATOM 1273 C C . LEU A 1 160 ? -16.632 7.206 -19.001 1.00 93.28 160 A 1 ATOM 1274 O O . LEU A 1 160 ? -16.690 8.330 -19.489 1.00 92.40 160 A 1 ATOM 1275 C CB . LEU A 1 160 ? -14.109 6.899 -18.775 1.00 92.79 160 A 1 ATOM 1276 C CG . LEU A 1 160 ? -14.080 7.128 -17.254 1.00 92.26 160 A 1 ATOM 1277 C CD1 . LEU A 1 160 ? -14.155 5.820 -16.461 1.00 88.79 160 A 1 ATOM 1278 C CD2 . LEU A 1 160 ? -12.774 7.825 -16.869 1.00 89.22 160 A 1 ATOM 1279 N N . ILE A 1 161 ? -17.552 6.719 -18.173 1.00 93.93 161 A 1 ATOM 1280 C CA . ILE A 1 161 ? -18.676 7.508 -17.650 1.00 92.84 161 A 1 ATOM 1281 C C . ILE A 1 161 ? -18.270 8.150 -16.323 1.00 92.00 161 A 1 ATOM 1282 O O . ILE A 1 161 ? -18.374 9.363 -16.161 1.00 89.22 161 A 1 ATOM 1283 C CB . ILE A 1 161 ? -19.944 6.634 -17.491 1.00 93.09 161 A 1 ATOM 1284 C CG1 . ILE A 1 161 ? -20.389 6.049 -18.852 1.00 91.55 161 A 1 ATOM 1285 C CG2 . ILE A 1 161 ? -21.081 7.452 -16.847 1.00 90.43 161 A 1 ATOM 1286 C CD1 . ILE A 1 161 ? -21.553 5.052 -18.741 1.00 83.72 161 A 1 ATOM 1287 N N . SER A 1 162 ? -17.787 7.344 -15.381 1.00 91.51 162 A 1 ATOM 1288 C CA . SER A 1 162 ? -17.348 7.842 -14.080 1.00 91.16 162 A 1 ATOM 1289 C C . SER A 1 162 ? -16.238 6.984 -13.476 1.00 91.23 162 A 1 ATOM 1290 O O . SER A 1 162 ? -16.070 5.808 -13.787 1.00 90.13 162 A 1 ATOM 1291 C CB . SER A 1 162 ? -18.533 7.984 -13.114 1.00 89.69 162 A 1 ATOM 1292 O OG . SER A 1 162 ? -19.002 6.722 -12.686 1.00 86.42 162 A 1 ATOM 1293 N N . LEU A 1 163 ? -15.457 7.618 -12.610 1.00 88.59 163 A 1 ATOM 1294 C CA . LEU A 1 163 ? -14.428 6.960 -11.817 1.00 87.65 163 A 1 ATOM 1295 C C . LEU A 1 163 ? -14.445 7.551 -10.412 1.00 87.09 163 A 1 ATOM 1296 O O . LEU A 1 163 ? -14.093 8.719 -10.224 1.00 83.51 163 A 1 ATOM 1297 C CB . LEU A 1 163 ? -13.060 7.161 -12.489 1.00 86.47 163 A 1 ATOM 1298 C CG . LEU A 1 163 ? -11.898 6.551 -11.680 1.00 85.03 163 A 1 ATOM 1299 C CD1 . LEU A 1 163 ? -11.973 5.030 -11.625 1.00 78.83 163 A 1 ATOM 1300 C CD2 . LEU A 1 163 ? -10.563 6.937 -12.310 1.00 80.90 163 A 1 ATOM 1301 N N . THR A 1 164 ? -14.790 6.739 -9.430 1.00 88.99 164 A 1 ATOM 1302 C CA . THR A 1 164 ? -14.827 7.137 -8.022 1.00 87.11 164 A 1 ATOM 1303 C C . THR A 1 164 ? -13.777 6.373 -7.222 1.00 85.17 164 A 1 ATOM 1304 O O . THR A 1 164 ? -13.369 5.259 -7.551 1.00 82.74 164 A 1 ATOM 1305 C CB . THR A 1 164 ? -16.243 7.005 -7.431 1.00 84.46 164 A 1 ATOM 1306 O OG1 . THR A 1 164 ? -16.713 5.697 -7.595 1.00 75.34 164 A 1 ATOM 1307 C CG2 . THR A 1 164 ? -17.230 7.941 -8.132 1.00 72.39 164 A 1 ATOM 1308 N N . LYS A 1 165 ? -13.249 7.024 -6.199 1.00 87.75 165 A 1 ATOM 1309 C CA . LYS A 1 165 ? -12.470 6.357 -5.156 1.00 82.12 165 A 1 ATOM 1310 C C . LYS A 1 165 ? -13.400 6.185 -3.973 1.00 78.22 165 A 1 ATOM 1311 O O . LYS A 1 165 ? -13.934 7.188 -3.502 1.00 70.90 165 A 1 ATOM 1312 C CB . LYS A 1 165 ? -11.256 7.191 -4.739 1.00 77.25 165 A 1 ATOM 1313 C CG . LYS A 1 165 ? -10.143 7.205 -5.789 1.00 66.92 165 A 1 ATOM 1314 C CD . LYS A 1 165 ? -8.975 8.014 -5.226 1.00 62.77 165 A 1 ATOM 1315 C CE . LYS A 1 165 ? -7.798 8.071 -6.192 1.00 56.01 165 A 1 ATOM 1316 N NZ . LYS A 1 165 ? -6.719 8.906 -5.610 1.00 49.57 165 A 1 ATOM 1317 N N . ASP A 1 166 ? -13.546 4.959 -3.508 1.00 80.73 166 A 1 ATOM 1318 C CA . ASP A 1 166 ? -14.192 4.745 -2.223 1.00 77.04 166 A 1 ATOM 1319 C C . ASP A 1 166 ? -13.264 5.333 -1.156 1.00 74.17 166 A 1 ATOM 1320 O O . ASP A 1 166 ? -12.179 4.806 -0.904 1.00 66.11 166 A 1 ATOM 1321 C CB . ASP A 1 166 ? -14.496 3.251 -2.016 1.00 70.96 166 A 1 ATOM 1322 C CG . ASP A 1 166 ? -15.433 2.693 -3.093 1.00 63.53 166 A 1 ATOM 1323 O OD1 . ASP A 1 166 ? -16.289 3.463 -3.584 1.00 56.85 166 A 1 ATOM 1324 O OD2 . ASP A 1 166 ? -15.221 1.526 -3.483 1.00 57.55 166 A 1 ATOM 1325 N N . ASN A 1 167 ? -13.651 6.480 -0.601 1.00 66.76 167 A 1 ATOM 1326 C CA . ASN A 1 167 ? -13.022 6.987 0.611 1.00 64.32 167 A 1 ATOM 1327 C C . ASN A 1 167 ? -13.485 6.073 1.750 1.00 61.63 167 A 1 ATOM 1328 O O . ASN A 1 167 ? -14.563 6.278 2.303 1.00 57.25 167 A 1 ATOM 1329 C CB . ASN A 1 167 ? -13.415 8.458 0.854 1.00 58.83 167 A 1 ATOM 1330 C CG . ASN A 1 167 ? -12.653 9.470 0.022 1.00 52.28 167 A 1 ATOM 1331 O OD1 . ASN A 1 167 ? -11.645 9.203 -0.621 1.00 48.02 167 A 1 ATOM 1332 N ND2 . ASN A 1 167 ? -13.096 10.708 0.033 1.00 46.05 167 A 1 ATOM 1333 N N . LYS A 1 168 ? -12.702 5.025 2.013 1.00 62.71 168 A 1 ATOM 1334 C CA . LYS A 1 168 ? -12.797 4.242 3.246 1.00 59.98 168 A 1 ATOM 1335 C C . LYS A 1 168 ? -11.769 4.741 4.233 1.00 54.24 168 A 1 ATOM 1336 O O . LYS A 1 168 ? -10.635 5.019 3.790 1.00 48.10 168 A 1 ATOM 1337 C CB . LYS A 1 168 ? -12.630 2.744 2.985 1.00 55.25 168 A 1 ATOM 1338 C CG . LYS A 1 168 ? -13.920 2.125 2.452 1.00 49.99 168 A 1 ATOM 1339 C CD . LYS A 1 168 ? -13.779 0.598 2.360 1.00 47.38 168 A 1 ATOM 1340 C CE . LYS A 1 168 ? -15.102 0.007 1.890 1.00 43.81 168 A 1 ATOM 1341 N NZ . LYS A 1 168 ? -15.027 -1.466 1.734 1.00 39.24 168 A 1 ATOM 1342 O OXT . LYS A 1 168 ? -12.138 4.781 5.433 1.00 44.66 168 A 1 #