# 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_7fcj # _entry.id 7fcj # 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 LYS 2 1 n MET 3 1 n TYR 4 1 n ASP 5 1 n ALA 6 1 n TYR 7 1 n ILE 8 1 n SER 9 1 n TYR 10 1 n VAL 11 1 n ASN 12 1 n ASN 13 1 n GLU 14 1 n ASN 15 1 n ASP 16 1 n ARG 17 1 n LYS 18 1 n PHE 19 1 n VAL 20 1 n ASN 21 1 n PHE 22 1 n ILE 23 1 n LEU 24 1 n LYS 25 1 n PRO 26 1 n HIS 27 1 n LEU 28 1 n GLU 29 1 n ASN 30 1 n LYS 31 1 n TYR 32 1 n SER 33 1 n HIS 34 1 n LYS 35 1 n LEU 36 1 n LEU 37 1 n LEU 38 1 n ASN 39 1 n ASP 40 1 n THR 41 1 n ASN 42 1 n ILE 43 1 n LEU 44 1 n PRO 45 1 n GLY 46 1 n ALA 47 1 n GLU 48 1 n PRO 49 1 n SER 50 1 n ALA 51 1 n GLU 52 1 n LEU 53 1 n LEU 54 1 n MET 55 1 n ASN 56 1 n ILE 57 1 n SER 58 1 n ARG 59 1 n CYS 60 1 n GLN 61 1 n ARG 62 1 n LEU 63 1 n ILE 64 1 n VAL 65 1 n VAL 66 1 n LEU 67 1 n SER 68 1 n GLN 69 1 n SER 70 1 n TYR 71 1 n LEU 72 1 n GLU 73 1 n GLN 74 1 n GLU 75 1 n TRP 76 1 n CYS 77 1 n THR 78 1 n THR 79 1 n ASN 80 1 n PHE 81 1 n ARG 82 1 n GLN 83 1 n GLY 84 1 n LEU 85 1 n TRP 86 1 n HIS 87 1 n LEU 88 1 n ILE 89 1 n GLU 90 1 n LEU 91 1 n SER 92 1 n ARG 93 1 n LYS 94 1 n PRO 95 1 n ILE 96 1 n PHE 97 1 n ILE 98 1 n ILE 99 1 n PHE 100 1 n GLN 101 1 n SER 102 1 n GLN 103 1 n GLN 104 1 n LYS 105 1 n GLN 106 1 n ILE 107 1 n SER 108 1 n GLN 109 1 n ASP 110 1 n ILE 111 1 n SER 112 1 n GLN 113 1 n GLN 114 1 n LEU 115 1 n ARG 116 1 n GLN 117 1 n HIS 118 1 n GLN 119 1 n PRO 120 1 n SER 121 1 n ILE 122 1 n THR 123 1 n MET 124 1 n ILE 125 1 n THR 126 1 n TRP 127 1 n GLY 128 1 n ALA 129 1 n HIS 130 1 n SER 131 1 n MET 132 1 n THR 133 1 n PRO 134 1 n SER 135 1 n SER 136 1 n GLY 137 1 n PHE 138 1 n TRP 139 1 n LYS 140 1 n GLU 141 1 n LEU 142 1 n ALA 143 1 n LEU 144 1 n VAL 145 1 n MET 146 1 n PRO 147 1 n ARG 148 1 n LYS 149 1 n HIS 150 1 n HIS 151 1 n HIS 152 1 n HIS 153 1 n HIS 154 1 n HIS 155 # _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 @ 2025-09-26 03:39:09)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 89.08 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 63.42 1 1 A LYS 2 2 73.62 1 2 A MET 3 2 80.27 1 3 A TYR 4 2 94.01 1 4 A ASP 5 2 95.57 1 5 A ALA 6 2 97.14 1 6 A TYR 7 2 91.51 1 7 A ILE 8 2 97.43 1 8 A SER 9 2 98.27 1 9 A TYR 10 2 98.13 1 10 A VAL 11 2 95.89 1 11 A ASN 12 2 93.74 1 12 A ASN 13 2 93.37 1 13 A GLU 14 2 91.02 1 14 A ASN 15 2 88.08 1 15 A ASP 16 2 97.45 1 16 A ARG 17 2 87.26 1 17 A LYS 18 2 92.51 1 18 A PHE 19 2 98.12 1 19 A VAL 20 2 98.38 1 20 A ASN 21 2 94.05 1 21 A PHE 22 2 93.59 1 22 A ILE 23 2 97.27 1 23 A LEU 24 2 97.86 1 24 A LYS 25 2 93.69 1 25 A PRO 26 2 96.89 1 26 A HIS 27 2 89.81 1 27 A LEU 28 2 96.31 1 28 A GLU 29 2 95.46 1 29 A ASN 30 2 91.61 1 30 A LYS 31 2 83.83 1 31 A TYR 32 2 84.49 1 32 A SER 33 2 91.93 1 33 A HIS 34 2 93.22 1 34 A LYS 35 2 87.75 1 35 A LEU 36 2 97.09 1 36 A LEU 37 2 93.55 1 37 A LEU 38 2 95.08 1 38 A ASN 39 2 91.34 1 39 A ASP 40 2 95.75 1 40 A THR 41 2 92.35 1 41 A ASN 42 2 94.46 1 42 A ILE 43 2 95.75 1 43 A LEU 44 2 96.37 1 44 A PRO 45 2 95.15 1 45 A GLY 46 2 93.72 1 46 A ALA 47 2 93.67 1 47 A GLU 48 2 91.84 1 48 A PRO 49 2 97.07 1 49 A SER 50 2 96.82 1 50 A ALA 51 2 96.08 1 51 A GLU 52 2 85.65 1 52 A LEU 53 2 96.11 1 53 A LEU 54 2 95.10 1 54 A MET 55 2 85.38 1 55 A ASN 56 2 90.08 1 56 A ILE 57 2 88.23 1 57 A SER 58 2 90.63 1 58 A ARG 59 2 85.70 1 59 A CYS 60 2 95.36 1 60 A GLN 61 2 89.93 1 61 A ARG 62 2 92.17 1 62 A LEU 63 2 97.45 1 63 A ILE 64 2 98.27 1 64 A VAL 65 2 98.27 1 65 A VAL 66 2 98.41 1 66 A LEU 67 2 96.26 1 67 A SER 68 2 97.51 1 68 A GLN 69 2 84.41 1 69 A SER 70 2 94.99 1 70 A TYR 71 2 97.51 1 71 A LEU 72 2 95.94 1 72 A GLU 73 2 90.81 1 73 A GLN 74 2 93.76 1 74 A GLU 75 2 85.36 1 75 A TRP 76 2 95.02 1 76 A CYS 77 2 95.51 1 77 A THR 78 2 93.10 1 78 A THR 79 2 91.54 1 79 A ASN 80 2 88.05 1 80 A PHE 81 2 96.03 1 81 A ARG 82 2 81.84 1 82 A GLN 83 2 87.89 1 83 A GLY 84 2 97.38 1 84 A LEU 85 2 96.70 1 85 A TRP 86 2 77.98 1 86 A HIS 87 2 94.27 1 87 A LEU 88 2 97.31 1 88 A ILE 89 2 96.63 1 89 A GLU 90 2 85.17 1 90 A LEU 91 2 94.74 1 91 A SER 92 2 89.85 1 92 A ARG 93 2 70.89 1 93 A LYS 94 2 89.99 1 94 A PRO 95 2 97.25 1 95 A ILE 96 2 98.08 1 96 A PHE 97 2 97.25 1 97 A ILE 98 2 98.20 1 98 A ILE 99 2 91.75 1 99 A PHE 100 2 97.03 1 100 A GLN 101 2 89.13 1 101 A SER 102 2 93.89 1 102 A GLN 103 2 91.93 1 103 A GLN 104 2 81.17 1 104 A LYS 105 2 81.51 1 105 A GLN 106 2 82.34 1 106 A ILE 107 2 89.26 1 107 A SER 108 2 91.59 1 108 A GLN 109 2 83.48 1 109 A ASP 110 2 85.94 1 110 A ILE 111 2 94.25 1 111 A SER 112 2 91.51 1 112 A GLN 113 2 84.88 1 113 A GLN 114 2 89.34 1 114 A LEU 115 2 95.12 1 115 A ARG 116 2 79.01 1 116 A GLN 117 2 86.19 1 117 A HIS 118 2 89.92 1 118 A GLN 119 2 81.43 1 119 A PRO 120 2 93.28 1 120 A SER 121 2 95.55 1 121 A ILE 122 2 97.05 1 122 A THR 123 2 96.79 1 123 A MET 124 2 89.21 1 124 A ILE 125 2 96.54 1 125 A THR 126 2 95.93 1 126 A TRP 127 2 97.82 1 127 A GLY 128 2 97.00 1 128 A ALA 129 2 92.79 1 129 A HIS 130 2 85.53 1 130 A SER 131 2 97.24 1 131 A MET 132 2 88.75 1 132 A THR 133 2 92.15 1 133 A PRO 134 2 92.15 1 134 A SER 135 2 93.82 1 135 A SER 136 2 97.03 1 136 A GLY 137 2 97.23 1 137 A PHE 138 2 98.02 1 138 A TRP 139 2 97.08 1 139 A LYS 140 2 89.87 1 140 A GLU 141 2 90.63 1 141 A LEU 142 2 97.09 1 142 A ALA 143 2 95.31 1 143 A LEU 144 2 90.59 1 144 A VAL 145 2 95.16 1 145 A MET 146 2 94.47 1 146 A PRO 147 2 91.65 1 147 A ARG 148 2 65.64 1 148 A LYS 149 2 61.46 1 149 A HIS 150 2 50.51 1 150 A HIS 151 2 47.35 1 151 A HIS 152 2 44.16 1 152 A HIS 153 2 41.75 1 153 A HIS 154 2 40.78 1 154 A HIS 155 2 36.15 1 155 # _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 LYS . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n ASP . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n TYR . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ASN . 12 A 12 A 13 1 n ASN . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n ASP . 16 A 16 A 17 1 n ARG . 17 A 17 A 18 1 n LYS . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n PHE . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n PRO . 26 A 26 A 27 1 n HIS . 27 A 27 A 28 1 n LEU . 28 A 28 A 29 1 n GLU . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n LYS . 31 A 31 A 32 1 n TYR . 32 A 32 A 33 1 n SER . 33 A 33 A 34 1 n HIS . 34 A 34 A 35 1 n LYS . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n LEU . 37 A 37 A 38 1 n LEU . 38 A 38 A 39 1 n ASN . 39 A 39 A 40 1 n ASP . 40 A 40 A 41 1 n THR . 41 A 41 A 42 1 n ASN . 42 A 42 A 43 1 n ILE . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n PRO . 45 A 45 A 46 1 n GLY . 46 A 46 A 47 1 n ALA . 47 A 47 A 48 1 n GLU . 48 A 48 A 49 1 n PRO . 49 A 49 A 50 1 n SER . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n GLU . 52 A 52 A 53 1 n LEU . 53 A 53 A 54 1 n LEU . 54 A 54 A 55 1 n MET . 55 A 55 A 56 1 n ASN . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n SER . 58 A 58 A 59 1 n ARG . 59 A 59 A 60 1 n CYS . 60 A 60 A 61 1 n GLN . 61 A 61 A 62 1 n ARG . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n ILE . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n VAL . 66 A 66 A 67 1 n LEU . 67 A 67 A 68 1 n SER . 68 A 68 A 69 1 n GLN . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n TYR . 71 A 71 A 72 1 n LEU . 72 A 72 A 73 1 n GLU . 73 A 73 A 74 1 n GLN . 74 A 74 A 75 1 n GLU . 75 A 75 A 76 1 n TRP . 76 A 76 A 77 1 n CYS . 77 A 77 A 78 1 n THR . 78 A 78 A 79 1 n THR . 79 A 79 A 80 1 n ASN . 80 A 80 A 81 1 n PHE . 81 A 81 A 82 1 n ARG . 82 A 82 A 83 1 n GLN . 83 A 83 A 84 1 n GLY . 84 A 84 A 85 1 n LEU . 85 A 85 A 86 1 n TRP . 86 A 86 A 87 1 n HIS . 87 A 87 A 88 1 n LEU . 88 A 88 A 89 1 n ILE . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n LEU . 91 A 91 A 92 1 n SER . 92 A 92 A 93 1 n ARG . 93 A 93 A 94 1 n LYS . 94 A 94 A 95 1 n PRO . 95 A 95 A 96 1 n ILE . 96 A 96 A 97 1 n PHE . 97 A 97 A 98 1 n ILE . 98 A 98 A 99 1 n ILE . 99 A 99 A 100 1 n PHE . 100 A 100 A 101 1 n GLN . 101 A 101 A 102 1 n SER . 102 A 102 A 103 1 n GLN . 103 A 103 A 104 1 n GLN . 104 A 104 A 105 1 n LYS . 105 A 105 A 106 1 n GLN . 106 A 106 A 107 1 n ILE . 107 A 107 A 108 1 n SER . 108 A 108 A 109 1 n GLN . 109 A 109 A 110 1 n ASP . 110 A 110 A 111 1 n ILE . 111 A 111 A 112 1 n SER . 112 A 112 A 113 1 n GLN . 113 A 113 A 114 1 n GLN . 114 A 114 A 115 1 n LEU . 115 A 115 A 116 1 n ARG . 116 A 116 A 117 1 n GLN . 117 A 117 A 118 1 n HIS . 118 A 118 A 119 1 n GLN . 119 A 119 A 120 1 n PRO . 120 A 120 A 121 1 n SER . 121 A 121 A 122 1 n ILE . 122 A 122 A 123 1 n THR . 123 A 123 A 124 1 n MET . 124 A 124 A 125 1 n ILE . 125 A 125 A 126 1 n THR . 126 A 126 A 127 1 n TRP . 127 A 127 A 128 1 n GLY . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n HIS . 130 A 130 A 131 1 n SER . 131 A 131 A 132 1 n MET . 132 A 132 A 133 1 n THR . 133 A 133 A 134 1 n PRO . 134 A 134 A 135 1 n SER . 135 A 135 A 136 1 n SER . 136 A 136 A 137 1 n GLY . 137 A 137 A 138 1 n PHE . 138 A 138 A 139 1 n TRP . 139 A 139 A 140 1 n LYS . 140 A 140 A 141 1 n GLU . 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 VAL . 145 A 145 A 146 1 n MET . 146 A 146 A 147 1 n PRO . 147 A 147 A 148 1 n ARG . 148 A 148 A 149 1 n LYS . 149 A 149 A 150 1 n HIS . 150 A 150 A 151 1 n HIS . 151 A 151 A 152 1 n HIS . 152 A 152 A 153 1 n HIS . 153 A 153 A 154 1 n HIS . 154 A 154 A 155 1 n HIS . 155 A 155 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (e807fd846049899dfdec5ca44da98c95d67dbcda1ded4e3a9b5f8a9fca437aa0)" # _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 ? 1.098 -17.373 -14.390 1.00 64.55 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.258 -16.577 -13.965 1.00 73.04 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.841 -15.161 -13.579 1.00 77.19 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.716 -14.743 -13.844 1.00 72.87 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.289 -16.488 -15.092 1.00 65.04 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.768 -15.851 -16.370 1.00 56.67 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.041 -15.649 -17.635 1.00 52.18 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.261 -17.350 -18.158 1.00 45.83 1 A 1 ATOM 9 N N . LYS A 1 2 ? 2.749 -14.438 -12.948 1.00 75.09 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 2.476 -13.063 -12.537 1.00 80.34 2 A 1 ATOM 11 C C . LYS A 1 2 ? 2.467 -12.155 -13.772 1.00 82.88 2 A 1 ATOM 12 O O . LYS A 1 2 ? 3.408 -12.167 -14.560 1.00 80.08 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 3.543 -12.587 -11.562 1.00 74.28 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 3.657 -13.424 -10.294 1.00 72.73 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 2.391 -13.367 -9.458 1.00 70.30 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 2.562 -14.134 -8.158 1.00 66.29 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 1.342 -14.085 -7.317 1.00 60.62 2 A 1 ATOM 18 N N . MET A 1 3 ? 1.398 -11.384 -13.925 1.00 87.64 3 A 1 ATOM 19 C CA . MET A 1 3 ? 1.254 -10.485 -15.066 1.00 89.79 3 A 1 ATOM 20 C C . MET A 1 3 ? 1.508 -9.028 -14.699 1.00 91.83 3 A 1 ATOM 21 O O . MET A 1 3 ? 1.718 -8.188 -15.573 1.00 89.22 3 A 1 ATOM 22 C CB . MET A 1 3 ? -0.158 -10.621 -15.652 1.00 83.75 3 A 1 ATOM 23 C CG . MET A 1 3 ? -0.504 -12.005 -16.163 1.00 73.16 3 A 1 ATOM 24 S SD . MET A 1 3 ? 0.563 -12.527 -17.518 1.00 67.49 3 A 1 ATOM 25 C CE . MET A 1 3 ? -0.019 -11.448 -18.829 1.00 59.26 3 A 1 ATOM 26 N N . TYR A 1 4 ? 1.484 -8.737 -13.406 1.00 95.73 4 A 1 ATOM 27 C CA . TYR A 1 4 ? 1.673 -7.375 -12.924 1.00 96.28 4 A 1 ATOM 28 C C . TYR A 1 4 ? 2.652 -7.330 -11.761 1.00 96.39 4 A 1 ATOM 29 O O . TYR A 1 4 ? 2.787 -8.302 -11.016 1.00 95.51 4 A 1 ATOM 30 C CB . TYR A 1 4 ? 0.334 -6.792 -12.471 1.00 95.91 4 A 1 ATOM 31 C CG . TYR A 1 4 ? -0.732 -6.778 -13.542 1.00 95.42 4 A 1 ATOM 32 C CD1 . TYR A 1 4 ? -0.805 -5.740 -14.466 1.00 93.52 4 A 1 ATOM 33 C CD2 . TYR A 1 4 ? -1.663 -7.811 -13.632 1.00 93.31 4 A 1 ATOM 34 C CE1 . TYR A 1 4 ? -1.779 -5.729 -15.458 1.00 91.71 4 A 1 ATOM 35 C CE2 . TYR A 1 4 ? -2.639 -7.811 -14.622 1.00 91.96 4 A 1 ATOM 36 C CZ . TYR A 1 4 ? -2.692 -6.766 -15.530 1.00 92.39 4 A 1 ATOM 37 O OH . TYR A 1 4 ? -3.658 -6.760 -16.511 1.00 90.01 4 A 1 ATOM 38 N N . ASP A 1 5 ? 3.332 -6.207 -11.621 1.00 96.95 5 A 1 ATOM 39 C CA . ASP A 1 5 ? 4.282 -6.044 -10.527 1.00 96.89 5 A 1 ATOM 40 C C . ASP A 1 5 ? 3.555 -5.702 -9.231 1.00 96.92 5 A 1 ATOM 41 O O . ASP A 1 5 ? 3.988 -6.086 -8.147 1.00 96.45 5 A 1 ATOM 42 C CB . ASP A 1 5 ? 5.287 -4.941 -10.862 1.00 96.56 5 A 1 ATOM 43 C CG . ASP A 1 5 ? 6.167 -5.301 -12.042 1.00 95.55 5 A 1 ATOM 44 O OD1 . ASP A 1 5 ? 6.759 -6.399 -12.025 1.00 92.99 5 A 1 ATOM 45 O OD2 . ASP A 1 5 ? 6.264 -4.486 -12.978 1.00 92.27 5 A 1 ATOM 46 N N . ALA A 1 6 ? 2.441 -4.986 -9.350 1.00 97.17 6 A 1 ATOM 47 C CA . ALA A 1 6 ? 1.687 -4.607 -8.160 1.00 97.28 6 A 1 ATOM 48 C C . ALA A 1 6 ? 0.211 -4.353 -8.425 1.00 97.34 6 A 1 ATOM 49 O O . ALA A 1 6 ? -0.171 -3.884 -9.499 1.00 96.92 6 A 1 ATOM 50 C CB . ALA A 1 6 ? 2.312 -3.373 -7.521 1.00 97.01 6 A 1 ATOM 51 N N . TYR A 1 7 ? -0.598 -4.680 -7.440 1.00 97.08 7 A 1 ATOM 52 C CA . TYR A 1 7 ? -2.042 -4.475 -7.482 1.00 97.23 7 A 1 ATOM 53 C C . TYR A 1 7 ? -2.283 -3.352 -6.478 1.00 97.51 7 A 1 ATOM 54 O O . TYR A 1 7 ? -2.007 -3.518 -5.289 1.00 97.17 7 A 1 ATOM 55 C CB . TYR A 1 7 ? -2.751 -5.763 -7.049 1.00 96.26 7 A 1 ATOM 56 C CG . TYR A 1 7 ? -4.260 -5.780 -7.236 1.00 94.72 7 A 1 ATOM 57 C CD1 . TYR A 1 7 ? -4.901 -4.936 -8.138 1.00 91.00 7 A 1 ATOM 58 C CD2 . TYR A 1 7 ? -5.037 -6.696 -6.529 1.00 90.05 7 A 1 ATOM 59 C CE1 . TYR A 1 7 ? -6.277 -4.995 -8.331 1.00 85.64 7 A 1 ATOM 60 C CE2 . TYR A 1 7 ? -6.413 -6.769 -6.715 1.00 85.67 7 A 1 ATOM 61 C CZ . TYR A 1 7 ? -7.029 -5.919 -7.614 1.00 85.31 7 A 1 ATOM 62 O OH . TYR A 1 7 ? -8.392 -5.991 -7.798 1.00 80.45 7 A 1 ATOM 63 N N . ILE A 1 8 ? -2.765 -2.218 -6.960 1.00 97.88 8 A 1 ATOM 64 C CA . ILE A 1 8 ? -2.980 -1.067 -6.088 1.00 98.12 8 A 1 ATOM 65 C C . ILE A 1 8 ? -4.449 -0.882 -5.724 1.00 98.09 8 A 1 ATOM 66 O O . ILE A 1 8 ? -5.289 -0.649 -6.595 1.00 97.81 8 A 1 ATOM 67 C CB . ILE A 1 8 ? -2.452 0.225 -6.747 1.00 98.13 8 A 1 ATOM 68 C CG1 . ILE A 1 8 ? -0.966 0.060 -7.082 1.00 97.15 8 A 1 ATOM 69 C CG2 . ILE A 1 8 ? -2.661 1.418 -5.817 1.00 97.54 8 A 1 ATOM 70 C CD1 . ILE A 1 8 ? -0.351 1.256 -7.792 1.00 94.70 8 A 1 ATOM 71 N N . SER A 1 9 ? -4.743 -0.971 -4.437 1.00 98.36 9 A 1 ATOM 72 C CA . SER A 1 9 ? -6.102 -0.808 -3.932 1.00 98.46 9 A 1 ATOM 73 C C . SER A 1 9 ? -6.232 0.568 -3.287 1.00 98.55 9 A 1 ATOM 74 O O . SER A 1 9 ? -5.433 0.932 -2.423 1.00 98.45 9 A 1 ATOM 75 C CB . SER A 1 9 ? -6.418 -1.893 -2.896 1.00 98.30 9 A 1 ATOM 76 O OG . SER A 1 9 ? -7.686 -1.681 -2.306 1.00 97.53 9 A 1 ATOM 77 N N . TYR A 1 10 ? -7.236 1.320 -3.701 1.00 98.56 10 A 1 ATOM 78 C CA . TYR A 1 10 ? -7.460 2.658 -3.165 1.00 98.62 10 A 1 ATOM 79 C C . TYR A 1 10 ? -8.925 3.055 -3.321 1.00 98.50 10 A 1 ATOM 80 O O . TYR A 1 10 ? -9.662 2.436 -4.088 1.00 98.20 10 A 1 ATOM 81 C CB . TYR A 1 10 ? -6.579 3.681 -3.896 1.00 98.58 10 A 1 ATOM 82 C CG . TYR A 1 10 ? -6.972 3.910 -5.342 1.00 98.57 10 A 1 ATOM 83 C CD1 . TYR A 1 10 ? -6.685 2.959 -6.329 1.00 98.33 10 A 1 ATOM 84 C CD2 . TYR A 1 10 ? -7.639 5.071 -5.726 1.00 98.24 10 A 1 ATOM 85 C CE1 . TYR A 1 10 ? -7.059 3.160 -7.654 1.00 97.82 10 A 1 ATOM 86 C CE2 . TYR A 1 10 ? -8.018 5.284 -7.052 1.00 97.77 10 A 1 ATOM 87 C CZ . TYR A 1 10 ? -7.726 4.325 -8.008 1.00 97.70 10 A 1 ATOM 88 O OH . TYR A 1 10 ? -8.101 4.535 -9.318 1.00 96.62 10 A 1 ATOM 89 N N . VAL A 1 11 ? -9.347 4.085 -2.587 1.00 98.31 11 A 1 ATOM 90 C CA . VAL A 1 11 ? -10.723 4.563 -2.692 1.00 98.10 11 A 1 ATOM 91 C C . VAL A 1 11 ? -10.755 5.739 -3.661 1.00 98.09 11 A 1 ATOM 92 O O . VAL A 1 11 ? -9.818 6.538 -3.717 1.00 97.31 11 A 1 ATOM 93 C CB . VAL A 1 11 ? -11.292 5.004 -1.325 1.00 96.97 11 A 1 ATOM 94 C CG1 . VAL A 1 11 ? -11.553 3.777 -0.465 1.00 89.87 11 A 1 ATOM 95 C CG2 . VAL A 1 11 ? -10.336 5.959 -0.627 1.00 92.61 11 A 1 ATOM 96 N N . ASN A 1 12 ? -11.822 5.828 -4.427 1.00 97.58 12 A 1 ATOM 97 C CA . ASN A 1 12 ? -11.950 6.876 -5.435 1.00 97.05 12 A 1 ATOM 98 C C . ASN A 1 12 ? -12.517 8.201 -4.926 1.00 96.67 12 A 1 ATOM 99 O O . ASN A 1 12 ? -13.677 8.528 -5.170 1.00 94.55 12 A 1 ATOM 100 C CB . ASN A 1 12 ? -12.804 6.361 -6.596 1.00 95.38 12 A 1 ATOM 101 C CG . ASN A 1 12 ? -12.760 7.265 -7.817 1.00 93.54 12 A 1 ATOM 102 O OD1 . ASN A 1 12 ? -12.149 8.331 -7.801 1.00 88.82 12 A 1 ATOM 103 N ND2 . ASN A 1 12 ? -13.409 6.824 -8.891 1.00 86.29 12 A 1 ATOM 104 N N . ASN A 1 13 ? -11.680 8.970 -4.240 1.00 97.17 13 A 1 ATOM 105 C CA . ASN A 1 13 ? -12.035 10.317 -3.828 1.00 96.53 13 A 1 ATOM 106 C C . ASN A 1 13 ? -10.988 11.206 -4.500 1.00 97.12 13 A 1 ATOM 107 O O . ASN A 1 13 ? -9.948 10.716 -4.950 1.00 96.32 13 A 1 ATOM 108 C CB . ASN A 1 13 ? -12.022 10.489 -2.297 1.00 94.11 13 A 1 ATOM 109 C CG . ASN A 1 13 ? -10.664 10.251 -1.677 1.00 93.08 13 A 1 ATOM 110 O OD1 . ASN A 1 13 ? -9.662 10.839 -2.076 1.00 86.43 13 A 1 ATOM 111 N ND2 . ASN A 1 13 ? -10.639 9.410 -0.648 1.00 86.17 13 A 1 ATOM 112 N N . GLU A 1 14 ? -11.261 12.495 -4.582 1.00 97.08 14 A 1 ATOM 113 C CA . GLU A 1 14 ? -10.354 13.415 -5.271 1.00 97.15 14 A 1 ATOM 114 C C . GLU A 1 14 ? -8.892 13.338 -4.821 1.00 97.24 14 A 1 ATOM 115 O O . GLU A 1 14 ? -7.982 13.229 -5.650 1.00 96.45 14 A 1 ATOM 116 C CB . GLU A 1 14 ? -10.865 14.853 -5.138 1.00 96.47 14 A 1 ATOM 117 C CG . GLU A 1 14 ? -9.973 15.887 -5.814 1.00 90.10 14 A 1 ATOM 118 C CD . GLU A 1 14 ? -10.604 17.268 -5.840 1.00 85.45 14 A 1 ATOM 119 O OE1 . GLU A 1 14 ? -11.440 17.558 -4.963 1.00 80.11 14 A 1 ATOM 120 O OE2 . GLU A 1 14 ? -10.259 18.061 -6.739 1.00 79.15 14 A 1 ATOM 121 N N . ASN A 1 15 ? -8.662 13.402 -3.518 1.00 96.84 15 A 1 ATOM 122 C CA . ASN A 1 15 ? -7.294 13.383 -2.996 1.00 96.50 15 A 1 ATOM 123 C C . ASN A 1 15 ? -6.549 12.084 -3.298 1.00 97.27 15 A 1 ATOM 124 O O . ASN A 1 15 ? -5.434 12.109 -3.830 1.00 97.17 15 A 1 ATOM 125 C CB . ASN A 1 15 ? -7.295 13.629 -1.485 1.00 94.87 15 A 1 ATOM 126 C CG . ASN A 1 15 ? -5.898 13.620 -0.900 1.00 81.14 15 A 1 ATOM 127 O OD1 . ASN A 1 15 ? -5.401 12.582 -0.461 1.00 71.15 15 A 1 ATOM 128 N ND2 . ASN A 1 15 ? -5.249 14.775 -0.907 1.00 69.70 15 A 1 ATOM 129 N N . ASP A 1 16 ? -7.162 10.956 -2.971 1.00 97.69 16 A 1 ATOM 130 C CA . ASP A 1 16 ? -6.518 9.665 -3.186 1.00 98.17 16 A 1 ATOM 131 C C . ASP A 1 16 ? -6.382 9.325 -4.667 1.00 98.38 16 A 1 ATOM 132 O O . ASP A 1 16 ? -5.381 8.735 -5.081 1.00 98.27 16 A 1 ATOM 133 C CB . ASP A 1 16 ? -7.289 8.557 -2.460 1.00 97.98 16 A 1 ATOM 134 C CG . ASP A 1 16 ? -7.289 8.737 -0.950 1.00 97.63 16 A 1 ATOM 135 O OD1 . ASP A 1 16 ? -6.660 9.694 -0.451 1.00 96.04 16 A 1 ATOM 136 O OD2 . ASP A 1 16 ? -7.920 7.914 -0.256 1.00 95.47 16 A 1 ATOM 137 N N . ARG A 1 17 ? -7.377 9.691 -5.462 1.00 98.26 17 A 1 ATOM 138 C CA . ARG A 1 17 ? -7.330 9.429 -6.899 1.00 98.21 17 A 1 ATOM 139 C C . ARG A 1 17 ? -6.170 10.202 -7.531 1.00 98.23 17 A 1 ATOM 140 O O . ARG A 1 17 ? -5.443 9.673 -8.371 1.00 97.91 17 A 1 ATOM 141 C CB . ARG A 1 17 ? -8.651 9.821 -7.576 1.00 97.44 17 A 1 ATOM 142 C CG . ARG A 1 17 ? -8.670 9.518 -9.068 1.00 93.19 17 A 1 ATOM 143 C CD . ARG A 1 17 ? -10.020 9.812 -9.702 1.00 90.16 17 A 1 ATOM 144 N NE . ARG A 1 17 ? -10.412 11.218 -9.597 1.00 80.89 17 A 1 ATOM 145 C CZ . ARG A 1 17 ? -11.313 11.696 -8.743 1.00 73.73 17 A 1 ATOM 146 N NH1 . ARG A 1 17 ? -11.937 10.885 -7.905 1.00 65.52 17 A 1 ATOM 147 N NH2 . ARG A 1 17 ? -11.591 12.990 -8.727 1.00 66.29 17 A 1 ATOM 148 N N . LYS A 1 18 ? -5.998 11.447 -7.125 1.00 98.23 18 A 1 ATOM 149 C CA . LYS A 1 18 ? -4.917 12.272 -7.660 1.00 98.08 18 A 1 ATOM 150 C C . LYS A 1 18 ? -3.559 11.708 -7.247 1.00 98.14 18 A 1 ATOM 151 O O . LYS A 1 18 ? -2.629 11.657 -8.050 1.00 97.89 18 A 1 ATOM 152 C CB . LYS A 1 18 ? -5.048 13.719 -7.166 1.00 97.75 18 A 1 ATOM 153 C CG . LYS A 1 18 ? -6.173 14.495 -7.832 1.00 93.39 18 A 1 ATOM 154 C CD . LYS A 1 18 ? -6.203 15.940 -7.354 1.00 90.62 18 A 1 ATOM 155 C CE . LYS A 1 18 ? -7.285 16.739 -8.070 1.00 82.61 18 A 1 ATOM 156 N NZ . LYS A 1 18 ? -7.326 18.159 -7.615 1.00 75.89 18 A 1 ATOM 157 N N . PHE A 1 19 ? -3.455 11.278 -6.000 1.00 98.11 19 A 1 ATOM 158 C CA . PHE A 1 19 ? -2.202 10.716 -5.504 1.00 98.21 19 A 1 ATOM 159 C C . PHE A 1 19 ? -1.822 9.478 -6.314 1.00 98.27 19 A 1 ATOM 160 O O . PHE A 1 19 ? -0.684 9.339 -6.763 1.00 98.21 19 A 1 ATOM 161 C CB . PHE A 1 19 ? -2.329 10.333 -4.028 1.00 98.14 19 A 1 ATOM 162 C CG . PHE A 1 19 ? -1.139 9.572 -3.499 1.00 98.31 19 A 1 ATOM 163 C CD1 . PHE A 1 19 ? 0.087 10.205 -3.322 1.00 98.15 19 A 1 ATOM 164 C CD2 . PHE A 1 19 ? -1.238 8.214 -3.213 1.00 98.15 19 A 1 ATOM 165 C CE1 . PHE A 1 19 ? 1.196 9.498 -2.868 1.00 97.94 19 A 1 ATOM 166 C CE2 . PHE A 1 19 ? -0.134 7.499 -2.757 1.00 97.87 19 A 1 ATOM 167 C CZ . PHE A 1 19 ? 1.082 8.144 -2.585 1.00 98.01 19 A 1 ATOM 168 N N . VAL A 1 20 ? -2.781 8.588 -6.500 1.00 98.58 20 A 1 ATOM 169 C CA . VAL A 1 20 ? -2.530 7.353 -7.241 1.00 98.61 20 A 1 ATOM 170 C C . VAL A 1 20 ? -2.249 7.586 -8.724 1.00 98.52 20 A 1 ATOM 171 O O . VAL A 1 20 ? -1.266 7.069 -9.261 1.00 98.37 20 A 1 ATOM 172 C CB . VAL A 1 20 ? -3.717 6.372 -7.100 1.00 98.55 20 A 1 ATOM 173 C CG1 . VAL A 1 20 ? -3.533 5.169 -8.024 1.00 97.99 20 A 1 ATOM 174 C CG2 . VAL A 1 20 ? -3.830 5.909 -5.656 1.00 98.06 20 A 1 ATOM 175 N N . ASN A 1 21 ? -3.103 8.354 -9.384 1.00 98.39 21 A 1 ATOM 176 C CA . ASN A 1 21 ? -2.966 8.580 -10.820 1.00 98.13 21 A 1 ATOM 177 C C . ASN A 1 21 ? -1.935 9.609 -11.272 1.00 98.04 21 A 1 ATOM 178 O O . ASN A 1 21 ? -1.410 9.501 -12.379 1.00 97.29 21 A 1 ATOM 179 C CB . ASN A 1 21 ? -4.330 8.931 -11.414 1.00 97.58 21 A 1 ATOM 180 C CG . ASN A 1 21 ? -5.277 7.751 -11.437 1.00 94.69 21 A 1 ATOM 181 O OD1 . ASN A 1 21 ? -5.041 6.763 -12.129 1.00 85.38 21 A 1 ATOM 182 N ND2 . ASN A 1 21 ? -6.354 7.841 -10.669 1.00 82.88 21 A 1 ATOM 183 N N . PHE A 1 22 ? -1.650 10.596 -10.433 1.00 97.93 22 A 1 ATOM 184 C CA . PHE A 1 22 ? -0.700 11.634 -10.821 1.00 97.75 22 A 1 ATOM 185 C C . PHE A 1 22 ? 0.654 11.563 -10.122 1.00 97.71 22 A 1 ATOM 186 O O . PHE A 1 22 ? 1.593 12.257 -10.519 1.00 96.85 22 A 1 ATOM 187 C CB . PHE A 1 22 ? -1.317 13.021 -10.593 1.00 97.33 22 A 1 ATOM 188 C CG . PHE A 1 22 ? -2.604 13.238 -11.354 1.00 95.55 22 A 1 ATOM 189 C CD1 . PHE A 1 22 ? -2.751 12.770 -12.656 1.00 91.46 22 A 1 ATOM 190 C CD2 . PHE A 1 22 ? -3.664 13.924 -10.766 1.00 90.69 22 A 1 ATOM 191 C CE1 . PHE A 1 22 ? -3.936 12.977 -13.357 1.00 88.56 22 A 1 ATOM 192 C CE2 . PHE A 1 22 ? -4.845 14.137 -11.464 1.00 87.89 22 A 1 ATOM 193 C CZ . PHE A 1 22 ? -4.979 13.662 -12.758 1.00 87.74 22 A 1 ATOM 194 N N . ILE A 1 23 ? 0.765 10.738 -9.101 1.00 97.99 23 A 1 ATOM 195 C CA . ILE A 1 23 ? 2.026 10.629 -8.373 1.00 97.95 23 A 1 ATOM 196 C C . ILE A 1 23 ? 2.548 9.194 -8.316 1.00 98.02 23 A 1 ATOM 197 O O . ILE A 1 23 ? 3.603 8.891 -8.870 1.00 97.79 23 A 1 ATOM 198 C CB . ILE A 1 23 ? 1.883 11.183 -6.937 1.00 97.82 23 A 1 ATOM 199 C CG1 . ILE A 1 23 ? 1.509 12.665 -6.992 1.00 97.10 23 A 1 ATOM 200 C CG2 . ILE A 1 23 ? 3.193 10.981 -6.171 1.00 97.23 23 A 1 ATOM 201 C CD1 . ILE A 1 23 ? 1.279 13.293 -5.631 1.00 94.22 23 A 1 ATOM 202 N N . LEU A 1 24 ? 1.820 8.322 -7.631 1.00 98.16 24 A 1 ATOM 203 C CA . LEU A 1 24 ? 2.258 6.938 -7.462 1.00 98.21 24 A 1 ATOM 204 C C . LEU A 1 24 ? 2.395 6.166 -8.773 1.00 98.13 24 A 1 ATOM 205 O O . LEU A 1 24 ? 3.465 5.633 -9.076 1.00 97.95 24 A 1 ATOM 206 C CB . LEU A 1 24 ? 1.298 6.196 -6.523 1.00 98.19 24 A 1 ATOM 207 C CG . LEU A 1 24 ? 1.685 4.766 -6.134 1.00 97.56 24 A 1 ATOM 208 C CD1 . LEU A 1 24 ? 3.016 4.771 -5.394 1.00 97.31 24 A 1 ATOM 209 C CD2 . LEU A 1 24 ? 0.590 4.169 -5.260 1.00 97.37 24 A 1 ATOM 210 N N . LYS A 1 25 ? 1.318 6.098 -9.538 1.00 98.17 25 A 1 ATOM 211 C CA . LYS A 1 25 ? 1.312 5.356 -10.805 1.00 98.05 25 A 1 ATOM 212 C C . LYS A 1 25 ? 2.369 5.853 -11.800 1.00 97.85 25 A 1 ATOM 213 O O . LYS A 1 25 ? 3.164 5.053 -12.299 1.00 97.67 25 A 1 ATOM 214 C CB . LYS A 1 25 ? -0.086 5.411 -11.436 1.00 97.79 25 A 1 ATOM 215 C CG . LYS A 1 25 ? -0.235 4.644 -12.745 1.00 95.70 25 A 1 ATOM 216 C CD . LYS A 1 25 ? -1.699 4.650 -13.198 1.00 93.05 25 A 1 ATOM 217 C CE . LYS A 1 25 ? -1.891 3.893 -14.505 1.00 85.65 25 A 1 ATOM 218 N NZ . LYS A 1 25 ? -1.192 4.548 -15.645 1.00 79.30 25 A 1 ATOM 219 N N . PRO A 1 26 ? 2.393 7.154 -12.096 1.00 97.75 26 A 1 ATOM 220 C CA . PRO A 1 26 ? 3.374 7.666 -13.062 1.00 97.34 26 A 1 ATOM 221 C C . PRO A 1 26 ? 4.818 7.383 -12.653 1.00 96.97 26 A 1 ATOM 222 O O . PRO A 1 26 ? 5.652 7.045 -13.494 1.00 96.33 26 A 1 ATOM 223 C CB . PRO A 1 26 ? 3.078 9.166 -13.101 1.00 96.92 26 A 1 ATOM 224 C CG . PRO A 1 26 ? 1.616 9.227 -12.787 1.00 95.44 26 A 1 ATOM 225 C CD . PRO A 1 26 ? 1.475 8.219 -11.675 1.00 97.51 26 A 1 ATOM 226 N N . HIS A 1 27 ? 5.105 7.516 -11.374 1.00 97.03 27 A 1 ATOM 227 C CA . HIS A 1 27 ? 6.463 7.295 -10.883 1.00 96.55 27 A 1 ATOM 228 C C . HIS A 1 27 ? 6.875 5.835 -11.063 1.00 96.22 27 A 1 ATOM 229 O O . HIS A 1 27 ? 7.952 5.544 -11.594 1.00 95.67 27 A 1 ATOM 230 C CB . HIS A 1 27 ? 6.554 7.686 -9.407 1.00 96.05 27 A 1 ATOM 231 C CG . HIS A 1 27 ? 7.964 7.856 -8.915 1.00 92.85 27 A 1 ATOM 232 N ND1 . HIS A 1 27 ? 8.531 9.098 -8.720 1.00 78.76 27 A 1 ATOM 233 C CD2 . HIS A 1 27 ? 8.913 6.957 -8.587 1.00 80.06 27 A 1 ATOM 234 C CE1 . HIS A 1 27 ? 9.774 8.948 -8.290 1.00 81.74 27 A 1 ATOM 235 N NE2 . HIS A 1 27 ? 10.035 7.662 -8.205 1.00 83.13 27 A 1 ATOM 236 N N . LEU A 1 28 ? 6.030 4.922 -10.624 1.00 97.03 28 A 1 ATOM 237 C CA . LEU A 1 28 ? 6.339 3.499 -10.734 1.00 96.77 28 A 1 ATOM 238 C C . LEU A 1 28 ? 6.420 3.020 -12.185 1.00 96.13 28 A 1 ATOM 239 O O . LEU A 1 28 ? 7.286 2.213 -12.525 1.00 95.39 28 A 1 ATOM 240 C CB . LEU A 1 28 ? 5.301 2.670 -9.970 1.00 96.99 28 A 1 ATOM 241 C CG . LEU A 1 28 ? 5.317 2.813 -8.445 1.00 96.53 28 A 1 ATOM 242 C CD1 . LEU A 1 28 ? 4.173 2.009 -7.844 1.00 95.92 28 A 1 ATOM 243 C CD2 . LEU A 1 28 ? 6.652 2.332 -7.893 1.00 95.68 28 A 1 ATOM 244 N N . GLU A 1 29 ? 5.532 3.516 -13.029 1.00 96.94 29 A 1 ATOM 245 C CA . GLU A 1 29 ? 5.517 3.096 -14.430 1.00 96.62 29 A 1 ATOM 246 C C . GLU A 1 29 ? 6.597 3.761 -15.283 1.00 95.61 29 A 1 ATOM 247 O O . GLU A 1 29 ? 7.317 3.085 -16.021 1.00 94.36 29 A 1 ATOM 248 C CB . GLU A 1 29 ? 4.146 3.373 -15.059 1.00 96.75 29 A 1 ATOM 249 C CG . GLU A 1 29 ? 2.988 2.645 -14.404 1.00 95.93 29 A 1 ATOM 250 C CD . GLU A 1 29 ? 1.695 2.811 -15.187 1.00 95.57 29 A 1 ATOM 251 O OE1 . GLU A 1 29 ? 1.479 3.901 -15.759 1.00 93.65 29 A 1 ATOM 252 O OE2 . GLU A 1 29 ? 0.898 1.850 -15.233 1.00 93.71 29 A 1 ATOM 253 N N . ASN A 1 30 ? 6.707 5.068 -15.182 1.00 95.78 30 A 1 ATOM 254 C CA . ASN A 1 30 ? 7.662 5.807 -16.005 1.00 94.83 30 A 1 ATOM 255 C C . ASN A 1 30 ? 9.119 5.784 -15.548 1.00 93.55 30 A 1 ATOM 256 O O . ASN A 1 30 ? 10.028 5.776 -16.377 1.00 91.37 30 A 1 ATOM 257 C CB . ASN A 1 30 ? 7.200 7.260 -16.159 1.00 94.34 30 A 1 ATOM 258 C CG . ASN A 1 30 ? 5.825 7.369 -16.788 1.00 91.70 30 A 1 ATOM 259 O OD1 . ASN A 1 30 ? 5.464 6.575 -17.656 1.00 86.43 30 A 1 ATOM 260 N ND2 . ASN A 1 30 ? 5.052 8.357 -16.353 1.00 84.87 30 A 1 ATOM 261 N N . LYS A 1 31 ? 9.343 5.768 -14.243 1.00 93.96 31 A 1 ATOM 262 C CA . LYS A 1 31 ? 10.712 5.773 -13.735 1.00 92.28 31 A 1 ATOM 263 C C . LYS A 1 31 ? 11.271 4.376 -13.471 1.00 91.27 31 A 1 ATOM 264 O O . LYS A 1 31 ? 12.482 4.164 -13.550 1.00 88.51 31 A 1 ATOM 265 C CB . LYS A 1 31 ? 10.808 6.617 -12.461 1.00 91.06 31 A 1 ATOM 266 C CG . LYS A 1 31 ? 10.410 8.073 -12.660 1.00 84.47 31 A 1 ATOM 267 C CD . LYS A 1 31 ? 10.687 8.899 -11.413 1.00 78.53 31 A 1 ATOM 268 C CE . LYS A 1 31 ? 12.177 9.150 -11.234 1.00 71.22 31 A 1 ATOM 269 N NZ . LYS A 1 31 ? 12.754 9.951 -12.344 1.00 63.21 31 A 1 ATOM 270 N N . TYR A 1 32 ? 10.391 3.434 -13.170 1.00 92.29 32 A 1 ATOM 271 C CA . TYR A 1 32 ? 10.843 2.077 -12.862 1.00 91.19 32 A 1 ATOM 272 C C . TYR A 1 32 ? 10.261 1.000 -13.775 1.00 91.27 32 A 1 ATOM 273 O O . TYR A 1 32 ? 10.528 -0.193 -13.594 1.00 89.02 32 A 1 ATOM 274 C CB . TYR A 1 32 ? 10.531 1.769 -11.398 1.00 89.43 32 A 1 ATOM 275 C CG . TYR A 1 32 ? 11.177 2.755 -10.447 1.00 86.92 32 A 1 ATOM 276 C CD1 . TYR A 1 32 ? 12.561 2.889 -10.397 1.00 81.86 32 A 1 ATOM 277 C CD2 . TYR A 1 32 ? 10.405 3.569 -9.625 1.00 81.83 32 A 1 ATOM 278 C CE1 . TYR A 1 32 ? 13.164 3.819 -9.556 1.00 78.85 32 A 1 ATOM 279 C CE2 . TYR A 1 32 ? 11.002 4.501 -8.782 1.00 78.68 32 A 1 ATOM 280 C CZ . TYR A 1 32 ? 12.380 4.623 -8.753 1.00 78.42 32 A 1 ATOM 281 O OH . TYR A 1 32 ? 12.973 5.544 -7.924 1.00 74.15 32 A 1 ATOM 282 N N . SER A 1 33 ? 9.482 1.421 -14.764 1.00 93.41 33 A 1 ATOM 283 C CA . SER A 1 33 ? 8.901 0.510 -15.748 1.00 93.90 33 A 1 ATOM 284 C C . SER A 1 33 ? 8.063 -0.627 -15.154 1.00 94.73 33 A 1 ATOM 285 O O . SER A 1 33 ? 8.012 -1.726 -15.703 1.00 93.27 33 A 1 ATOM 286 C CB . SER A 1 33 ? 10.015 -0.071 -16.626 1.00 92.30 33 A 1 ATOM 287 O OG . SER A 1 33 ? 9.489 -0.717 -17.766 1.00 83.95 33 A 1 ATOM 288 N N . HIS A 1 34 ? 7.398 -0.363 -14.042 1.00 95.59 34 A 1 ATOM 289 C CA . HIS A 1 34 ? 6.554 -1.372 -13.410 1.00 96.29 34 A 1 ATOM 290 C C . HIS A 1 34 ? 5.199 -1.444 -14.105 1.00 96.70 34 A 1 ATOM 291 O O . HIS A 1 34 ? 4.683 -0.434 -14.587 1.00 96.44 34 A 1 ATOM 292 C CB . HIS A 1 34 ? 6.325 -1.045 -11.934 1.00 96.01 34 A 1 ATOM 293 C CG . HIS A 1 34 ? 7.498 -1.334 -11.054 1.00 95.45 34 A 1 ATOM 294 N ND1 . HIS A 1 34 ? 8.064 -2.586 -10.953 1.00 87.89 34 A 1 ATOM 295 C CD2 . HIS A 1 34 ? 8.191 -0.538 -10.211 1.00 88.02 34 A 1 ATOM 296 C CE1 . HIS A 1 34 ? 9.061 -2.546 -10.091 1.00 89.29 34 A 1 ATOM 297 N NE2 . HIS A 1 34 ? 9.161 -1.315 -9.625 1.00 90.55 34 A 1 ATOM 298 N N . LYS A 1 35 ? 4.629 -2.642 -14.146 1.00 96.80 35 A 1 ATOM 299 C CA . LYS A 1 35 ? 3.315 -2.834 -14.742 1.00 96.84 35 A 1 ATOM 300 C C . LYS A 1 35 ? 2.339 -2.938 -13.577 1.00 97.12 35 A 1 ATOM 301 O O . LYS A 1 35 ? 2.493 -3.788 -12.702 1.00 96.69 35 A 1 ATOM 302 C CB . LYS A 1 35 ? 3.287 -4.113 -15.593 1.00 96.03 35 A 1 ATOM 303 C CG . LYS A 1 35 ? 2.006 -4.276 -16.396 1.00 87.55 35 A 1 ATOM 304 C CD . LYS A 1 35 ? 2.105 -5.456 -17.355 1.00 82.58 35 A 1 ATOM 305 C CE . LYS A 1 35 ? 0.840 -5.599 -18.180 1.00 72.05 35 A 1 ATOM 306 N NZ . LYS A 1 35 ? 0.543 -4.378 -18.980 1.00 64.05 35 A 1 ATOM 307 N N . LEU A 1 36 ? 1.344 -2.061 -13.565 1.00 97.42 36 A 1 ATOM 308 C CA . LEU A 1 36 ? 0.404 -1.997 -12.449 1.00 97.47 36 A 1 ATOM 309 C C . LEU A 1 36 ? -1.041 -2.319 -12.796 1.00 97.27 36 A 1 ATOM 310 O O . LEU A 1 36 ? -1.459 -2.199 -13.948 1.00 96.76 36 A 1 ATOM 311 C CB . LEU A 1 36 ? 0.443 -0.596 -11.831 1.00 97.47 36 A 1 ATOM 312 C CG . LEU A 1 36 ? 1.821 -0.000 -11.542 1.00 97.15 36 A 1 ATOM 313 C CD1 . LEU A 1 36 ? 1.670 1.454 -11.118 1.00 96.67 36 A 1 ATOM 314 C CD2 . LEU A 1 36 ? 2.511 -0.810 -10.459 1.00 96.54 36 A 1 ATOM 315 N N . LEU A 1 37 ? -1.778 -2.733 -11.778 1.00 97.19 37 A 1 ATOM 316 C CA . LEU A 1 37 ? -3.197 -3.021 -11.914 1.00 96.92 37 A 1 ATOM 317 C C . LEU A 1 37 ? -3.871 -2.231 -10.798 1.00 97.16 37 A 1 ATOM 318 O O . LEU A 1 37 ? -3.597 -2.463 -9.621 1.00 96.64 37 A 1 ATOM 319 C CB . LEU A 1 37 ? -3.471 -4.523 -11.751 1.00 95.78 37 A 1 ATOM 320 C CG . LEU A 1 37 ? -4.933 -4.965 -11.887 1.00 89.74 37 A 1 ATOM 321 C CD1 . LEU A 1 37 ? -5.469 -4.571 -13.255 1.00 87.61 37 A 1 ATOM 322 C CD2 . LEU A 1 37 ? -5.029 -6.473 -11.695 1.00 87.39 37 A 1 ATOM 323 N N . LEU A 1 38 ? -4.730 -1.289 -11.170 1.00 97.26 38 A 1 ATOM 324 C CA . LEU A 1 38 ? -5.410 -0.457 -10.180 1.00 97.05 38 A 1 ATOM 325 C C . LEU A 1 38 ? -6.833 -0.921 -9.903 1.00 96.44 38 A 1 ATOM 326 O O . LEU A 1 38 ? -7.522 -1.411 -10.796 1.00 95.21 38 A 1 ATOM 327 C CB . LEU A 1 38 ? -5.446 1.000 -10.646 1.00 96.87 38 A 1 ATOM 328 C CG . LEU A 1 38 ? -4.137 1.650 -11.109 1.00 95.14 38 A 1 ATOM 329 C CD1 . LEU A 1 38 ? -4.363 3.140 -11.314 1.00 91.80 38 A 1 ATOM 330 C CD2 . LEU A 1 38 ? -3.042 1.417 -10.091 1.00 90.85 38 A 1 ATOM 331 N N . ASN A 1 39 ? -7.262 -0.765 -8.662 1.00 96.70 39 A 1 ATOM 332 C CA . ASN A 1 39 ? -8.609 -1.155 -8.263 1.00 96.65 39 A 1 ATOM 333 C C . ASN A 1 39 ? -9.138 -0.154 -7.237 1.00 97.42 39 A 1 ATOM 334 O O . ASN A 1 39 ? -8.630 -0.079 -6.125 1.00 97.10 39 A 1 ATOM 335 C CB . ASN A 1 39 ? -8.598 -2.565 -7.663 1.00 94.42 39 A 1 ATOM 336 C CG . ASN A 1 39 ? -9.996 -3.115 -7.452 1.00 90.44 39 A 1 ATOM 337 O OD1 . ASN A 1 39 ? -10.960 -2.368 -7.314 1.00 79.46 39 A 1 ATOM 338 N ND2 . ASN A 1 39 ? -10.114 -4.438 -7.424 1.00 78.55 39 A 1 ATOM 339 N N . ASP A 1 40 ? -10.156 0.601 -7.620 1.00 97.30 40 A 1 ATOM 340 C CA . ASP A 1 40 ? -10.740 1.585 -6.717 1.00 97.26 40 A 1 ATOM 341 C C . ASP A 1 40 ? -12.050 1.105 -6.101 1.00 97.05 40 A 1 ATOM 342 O O . ASP A 1 40 ? -12.819 1.901 -5.561 1.00 95.45 40 A 1 ATOM 343 C CB . ASP A 1 40 ? -10.962 2.923 -7.444 1.00 96.72 40 A 1 ATOM 344 C CG . ASP A 1 40 ? -11.968 2.826 -8.575 1.00 96.09 40 A 1 ATOM 345 O OD1 . ASP A 1 40 ? -12.453 1.720 -8.876 1.00 93.78 40 A 1 ATOM 346 O OD2 . ASP A 1 40 ? -12.272 3.881 -9.170 1.00 92.34 40 A 1 ATOM 347 N N . THR A 1 41 ? -12.292 -0.198 -6.173 1.00 96.10 41 A 1 ATOM 348 C CA . THR A 1 41 ? -13.508 -0.765 -5.596 1.00 95.39 41 A 1 ATOM 349 C C . THR A 1 41 ? -13.175 -1.495 -4.296 1.00 95.84 41 A 1 ATOM 350 O O . THR A 1 41 ? -12.015 -1.758 -3.993 1.00 94.36 41 A 1 ATOM 351 C CB . THR A 1 41 ? -14.186 -1.757 -6.563 1.00 93.25 41 A 1 ATOM 352 O OG1 . THR A 1 41 ? -13.358 -2.913 -6.737 1.00 86.37 41 A 1 ATOM 353 C CG2 . THR A 1 41 ? -14.434 -1.103 -7.915 1.00 85.14 41 A 1 ATOM 354 N N . ASN A 1 42 ? -14.216 -1.826 -3.532 1.00 95.65 42 A 1 ATOM 355 C CA . ASN A 1 42 ? -14.044 -2.526 -2.265 1.00 96.01 42 A 1 ATOM 356 C C . ASN A 1 42 ? -13.522 -3.941 -2.512 1.00 96.31 42 A 1 ATOM 357 O O . ASN A 1 42 ? -14.217 -4.774 -3.082 1.00 95.62 42 A 1 ATOM 358 C CB . ASN A 1 42 ? -15.382 -2.583 -1.527 1.00 94.97 42 A 1 ATOM 359 C CG . ASN A 1 42 ? -15.266 -3.160 -0.132 1.00 94.46 42 A 1 ATOM 360 O OD1 . ASN A 1 42 ? -14.189 -3.552 0.307 1.00 91.93 42 A 1 ATOM 361 N ND2 . ASN A 1 42 ? -16.387 -3.205 0.580 1.00 90.69 42 A 1 ATOM 362 N N . ILE A 1 43 ? -12.293 -4.207 -2.079 1.00 96.99 43 A 1 ATOM 363 C CA . ILE A 1 43 ? -11.691 -5.523 -2.275 1.00 96.94 43 A 1 ATOM 364 C C . ILE A 1 43 ? -12.091 -6.524 -1.196 1.00 97.34 43 A 1 ATOM 365 O O . ILE A 1 43 ? -11.835 -7.718 -1.333 1.00 96.76 43 A 1 ATOM 366 C CB . ILE A 1 43 ? -10.148 -5.435 -2.307 1.00 96.38 43 A 1 ATOM 367 C CG1 . ILE A 1 43 ? -9.619 -4.815 -1.009 1.00 94.78 43 A 1 ATOM 368 C CG2 . ILE A 1 43 ? -9.703 -4.631 -3.520 1.00 92.27 43 A 1 ATOM 369 C CD1 . ILE A 1 43 ? -8.105 -4.824 -0.891 1.00 94.53 43 A 1 ATOM 370 N N . LEU A 1 44 ? -12.716 -6.038 -0.135 1.00 97.18 44 A 1 ATOM 371 C CA . LEU A 1 44 ? -13.123 -6.902 0.971 1.00 97.26 44 A 1 ATOM 372 C C . LEU A 1 44 ? -14.557 -6.633 1.432 1.00 97.09 44 A 1 ATOM 373 O O . LEU A 1 44 ? -14.799 -6.285 2.587 1.00 95.88 44 A 1 ATOM 374 C CB . LEU A 1 44 ? -12.165 -6.716 2.153 1.00 96.88 44 A 1 ATOM 375 C CG . LEU A 1 44 ? -10.742 -7.243 1.979 1.00 96.29 44 A 1 ATOM 376 C CD1 . LEU A 1 44 ? -9.836 -6.684 3.061 1.00 95.07 44 A 1 ATOM 377 C CD2 . LEU A 1 44 ? -10.757 -8.767 2.036 1.00 95.32 44 A 1 ATOM 378 N N . PRO A 1 45 ? -15.537 -6.822 0.536 1.00 96.69 45 A 1 ATOM 379 C CA . PRO A 1 45 ? -16.930 -6.599 0.920 1.00 95.87 45 A 1 ATOM 380 C C . PRO A 1 45 ? -17.307 -7.567 2.039 1.00 95.47 45 A 1 ATOM 381 O O . PRO A 1 45 ? -17.144 -8.783 1.909 1.00 93.00 45 A 1 ATOM 382 C CB . PRO A 1 45 ? -17.702 -6.861 -0.375 1.00 95.02 45 A 1 ATOM 383 C CG . PRO A 1 45 ? -16.830 -7.835 -1.109 1.00 93.62 45 A 1 ATOM 384 C CD . PRO A 1 45 ? -15.444 -7.292 -0.856 1.00 96.36 45 A 1 ATOM 385 N N . GLY A 1 46 ? -17.795 -7.016 3.148 1.00 95.08 46 A 1 ATOM 386 C CA . GLY A 1 46 ? -18.158 -7.863 4.272 1.00 93.96 46 A 1 ATOM 387 C C . GLY A 1 46 ? -16.930 -8.492 4.919 1.00 94.52 46 A 1 ATOM 388 O O . GLY A 1 46 ? -17.027 -9.516 5.591 1.00 91.33 46 A 1 ATOM 389 N N . ALA A 1 47 ? -15.777 -7.868 4.689 1.00 93.81 47 A 1 ATOM 390 C CA . ALA A 1 47 ? -14.498 -8.353 5.212 1.00 94.03 47 A 1 ATOM 391 C C . ALA A 1 47 ? -14.069 -9.679 4.576 1.00 95.11 47 A 1 ATOM 392 O O . ALA A 1 47 ? -13.208 -10.384 5.104 1.00 93.20 47 A 1 ATOM 393 C CB . ALA A 1 47 ? -14.551 -8.496 6.733 1.00 92.18 47 A 1 ATOM 394 N N . GLU A 1 48 ? -14.660 -10.015 3.435 1.00 96.45 48 A 1 ATOM 395 C CA . GLU A 1 48 ? -14.318 -11.238 2.712 1.00 96.76 48 A 1 ATOM 396 C C . GLU A 1 48 ? -13.734 -10.867 1.348 1.00 97.03 48 A 1 ATOM 397 O O . GLU A 1 48 ? -14.223 -9.947 0.694 1.00 96.38 48 A 1 ATOM 398 C CB . GLU A 1 48 ? -15.561 -12.113 2.506 1.00 95.84 48 A 1 ATOM 399 C CG . GLU A 1 48 ? -16.165 -12.687 3.785 1.00 91.10 48 A 1 ATOM 400 C CD . GLU A 1 48 ? -15.218 -13.635 4.502 1.00 88.81 48 A 1 ATOM 401 O OE1 . GLU A 1 48 ? -14.434 -14.331 3.825 1.00 81.75 48 A 1 ATOM 402 O OE2 . GLU A 1 48 ? -15.268 -13.691 5.745 1.00 82.44 48 A 1 ATOM 403 N N . PRO A 1 49 ? -12.703 -11.561 0.903 1.00 97.58 49 A 1 ATOM 404 C CA . PRO A 1 49 ? -12.076 -11.261 -0.388 1.00 97.51 49 A 1 ATOM 405 C C . PRO A 1 49 ? -13.073 -11.341 -1.543 1.00 97.54 49 A 1 ATOM 406 O O . PRO A 1 49 ? -13.797 -12.324 -1.673 1.00 97.09 49 A 1 ATOM 407 C CB . PRO A 1 49 ? -10.995 -12.332 -0.505 1.00 97.02 49 A 1 ATOM 408 C CG . PRO A 1 49 ? -10.648 -12.636 0.917 1.00 95.59 49 A 1 ATOM 409 C CD . PRO A 1 49 ? -11.994 -12.659 1.592 1.00 97.15 49 A 1 ATOM 410 N N . SER A 1 50 ? -13.105 -10.309 -2.376 1.00 97.47 50 A 1 ATOM 411 C CA . SER A 1 50 ? -14.001 -10.308 -3.525 1.00 97.25 50 A 1 ATOM 412 C C . SER A 1 50 ? -13.436 -11.279 -4.559 1.00 97.27 50 A 1 ATOM 413 O O . SER A 1 50 ? -12.249 -11.608 -4.536 1.00 97.08 50 A 1 ATOM 414 C CB . SER A 1 50 ? -14.093 -8.905 -4.135 1.00 96.72 50 A 1 ATOM 415 O OG . SER A 1 50 ? -12.859 -8.526 -4.723 1.00 95.14 50 A 1 ATOM 416 N N . ALA A 1 51 ? -14.293 -11.734 -5.467 1.00 96.95 51 A 1 ATOM 417 C CA . ALA A 1 51 ? -13.858 -12.660 -6.506 1.00 96.44 51 A 1 ATOM 418 C C . ALA A 1 51 ? -12.768 -12.003 -7.348 1.00 96.04 51 A 1 ATOM 419 O O . ALA A 1 51 ? -11.805 -12.654 -7.758 1.00 95.14 51 A 1 ATOM 420 C CB . ALA A 1 51 ? -15.043 -13.049 -7.384 1.00 95.82 51 A 1 ATOM 421 N N . GLU A 1 52 ? -12.927 -10.709 -7.589 1.00 95.82 52 A 1 ATOM 422 C CA . GLU A 1 52 ? -11.958 -9.961 -8.385 1.00 94.88 52 A 1 ATOM 423 C C . GLU A 1 52 ? -10.597 -9.920 -7.696 1.00 95.06 52 A 1 ATOM 424 O O . GLU A 1 52 ? -9.559 -10.095 -8.337 1.00 94.23 52 A 1 ATOM 425 C CB . GLU A 1 52 ? -12.458 -8.537 -8.633 1.00 92.92 52 A 1 ATOM 426 C CG . GLU A 1 52 ? -11.618 -7.771 -9.648 1.00 81.22 52 A 1 ATOM 427 C CD . GLU A 1 52 ? -12.122 -6.355 -9.879 1.00 76.26 52 A 1 ATOM 428 O OE1 . GLU A 1 52 ? -13.332 -6.115 -9.693 1.00 70.89 52 A 1 ATOM 429 O OE2 . GLU A 1 52 ? -11.311 -5.489 -10.259 1.00 69.55 52 A 1 ATOM 430 N N . LEU A 1 53 ? -10.607 -9.685 -6.385 1.00 96.16 53 A 1 ATOM 431 C CA . LEU A 1 53 ? -9.359 -9.639 -5.629 1.00 96.51 53 A 1 ATOM 432 C C . LEU A 1 53 ? -8.653 -10.990 -5.677 1.00 96.37 53 A 1 ATOM 433 O O . LEU A 1 53 ? -7.448 -11.058 -5.923 1.00 95.98 53 A 1 ATOM 434 C CB . LEU A 1 53 ? -9.621 -9.257 -4.170 1.00 96.59 53 A 1 ATOM 435 C CG . LEU A 1 53 ? -8.399 -9.317 -3.242 1.00 96.38 53 A 1 ATOM 436 C CD1 . LEU A 1 53 ? -7.358 -8.303 -3.694 1.00 95.53 53 A 1 ATOM 437 C CD2 . LEU A 1 53 ? -8.821 -9.044 -1.805 1.00 95.39 53 A 1 ATOM 438 N N . LEU A 1 54 ? -9.405 -12.057 -5.441 1.00 96.69 54 A 1 ATOM 439 C CA . LEU A 1 54 ? -8.838 -13.402 -5.444 1.00 96.12 54 A 1 ATOM 440 C C . LEU A 1 54 ? -8.156 -13.729 -6.768 1.00 95.15 54 A 1 ATOM 441 O O . LEU A 1 54 ? -7.061 -14.292 -6.792 1.00 94.04 54 A 1 ATOM 442 C CB . LEU A 1 54 ? -9.928 -14.438 -5.152 1.00 96.02 54 A 1 ATOM 443 C CG . LEU A 1 54 ? -10.482 -14.443 -3.725 1.00 95.03 54 A 1 ATOM 444 C CD1 . LEU A 1 54 ? -11.664 -15.399 -3.636 1.00 94.00 54 A 1 ATOM 445 C CD2 . LEU A 1 54 ? -9.390 -14.854 -2.748 1.00 93.75 54 A 1 ATOM 446 N N . MET A 1 55 ? -8.810 -13.377 -7.862 1.00 94.67 55 A 1 ATOM 447 C CA . MET A 1 55 ? -8.251 -13.645 -9.182 1.00 93.51 55 A 1 ATOM 448 C C . MET A 1 55 ? -7.043 -12.768 -9.495 1.00 93.06 55 A 1 ATOM 449 O O . MET A 1 55 ? -5.990 -13.267 -9.895 1.00 91.68 55 A 1 ATOM 450 C CB . MET A 1 55 ? -9.314 -13.438 -10.258 1.00 91.71 55 A 1 ATOM 451 C CG . MET A 1 55 ? -8.802 -13.643 -11.674 1.00 79.94 55 A 1 ATOM 452 S SD . MET A 1 55 ? -10.056 -13.344 -12.939 1.00 73.74 55 A 1 ATOM 453 C CE . MET A 1 55 ? -10.146 -11.548 -12.895 1.00 64.71 55 A 1 ATOM 454 N N . ASN A 1 56 ? -7.200 -11.467 -9.315 1.00 93.94 56 A 1 ATOM 455 C CA . ASN A 1 56 ? -6.124 -10.541 -9.646 1.00 93.24 56 A 1 ATOM 456 C C . ASN A 1 56 ? -4.914 -10.549 -8.714 1.00 93.97 56 A 1 ATOM 457 O O . ASN A 1 56 ? -3.798 -10.291 -9.156 1.00 92.98 56 A 1 ATOM 458 C CB . ASN A 1 56 ? -6.677 -9.121 -9.771 1.00 91.59 56 A 1 ATOM 459 C CG . ASN A 1 56 ? -7.600 -8.964 -10.964 1.00 89.03 56 A 1 ATOM 460 O OD1 . ASN A 1 56 ? -7.403 -9.594 -12.002 1.00 83.61 56 A 1 ATOM 461 N ND2 . ASN A 1 56 ? -8.608 -8.112 -10.823 1.00 82.26 56 A 1 ATOM 462 N N . ILE A 1 57 ? -5.119 -10.845 -7.441 1.00 94.45 57 A 1 ATOM 463 C CA . ILE A 1 57 ? -3.997 -10.851 -6.506 1.00 94.13 57 A 1 ATOM 464 C C . ILE A 1 57 ? -3.002 -11.951 -6.885 1.00 94.21 57 A 1 ATOM 465 O O . ILE A 1 57 ? -1.802 -11.816 -6.657 1.00 93.30 57 A 1 ATOM 466 C CB . ILE A 1 57 ? -4.474 -11.057 -5.043 1.00 92.77 57 A 1 ATOM 467 C CG1 . ILE A 1 57 ? -3.353 -10.681 -4.071 1.00 81.83 57 A 1 ATOM 468 C CG2 . ILE A 1 57 ? -4.910 -12.508 -4.811 1.00 80.45 57 A 1 ATOM 469 C CD1 . ILE A 1 57 ? -2.978 -9.218 -4.105 1.00 74.74 57 A 1 ATOM 470 N N . SER A 1 58 ? -3.504 -13.025 -7.481 1.00 93.94 58 A 1 ATOM 471 C CA . SER A 1 58 ? -2.645 -14.131 -7.893 1.00 93.06 58 A 1 ATOM 472 C C . SER A 1 58 ? -1.834 -13.780 -9.139 1.00 93.45 58 A 1 ATOM 473 O O . SER A 1 58 ? -0.885 -14.481 -9.491 1.00 91.51 58 A 1 ATOM 474 C CB . SER A 1 58 ? -3.485 -15.389 -8.162 1.00 91.08 58 A 1 ATOM 475 O OG . SER A 1 58 ? -4.289 -15.228 -9.314 1.00 80.74 58 A 1 ATOM 476 N N . ARG A 1 59 ? -2.215 -12.689 -9.794 1.00 95.19 59 A 1 ATOM 477 C CA . ARG A 1 59 ? -1.534 -12.253 -11.010 1.00 95.45 59 A 1 ATOM 478 C C . ARG A 1 59 ? -0.584 -11.090 -10.742 1.00 95.98 59 A 1 ATOM 479 O O . ARG A 1 59 ? 0.062 -10.578 -11.659 1.00 95.06 59 A 1 ATOM 480 C CB . ARG A 1 59 ? -2.572 -11.847 -12.064 1.00 94.12 59 A 1 ATOM 481 C CG . ARG A 1 59 ? -3.576 -12.945 -12.405 1.00 90.66 59 A 1 ATOM 482 C CD . ARG A 1 59 ? -4.659 -12.443 -13.345 1.00 86.72 59 A 1 ATOM 483 N NE . ARG A 1 59 ? -4.124 -12.050 -14.644 1.00 79.61 59 A 1 ATOM 484 C CZ . ARG A 1 59 ? -4.851 -11.502 -15.617 1.00 74.76 59 A 1 ATOM 485 N NH1 . ARG A 1 59 ? -6.143 -11.279 -15.439 1.00 68.65 59 A 1 ATOM 486 N NH2 . ARG A 1 59 ? -4.285 -11.177 -16.770 1.00 66.54 59 A 1 ATOM 487 N N . CYS A 1 60 ? -0.497 -10.689 -9.484 1.00 96.25 60 A 1 ATOM 488 C CA . CYS A 1 60 ? 0.359 -9.571 -9.097 1.00 96.23 60 A 1 ATOM 489 C C . CYS A 1 60 ? 1.415 -10.002 -8.085 1.00 95.94 60 A 1 ATOM 490 O O . CYS A 1 60 ? 1.139 -10.794 -7.189 1.00 95.01 60 A 1 ATOM 491 C CB . CYS A 1 60 ? -0.490 -8.445 -8.502 1.00 95.84 60 A 1 ATOM 492 S SG . CYS A 1 60 ? -1.731 -7.771 -9.632 1.00 92.89 60 A 1 ATOM 493 N N . GLN A 1 61 ? 2.626 -9.477 -8.233 1.00 96.12 61 A 1 ATOM 494 C CA . GLN A 1 61 ? 3.711 -9.821 -7.317 1.00 95.72 61 A 1 ATOM 495 C C . GLN A 1 61 ? 3.607 -9.107 -5.974 1.00 95.82 61 A 1 ATOM 496 O O . GLN A 1 61 ? 4.124 -9.589 -4.966 1.00 94.94 61 A 1 ATOM 497 C CB . GLN A 1 61 ? 5.069 -9.504 -7.957 1.00 94.99 61 A 1 ATOM 498 C CG . GLN A 1 61 ? 5.370 -10.309 -9.214 1.00 92.20 61 A 1 ATOM 499 C CD . GLN A 1 61 ? 6.789 -10.108 -9.698 1.00 87.26 61 A 1 ATOM 500 O OE1 . GLN A 1 61 ? 7.743 -10.391 -8.976 1.00 77.62 61 A 1 ATOM 501 N NE2 . GLN A 1 61 ? 6.941 -9.611 -10.923 1.00 74.73 61 A 1 ATOM 502 N N . ARG A 1 62 ? 2.937 -7.964 -5.959 1.00 96.55 62 A 1 ATOM 503 C CA . ARG A 1 62 ? 2.791 -7.181 -4.734 1.00 96.94 62 A 1 ATOM 504 C C . ARG A 1 62 ? 1.388 -6.612 -4.598 1.00 97.33 62 A 1 ATOM 505 O O . ARG A 1 62 ? 0.676 -6.440 -5.588 1.00 96.82 62 A 1 ATOM 506 C CB . ARG A 1 62 ? 3.780 -6.010 -4.728 1.00 96.34 62 A 1 ATOM 507 C CG . ARG A 1 62 ? 5.249 -6.388 -4.865 1.00 94.01 62 A 1 ATOM 508 C CD . ARG A 1 62 ? 5.810 -6.939 -3.565 1.00 91.98 62 A 1 ATOM 509 N NE . ARG A 1 62 ? 7.256 -7.171 -3.665 1.00 90.22 62 A 1 ATOM 510 C CZ . ARG A 1 62 ? 7.810 -8.207 -4.282 1.00 88.14 62 A 1 ATOM 511 N NH1 . ARG A 1 62 ? 7.055 -9.128 -4.849 1.00 81.27 62 A 1 ATOM 512 N NH2 . ARG A 1 62 ? 9.131 -8.316 -4.339 1.00 84.30 62 A 1 ATOM 513 N N . LEU A 1 63 ? 1.003 -6.320 -3.363 1.00 97.56 63 A 1 ATOM 514 C CA . LEU A 1 63 ? -0.280 -5.689 -3.090 1.00 97.90 63 A 1 ATOM 515 C C . LEU A 1 63 ? 0.043 -4.372 -2.398 1.00 98.12 63 A 1 ATOM 516 O O . LEU A 1 63 ? 0.730 -4.358 -1.377 1.00 98.03 63 A 1 ATOM 517 C CB . LEU A 1 63 ? -1.153 -6.544 -2.165 1.00 97.76 63 A 1 ATOM 518 C CG . LEU A 1 63 ? -2.397 -5.823 -1.614 1.00 97.26 63 A 1 ATOM 519 C CD1 . LEU A 1 63 ? -3.323 -5.421 -2.753 1.00 96.64 63 A 1 ATOM 520 C CD2 . LEU A 1 63 ? -3.134 -6.727 -0.628 1.00 96.36 63 A 1 ATOM 521 N N . ILE A 1 64 ? -0.436 -3.278 -2.975 1.00 98.29 64 A 1 ATOM 522 C CA . ILE A 1 64 ? -0.227 -1.957 -2.392 1.00 98.48 64 A 1 ATOM 523 C C . ILE A 1 64 ? -1.589 -1.389 -2.027 1.00 98.50 64 A 1 ATOM 524 O O . ILE A 1 64 ? -2.488 -1.330 -2.863 1.00 98.31 64 A 1 ATOM 525 C CB . ILE A 1 64 ? 0.464 -0.998 -3.387 1.00 98.47 64 A 1 ATOM 526 C CG1 . ILE A 1 64 ? 1.859 -1.521 -3.743 1.00 98.19 64 A 1 ATOM 527 C CG2 . ILE A 1 64 ? 0.555 0.405 -2.780 1.00 98.13 64 A 1 ATOM 528 C CD1 . ILE A 1 64 ? 2.578 -0.686 -4.792 1.00 97.76 64 A 1 ATOM 529 N N . VAL A 1 65 ? -1.739 -0.984 -0.778 1.00 98.46 65 A 1 ATOM 530 C CA . VAL A 1 65 ? -2.994 -0.409 -0.307 1.00 98.49 65 A 1 ATOM 531 C C . VAL A 1 65 ? -2.751 1.022 0.152 1.00 98.50 65 A 1 ATOM 532 O O . VAL A 1 65 ? -1.924 1.268 1.026 1.00 98.30 65 A 1 ATOM 533 C CB . VAL A 1 65 ? -3.571 -1.222 0.874 1.00 98.34 65 A 1 ATOM 534 C CG1 . VAL A 1 65 ? -4.852 -0.567 1.381 1.00 97.88 65 A 1 ATOM 535 C CG2 . VAL A 1 65 ? -3.848 -2.657 0.442 1.00 97.94 65 A 1 ATOM 536 N N . VAL A 1 66 ? -3.462 1.962 -0.454 1.00 98.52 66 A 1 ATOM 537 C CA . VAL A 1 66 ? -3.340 3.365 -0.069 1.00 98.58 66 A 1 ATOM 538 C C . VAL A 1 66 ? -4.291 3.533 1.113 1.00 98.45 66 A 1 ATOM 539 O O . VAL A 1 66 ? -5.476 3.840 0.944 1.00 98.12 66 A 1 ATOM 540 C CB . VAL A 1 66 ? -3.747 4.306 -1.224 1.00 98.58 66 A 1 ATOM 541 C CG1 . VAL A 1 66 ? -3.592 5.758 -0.791 1.00 98.26 66 A 1 ATOM 542 C CG2 . VAL A 1 66 ? -2.878 4.030 -2.445 1.00 98.36 66 A 1 ATOM 543 N N . LEU A 1 67 ? -3.762 3.300 2.294 1.00 98.04 67 A 1 ATOM 544 C CA . LEU A 1 67 ? -4.548 3.311 3.525 1.00 97.73 67 A 1 ATOM 545 C C . LEU A 1 67 ? -4.823 4.712 4.066 1.00 97.48 67 A 1 ATOM 546 O O . LEU A 1 67 ? -4.367 5.082 5.147 1.00 96.62 67 A 1 ATOM 547 C CB . LEU A 1 67 ? -3.825 2.467 4.582 1.00 97.22 67 A 1 ATOM 548 C CG . LEU A 1 67 ? -4.682 1.860 5.694 1.00 95.48 67 A 1 ATOM 549 C CD1 . LEU A 1 67 ? -5.633 0.824 5.094 1.00 93.72 67 A 1 ATOM 550 C CD2 . LEU A 1 67 ? -3.772 1.203 6.733 1.00 93.81 67 A 1 ATOM 551 N N . SER A 1 68 ? -5.589 5.472 3.314 1.00 97.74 68 A 1 ATOM 552 C CA . SER A 1 68 ? -5.950 6.829 3.708 1.00 97.71 68 A 1 ATOM 553 C C . SER A 1 68 ? -7.075 6.815 4.734 1.00 97.48 68 A 1 ATOM 554 O O . SER A 1 68 ? -7.657 5.769 5.025 1.00 97.24 68 A 1 ATOM 555 C CB . SER A 1 68 ? -6.419 7.606 2.476 1.00 97.67 68 A 1 ATOM 556 O OG . SER A 1 68 ? -7.620 7.047 1.965 1.00 97.20 68 A 1 ATOM 557 N N . GLN A 1 69 ? -7.387 7.987 5.269 1.00 96.65 69 A 1 ATOM 558 C CA . GLN A 1 69 ? -8.475 8.107 6.232 1.00 96.04 69 A 1 ATOM 559 C C . GLN A 1 69 ? -9.776 7.654 5.564 1.00 96.40 69 A 1 ATOM 560 O O . GLN A 1 69 ? -10.581 6.943 6.170 1.00 95.86 69 A 1 ATOM 561 C CB . GLN A 1 69 ? -8.603 9.559 6.701 1.00 94.44 69 A 1 ATOM 562 C CG . GLN A 1 69 ? -9.826 9.832 7.561 1.00 80.87 69 A 1 ATOM 563 C CD . GLN A 1 69 ? -9.896 11.269 8.034 1.00 72.42 69 A 1 ATOM 564 O OE1 . GLN A 1 69 ? -9.600 12.198 7.279 1.00 65.59 69 A 1 ATOM 565 N NE2 . GLN A 1 69 ? -10.289 11.463 9.285 1.00 61.45 69 A 1 ATOM 566 N N . SER A 1 70 ? -9.967 8.054 4.314 1.00 96.77 70 A 1 ATOM 567 C CA . SER A 1 70 ? -11.171 7.680 3.576 1.00 96.74 70 A 1 ATOM 568 C C . SER A 1 70 ? -11.230 6.175 3.326 1.00 97.12 70 A 1 ATOM 569 O O . SER A 1 70 ? -12.299 5.570 3.361 1.00 96.72 70 A 1 ATOM 570 C CB . SER A 1 70 ? -11.233 8.425 2.241 1.00 96.16 70 A 1 ATOM 571 O OG . SER A 1 70 ? -11.392 9.821 2.450 1.00 86.43 70 A 1 ATOM 572 N N . TYR A 1 71 ? -10.073 5.576 3.073 1.00 97.26 71 A 1 ATOM 573 C CA . TYR A 1 71 ? -10.013 4.135 2.837 1.00 97.67 71 A 1 ATOM 574 C C . TYR A 1 71 ? -10.475 3.409 4.097 1.00 97.42 71 A 1 ATOM 575 O O . TYR A 1 71 ? -11.217 2.428 4.027 1.00 96.79 71 A 1 ATOM 576 C CB . TYR A 1 71 ? -8.584 3.721 2.479 1.00 97.78 71 A 1 ATOM 577 C CG . TYR A 1 71 ? -8.468 2.309 1.934 1.00 98.15 71 A 1 ATOM 578 C CD1 . TYR A 1 71 ? -8.498 1.200 2.774 1.00 97.73 71 A 1 ATOM 579 C CD2 . TYR A 1 71 ? -8.336 2.092 0.560 1.00 97.66 71 A 1 ATOM 580 C CE1 . TYR A 1 71 ? -8.410 -0.092 2.265 1.00 97.38 71 A 1 ATOM 581 C CE2 . TYR A 1 71 ? -8.242 0.806 0.041 1.00 97.33 71 A 1 ATOM 582 C CZ . TYR A 1 71 ? -8.283 -0.283 0.897 1.00 97.69 71 A 1 ATOM 583 O OH . TYR A 1 71 ? -8.192 -1.561 0.387 1.00 97.21 71 A 1 ATOM 584 N N . LEU A 1 72 ? -10.040 3.912 5.242 1.00 97.19 72 A 1 ATOM 585 C CA . LEU A 1 72 ? -10.387 3.312 6.526 1.00 96.81 72 A 1 ATOM 586 C C . LEU A 1 72 ? -11.841 3.538 6.934 1.00 96.40 72 A 1 ATOM 587 O O . LEU A 1 72 ? -12.290 2.999 7.946 1.00 95.53 72 A 1 ATOM 588 C CB . LEU A 1 72 ? -9.446 3.842 7.614 1.00 96.43 72 A 1 ATOM 589 C CG . LEU A 1 72 ? -7.989 3.389 7.486 1.00 95.56 72 A 1 ATOM 590 C CD1 . LEU A 1 72 ? -7.116 4.110 8.500 1.00 94.82 72 A 1 ATOM 591 C CD2 . LEU A 1 72 ? -7.908 1.878 7.690 1.00 94.76 72 A 1 ATOM 592 N N . GLU A 1 73 ? -12.567 4.313 6.149 1.00 96.52 73 A 1 ATOM 593 C CA . GLU A 1 73 ? -13.976 4.569 6.440 1.00 95.91 73 A 1 ATOM 594 C C . GLU A 1 73 ? -14.866 3.491 5.822 1.00 95.85 73 A 1 ATOM 595 O O . GLU A 1 73 ? -16.069 3.453 6.058 1.00 94.74 73 A 1 ATOM 596 C CB . GLU A 1 73 ? -14.393 5.953 5.910 1.00 95.06 73 A 1 ATOM 597 C CG . GLU A 1 73 ? -13.713 7.107 6.629 1.00 91.55 73 A 1 ATOM 598 C CD . GLU A 1 73 ? -14.121 8.465 6.073 1.00 86.55 73 A 1 ATOM 599 O OE1 . GLU A 1 73 ? -14.699 8.512 4.967 1.00 80.53 73 A 1 ATOM 600 O OE2 . GLU A 1 73 ? -13.850 9.483 6.741 1.00 80.62 73 A 1 ATOM 601 N N . GLN A 1 74 ? -14.263 2.604 5.030 1.00 96.13 74 A 1 ATOM 602 C CA . GLN A 1 74 ? -15.028 1.521 4.423 1.00 95.87 74 A 1 ATOM 603 C C . GLN A 1 74 ? -15.562 0.633 5.543 1.00 95.83 74 A 1 ATOM 604 O O . GLN A 1 74 ? -14.918 0.465 6.578 1.00 95.23 74 A 1 ATOM 605 C CB . GLN A 1 74 ? -14.149 0.699 3.476 1.00 95.37 74 A 1 ATOM 606 C CG . GLN A 1 74 ? -13.673 1.464 2.250 1.00 94.24 74 A 1 ATOM 607 C CD . GLN A 1 74 ? -12.836 0.613 1.317 1.00 94.93 74 A 1 ATOM 608 O OE1 . GLN A 1 74 ? -13.300 0.200 0.251 1.00 88.50 74 A 1 ATOM 609 N NE2 . GLN A 1 74 ? -11.604 0.336 1.717 1.00 87.78 74 A 1 ATOM 610 N N . GLU A 1 75 ? -16.740 0.065 5.326 1.00 95.54 75 A 1 ATOM 611 C CA . GLU A 1 75 ? -17.386 -0.763 6.341 1.00 95.15 75 A 1 ATOM 612 C C . GLU A 1 75 ? -16.500 -1.856 6.936 1.00 95.19 75 A 1 ATOM 613 O O . GLU A 1 75 ? -16.463 -2.042 8.152 1.00 93.95 75 A 1 ATOM 614 C CB . GLU A 1 75 ? -18.667 -1.389 5.779 1.00 94.08 75 A 1 ATOM 615 C CG . GLU A 1 75 ? -19.430 -2.239 6.786 1.00 82.97 75 A 1 ATOM 616 C CD . GLU A 1 75 ? -20.735 -2.778 6.221 1.00 74.84 75 A 1 ATOM 617 O OE1 . GLU A 1 75 ? -20.707 -3.388 5.132 1.00 68.70 75 A 1 ATOM 618 O OE2 . GLU A 1 75 ? -21.783 -2.586 6.871 1.00 67.80 75 A 1 ATOM 619 N N . TRP A 1 76 ? -15.785 -2.596 6.089 1.00 95.33 76 A 1 ATOM 620 C CA . TRP A 1 76 ? -14.956 -3.675 6.607 1.00 95.54 76 A 1 ATOM 621 C C . TRP A 1 76 ? -13.832 -3.157 7.500 1.00 95.92 76 A 1 ATOM 622 O O . TRP A 1 76 ? -13.391 -3.851 8.416 1.00 95.05 76 A 1 ATOM 623 C CB . TRP A 1 76 ? -14.382 -4.537 5.474 1.00 94.94 76 A 1 ATOM 624 C CG . TRP A 1 76 ? -13.252 -3.940 4.680 1.00 95.53 76 A 1 ATOM 625 C CD1 . TRP A 1 76 ? -13.344 -3.256 3.504 1.00 93.90 76 A 1 ATOM 626 C CD2 . TRP A 1 76 ? -11.848 -4.030 4.981 1.00 96.28 76 A 1 ATOM 627 N NE1 . TRP A 1 76 ? -12.091 -2.906 3.053 1.00 93.47 76 A 1 ATOM 628 C CE2 . TRP A 1 76 ? -11.153 -3.367 3.940 1.00 95.63 76 A 1 ATOM 629 C CE3 . TRP A 1 76 ? -11.111 -4.607 6.024 1.00 94.84 76 A 1 ATOM 630 C CZ2 . TRP A 1 76 ? -9.757 -3.265 3.915 1.00 94.80 76 A 1 ATOM 631 C CZ3 . TRP A 1 76 ? -9.723 -4.498 6.001 1.00 94.49 76 A 1 ATOM 632 C CH2 . TRP A 1 76 ? -9.061 -3.834 4.955 1.00 94.56 76 A 1 ATOM 633 N N . CYS A 1 77 ? -13.395 -1.945 7.249 1.00 96.03 77 A 1 ATOM 634 C CA . CYS A 1 77 ? -12.333 -1.348 8.055 1.00 95.79 77 A 1 ATOM 635 C C . CYS A 1 77 ? -12.850 -0.876 9.411 1.00 95.29 77 A 1 ATOM 636 O O . CYS A 1 77 ? -12.159 -0.992 10.419 1.00 94.65 77 A 1 ATOM 637 C CB . CYS A 1 77 ? -11.699 -0.167 7.313 1.00 95.89 77 A 1 ATOM 638 S SG . CYS A 1 77 ? -10.731 -0.628 5.855 1.00 95.44 77 A 1 ATOM 639 N N . THR A 1 78 ? -14.054 -0.348 9.435 1.00 95.61 78 A 1 ATOM 640 C CA . THR A 1 78 ? -14.628 0.165 10.674 1.00 94.76 78 A 1 ATOM 641 C C . THR A 1 78 ? -15.235 -0.914 11.567 1.00 94.27 78 A 1 ATOM 642 O O . THR A 1 78 ? -15.361 -0.717 12.773 1.00 92.37 78 A 1 ATOM 643 C CB . THR A 1 78 ? -15.719 1.220 10.389 1.00 94.10 78 A 1 ATOM 644 O OG1 . THR A 1 78 ? -16.789 0.620 9.648 1.00 90.56 78 A 1 ATOM 645 C CG2 . THR A 1 78 ? -15.144 2.383 9.593 1.00 90.00 78 A 1 ATOM 646 N N . THR A 1 79 ? -15.607 -2.049 10.985 1.00 95.25 79 A 1 ATOM 647 C CA . THR A 1 79 ? -16.244 -3.109 11.764 1.00 94.13 79 A 1 ATOM 648 C C . THR A 1 79 ? -15.501 -4.444 11.821 1.00 93.83 79 A 1 ATOM 649 O O . THR A 1 79 ? -15.679 -5.207 12.771 1.00 91.33 79 A 1 ATOM 650 C CB . THR A 1 79 ? -17.666 -3.393 11.244 1.00 92.75 79 A 1 ATOM 651 O OG1 . THR A 1 79 ? -17.592 -3.903 9.902 1.00 87.96 79 A 1 ATOM 652 C CG2 . THR A 1 79 ? -18.505 -2.121 11.250 1.00 85.52 79 A 1 ATOM 653 N N . ASN A 1 80 ? -14.688 -4.731 10.819 1.00 94.94 80 A 1 ATOM 654 C CA . ASN A 1 80 ? -13.972 -6.006 10.774 1.00 94.94 80 A 1 ATOM 655 C C . ASN A 1 80 ? -12.542 -5.887 10.247 1.00 95.92 80 A 1 ATOM 656 O O . ASN A 1 80 ? -12.082 -6.731 9.475 1.00 94.82 80 A 1 ATOM 657 C CB . ASN A 1 80 ? -14.746 -6.997 9.894 1.00 91.86 80 A 1 ATOM 658 C CG . ASN A 1 80 ? -16.119 -7.321 10.437 1.00 83.23 80 A 1 ATOM 659 O OD1 . ASN A 1 80 ? -16.258 -8.063 11.409 1.00 74.95 80 A 1 ATOM 660 N ND2 . ASN A 1 80 ? -17.145 -6.771 9.805 1.00 73.73 80 A 1 ATOM 661 N N . PHE A 1 81 ? -11.839 -4.848 10.667 1.00 95.89 81 A 1 ATOM 662 C CA . PHE A 1 81 ? -10.479 -4.623 10.184 1.00 96.41 81 A 1 ATOM 663 C C . PHE A 1 81 ? -9.546 -5.802 10.446 1.00 96.59 81 A 1 ATOM 664 O O . PHE A 1 81 ? -8.751 -6.167 9.585 1.00 96.52 81 A 1 ATOM 665 C CB . PHE A 1 81 ? -9.880 -3.364 10.810 1.00 96.25 81 A 1 ATOM 666 C CG . PHE A 1 81 ? -8.557 -2.972 10.206 1.00 96.53 81 A 1 ATOM 667 C CD1 . PHE A 1 81 ? -8.502 -2.395 8.942 1.00 96.05 81 A 1 ATOM 668 C CD2 . PHE A 1 81 ? -7.367 -3.206 10.887 1.00 95.94 81 A 1 ATOM 669 C CE1 . PHE A 1 81 ? -7.283 -2.055 8.365 1.00 95.34 81 A 1 ATOM 670 C CE2 . PHE A 1 81 ? -6.143 -2.869 10.315 1.00 95.22 81 A 1 ATOM 671 C CZ . PHE A 1 81 ? -6.103 -2.293 9.052 1.00 95.60 81 A 1 ATOM 672 N N . ARG A 1 82 ? -9.651 -6.389 11.632 1.00 96.02 82 A 1 ATOM 673 C CA . ARG A 1 82 ? -8.797 -7.524 11.978 1.00 95.93 82 A 1 ATOM 674 C C . ARG A 1 82 ? -8.950 -8.667 10.976 1.00 96.14 82 A 1 ATOM 675 O O . ARG A 1 82 ? -7.960 -9.232 10.510 1.00 96.02 82 A 1 ATOM 676 C CB . ARG A 1 82 ? -9.122 -8.022 13.390 1.00 95.00 82 A 1 ATOM 677 C CG . ARG A 1 82 ? -8.188 -9.120 13.884 1.00 87.79 82 A 1 ATOM 678 C CD . ARG A 1 82 ? -8.575 -9.577 15.283 1.00 83.01 82 A 1 ATOM 679 N NE . ARG A 1 82 ? -8.461 -8.505 16.272 1.00 72.07 82 A 1 ATOM 680 C CZ . ARG A 1 82 ? -7.316 -8.058 16.769 1.00 64.61 82 A 1 ATOM 681 N NH1 . ARG A 1 82 ? -6.167 -8.589 16.386 1.00 58.10 82 A 1 ATOM 682 N NH2 . ARG A 1 82 ? -7.318 -7.074 17.660 1.00 55.57 82 A 1 ATOM 683 N N . GLN A 1 83 ? -10.202 -8.990 10.648 1.00 96.40 83 A 1 ATOM 684 C CA . GLN A 1 83 ? -10.479 -10.063 9.699 1.00 96.54 83 A 1 ATOM 685 C C . GLN A 1 83 ? -9.973 -9.703 8.305 1.00 96.91 83 A 1 ATOM 686 O O . GLN A 1 83 ? -9.358 -10.526 7.623 1.00 96.92 83 A 1 ATOM 687 C CB . GLN A 1 83 ? -11.985 -10.340 9.640 1.00 95.83 83 A 1 ATOM 688 C CG . GLN A 1 83 ? -12.359 -11.551 8.791 1.00 86.99 83 A 1 ATOM 689 C CD . GLN A 1 83 ? -13.862 -11.781 8.734 1.00 80.00 83 A 1 ATOM 690 O OE1 . GLN A 1 83 ? -14.591 -11.434 9.660 1.00 73.26 83 A 1 ATOM 691 N NE2 . GLN A 1 83 ? -14.333 -12.378 7.647 1.00 68.18 83 A 1 ATOM 692 N N . GLY A 1 84 ? -10.239 -8.475 7.890 1.00 97.36 84 A 1 ATOM 693 C CA . GLY A 1 84 ? -9.801 -8.027 6.577 1.00 97.34 84 A 1 ATOM 694 C C . GLY A 1 84 ? -8.288 -8.032 6.443 1.00 97.50 84 A 1 ATOM 695 O O . GLY A 1 84 ? -7.748 -8.485 5.432 1.00 97.34 84 A 1 ATOM 696 N N . LEU A 1 85 ? -7.606 -7.546 7.464 1.00 97.32 85 A 1 ATOM 697 C CA . LEU A 1 85 ? -6.145 -7.503 7.450 1.00 97.28 85 A 1 ATOM 698 C C . LEU A 1 85 ? -5.582 -8.918 7.357 1.00 97.24 85 A 1 ATOM 699 O O . LEU A 1 85 ? -4.620 -9.169 6.632 1.00 97.14 85 A 1 ATOM 700 C CB . LEU A 1 85 ? -5.626 -6.815 8.715 1.00 97.05 85 A 1 ATOM 701 C CG . LEU A 1 85 ? -4.101 -6.718 8.858 1.00 96.37 85 A 1 ATOM 702 C CD1 . LEU A 1 85 ? -3.515 -5.965 7.674 1.00 95.67 85 A 1 ATOM 703 C CD2 . LEU A 1 85 ? -3.760 -6.007 10.162 1.00 95.51 85 A 1 ATOM 704 N N . TRP A 1 86 ? -6.197 -9.839 8.096 1.00 96.90 86 A 1 ATOM 705 C CA . TRP A 1 86 ? -5.769 -11.233 8.080 1.00 96.57 86 A 1 ATOM 706 C C . TRP A 1 86 ? -5.856 -11.800 6.662 1.00 96.80 86 A 1 ATOM 707 O O . TRP A 1 86 ? -4.942 -12.486 6.200 1.00 96.42 86 A 1 ATOM 708 C CB . TRP A 1 86 ? -6.644 -12.069 9.019 1.00 95.53 86 A 1 ATOM 709 C CG . TRP A 1 86 ? -6.276 -13.520 9.049 1.00 84.42 86 A 1 ATOM 710 C CD1 . TRP A 1 86 ? -5.268 -14.093 9.771 1.00 71.58 86 A 1 ATOM 711 C CD2 . TRP A 1 86 ? -6.892 -14.588 8.307 1.00 77.31 86 A 1 ATOM 712 N NE1 . TRP A 1 86 ? -5.217 -15.452 9.531 1.00 64.51 86 A 1 ATOM 713 C CE2 . TRP A 1 86 ? -6.204 -15.780 8.631 1.00 72.32 86 A 1 ATOM 714 C CE3 . TRP A 1 86 ? -7.963 -14.646 7.403 1.00 61.82 86 A 1 ATOM 715 C CZ2 . TRP A 1 86 ? -6.554 -17.014 8.077 1.00 62.63 86 A 1 ATOM 716 C CZ3 . TRP A 1 86 ? -8.302 -15.879 6.852 1.00 56.57 86 A 1 ATOM 717 C CH2 . TRP A 1 86 ? -7.602 -17.043 7.192 1.00 58.32 86 A 1 ATOM 718 N N . HIS A 1 87 ? -6.961 -11.502 5.981 1.00 97.26 87 A 1 ATOM 719 C CA . HIS A 1 87 ? -7.144 -11.977 4.610 1.00 97.35 87 A 1 ATOM 720 C C . HIS A 1 87 ? -6.071 -11.418 3.677 1.00 97.38 87 A 1 ATOM 721 O O . HIS A 1 87 ? -5.518 -12.144 2.851 1.00 97.11 87 A 1 ATOM 722 C CB . HIS A 1 87 ? -8.530 -11.584 4.083 1.00 97.36 87 A 1 ATOM 723 C CG . HIS A 1 87 ? -9.644 -12.460 4.574 1.00 96.65 87 A 1 ATOM 724 N ND1 . HIS A 1 87 ? -9.651 -13.823 4.393 1.00 87.65 87 A 1 ATOM 725 C CD2 . HIS A 1 87 ? -10.793 -12.163 5.214 1.00 88.42 87 A 1 ATOM 726 C CE1 . HIS A 1 87 ? -10.755 -14.332 4.908 1.00 91.30 87 A 1 ATOM 727 N NE2 . HIS A 1 87 ? -11.472 -13.345 5.414 1.00 92.18 87 A 1 ATOM 728 N N . LEU A 1 88 ? -5.786 -10.133 3.801 1.00 97.64 88 A 1 ATOM 729 C CA . LEU A 1 88 ? -4.788 -9.504 2.940 1.00 97.61 88 A 1 ATOM 730 C C . LEU A 1 88 ? -3.406 -10.116 3.155 1.00 97.33 88 A 1 ATOM 731 O O . LEU A 1 88 ? -2.665 -10.339 2.199 1.00 96.83 88 A 1 ATOM 732 C CB . LEU A 1 88 ? -4.740 -7.993 3.182 1.00 97.66 88 A 1 ATOM 733 C CG . LEU A 1 88 ? -6.014 -7.220 2.818 1.00 97.35 88 A 1 ATOM 734 C CD1 . LEU A 1 88 ? -5.795 -5.734 3.050 1.00 97.10 88 A 1 ATOM 735 C CD2 . LEU A 1 88 ? -6.391 -7.485 1.363 1.00 96.95 88 A 1 ATOM 736 N N . ILE A 1 89 ? -3.075 -10.390 4.407 1.00 97.52 89 A 1 ATOM 737 C CA . ILE A 1 89 ? -1.784 -10.989 4.722 1.00 97.22 89 A 1 ATOM 738 C C . ILE A 1 89 ? -1.708 -12.412 4.168 1.00 96.61 89 A 1 ATOM 739 O O . ILE A 1 89 ? -0.675 -12.830 3.648 1.00 95.73 89 A 1 ATOM 740 C CB . ILE A 1 89 ? -1.539 -11.001 6.247 1.00 97.25 89 A 1 ATOM 741 C CG1 . ILE A 1 89 ? -1.373 -9.563 6.745 1.00 96.69 89 A 1 ATOM 742 C CG2 . ILE A 1 89 ? -0.306 -11.834 6.584 1.00 96.53 89 A 1 ATOM 743 C CD1 . ILE A 1 89 ? -1.245 -9.435 8.251 1.00 95.46 89 A 1 ATOM 744 N N . GLU A 1 90 ? -2.802 -13.145 4.281 1.00 96.88 90 A 1 ATOM 745 C CA . GLU A 1 90 ? -2.850 -14.514 3.772 1.00 96.17 90 A 1 ATOM 746 C C . GLU A 1 90 ? -2.731 -14.559 2.249 1.00 95.87 90 A 1 ATOM 747 O O . GLU A 1 90 ? -2.057 -15.429 1.694 1.00 94.55 90 A 1 ATOM 748 C CB . GLU A 1 90 ? -4.158 -15.195 4.196 1.00 94.91 90 A 1 ATOM 749 C CG . GLU A 1 90 ? -4.222 -15.581 5.662 1.00 78.89 90 A 1 ATOM 750 C CD . GLU A 1 90 ? -3.230 -16.675 6.012 1.00 73.78 90 A 1 ATOM 751 O OE1 . GLU A 1 90 ? -3.168 -17.684 5.280 1.00 67.81 90 A 1 ATOM 752 O OE2 . GLU A 1 90 ? -2.517 -16.523 7.025 1.00 67.64 90 A 1 ATOM 753 N N . LEU A 1 91 ? -3.388 -13.620 1.576 1.00 96.43 91 A 1 ATOM 754 C CA . LEU A 1 91 ? -3.385 -13.584 0.115 1.00 95.76 91 A 1 ATOM 755 C C . LEU A 1 91 ? -2.113 -13.010 -0.506 1.00 94.78 91 A 1 ATOM 756 O O . LEU A 1 91 ? -1.620 -13.536 -1.502 1.00 92.80 91 A 1 ATOM 757 C CB . LEU A 1 91 ? -4.596 -12.788 -0.387 1.00 95.69 91 A 1 ATOM 758 C CG . LEU A 1 91 ? -5.971 -13.397 -0.104 1.00 95.08 91 A 1 ATOM 759 C CD1 . LEU A 1 91 ? -7.060 -12.402 -0.477 1.00 93.84 91 A 1 ATOM 760 C CD2 . LEU A 1 91 ? -6.136 -14.689 -0.891 1.00 93.52 91 A 1 ATOM 761 N N . SER A 1 92 ? -1.591 -11.935 0.078 1.00 95.25 92 A 1 ATOM 762 C CA . SER A 1 92 ? -0.400 -11.282 -0.461 1.00 93.62 92 A 1 ATOM 763 C C . SER A 1 92 ? 0.883 -11.619 0.293 1.00 92.03 92 A 1 ATOM 764 O O . SER A 1 92 ? 1.979 -11.353 -0.198 1.00 86.63 92 A 1 ATOM 765 C CB . SER A 1 92 ? -0.598 -9.766 -0.464 1.00 91.48 92 A 1 ATOM 766 O OG . SER A 1 92 ? -0.706 -9.282 0.857 1.00 80.10 92 A 1 ATOM 767 N N . ARG A 1 93 ? 0.736 -12.210 1.467 1.00 87.57 93 A 1 ATOM 768 C CA . ARG A 1 93 ? 1.845 -12.620 2.333 1.00 86.79 93 A 1 ATOM 769 C C . ARG A 1 93 ? 2.577 -11.456 3.004 1.00 87.60 93 A 1 ATOM 770 O O . ARG A 1 93 ? 2.985 -11.563 4.151 1.00 81.62 93 A 1 ATOM 771 C CB . ARG A 1 93 ? 2.826 -13.501 1.553 1.00 81.30 93 A 1 ATOM 772 C CG . ARG A 1 93 ? 2.157 -14.768 1.018 1.00 71.98 93 A 1 ATOM 773 C CD . ARG A 1 93 ? 3.144 -15.725 0.376 1.00 69.59 93 A 1 ATOM 774 N NE . ARG A 1 93 ? 2.472 -16.921 -0.113 1.00 60.91 93 A 1 ATOM 775 C CZ . ARG A 1 93 ? 3.083 -17.948 -0.702 1.00 54.98 93 A 1 ATOM 776 N NH1 . ARG A 1 93 ? 4.392 -17.934 -0.881 1.00 50.74 93 A 1 ATOM 777 N NH2 . ARG A 1 93 ? 2.380 -18.987 -1.113 1.00 46.68 93 A 1 ATOM 778 N N . LYS A 1 94 ? 2.747 -10.354 2.302 1.00 93.34 94 A 1 ATOM 779 C CA . LYS A 1 94 ? 3.356 -9.165 2.902 1.00 95.13 94 A 1 ATOM 780 C C . LYS A 1 94 ? 2.905 -7.916 2.148 1.00 96.45 94 A 1 ATOM 781 O O . LYS A 1 94 ? 3.663 -7.332 1.370 1.00 95.86 94 A 1 ATOM 782 C CB . LYS A 1 94 ? 4.881 -9.265 2.902 1.00 93.24 94 A 1 ATOM 783 C CG . LYS A 1 94 ? 5.531 -8.206 3.785 1.00 89.46 94 A 1 ATOM 784 C CD . LYS A 1 94 ? 7.000 -8.472 4.047 1.00 87.79 94 A 1 ATOM 785 C CE . LYS A 1 94 ? 7.561 -7.463 5.033 1.00 83.38 94 A 1 ATOM 786 N NZ . LYS A 1 94 ? 8.987 -7.726 5.374 1.00 75.22 94 A 1 ATOM 787 N N . PRO A 1 95 ? 1.651 -7.506 2.380 1.00 97.54 95 A 1 ATOM 788 C CA . PRO A 1 95 ? 1.094 -6.327 1.710 1.00 97.81 95 A 1 ATOM 789 C C . PRO A 1 95 ? 1.811 -5.035 2.080 1.00 98.08 95 A 1 ATOM 790 O O . PRO A 1 95 ? 2.375 -4.908 3.173 1.00 97.81 95 A 1 ATOM 791 C CB . PRO A 1 95 ? -0.364 -6.333 2.171 1.00 97.25 95 A 1 ATOM 792 C CG . PRO A 1 95 ? -0.292 -6.955 3.528 1.00 95.01 95 A 1 ATOM 793 C CD . PRO A 1 95 ? 0.676 -8.091 3.316 1.00 97.28 95 A 1 ATOM 794 N N . ILE A 1 96 ? 1.784 -4.092 1.149 1.00 98.31 96 A 1 ATOM 795 C CA . ILE A 1 96 ? 2.415 -2.794 1.343 1.00 98.40 96 A 1 ATOM 796 C C . ILE A 1 96 ? 1.319 -1.772 1.634 1.00 98.44 96 A 1 ATOM 797 O O . ILE A 1 96 ? 0.385 -1.621 0.852 1.00 98.30 96 A 1 ATOM 798 C CB . ILE A 1 96 ? 3.178 -2.366 0.072 1.00 98.34 96 A 1 ATOM 799 C CG1 . ILE A 1 96 ? 4.254 -3.402 -0.267 1.00 97.89 96 A 1 ATOM 800 C CG2 . ILE A 1 96 ? 3.798 -0.984 0.270 1.00 97.92 96 A 1 ATOM 801 C CD1 . ILE A 1 96 ? 4.862 -3.219 -1.649 1.00 97.01 96 A 1 ATOM 802 N N . PHE A 1 97 ? 1.435 -1.087 2.761 1.00 98.20 97 A 1 ATOM 803 C CA . PHE A 1 97 ? 0.450 -0.084 3.147 1.00 98.19 97 A 1 ATOM 804 C C . PHE A 1 97 ? 1.065 1.305 3.109 1.00 98.06 97 A 1 ATOM 805 O O . PHE A 1 97 ? 2.078 1.565 3.755 1.00 97.61 97 A 1 ATOM 806 C CB . PHE A 1 97 ? -0.073 -0.373 4.554 1.00 98.03 97 A 1 ATOM 807 C CG . PHE A 1 97 ? -0.925 -1.611 4.648 1.00 97.93 97 A 1 ATOM 808 C CD1 . PHE A 1 97 ? -2.236 -1.604 4.189 1.00 96.87 97 A 1 ATOM 809 C CD2 . PHE A 1 97 ? -0.414 -2.786 5.195 1.00 96.71 97 A 1 ATOM 810 C CE1 . PHE A 1 97 ? -3.029 -2.747 4.271 1.00 95.92 97 A 1 ATOM 811 C CE2 . PHE A 1 97 ? -1.199 -3.930 5.278 1.00 95.80 97 A 1 ATOM 812 C CZ . PHE A 1 97 ? -2.510 -3.910 4.816 1.00 96.40 97 A 1 ATOM 813 N N . ILE A 1 98 ? 0.443 2.191 2.344 1.00 98.26 98 A 1 ATOM 814 C CA . ILE A 1 98 ? 0.905 3.568 2.250 1.00 98.34 98 A 1 ATOM 815 C C . ILE A 1 98 ? -0.022 4.417 3.111 1.00 98.15 98 A 1 ATOM 816 O O . ILE A 1 98 ? -1.238 4.397 2.926 1.00 97.89 98 A 1 ATOM 817 C CB . ILE A 1 98 ? 0.862 4.082 0.795 1.00 98.48 98 A 1 ATOM 818 C CG1 . ILE A 1 98 ? 1.859 3.298 -0.061 1.00 98.24 98 A 1 ATOM 819 C CG2 . ILE A 1 98 ? 1.176 5.578 0.762 1.00 98.34 98 A 1 ATOM 820 C CD1 . ILE A 1 98 ? 1.840 3.678 -1.534 1.00 97.93 98 A 1 ATOM 821 N N . ILE A 1 99 ? 0.560 5.148 4.046 1.00 97.55 99 A 1 ATOM 822 C CA . ILE A 1 99 ? -0.220 5.997 4.938 1.00 97.34 99 A 1 ATOM 823 C C . ILE A 1 99 ? 0.231 7.446 4.795 1.00 97.62 99 A 1 ATOM 824 O O . ILE A 1 99 ? 1.421 7.725 4.689 1.00 97.39 99 A 1 ATOM 825 C CB . ILE A 1 99 ? -0.055 5.559 6.411 1.00 96.23 99 A 1 ATOM 826 C CG1 . ILE A 1 99 ? -0.676 4.177 6.609 1.00 87.13 99 A 1 ATOM 827 C CG2 . ILE A 1 99 ? -0.702 6.577 7.349 1.00 82.98 99 A 1 ATOM 828 C CD1 . ILE A 1 99 ? -0.589 3.658 8.025 1.00 77.76 99 A 1 ATOM 829 N N . PHE A 1 100 ? -0.727 8.364 4.783 1.00 97.54 100 A 1 ATOM 830 C CA . PHE A 1 100 ? -0.417 9.784 4.682 1.00 97.51 100 A 1 ATOM 831 C C . PHE A 1 100 ? -0.066 10.298 6.074 1.00 96.95 100 A 1 ATOM 832 O O . PHE A 1 100 ? -0.854 10.163 7.007 1.00 96.00 100 A 1 ATOM 833 C CB . PHE A 1 100 ? -1.618 10.545 4.121 1.00 97.50 100 A 1 ATOM 834 C CG . PHE A 1 100 ? -1.946 10.183 2.695 1.00 97.80 100 A 1 ATOM 835 C CD1 . PHE A 1 100 ? -1.040 10.449 1.673 1.00 96.99 100 A 1 ATOM 836 C CD2 . PHE A 1 100 ? -3.153 9.570 2.376 1.00 96.94 100 A 1 ATOM 837 C CE1 . PHE A 1 100 ? -1.335 10.109 0.354 1.00 96.58 100 A 1 ATOM 838 C CE2 . PHE A 1 100 ? -3.452 9.229 1.060 1.00 96.60 100 A 1 ATOM 839 C CZ . PHE A 1 100 ? -2.540 9.499 0.049 1.00 96.93 100 A 1 ATOM 840 N N . GLN A 1 101 ? 1.113 10.881 6.198 1.00 96.56 101 A 1 ATOM 841 C CA . GLN A 1 101 ? 1.584 11.397 7.482 1.00 96.02 101 A 1 ATOM 842 C C . GLN A 1 101 ? 0.590 12.367 8.113 1.00 95.42 101 A 1 ATOM 843 O O . GLN A 1 101 ? 0.379 12.354 9.326 1.00 94.47 101 A 1 ATOM 844 C CB . GLN A 1 101 ? 2.941 12.085 7.296 1.00 95.33 101 A 1 ATOM 845 C CG . GLN A 1 101 ? 3.548 12.634 8.573 1.00 88.76 101 A 1 ATOM 846 C CD . GLN A 1 101 ? 4.946 13.175 8.356 1.00 84.65 101 A 1 ATOM 847 O OE1 . GLN A 1 101 ? 5.185 13.963 7.440 1.00 76.81 101 A 1 ATOM 848 N NE2 . GLN A 1 101 ? 5.881 12.752 9.197 1.00 74.17 101 A 1 ATOM 849 N N . SER A 1 102 ? -0.030 13.197 7.287 1.00 95.42 102 A 1 ATOM 850 C CA . SER A 1 102 ? -0.997 14.179 7.770 1.00 94.81 102 A 1 ATOM 851 C C . SER A 1 102 ? -2.271 13.553 8.336 1.00 94.74 102 A 1 ATOM 852 O O . SER A 1 102 ? -3.048 14.228 9.010 1.00 93.32 102 A 1 ATOM 853 C CB . SER A 1 102 ? -1.371 15.144 6.639 1.00 94.20 102 A 1 ATOM 854 O OG . SER A 1 102 ? -1.993 14.454 5.572 1.00 90.87 102 A 1 ATOM 855 N N . GLN A 1 103 ? -2.469 12.271 8.061 1.00 94.70 103 A 1 ATOM 856 C CA . GLN A 1 103 ? -3.672 11.583 8.524 1.00 93.91 103 A 1 ATOM 857 C C . GLN A 1 103 ? -3.405 10.513 9.580 1.00 93.36 103 A 1 ATOM 858 O O . GLN A 1 103 ? -4.339 9.902 10.100 1.00 91.46 103 A 1 ATOM 859 C CB . GLN A 1 103 ? -4.394 10.935 7.331 1.00 92.64 103 A 1 ATOM 860 C CG . GLN A 1 103 ? -4.775 11.903 6.228 1.00 91.47 103 A 1 ATOM 861 C CD . GLN A 1 103 ? -5.430 11.211 5.049 1.00 92.46 103 A 1 ATOM 862 O OE1 . GLN A 1 103 ? -5.538 9.990 5.005 1.00 88.65 103 A 1 ATOM 863 N NE2 . GLN A 1 103 ? -5.872 12.002 4.068 1.00 88.75 103 A 1 ATOM 864 N N . GLN A 1 104 ? -2.140 10.281 9.897 1.00 91.14 104 A 1 ATOM 865 C CA . GLN A 1 104 ? -1.782 9.248 10.867 1.00 89.53 104 A 1 ATOM 866 C C . GLN A 1 104 ? -2.494 9.379 12.212 1.00 89.61 104 A 1 ATOM 867 O O . GLN A 1 104 ? -2.966 8.390 12.767 1.00 87.88 104 A 1 ATOM 868 C CB . GLN A 1 104 ? -0.267 9.230 11.103 1.00 86.19 104 A 1 ATOM 869 C CG . GLN A 1 104 ? 0.521 8.566 9.993 1.00 77.84 104 A 1 ATOM 870 C CD . GLN A 1 104 ? 1.983 8.389 10.339 1.00 74.81 104 A 1 ATOM 871 O OE1 . GLN A 1 104 ? 2.410 8.629 11.469 1.00 68.40 104 A 1 ATOM 872 N NE2 . GLN A 1 104 ? 2.774 7.946 9.367 1.00 65.10 104 A 1 ATOM 873 N N . LYS A 1 105 ? -2.572 10.589 12.738 1.00 91.22 105 A 1 ATOM 874 C CA . LYS A 1 105 ? -3.211 10.815 14.028 1.00 91.43 105 A 1 ATOM 875 C C . LYS A 1 105 ? -4.717 10.571 14.002 1.00 92.06 105 A 1 ATOM 876 O O . LYS A 1 105 ? -5.347 10.463 15.049 1.00 89.86 105 A 1 ATOM 877 C CB . LYS A 1 105 ? -2.936 12.245 14.505 1.00 90.06 105 A 1 ATOM 878 C CG . LYS A 1 105 ? -3.516 13.324 13.603 1.00 82.05 105 A 1 ATOM 879 C CD . LYS A 1 105 ? -3.191 14.715 14.132 1.00 75.41 105 A 1 ATOM 880 C CE . LYS A 1 105 ? -3.775 15.799 13.242 1.00 65.29 105 A 1 ATOM 881 N NZ . LYS A 1 105 ? -3.452 17.162 13.747 1.00 56.19 105 A 1 ATOM 882 N N . GLN A 1 106 ? -5.274 10.478 12.802 1.00 90.95 106 A 1 ATOM 883 C CA . GLN A 1 106 ? -6.707 10.244 12.657 1.00 91.05 106 A 1 ATOM 884 C C . GLN A 1 106 ? -7.056 8.758 12.626 1.00 91.95 106 A 1 ATOM 885 O O . GLN A 1 106 ? -8.227 8.385 12.685 1.00 90.40 106 A 1 ATOM 886 C CB . GLN A 1 106 ? -7.213 10.932 11.383 1.00 89.11 106 A 1 ATOM 887 C CG . GLN A 1 106 ? -6.998 12.440 11.371 1.00 81.44 106 A 1 ATOM 888 C CD . GLN A 1 106 ? -7.383 13.079 10.055 1.00 74.91 106 A 1 ATOM 889 O OE1 . GLN A 1 106 ? -6.877 12.701 9.001 1.00 66.89 106 A 1 ATOM 890 N NE2 . GLN A 1 106 ? -8.282 14.054 10.112 1.00 64.40 106 A 1 ATOM 891 N N . ILE A 1 107 ? -6.040 7.910 12.538 1.00 90.91 107 A 1 ATOM 892 C CA . ILE A 1 107 ? -6.263 6.465 12.525 1.00 90.98 107 A 1 ATOM 893 C C . ILE A 1 107 ? -6.590 6.022 13.951 1.00 91.37 107 A 1 ATOM 894 O O . ILE A 1 107 ? -5.889 6.383 14.893 1.00 90.74 107 A 1 ATOM 895 C CB . ILE A 1 107 ? -5.010 5.714 12.025 1.00 90.27 107 A 1 ATOM 896 C CG1 . ILE A 1 107 ? -4.663 6.174 10.607 1.00 87.49 107 A 1 ATOM 897 C CG2 . ILE A 1 107 ? -5.250 4.210 12.057 1.00 87.81 107 A 1 ATOM 898 C CD1 . ILE A 1 107 ? -3.407 5.541 10.039 1.00 84.53 107 A 1 ATOM 899 N N . SER A 1 108 ? -7.651 5.232 14.103 1.00 92.74 108 A 1 ATOM 900 C CA . SER A 1 108 ? -8.064 4.768 15.422 1.00 92.57 108 A 1 ATOM 901 C C . SER A 1 108 ? -6.949 3.979 16.105 1.00 93.27 108 A 1 ATOM 902 O O . SER A 1 108 ? -6.108 3.368 15.445 1.00 92.82 108 A 1 ATOM 903 C CB . SER A 1 108 ? -9.318 3.897 15.320 1.00 90.96 108 A 1 ATOM 904 O OG . SER A 1 108 ? -9.034 2.664 14.691 1.00 87.18 108 A 1 ATOM 905 N N . GLN A 1 109 ? -6.958 3.994 17.436 1.00 92.88 109 A 1 ATOM 906 C CA . GLN A 1 109 ? -5.945 3.272 18.195 1.00 93.21 109 A 1 ATOM 907 C C . GLN A 1 109 ? -6.044 1.773 17.935 1.00 93.98 109 A 1 ATOM 908 O O . GLN A 1 109 ? -5.034 1.072 17.894 1.00 93.51 109 A 1 ATOM 909 C CB . GLN A 1 109 ? -6.104 3.550 19.692 1.00 92.33 109 A 1 ATOM 910 C CG . GLN A 1 109 ? -5.926 5.007 20.084 1.00 81.22 109 A 1 ATOM 911 C CD . GLN A 1 109 ? -5.949 5.203 21.587 1.00 73.75 109 A 1 ATOM 912 O OE1 . GLN A 1 109 ? -6.819 4.672 22.278 1.00 66.79 109 A 1 ATOM 913 N NE2 . GLN A 1 109 ? -4.995 5.970 22.102 1.00 63.62 109 A 1 ATOM 914 N N . ASP A 1 110 ? -7.263 1.287 17.751 1.00 93.71 110 A 1 ATOM 915 C CA . ASP A 1 110 ? -7.484 -0.134 17.496 1.00 93.66 110 A 1 ATOM 916 C C . ASP A 1 110 ? -6.827 -0.573 16.187 1.00 94.72 110 A 1 ATOM 917 O O . ASP A 1 110 ? -6.122 -1.583 16.143 1.00 94.30 110 A 1 ATOM 918 C CB . ASP A 1 110 ? -8.985 -0.442 17.449 1.00 92.03 110 A 1 ATOM 919 C CG . ASP A 1 110 ? -9.262 -1.917 17.227 1.00 78.26 110 A 1 ATOM 920 O OD1 . ASP A 1 110 ? -8.799 -2.736 18.045 1.00 71.15 110 A 1 ATOM 921 O OD2 . ASP A 1 110 ? -9.938 -2.251 16.236 1.00 69.68 110 A 1 ATOM 922 N N . ILE A 1 111 ? -7.059 0.187 15.123 1.00 94.57 111 A 1 ATOM 923 C CA . ILE A 1 111 ? -6.473 -0.136 13.825 1.00 95.06 111 A 1 ATOM 924 C C . ILE A 1 111 ? -4.954 0.014 13.877 1.00 95.34 111 A 1 ATOM 925 O O . ILE A 1 111 ? -4.218 -0.823 13.353 1.00 95.26 111 A 1 ATOM 926 C CB . ILE A 1 111 ? -7.056 0.767 12.713 1.00 95.07 111 A 1 ATOM 927 C CG1 . ILE A 1 111 ? -8.520 0.385 12.463 1.00 94.00 111 A 1 ATOM 928 C CG2 . ILE A 1 111 ? -6.238 0.643 11.433 1.00 94.14 111 A 1 ATOM 929 C CD1 . ILE A 1 111 ? -9.215 1.216 11.401 1.00 90.54 111 A 1 ATOM 930 N N . SER A 1 112 ? -4.497 1.074 14.520 1.00 94.57 112 A 1 ATOM 931 C CA . SER A 1 112 ? -3.065 1.321 14.651 1.00 93.93 112 A 1 ATOM 932 C C . SER A 1 112 ? -2.390 0.157 15.378 1.00 94.46 112 A 1 ATOM 933 O O . SER A 1 112 ? -1.300 -0.279 15.000 1.00 94.29 112 A 1 ATOM 934 C CB . SER A 1 112 ? -2.823 2.623 15.416 1.00 92.46 112 A 1 ATOM 935 O OG . SER A 1 112 ? -1.440 2.889 15.534 1.00 79.33 112 A 1 ATOM 936 N N . GLN A 1 113 ? -3.050 -0.335 16.419 1.00 94.52 113 A 1 ATOM 937 C CA . GLN A 1 113 ? -2.514 -1.447 17.196 1.00 94.63 113 A 1 ATOM 938 C C . GLN A 1 113 ? -2.445 -2.724 16.367 1.00 95.01 113 A 1 ATOM 939 O O . GLN A 1 113 ? -1.467 -3.467 16.428 1.00 95.02 113 A 1 ATOM 940 C CB . GLN A 1 113 ? -3.376 -1.689 18.436 1.00 94.28 113 A 1 ATOM 941 C CG . GLN A 1 113 ? -2.784 -2.697 19.414 1.00 81.60 113 A 1 ATOM 942 C CD . GLN A 1 113 ? -3.700 -2.964 20.598 1.00 75.84 113 A 1 ATOM 943 O OE1 . GLN A 1 113 ? -4.412 -2.074 21.058 1.00 68.65 113 A 1 ATOM 944 N NE2 . GLN A 1 113 ? -3.674 -4.191 21.107 1.00 64.36 113 A 1 ATOM 945 N N . GLN A 1 114 ? -3.490 -2.975 15.589 1.00 95.31 114 A 1 ATOM 946 C CA . GLN A 1 114 ? -3.527 -4.175 14.756 1.00 95.38 114 A 1 ATOM 947 C C . GLN A 1 114 ? -2.429 -4.143 13.694 1.00 95.56 114 A 1 ATOM 948 O O . GLN A 1 114 ? -1.799 -5.161 13.414 1.00 95.09 114 A 1 ATOM 949 C CB . GLN A 1 114 ? -4.905 -4.321 14.103 1.00 95.23 114 A 1 ATOM 950 C CG . GLN A 1 114 ? -6.013 -4.622 15.105 1.00 91.02 114 A 1 ATOM 951 C CD . GLN A 1 114 ? -7.364 -4.815 14.447 1.00 86.49 114 A 1 ATOM 952 O OE1 . GLN A 1 114 ? -7.515 -5.641 13.549 1.00 76.23 114 A 1 ATOM 953 N NE2 . GLN A 1 114 ? -8.358 -4.055 14.895 1.00 73.73 114 A 1 ATOM 954 N N . LEU A 1 115 ? -2.198 -2.982 13.116 1.00 95.82 115 A 1 ATOM 955 C CA . LEU A 1 115 ? -1.148 -2.842 12.111 1.00 95.43 115 A 1 ATOM 956 C C . LEU A 1 115 ? 0.211 -3.063 12.775 1.00 95.24 115 A 1 ATOM 957 O O . LEU A 1 115 ? 1.093 -3.704 12.205 1.00 94.81 115 A 1 ATOM 958 C CB . LEU A 1 115 ? -1.195 -1.451 11.473 1.00 95.59 115 A 1 ATOM 959 C CG . LEU A 1 115 ? -2.390 -1.167 10.558 1.00 95.25 115 A 1 ATOM 960 C CD1 . LEU A 1 115 ? -2.408 0.306 10.174 1.00 94.47 115 A 1 ATOM 961 C CD2 . LEU A 1 115 ? -2.306 -2.038 9.313 1.00 94.31 115 A 1 ATOM 962 N N . ARG A 1 116 ? 0.358 -2.536 13.981 1.00 94.63 116 A 1 ATOM 963 C CA . ARG A 1 116 ? 1.606 -2.663 14.726 1.00 93.88 116 A 1 ATOM 964 C C . ARG A 1 116 ? 1.900 -4.126 15.073 1.00 94.04 116 A 1 ATOM 965 O O . ARG A 1 116 ? 3.046 -4.566 15.022 1.00 93.42 116 A 1 ATOM 966 C CB . ARG A 1 116 ? 1.539 -1.829 16.006 1.00 92.66 116 A 1 ATOM 967 C CG . ARG A 1 116 ? 2.850 -1.757 16.767 1.00 80.70 116 A 1 ATOM 968 C CD . ARG A 1 116 ? 2.730 -0.891 18.012 1.00 78.52 116 A 1 ATOM 969 N NE . ARG A 1 116 ? 2.242 0.459 17.717 1.00 68.62 116 A 1 ATOM 970 C CZ . ARG A 1 116 ? 1.005 0.885 17.959 1.00 61.74 116 A 1 ATOM 971 N NH1 . ARG A 1 116 ? 0.119 0.079 18.517 1.00 56.26 116 A 1 ATOM 972 N NH2 . ARG A 1 116 ? 0.652 2.119 17.639 1.00 54.66 116 A 1 ATOM 973 N N . GLN A 1 117 ? 0.852 -4.865 15.427 1.00 94.75 117 A 1 ATOM 974 C CA . GLN A 1 117 ? 1.012 -6.270 15.791 1.00 94.60 117 A 1 ATOM 975 C C . GLN A 1 117 ? 1.461 -7.122 14.607 1.00 94.69 117 A 1 ATOM 976 O O . GLN A 1 117 ? 2.067 -8.179 14.786 1.00 93.64 117 A 1 ATOM 977 C CB . GLN A 1 117 ? -0.305 -6.825 16.346 1.00 93.70 117 A 1 ATOM 978 C CG . GLN A 1 117 ? -0.777 -6.159 17.627 1.00 82.53 117 A 1 ATOM 979 C CD . GLN A 1 117 ? -2.080 -6.740 18.136 1.00 79.33 117 A 1 ATOM 980 O OE1 . GLN A 1 117 ? -3.025 -6.924 17.368 1.00 72.82 117 A 1 ATOM 981 N NE2 . GLN A 1 117 ? -2.137 -7.029 19.432 1.00 69.64 117 A 1 ATOM 982 N N . HIS A 1 118 ? 1.165 -6.654 13.402 1.00 95.25 118 A 1 ATOM 983 C CA . HIS A 1 118 ? 1.534 -7.386 12.196 1.00 95.08 118 A 1 ATOM 984 C C . HIS A 1 118 ? 2.703 -6.762 11.431 1.00 95.41 118 A 1 ATOM 985 O O . HIS A 1 118 ? 2.894 -7.044 10.249 1.00 94.00 118 A 1 ATOM 986 C CB . HIS A 1 118 ? 0.317 -7.502 11.272 1.00 94.37 118 A 1 ATOM 987 C CG . HIS A 1 118 ? -0.740 -8.437 11.774 1.00 92.81 118 A 1 ATOM 988 N ND1 . HIS A 1 118 ? -0.581 -9.804 11.781 1.00 81.66 118 A 1 ATOM 989 C CD2 . HIS A 1 118 ? -1.963 -8.203 12.300 1.00 81.77 118 A 1 ATOM 990 C CE1 . HIS A 1 118 ? -1.662 -10.371 12.288 1.00 83.33 118 A 1 ATOM 991 N NE2 . HIS A 1 118 ? -2.519 -9.425 12.613 1.00 85.50 118 A 1 ATOM 992 N N . GLN A 1 119 ? 3.485 -5.939 12.103 1.00 93.63 119 A 1 ATOM 993 C CA . GLN A 1 119 ? 4.629 -5.275 11.475 1.00 92.59 119 A 1 ATOM 994 C C . GLN A 1 119 ? 5.509 -6.238 10.667 1.00 93.60 119 A 1 ATOM 995 O O . GLN A 1 119 ? 5.886 -5.930 9.536 1.00 92.66 119 A 1 ATOM 996 C CB . GLN A 1 119 ? 5.487 -4.573 12.534 1.00 89.64 119 A 1 ATOM 997 C CG . GLN A 1 119 ? 4.901 -3.264 13.042 1.00 76.40 119 A 1 ATOM 998 C CD . GLN A 1 119 ? 4.885 -2.184 11.978 1.00 70.71 119 A 1 ATOM 999 O OE1 . GLN A 1 119 ? 5.855 -2.002 11.245 1.00 63.51 119 A 1 ATOM 1000 N NE2 . GLN A 1 119 ? 3.784 -1.448 11.896 1.00 60.16 119 A 1 ATOM 1001 N N . PRO A 1 120 ? 5.831 -7.410 11.225 1.00 94.28 120 A 1 ATOM 1002 C CA . PRO A 1 120 ? 6.680 -8.368 10.499 1.00 94.61 120 A 1 ATOM 1003 C C . PRO A 1 120 ? 6.045 -8.912 9.222 1.00 95.21 120 A 1 ATOM 1004 O O . PRO A 1 120 ? 6.754 -9.337 8.306 1.00 93.24 120 A 1 ATOM 1005 C CB . PRO A 1 120 ? 6.902 -9.480 11.523 1.00 93.03 120 A 1 ATOM 1006 C CG . PRO A 1 120 ? 6.731 -8.791 12.839 1.00 89.83 120 A 1 ATOM 1007 C CD . PRO A 1 120 ? 5.564 -7.876 12.587 1.00 92.76 120 A 1 ATOM 1008 N N . SER A 1 121 ? 4.711 -8.898 9.163 1.00 96.73 121 A 1 ATOM 1009 C CA . SER A 1 121 ? 3.991 -9.448 8.016 1.00 97.09 121 A 1 ATOM 1010 C C . SER A 1 121 ? 3.505 -8.414 7.006 1.00 97.45 121 A 1 ATOM 1011 O O . SER A 1 121 ? 2.849 -8.762 6.024 1.00 96.62 121 A 1 ATOM 1012 C CB . SER A 1 121 ? 2.793 -10.269 8.498 1.00 96.15 121 A 1 ATOM 1013 O OG . SER A 1 121 ? 3.201 -11.316 9.355 1.00 89.24 121 A 1 ATOM 1014 N N . ILE A 1 122 ? 3.819 -7.153 7.240 1.00 97.90 122 A 1 ATOM 1015 C CA . ILE A 1 122 ? 3.402 -6.088 6.328 1.00 97.92 122 A 1 ATOM 1016 C C . ILE A 1 122 ? 4.521 -5.074 6.138 1.00 97.78 122 A 1 ATOM 1017 O O . ILE A 1 122 ? 5.525 -5.100 6.848 1.00 97.18 122 A 1 ATOM 1018 C CB . ILE A 1 122 ? 2.156 -5.342 6.870 1.00 97.68 122 A 1 ATOM 1019 C CG1 . ILE A 1 122 ? 2.511 -4.601 8.160 1.00 96.66 122 A 1 ATOM 1020 C CG2 . ILE A 1 122 ? 1.014 -6.315 7.109 1.00 95.77 122 A 1 ATOM 1021 C CD1 . ILE A 1 122 ? 1.378 -3.776 8.742 1.00 95.53 122 A 1 ATOM 1022 N N . THR A 1 123 ? 4.341 -4.191 5.166 1.00 97.67 123 A 1 ATOM 1023 C CA . THR A 1 123 ? 5.309 -3.133 4.915 1.00 97.63 123 A 1 ATOM 1024 C C . THR A 1 123 ? 4.564 -1.808 5.024 1.00 97.78 123 A 1 ATOM 1025 O O . THR A 1 123 ? 3.601 -1.573 4.304 1.00 97.44 123 A 1 ATOM 1026 C CB . THR A 1 123 ? 5.931 -3.250 3.512 1.00 97.19 123 A 1 ATOM 1027 O OG1 . THR A 1 123 ? 6.671 -4.469 3.414 1.00 94.78 123 A 1 ATOM 1028 C CG2 . THR A 1 123 ? 6.871 -2.078 3.250 1.00 95.04 123 A 1 ATOM 1029 N N . MET A 1 124 ? 5.005 -0.957 5.938 1.00 96.70 124 A 1 ATOM 1030 C CA . MET A 1 124 ? 4.371 0.341 6.149 1.00 96.33 124 A 1 ATOM 1031 C C . MET A 1 124 ? 5.270 1.456 5.621 1.00 96.67 124 A 1 ATOM 1032 O O . MET A 1 124 ? 6.429 1.566 6.015 1.00 96.05 124 A 1 ATOM 1033 C CB . MET A 1 124 ? 4.117 0.562 7.641 1.00 94.84 124 A 1 ATOM 1034 C CG . MET A 1 124 ? 3.187 -0.462 8.276 1.00 85.65 124 A 1 ATOM 1035 S SD . MET A 1 124 ? 1.460 -0.222 7.804 1.00 79.15 124 A 1 ATOM 1036 C CE . MET A 1 124 ? 1.039 1.192 8.835 1.00 68.32 124 A 1 ATOM 1037 N N . ILE A 1 125 ? 4.737 2.265 4.716 1.00 97.33 125 A 1 ATOM 1038 C CA . ILE A 1 125 ? 5.506 3.374 4.161 1.00 97.55 125 A 1 ATOM 1039 C C . ILE A 1 125 ? 4.676 4.649 4.288 1.00 97.54 125 A 1 ATOM 1040 O O . ILE A 1 125 ? 3.514 4.682 3.895 1.00 97.37 125 A 1 ATOM 1041 C CB . ILE A 1 125 ? 5.857 3.141 2.676 1.00 97.65 125 A 1 ATOM 1042 C CG1 . ILE A 1 125 ? 6.494 1.760 2.492 1.00 95.69 125 A 1 ATOM 1043 C CG2 . ILE A 1 125 ? 6.823 4.225 2.202 1.00 94.29 125 A 1 ATOM 1044 C CD1 . ILE A 1 125 ? 6.835 1.423 1.052 1.00 94.93 125 A 1 ATOM 1045 N N . THR A 1 126 ? 5.281 5.688 4.839 1.00 97.28 126 A 1 ATOM 1046 C CA . THR A 1 126 ? 4.579 6.947 5.050 1.00 97.41 126 A 1 ATOM 1047 C C . THR A 1 126 ? 4.879 7.994 3.982 1.00 97.87 126 A 1 ATOM 1048 O O . THR A 1 126 ? 6.040 8.246 3.656 1.00 97.83 126 A 1 ATOM 1049 C CB . THR A 1 126 ? 4.933 7.538 6.425 1.00 96.50 126 A 1 ATOM 1050 O OG1 . THR A 1 126 ? 4.569 6.611 7.451 1.00 92.26 126 A 1 ATOM 1051 C CG2 . THR A 1 126 ? 4.192 8.853 6.653 1.00 92.33 126 A 1 ATOM 1052 N N . TRP A 1 127 ? 3.820 8.582 3.443 1.00 97.95 127 A 1 ATOM 1053 C CA . TRP A 1 127 ? 3.947 9.646 2.456 1.00 98.12 127 A 1 ATOM 1054 C C . TRP A 1 127 ? 3.788 10.955 3.216 1.00 97.95 127 A 1 ATOM 1055 O O . TRP A 1 127 ? 2.720 11.236 3.770 1.00 97.51 127 A 1 ATOM 1056 C CB . TRP A 1 127 ? 2.859 9.534 1.384 1.00 98.18 127 A 1 ATOM 1057 C CG . TRP A 1 127 ? 2.839 10.703 0.441 1.00 98.28 127 A 1 ATOM 1058 C CD1 . TRP A 1 127 ? 2.099 11.845 0.560 1.00 97.82 127 A 1 ATOM 1059 C CD2 . TRP A 1 127 ? 3.645 10.868 -0.736 1.00 98.18 127 A 1 ATOM 1060 N NE1 . TRP A 1 127 ? 2.385 12.711 -0.475 1.00 97.58 127 A 1 ATOM 1061 C CE2 . TRP A 1 127 ? 3.332 12.137 -1.289 1.00 97.91 127 A 1 ATOM 1062 C CE3 . TRP A 1 127 ? 4.596 10.068 -1.384 1.00 97.82 127 A 1 ATOM 1063 C CZ2 . TRP A 1 127 ? 3.943 12.619 -2.453 1.00 97.52 127 A 1 ATOM 1064 C CZ3 . TRP A 1 127 ? 5.198 10.553 -2.542 1.00 97.35 127 A 1 ATOM 1065 C CH2 . TRP A 1 127 ? 4.872 11.816 -3.065 1.00 97.31 127 A 1 ATOM 1066 N N . GLY A 1 128 ? 4.847 11.745 3.260 1.00 97.23 128 A 1 ATOM 1067 C CA . GLY A 1 128 ? 4.818 12.997 3.987 1.00 96.87 128 A 1 ATOM 1068 C C . GLY A 1 128 ? 5.159 14.222 3.166 1.00 97.39 128 A 1 ATOM 1069 O O . GLY A 1 128 ? 5.189 14.169 1.936 1.00 96.51 128 A 1 ATOM 1070 N N . ALA A 1 129 ? 5.421 15.324 3.858 1.00 94.76 129 A 1 ATOM 1071 C CA . ALA A 1 129 ? 5.717 16.597 3.213 1.00 93.80 129 A 1 ATOM 1072 C C . ALA A 1 129 ? 6.990 16.592 2.371 1.00 93.73 129 A 1 ATOM 1073 O O . ALA A 1 129 ? 7.126 17.386 1.444 1.00 90.28 129 A 1 ATOM 1074 C CB . ALA A 1 129 ? 5.799 17.693 4.270 1.00 91.37 129 A 1 ATOM 1075 N N . HIS A 1 130 ? 7.913 15.698 2.687 1.00 94.56 130 A 1 ATOM 1076 C CA . HIS A 1 130 ? 9.181 15.640 1.964 1.00 94.97 130 A 1 ATOM 1077 C C . HIS A 1 130 ? 9.313 14.426 1.047 1.00 96.13 130 A 1 ATOM 1078 O O . HIS A 1 130 ? 10.409 14.105 0.583 1.00 94.57 130 A 1 ATOM 1079 C CB . HIS A 1 130 ? 10.340 15.641 2.966 1.00 92.45 130 A 1 ATOM 1080 C CG . HIS A 1 130 ? 10.293 16.769 3.949 1.00 86.99 130 A 1 ATOM 1081 N ND1 . HIS A 1 130 ? 10.395 18.089 3.577 1.00 74.34 130 A 1 ATOM 1082 C CD2 . HIS A 1 130 ? 10.139 16.769 5.288 1.00 73.98 130 A 1 ATOM 1083 C CE1 . HIS A 1 130 ? 10.305 18.858 4.644 1.00 73.15 130 A 1 ATOM 1084 N NE2 . HIS A 1 130 ? 10.154 18.083 5.701 1.00 74.12 130 A 1 ATOM 1085 N N . SER A 1 131 ? 8.197 13.751 0.794 1.00 97.19 131 A 1 ATOM 1086 C CA . SER A 1 131 ? 8.220 12.537 -0.017 1.00 97.63 131 A 1 ATOM 1087 C C . SER A 1 131 ? 8.183 12.733 -1.532 1.00 97.51 131 A 1 ATOM 1088 O O . SER A 1 131 ? 8.497 11.808 -2.277 1.00 96.78 131 A 1 ATOM 1089 C CB . SER A 1 131 ? 7.065 11.620 0.391 1.00 97.54 131 A 1 ATOM 1090 O OG . SER A 1 131 ? 7.152 11.264 1.759 1.00 96.79 131 A 1 ATOM 1091 N N . MET A 1 132 ? 7.815 13.929 -1.978 1.00 96.71 132 A 1 ATOM 1092 C CA . MET A 1 132 ? 7.693 14.180 -3.416 1.00 95.74 132 A 1 ATOM 1093 C C . MET A 1 132 ? 8.983 13.966 -4.213 1.00 95.46 132 A 1 ATOM 1094 O O . MET A 1 132 ? 8.960 13.380 -5.293 1.00 94.14 132 A 1 ATOM 1095 C CB . MET A 1 132 ? 7.177 15.598 -3.666 1.00 93.95 132 A 1 ATOM 1096 C CG . MET A 1 132 ? 6.877 15.898 -5.127 1.00 84.59 132 A 1 ATOM 1097 S SD . MET A 1 132 ? 5.538 14.862 -5.790 1.00 79.54 132 A 1 ATOM 1098 C CE . MET A 1 132 ? 4.097 15.686 -5.096 1.00 69.86 132 A 1 ATOM 1099 N N . THR A 1 133 ? 10.101 14.436 -3.687 1.00 95.74 133 A 1 ATOM 1100 C CA . THR A 1 133 ? 11.370 14.291 -4.393 1.00 95.90 133 A 1 ATOM 1101 C C . THR A 1 133 ? 11.702 12.816 -4.637 1.00 96.13 133 A 1 ATOM 1102 O O . THR A 1 133 ? 11.495 11.972 -3.765 1.00 95.50 133 A 1 ATOM 1103 C CB . THR A 1 133 ? 12.527 14.936 -3.607 1.00 94.57 133 A 1 ATOM 1104 O OG1 . THR A 1 133 ? 12.608 14.364 -2.299 1.00 84.30 133 A 1 ATOM 1105 C CG2 . THR A 1 133 ? 12.307 16.436 -3.484 1.00 82.93 133 A 1 ATOM 1106 N N . PRO A 1 134 ? 12.215 12.498 -5.826 1.00 94.19 134 A 1 ATOM 1107 C CA . PRO A 1 134 ? 12.558 11.117 -6.193 1.00 93.11 134 A 1 ATOM 1108 C C . PRO A 1 134 ? 13.512 10.428 -5.225 1.00 93.51 134 A 1 ATOM 1109 O O . PRO A 1 134 ? 13.496 9.201 -5.099 1.00 92.10 134 A 1 ATOM 1110 C CB . PRO A 1 134 ? 13.180 11.278 -7.581 1.00 91.10 134 A 1 ATOM 1111 C CG . PRO A 1 134 ? 12.478 12.477 -8.132 1.00 88.88 134 A 1 ATOM 1112 C CD . PRO A 1 134 ? 12.441 13.418 -6.951 1.00 92.15 134 A 1 ATOM 1113 N N . SER A 1 135 ? 14.344 11.210 -4.556 1.00 94.50 135 A 1 ATOM 1114 C CA . SER A 1 135 ? 15.325 10.661 -3.625 1.00 94.94 135 A 1 ATOM 1115 C C . SER A 1 135 ? 14.809 10.551 -2.190 1.00 95.64 135 A 1 ATOM 1116 O O . SER A 1 135 ? 15.567 10.216 -1.281 1.00 94.68 135 A 1 ATOM 1117 C CB . SER A 1 135 ? 16.591 11.523 -3.640 1.00 93.81 135 A 1 ATOM 1118 O OG . SER A 1 135 ? 16.298 12.849 -3.239 1.00 89.37 135 A 1 ATOM 1119 N N . SER A 1 136 ? 13.533 10.828 -1.988 1.00 96.82 136 A 1 ATOM 1120 C CA . SER A 1 136 ? 12.952 10.777 -0.650 1.00 97.21 136 A 1 ATOM 1121 C C . SER A 1 136 ? 12.932 9.361 -0.079 1.00 97.48 136 A 1 ATOM 1122 O O . SER A 1 136 ? 13.047 8.377 -0.811 1.00 97.37 136 A 1 ATOM 1123 C CB . SER A 1 136 ? 11.520 11.321 -0.668 1.00 97.04 136 A 1 ATOM 1124 O OG . SER A 1 136 ? 10.652 10.430 -1.349 1.00 96.28 136 A 1 ATOM 1125 N N . GLY A 1 137 ? 12.779 9.285 1.239 1.00 97.36 137 A 1 ATOM 1126 C CA . GLY A 1 137 ? 12.734 7.989 1.898 1.00 97.12 137 A 1 ATOM 1127 C C . GLY A 1 137 ? 11.564 7.149 1.426 1.00 97.45 137 A 1 ATOM 1128 O O . GLY A 1 137 ? 11.661 5.923 1.357 1.00 96.98 137 A 1 ATOM 1129 N N . PHE A 1 138 ? 10.464 7.809 1.080 1.00 97.79 138 A 1 ATOM 1130 C CA . PHE A 1 138 ? 9.278 7.108 0.597 1.00 98.01 138 A 1 ATOM 1131 C C . PHE A 1 138 ? 9.594 6.261 -0.633 1.00 97.88 138 A 1 ATOM 1132 O O . PHE A 1 138 ? 9.335 5.060 -0.659 1.00 97.73 138 A 1 ATOM 1133 C CB . PHE A 1 138 ? 8.167 8.098 0.246 1.00 98.07 138 A 1 ATOM 1134 C CG . PHE A 1 138 ? 6.960 7.451 -0.388 1.00 98.33 138 A 1 ATOM 1135 C CD1 . PHE A 1 138 ? 5.967 6.874 0.399 1.00 98.21 138 A 1 ATOM 1136 C CD2 . PHE A 1 138 ? 6.839 7.376 -1.774 1.00 98.17 138 A 1 ATOM 1137 C CE1 . PHE A 1 138 ? 4.875 6.237 -0.183 1.00 98.01 138 A 1 ATOM 1138 C CE2 . PHE A 1 138 ? 5.750 6.737 -2.363 1.00 97.94 138 A 1 ATOM 1139 C CZ . PHE A 1 138 ? 4.767 6.167 -1.566 1.00 98.10 138 A 1 ATOM 1140 N N . TRP A 1 139 ? 10.161 6.899 -1.653 1.00 97.59 139 A 1 ATOM 1141 C CA . TRP A 1 139 ? 10.473 6.193 -2.888 1.00 97.24 139 A 1 ATOM 1142 C C . TRP A 1 139 ? 11.566 5.147 -2.696 1.00 96.73 139 A 1 ATOM 1143 O O . TRP A 1 139 ? 11.524 4.083 -3.309 1.00 96.16 139 A 1 ATOM 1144 C CB . TRP A 1 139 ? 10.873 7.183 -3.983 1.00 97.09 139 A 1 ATOM 1145 C CG . TRP A 1 139 ? 9.752 8.104 -4.385 1.00 97.40 139 A 1 ATOM 1146 C CD1 . TRP A 1 139 ? 9.695 9.453 -4.218 1.00 96.82 139 A 1 ATOM 1147 C CD2 . TRP A 1 139 ? 8.505 7.723 -4.990 1.00 97.60 139 A 1 ATOM 1148 N NE1 . TRP A 1 139 ? 8.496 9.942 -4.685 1.00 96.83 139 A 1 ATOM 1149 C CE2 . TRP A 1 139 ? 7.744 8.902 -5.162 1.00 97.27 139 A 1 ATOM 1150 C CE3 . TRP A 1 139 ? 7.956 6.502 -5.406 1.00 97.39 139 A 1 ATOM 1151 C CZ2 . TRP A 1 139 ? 6.463 8.890 -5.727 1.00 96.97 139 A 1 ATOM 1152 C CZ3 . TRP A 1 139 ? 6.680 6.497 -5.967 1.00 97.05 139 A 1 ATOM 1153 C CH2 . TRP A 1 139 ? 5.950 7.684 -6.122 1.00 97.03 139 A 1 ATOM 1154 N N . LYS A 1 140 ? 12.530 5.435 -1.847 1.00 97.03 140 A 1 ATOM 1155 C CA . LYS A 1 140 ? 13.609 4.493 -1.579 1.00 96.54 140 A 1 ATOM 1156 C C . LYS A 1 140 ? 13.064 3.239 -0.900 1.00 96.21 140 A 1 ATOM 1157 O O . LYS A 1 140 ? 13.428 2.120 -1.257 1.00 95.71 140 A 1 ATOM 1158 C CB . LYS A 1 140 ? 14.678 5.151 -0.707 1.00 96.16 140 A 1 ATOM 1159 C CG . LYS A 1 140 ? 15.428 6.281 -1.410 1.00 90.97 140 A 1 ATOM 1160 C CD . LYS A 1 140 ? 16.472 6.927 -0.506 1.00 86.74 140 A 1 ATOM 1161 C CE . LYS A 1 140 ? 17.597 5.965 -0.168 1.00 78.69 140 A 1 ATOM 1162 N NZ . LYS A 1 140 ? 18.647 6.616 0.667 1.00 70.76 140 A 1 ATOM 1163 N N . GLU A 1 141 ? 12.186 3.434 0.075 1.00 97.25 141 A 1 ATOM 1164 C CA . GLU A 1 141 ? 11.587 2.311 0.793 1.00 97.04 141 A 1 ATOM 1165 C C . GLU A 1 141 ? 10.675 1.496 -0.121 1.00 96.89 141 A 1 ATOM 1166 O O . GLU A 1 141 ? 10.685 0.266 -0.086 1.00 96.42 141 A 1 ATOM 1167 C CB . GLU A 1 141 ? 10.794 2.824 1.998 1.00 96.79 141 A 1 ATOM 1168 C CG . GLU A 1 141 ? 11.664 3.317 3.144 1.00 89.18 141 A 1 ATOM 1169 C CD . GLU A 1 141 ? 10.846 3.915 4.276 1.00 84.25 141 A 1 ATOM 1170 O OE1 . GLU A 1 141 ? 9.803 3.326 4.632 1.00 78.79 141 A 1 ATOM 1171 O OE2 . GLU A 1 141 ? 11.250 4.968 4.811 1.00 79.03 141 A 1 ATOM 1172 N N . LEU A 1 142 ? 9.904 2.188 -0.945 1.00 97.22 142 A 1 ATOM 1173 C CA . LEU A 1 142 ? 8.990 1.509 -1.859 1.00 97.27 142 A 1 ATOM 1174 C C . LEU A 1 142 ? 9.773 0.702 -2.893 1.00 96.88 142 A 1 ATOM 1175 O O . LEU A 1 142 ? 9.411 -0.431 -3.216 1.00 96.49 142 A 1 ATOM 1176 C CB . LEU A 1 142 ? 8.085 2.525 -2.561 1.00 97.46 142 A 1 ATOM 1177 C CG . LEU A 1 142 ? 7.032 1.961 -3.523 1.00 97.32 142 A 1 ATOM 1178 C CD1 . LEU A 1 142 ? 6.139 0.958 -2.806 1.00 97.07 142 A 1 ATOM 1179 C CD2 . LEU A 1 142 ? 6.201 3.111 -4.079 1.00 97.03 142 A 1 ATOM 1180 N N . ALA A 1 143 ? 10.845 1.277 -3.398 1.00 96.35 143 A 1 ATOM 1181 C CA . ALA A 1 143 ? 11.670 0.598 -4.392 1.00 95.63 143 A 1 ATOM 1182 C C . ALA A 1 143 ? 12.285 -0.686 -3.839 1.00 95.38 143 A 1 ATOM 1183 O O . ALA A 1 143 ? 12.450 -1.665 -4.566 1.00 94.48 143 A 1 ATOM 1184 C CB . ALA A 1 143 ? 12.773 1.535 -4.880 1.00 94.72 143 A 1 ATOM 1185 N N . LEU A 1 144 ? 12.617 -0.676 -2.560 1.00 95.57 144 A 1 ATOM 1186 C CA . LEU A 1 144 ? 13.224 -1.840 -1.924 1.00 95.13 144 A 1 ATOM 1187 C C . LEU A 1 144 ? 12.287 -3.044 -1.844 1.00 94.91 144 A 1 ATOM 1188 O O . LEU A 1 144 ? 12.737 -4.188 -1.910 1.00 93.54 144 A 1 ATOM 1189 C CB . LEU A 1 144 ? 13.713 -1.489 -0.515 1.00 94.35 144 A 1 ATOM 1190 C CG . LEU A 1 144 ? 14.949 -0.593 -0.413 1.00 85.88 144 A 1 ATOM 1191 C CD1 . LEU A 1 144 ? 15.209 -0.245 1.044 1.00 83.11 144 A 1 ATOM 1192 C CD2 . LEU A 1 144 ? 16.153 -1.312 -1.010 1.00 82.23 144 A 1 ATOM 1193 N N . VAL A 1 145 ? 10.985 -2.783 -1.703 1.00 96.23 145 A 1 ATOM 1194 C CA . VAL A 1 145 ? 10.018 -3.875 -1.590 1.00 96.19 145 A 1 ATOM 1195 C C . VAL A 1 145 ? 9.340 -4.236 -2.907 1.00 96.12 145 A 1 ATOM 1196 O O . VAL A 1 145 ? 8.649 -5.248 -2.995 1.00 95.27 145 A 1 ATOM 1197 C CB . VAL A 1 145 ? 8.933 -3.551 -0.537 1.00 95.95 145 A 1 ATOM 1198 C CG1 . VAL A 1 145 ? 9.581 -3.423 0.838 1.00 93.03 145 A 1 ATOM 1199 C CG2 . VAL A 1 145 ? 8.198 -2.274 -0.903 1.00 93.35 145 A 1 ATOM 1200 N N . MET A 1 146 ? 9.547 -3.425 -3.931 1.00 95.83 146 A 1 ATOM 1201 C CA . MET A 1 146 ? 8.973 -3.699 -5.243 1.00 95.74 146 A 1 ATOM 1202 C C . MET A 1 146 ? 9.894 -4.649 -6.014 1.00 94.98 146 A 1 ATOM 1203 O O . MET A 1 146 ? 11.082 -4.742 -5.718 1.00 93.78 146 A 1 ATOM 1204 C CB . MET A 1 146 ? 8.802 -2.400 -6.031 1.00 95.69 146 A 1 ATOM 1205 C CG . MET A 1 146 ? 7.647 -1.526 -5.559 1.00 94.44 146 A 1 ATOM 1206 S SD . MET A 1 146 ? 6.036 -2.272 -5.892 1.00 94.45 146 A 1 ATOM 1207 C CE . MET A 1 146 ? 5.913 -2.041 -7.672 1.00 90.83 146 A 1 ATOM 1208 N N . PRO A 1 147 ? 9.359 -5.352 -7.008 1.00 94.77 147 A 1 ATOM 1209 C CA . PRO A 1 147 ? 10.178 -6.272 -7.802 1.00 93.13 147 A 1 ATOM 1210 C C . PRO A 1 147 ? 11.318 -5.514 -8.475 1.00 91.38 147 A 1 ATOM 1211 O O . PRO A 1 147 ? 11.200 -4.322 -8.741 1.00 86.40 147 A 1 ATOM 1212 C CB . PRO A 1 147 ? 9.186 -6.820 -8.824 1.00 91.26 147 A 1 ATOM 1213 C CG . PRO A 1 147 ? 7.876 -6.761 -8.108 1.00 90.71 147 A 1 ATOM 1214 C CD . PRO A 1 147 ? 7.942 -5.426 -7.414 1.00 93.90 147 A 1 ATOM 1215 N N . ARG A 1 148 ? 12.421 -6.212 -8.744 1.00 88.63 148 A 1 ATOM 1216 C CA . ARG A 1 148 ? 13.561 -5.585 -9.401 1.00 85.00 148 A 1 ATOM 1217 C C . ARG A 1 148 ? 13.176 -5.187 -10.823 1.00 80.84 148 A 1 ATOM 1218 O O . ARG A 1 148 ? 13.057 -6.029 -11.710 1.00 69.63 148 A 1 ATOM 1219 C CB . ARG A 1 148 ? 14.745 -6.548 -9.430 1.00 79.01 148 A 1 ATOM 1220 C CG . ARG A 1 148 ? 15.289 -6.879 -8.050 1.00 67.36 148 A 1 ATOM 1221 C CD . ARG A 1 148 ? 16.374 -7.937 -8.127 1.00 62.95 148 A 1 ATOM 1222 N NE . ARG A 1 148 ? 17.476 -7.529 -8.979 1.00 54.42 148 A 1 ATOM 1223 C CZ . ARG A 1 148 ? 18.508 -8.305 -9.295 1.00 47.84 148 A 1 ATOM 1224 N NH1 . ARG A 1 148 ? 18.582 -9.534 -8.832 1.00 44.78 148 A 1 ATOM 1225 N NH2 . ARG A 1 148 ? 19.469 -7.844 -10.083 1.00 41.63 148 A 1 ATOM 1226 N N . LYS A 1 149 ? 12.976 -3.892 -11.024 1.00 74.24 149 A 1 ATOM 1227 C CA . LYS A 1 149 ? 12.559 -3.369 -12.317 1.00 70.26 149 A 1 ATOM 1228 C C . LYS A 1 149 ? 12.981 -1.909 -12.395 1.00 67.76 149 A 1 ATOM 1229 O O . LYS A 1 149 ? 12.553 -1.089 -11.588 1.00 60.48 149 A 1 ATOM 1230 C CB . LYS A 1 149 ? 11.038 -3.472 -12.442 1.00 63.56 149 A 1 ATOM 1231 C CG . LYS A 1 149 ? 10.461 -3.189 -13.817 1.00 59.36 149 A 1 ATOM 1232 C CD . LYS A 1 149 ? 10.660 -4.370 -14.747 1.00 56.78 149 A 1 ATOM 1233 C CE . LYS A 1 149 ? 9.889 -4.168 -16.038 1.00 52.12 149 A 1 ATOM 1234 N NZ . LYS A 1 149 ? 9.971 -5.338 -16.950 1.00 48.57 149 A 1 ATOM 1235 N N . HIS A 1 150 ? 13.832 -1.591 -13.372 1.00 60.79 150 A 1 ATOM 1236 C CA . HIS A 1 150 ? 14.296 -0.219 -13.528 1.00 57.73 150 A 1 ATOM 1237 C C . HIS A 1 150 ? 14.251 0.224 -14.980 1.00 56.63 150 A 1 ATOM 1238 O O . HIS A 1 150 ? 14.709 -0.493 -15.869 1.00 51.72 150 A 1 ATOM 1239 C CB . HIS A 1 150 ? 15.727 -0.076 -12.997 1.00 52.62 150 A 1 ATOM 1240 C CG . HIS A 1 150 ? 16.239 1.333 -13.015 1.00 49.42 150 A 1 ATOM 1241 N ND1 . HIS A 1 150 ? 15.689 2.326 -12.243 1.00 45.66 150 A 1 ATOM 1242 C CD2 . HIS A 1 150 ? 17.234 1.909 -13.724 1.00 44.62 150 A 1 ATOM 1243 C CE1 . HIS A 1 150 ? 16.324 3.460 -12.476 1.00 42.95 150 A 1 ATOM 1244 N NE2 . HIS A 1 150 ? 17.270 3.236 -13.366 1.00 42.95 150 A 1 ATOM 1245 N N . HIS A 1 151 ? 13.701 1.410 -15.211 1.00 54.26 151 A 1 ATOM 1246 C CA . HIS A 1 151 ? 13.609 1.961 -16.554 1.00 52.81 151 A 1 ATOM 1247 C C . HIS A 1 151 ? 14.893 2.734 -16.853 1.00 51.67 151 A 1 ATOM 1248 O O . HIS A 1 151 ? 15.309 3.578 -16.066 1.00 48.47 151 A 1 ATOM 1249 C CB . HIS A 1 151 ? 12.393 2.890 -16.653 1.00 49.32 151 A 1 ATOM 1250 C CG . HIS A 1 151 ? 12.073 3.314 -18.055 1.00 46.73 151 A 1 ATOM 1251 N ND1 . HIS A 1 151 ? 12.005 2.430 -19.101 1.00 43.95 151 A 1 ATOM 1252 C CD2 . HIS A 1 151 ? 11.788 4.533 -18.567 1.00 42.84 151 A 1 ATOM 1253 C CE1 . HIS A 1 151 ? 11.701 3.086 -20.206 1.00 41.79 151 A 1 ATOM 1254 N NE2 . HIS A 1 151 ? 11.553 4.360 -19.906 1.00 41.65 151 A 1 ATOM 1255 N N . HIS A 1 152 ? 15.509 2.429 -17.994 1.00 50.09 152 A 1 ATOM 1256 C CA . HIS A 1 152 ? 16.765 3.076 -18.372 1.00 49.96 152 A 1 ATOM 1257 C C . HIS A 1 152 ? 16.663 4.583 -18.562 1.00 48.87 152 A 1 ATOM 1258 O O . HIS A 1 152 ? 17.641 5.307 -18.380 1.00 45.74 152 A 1 ATOM 1259 C CB . HIS A 1 152 ? 17.320 2.448 -19.659 1.00 47.00 152 A 1 ATOM 1260 C CG . HIS A 1 152 ? 16.440 2.642 -20.855 1.00 43.49 152 A 1 ATOM 1261 N ND1 . HIS A 1 152 ? 15.241 2.002 -21.008 1.00 40.35 152 A 1 ATOM 1262 C CD2 . HIS A 1 152 ? 16.604 3.411 -21.957 1.00 39.53 152 A 1 ATOM 1263 C CE1 . HIS A 1 152 ? 14.687 2.371 -22.147 1.00 38.27 152 A 1 ATOM 1264 N NE2 . HIS A 1 152 ? 15.494 3.223 -22.746 1.00 38.32 152 A 1 ATOM 1265 N N . HIS A 1 153 ? 15.479 5.057 -18.941 1.00 46.74 153 A 1 ATOM 1266 C CA . HIS A 1 153 ? 15.274 6.485 -19.157 1.00 47.30 153 A 1 ATOM 1267 C C . HIS A 1 153 ? 14.286 7.081 -18.158 1.00 46.33 153 A 1 ATOM 1268 O O . HIS A 1 153 ? 13.188 6.559 -17.988 1.00 43.27 153 A 1 ATOM 1269 C CB . HIS A 1 153 ? 14.760 6.721 -20.582 1.00 44.94 153 A 1 ATOM 1270 C CG . HIS A 1 153 ? 14.520 8.164 -20.908 1.00 41.16 153 A 1 ATOM 1271 N ND1 . HIS A 1 153 ? 15.535 9.080 -21.011 1.00 38.01 153 A 1 ATOM 1272 C CD2 . HIS A 1 153 ? 13.373 8.840 -21.136 1.00 37.28 153 A 1 ATOM 1273 C CE1 . HIS A 1 153 ? 15.027 10.265 -21.287 1.00 36.21 153 A 1 ATOM 1274 N NE2 . HIS A 1 153 ? 13.714 10.150 -21.373 1.00 36.30 153 A 1 ATOM 1275 N N . HIS A 1 154 ? 14.686 8.167 -17.512 1.00 44.71 154 A 1 ATOM 1276 C CA . HIS A 1 154 ? 13.815 8.829 -16.542 1.00 45.51 154 A 1 ATOM 1277 C C . HIS A 1 154 ? 13.207 10.091 -17.149 1.00 44.36 154 A 1 ATOM 1278 O O . HIS A 1 154 ? 13.815 10.732 -18.007 1.00 41.54 154 A 1 ATOM 1279 C CB . HIS A 1 154 ? 14.600 9.169 -15.264 1.00 43.86 154 A 1 ATOM 1280 C CG . HIS A 1 154 ? 15.679 10.184 -15.469 1.00 40.73 154 A 1 ATOM 1281 N ND1 . HIS A 1 154 ? 15.423 11.522 -15.609 1.00 37.67 154 A 1 ATOM 1282 C CD2 . HIS A 1 154 ? 17.021 10.044 -15.537 1.00 37.03 154 A 1 ATOM 1283 C CE1 . HIS A 1 154 ? 16.557 12.172 -15.770 1.00 36.17 154 A 1 ATOM 1284 N NE2 . HIS A 1 154 ? 17.551 11.291 -15.731 1.00 36.17 154 A 1 ATOM 1285 N N . HIS A 1 155 ? 12.015 10.413 -16.707 1.00 40.75 155 A 1 ATOM 1286 C CA . HIS A 1 155 ? 11.312 11.591 -17.219 1.00 41.78 155 A 1 ATOM 1287 C C . HIS A 1 155 ? 11.444 12.780 -16.271 1.00 39.72 155 A 1 ATOM 1288 O O . HIS A 1 155 ? 11.020 13.883 -16.630 1.00 36.36 155 A 1 ATOM 1289 C CB . HIS A 1 155 ? 9.835 11.254 -17.439 1.00 39.83 155 A 1 ATOM 1290 C CG . HIS A 1 155 ? 9.602 10.252 -18.532 1.00 37.56 155 A 1 ATOM 1291 N ND1 . HIS A 1 155 ? 9.333 10.620 -19.827 1.00 32.90 155 A 1 ATOM 1292 C CD2 . HIS A 1 155 ? 9.605 8.909 -18.516 1.00 31.87 155 A 1 ATOM 1293 C CE1 . HIS A 1 155 ? 9.182 9.537 -20.564 1.00 31.77 155 A 1 ATOM 1294 N NE2 . HIS A 1 155 ? 9.342 8.477 -19.795 1.00 33.26 155 A 1 ATOM 1295 O OXT . HIS A 1 155 ? 11.968 12.630 -15.179 1.00 31.87 155 A 1 #