# 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 89.07 _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 64.01 1 1 A LYS 2 2 75.66 1 2 A MET 3 2 81.12 1 3 A TYR 4 2 94.33 1 4 A ASP 5 2 95.70 1 5 A ALA 6 2 97.15 1 6 A TYR 7 2 91.19 1 7 A ILE 8 2 97.33 1 8 A SER 9 2 98.20 1 9 A TYR 10 2 98.15 1 10 A VAL 11 2 95.97 1 11 A ASN 12 2 93.67 1 12 A ASN 13 2 93.28 1 13 A GLU 14 2 91.02 1 14 A ASN 15 2 88.12 1 15 A ASP 16 2 97.49 1 16 A ARG 17 2 87.06 1 17 A LYS 18 2 92.55 1 18 A PHE 19 2 98.16 1 19 A VAL 20 2 98.37 1 20 A ASN 21 2 94.09 1 21 A PHE 22 2 93.63 1 22 A ILE 23 2 97.29 1 23 A LEU 24 2 97.91 1 24 A LYS 25 2 93.79 1 25 A PRO 26 2 97.16 1 26 A HIS 27 2 90.09 1 27 A LEU 28 2 96.64 1 28 A GLU 29 2 95.74 1 29 A ASN 30 2 92.32 1 30 A LYS 31 2 84.43 1 31 A TYR 32 2 86.70 1 32 A SER 33 2 92.68 1 33 A HIS 34 2 93.58 1 34 A LYS 35 2 87.75 1 35 A LEU 36 2 97.17 1 36 A LEU 37 2 93.54 1 37 A LEU 38 2 95.02 1 38 A ASN 39 2 90.80 1 39 A ASP 40 2 95.97 1 40 A THR 41 2 92.89 1 41 A ASN 42 2 94.95 1 42 A ILE 43 2 96.45 1 43 A LEU 44 2 96.87 1 44 A PRO 45 2 95.90 1 45 A GLY 46 2 95.20 1 46 A ALA 47 2 95.63 1 47 A GLU 48 2 92.96 1 48 A PRO 49 2 97.28 1 49 A SER 50 2 96.96 1 50 A ALA 51 2 96.31 1 51 A GLU 52 2 85.74 1 52 A LEU 53 2 96.21 1 53 A LEU 54 2 95.44 1 54 A MET 55 2 85.56 1 55 A ASN 56 2 88.28 1 56 A ILE 57 2 87.56 1 57 A SER 58 2 91.95 1 58 A ARG 59 2 86.16 1 59 A CYS 60 2 95.53 1 60 A GLN 61 2 89.90 1 61 A ARG 62 2 92.02 1 62 A LEU 63 2 97.35 1 63 A ILE 64 2 98.23 1 64 A VAL 65 2 98.27 1 65 A VAL 66 2 98.43 1 66 A LEU 67 2 96.31 1 67 A SER 68 2 97.48 1 68 A GLN 69 2 84.36 1 69 A SER 70 2 95.07 1 70 A TYR 71 2 97.62 1 71 A LEU 72 2 96.11 1 72 A GLU 73 2 91.12 1 73 A GLN 74 2 94.26 1 74 A GLU 75 2 86.65 1 75 A TRP 76 2 95.59 1 76 A CYS 77 2 96.06 1 77 A THR 78 2 93.89 1 78 A THR 79 2 92.79 1 79 A ASN 80 2 89.02 1 80 A PHE 81 2 96.57 1 81 A ARG 82 2 82.24 1 82 A GLN 83 2 88.58 1 83 A GLY 84 2 97.77 1 84 A LEU 85 2 96.98 1 85 A TRP 86 2 77.57 1 86 A HIS 87 2 94.63 1 87 A LEU 88 2 97.38 1 88 A ILE 89 2 96.74 1 89 A GLU 90 2 85.07 1 90 A LEU 91 2 94.53 1 91 A SER 92 2 89.66 1 92 A ARG 93 2 70.32 1 93 A LYS 94 2 90.96 1 94 A PRO 95 2 97.24 1 95 A ILE 96 2 98.08 1 96 A PHE 97 2 97.32 1 97 A ILE 98 2 98.20 1 98 A ILE 99 2 91.45 1 99 A PHE 100 2 97.05 1 100 A GLN 101 2 89.08 1 101 A SER 102 2 93.77 1 102 A GLN 103 2 91.69 1 103 A GLN 104 2 80.99 1 104 A LYS 105 2 81.64 1 105 A GLN 106 2 82.32 1 106 A ILE 107 2 89.38 1 107 A SER 108 2 91.77 1 108 A GLN 109 2 83.65 1 109 A ASP 110 2 86.17 1 110 A ILE 111 2 94.59 1 111 A SER 112 2 91.68 1 112 A GLN 113 2 85.38 1 113 A GLN 114 2 89.48 1 114 A LEU 115 2 95.24 1 115 A ARG 116 2 79.01 1 116 A GLN 117 2 86.65 1 117 A HIS 118 2 90.31 1 118 A GLN 119 2 81.89 1 119 A PRO 120 2 93.43 1 120 A SER 121 2 95.55 1 121 A ILE 122 2 97.01 1 122 A THR 123 2 96.81 1 123 A MET 124 2 89.69 1 124 A ILE 125 2 96.60 1 125 A THR 126 2 95.91 1 126 A TRP 127 2 97.78 1 127 A GLY 128 2 97.03 1 128 A ALA 129 2 92.55 1 129 A HIS 130 2 85.14 1 130 A SER 131 2 97.25 1 131 A MET 132 2 88.74 1 132 A THR 133 2 92.04 1 133 A PRO 134 2 92.63 1 134 A SER 135 2 94.11 1 135 A SER 136 2 97.11 1 136 A GLY 137 2 97.25 1 137 A PHE 138 2 98.08 1 138 A TRP 139 2 97.40 1 139 A LYS 140 2 90.03 1 140 A GLU 141 2 90.48 1 141 A LEU 142 2 97.39 1 142 A ALA 143 2 95.75 1 143 A LEU 144 2 90.87 1 144 A VAL 145 2 95.28 1 145 A MET 146 2 94.65 1 146 A PRO 147 2 91.62 1 147 A ARG 148 2 65.55 1 148 A LYS 149 2 61.83 1 149 A HIS 150 2 46.80 1 150 A HIS 151 2 43.42 1 151 A HIS 152 2 39.32 1 152 A HIS 153 2 36.94 1 153 A HIS 154 2 36.68 1 154 A HIS 155 2 31.88 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 ? 19.910 3.162 -12.421 1.00 65.20 1 A 1 ATOM 2 C CA . MET A 1 1 ? 18.463 3.097 -12.693 1.00 73.90 1 A 1 ATOM 3 C C . MET A 1 1 ? 17.885 2.006 -11.811 1.00 78.25 1 A 1 ATOM 4 O O . MET A 1 1 ? 18.467 0.931 -11.746 1.00 74.01 1 A 1 ATOM 5 C CB . MET A 1 1 ? 18.230 2.832 -14.181 1.00 65.52 1 A 1 ATOM 6 C CG . MET A 1 1 ? 16.756 2.824 -14.589 1.00 56.89 1 A 1 ATOM 7 S SD . MET A 1 1 ? 16.581 2.780 -16.394 1.00 52.43 1 A 1 ATOM 8 C CE . MET A 1 1 ? 14.903 2.131 -16.555 1.00 45.88 1 A 1 ATOM 9 N N . LYS A 1 2 ? 16.797 2.278 -11.078 1.00 75.79 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 16.173 1.250 -10.237 1.00 81.45 2 A 1 ATOM 11 C C . LYS A 1 2 ? 15.516 0.199 -11.138 1.00 83.52 2 A 1 ATOM 12 O O . LYS A 1 2 ? 14.900 0.552 -12.135 1.00 80.93 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 15.205 1.874 -9.230 1.00 76.41 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 15.935 2.710 -8.164 1.00 75.59 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 15.015 3.127 -7.012 1.00 73.53 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 15.788 3.789 -5.869 1.00 69.91 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 15.013 3.851 -4.604 1.00 63.77 2 A 1 ATOM 18 N N . MET A 1 3 ? 15.686 -1.077 -10.785 1.00 88.47 3 A 1 ATOM 19 C CA . MET A 1 3 ? 15.257 -2.198 -11.630 1.00 90.54 3 A 1 ATOM 20 C C . MET A 1 3 ? 13.741 -2.432 -11.572 1.00 92.42 3 A 1 ATOM 21 O O . MET A 1 3 ? 13.139 -2.879 -12.546 1.00 89.86 3 A 1 ATOM 22 C CB . MET A 1 3 ? 16.035 -3.444 -11.172 1.00 84.86 3 A 1 ATOM 23 C CG . MET A 1 3 ? 15.848 -4.641 -12.109 1.00 74.14 3 A 1 ATOM 24 S SD . MET A 1 3 ? 16.707 -6.146 -11.563 1.00 68.66 3 A 1 ATOM 25 C CE . MET A 1 3 ? 18.438 -5.638 -11.681 1.00 60.01 3 A 1 ATOM 26 N N . TYR A 1 4 ? 13.141 -2.105 -10.427 1.00 95.97 4 A 1 ATOM 27 C CA . TYR A 1 4 ? 11.718 -2.281 -10.165 1.00 96.50 4 A 1 ATOM 28 C C . TYR A 1 4 ? 11.048 -0.943 -9.858 1.00 96.57 4 A 1 ATOM 29 O O . TYR A 1 4 ? 11.657 -0.039 -9.273 1.00 95.73 4 A 1 ATOM 30 C CB . TYR A 1 4 ? 11.527 -3.275 -9.017 1.00 96.16 4 A 1 ATOM 31 C CG . TYR A 1 4 ? 12.117 -4.642 -9.277 1.00 95.65 4 A 1 ATOM 32 C CD1 . TYR A 1 4 ? 11.396 -5.598 -10.015 1.00 93.84 4 A 1 ATOM 33 C CD2 . TYR A 1 4 ? 13.403 -4.969 -8.795 1.00 93.74 4 A 1 ATOM 34 C CE1 . TYR A 1 4 ? 11.939 -6.866 -10.264 1.00 92.20 4 A 1 ATOM 35 C CE2 . TYR A 1 4 ? 13.959 -6.234 -9.041 1.00 92.43 4 A 1 ATOM 36 C CZ . TYR A 1 4 ? 13.220 -7.182 -9.777 1.00 92.72 4 A 1 ATOM 37 O OH . TYR A 1 4 ? 13.759 -8.423 -10.020 1.00 90.40 4 A 1 ATOM 38 N N . ASP A 1 5 ? 9.777 -0.844 -10.231 1.00 97.01 5 A 1 ATOM 39 C CA . ASP A 1 5 ? 8.962 0.339 -9.965 1.00 96.98 5 A 1 ATOM 40 C C . ASP A 1 5 ? 8.464 0.362 -8.513 1.00 96.98 5 A 1 ATOM 41 O O . ASP A 1 5 ? 8.424 1.423 -7.886 1.00 96.50 5 A 1 ATOM 42 C CB . ASP A 1 5 ? 7.792 0.376 -10.953 1.00 96.69 5 A 1 ATOM 43 C CG . ASP A 1 5 ? 8.240 0.494 -12.414 1.00 95.72 5 A 1 ATOM 44 O OD1 . ASP A 1 5 ? 9.018 1.416 -12.730 1.00 93.19 5 A 1 ATOM 45 O OD2 . ASP A 1 5 ? 7.794 -0.332 -13.244 1.00 92.51 5 A 1 ATOM 46 N N . ALA A 1 6 ? 8.127 -0.813 -7.964 1.00 97.23 6 A 1 ATOM 47 C CA . ALA A 1 6 ? 7.736 -0.934 -6.567 1.00 97.29 6 A 1 ATOM 48 C C . ALA A 1 6 ? 8.175 -2.253 -5.927 1.00 97.37 6 A 1 ATOM 49 O O . ALA A 1 6 ? 8.194 -3.307 -6.557 1.00 96.93 6 A 1 ATOM 50 C CB . ALA A 1 6 ? 6.224 -0.739 -6.438 1.00 96.95 6 A 1 ATOM 51 N N . TYR A 1 7 ? 8.476 -2.164 -4.644 1.00 97.01 7 A 1 ATOM 52 C CA . TYR A 1 7 ? 8.577 -3.283 -3.715 1.00 97.17 7 A 1 ATOM 53 C C . TYR A 1 7 ? 7.265 -3.393 -2.934 1.00 97.44 7 A 1 ATOM 54 O O . TYR A 1 7 ? 6.806 -2.396 -2.389 1.00 97.09 7 A 1 ATOM 55 C CB . TYR A 1 7 ? 9.773 -3.037 -2.793 1.00 96.21 7 A 1 ATOM 56 C CG . TYR A 1 7 ? 9.907 -4.022 -1.656 1.00 94.55 7 A 1 ATOM 57 C CD1 . TYR A 1 7 ? 10.067 -3.555 -0.336 1.00 90.63 7 A 1 ATOM 58 C CD2 . TYR A 1 7 ? 9.870 -5.404 -1.900 1.00 89.71 7 A 1 ATOM 59 C CE1 . TYR A 1 7 ? 10.219 -4.457 0.720 1.00 85.22 7 A 1 ATOM 60 C CE2 . TYR A 1 7 ? 10.014 -6.318 -0.845 1.00 84.95 7 A 1 ATOM 61 C CZ . TYR A 1 7 ? 10.199 -5.838 0.463 1.00 84.49 7 A 1 ATOM 62 O OH . TYR A 1 7 ? 10.372 -6.725 1.487 1.00 79.79 7 A 1 ATOM 63 N N . ILE A 1 8 ? 6.667 -4.576 -2.898 1.00 97.76 8 A 1 ATOM 64 C CA . ILE A 1 8 ? 5.414 -4.835 -2.188 1.00 98.02 8 A 1 ATOM 65 C C . ILE A 1 8 ? 5.712 -5.735 -0.992 1.00 97.99 8 A 1 ATOM 66 O O . ILE A 1 8 ? 6.032 -6.908 -1.173 1.00 97.72 8 A 1 ATOM 67 C CB . ILE A 1 8 ? 4.336 -5.436 -3.117 1.00 98.05 8 A 1 ATOM 68 C CG1 . ILE A 1 8 ? 4.124 -4.538 -4.359 1.00 97.07 8 A 1 ATOM 69 C CG2 . ILE A 1 8 ? 3.023 -5.629 -2.337 1.00 97.44 8 A 1 ATOM 70 C CD1 . ILE A 1 8 ? 3.062 -5.048 -5.340 1.00 94.61 8 A 1 ATOM 71 N N . SER A 1 9 ? 5.564 -5.190 0.204 1.00 98.28 9 A 1 ATOM 72 C CA . SER A 1 9 ? 5.627 -5.936 1.459 1.00 98.38 9 A 1 ATOM 73 C C . SER A 1 9 ? 4.219 -6.311 1.908 1.00 98.49 9 A 1 ATOM 74 O O . SER A 1 9 ? 3.339 -5.450 1.998 1.00 98.39 9 A 1 ATOM 75 C CB . SER A 1 9 ? 6.339 -5.108 2.531 1.00 98.22 9 A 1 ATOM 76 O OG . SER A 1 9 ? 6.376 -5.805 3.759 1.00 97.44 9 A 1 ATOM 77 N N . TYR A 1 10 ? 4.005 -7.590 2.194 1.00 98.54 10 A 1 ATOM 78 C CA . TYR A 1 10 ? 2.726 -8.113 2.668 1.00 98.62 10 A 1 ATOM 79 C C . TYR A 1 10 ? 2.945 -9.349 3.549 1.00 98.51 10 A 1 ATOM 80 O O . TYR A 1 10 ? 4.020 -9.941 3.536 1.00 98.23 10 A 1 ATOM 81 C CB . TYR A 1 10 ? 1.817 -8.436 1.468 1.00 98.59 10 A 1 ATOM 82 C CG . TYR A 1 10 ? 2.244 -9.624 0.628 1.00 98.58 10 A 1 ATOM 83 C CD1 . TYR A 1 10 ? 3.337 -9.527 -0.261 1.00 98.38 10 A 1 ATOM 84 C CD2 . TYR A 1 10 ? 1.555 -10.848 0.733 1.00 98.30 10 A 1 ATOM 85 C CE1 . TYR A 1 10 ? 3.741 -10.633 -1.023 1.00 97.92 10 A 1 ATOM 86 C CE2 . TYR A 1 10 ? 1.949 -11.963 -0.027 1.00 97.83 10 A 1 ATOM 87 C CZ . TYR A 1 10 ? 3.044 -11.851 -0.900 1.00 97.72 10 A 1 ATOM 88 O OH . TYR A 1 10 ? 3.440 -12.946 -1.632 1.00 96.63 10 A 1 ATOM 89 N N . VAL A 1 11 ? 1.918 -9.762 4.294 1.00 98.36 11 A 1 ATOM 90 C CA . VAL A 1 11 ? 1.948 -11.031 5.038 1.00 98.17 11 A 1 ATOM 91 C C . VAL A 1 11 ? 1.273 -12.143 4.247 1.00 98.17 11 A 1 ATOM 92 O O . VAL A 1 11 ? 0.276 -11.928 3.553 1.00 97.39 11 A 1 ATOM 93 C CB . VAL A 1 11 ? 1.348 -10.915 6.450 1.00 97.07 11 A 1 ATOM 94 C CG1 . VAL A 1 11 ? 2.276 -10.089 7.340 1.00 89.95 11 A 1 ATOM 95 C CG2 . VAL A 1 11 ? -0.048 -10.311 6.457 1.00 92.71 11 A 1 ATOM 96 N N . ASN A 1 12 ? 1.808 -13.352 4.358 1.00 97.63 12 A 1 ATOM 97 C CA . ASN A 1 12 ? 1.335 -14.514 3.605 1.00 97.13 12 A 1 ATOM 98 C C . ASN A 1 12 ? 0.158 -15.227 4.296 1.00 96.79 12 A 1 ATOM 99 O O . ASN A 1 12 ? 0.223 -16.406 4.637 1.00 94.53 12 A 1 ATOM 100 C CB . ASN A 1 12 ? 2.538 -15.424 3.306 1.00 95.42 12 A 1 ATOM 101 C CG . ASN A 1 12 ? 2.260 -16.458 2.229 1.00 93.45 12 A 1 ATOM 102 O OD1 . ASN A 1 12 ? 1.173 -16.617 1.698 1.00 88.50 12 A 1 ATOM 103 N ND2 . ASN A 1 12 ? 3.288 -17.185 1.843 1.00 85.90 12 A 1 ATOM 104 N N . ASN A 1 13 ? -0.943 -14.528 4.499 1.00 97.21 13 A 1 ATOM 105 C CA . ASN A 1 13 ? -2.238 -15.130 4.789 1.00 96.59 13 A 1 ATOM 106 C C . ASN A 1 13 ? -3.082 -15.221 3.506 1.00 97.17 13 A 1 ATOM 107 O O . ASN A 1 13 ? -2.752 -14.640 2.470 1.00 96.28 13 A 1 ATOM 108 C CB . ASN A 1 13 ? -2.928 -14.390 5.949 1.00 94.14 13 A 1 ATOM 109 C CG . ASN A 1 13 ? -3.452 -13.026 5.552 1.00 93.00 13 A 1 ATOM 110 O OD1 . ASN A 1 13 ? -4.208 -12.869 4.607 1.00 86.00 13 A 1 ATOM 111 N ND2 . ASN A 1 13 ? -3.079 -12.002 6.282 1.00 85.82 13 A 1 ATOM 112 N N . GLU A 1 14 ? -4.179 -15.972 3.563 1.00 97.17 14 A 1 ATOM 113 C CA . GLU A 1 14 ? -4.976 -16.237 2.365 1.00 97.22 14 A 1 ATOM 114 C C . GLU A 1 14 ? -5.565 -14.961 1.738 1.00 97.27 14 A 1 ATOM 115 O O . GLU A 1 14 ? -5.511 -14.790 0.514 1.00 96.43 14 A 1 ATOM 116 C CB . GLU A 1 14 ? -6.081 -17.246 2.710 1.00 96.59 14 A 1 ATOM 117 C CG . GLU A 1 14 ? -6.840 -17.657 1.447 1.00 90.10 14 A 1 ATOM 118 C CD . GLU A 1 14 ? -7.939 -18.696 1.677 1.00 85.26 14 A 1 ATOM 119 O OE1 . GLU A 1 14 ? -8.581 -19.037 0.653 1.00 79.82 14 A 1 ATOM 120 O OE2 . GLU A 1 14 ? -8.160 -19.122 2.823 1.00 79.32 14 A 1 ATOM 121 N N . ASN A 1 15 ? -6.114 -14.068 2.564 1.00 96.88 15 A 1 ATOM 122 C CA . ASN A 1 15 ? -6.744 -12.839 2.088 1.00 96.56 15 A 1 ATOM 123 C C . ASN A 1 15 ? -5.725 -11.900 1.436 1.00 97.29 15 A 1 ATOM 124 O O . ASN A 1 15 ? -5.902 -11.479 0.289 1.00 97.18 15 A 1 ATOM 125 C CB . ASN A 1 15 ? -7.465 -12.163 3.261 1.00 95.02 15 A 1 ATOM 126 C CG . ASN A 1 15 ? -8.166 -10.899 2.806 1.00 81.06 15 A 1 ATOM 127 O OD1 . ASN A 1 15 ? -9.122 -10.947 2.054 1.00 71.29 15 A 1 ATOM 128 N ND2 . ASN A 1 15 ? -7.689 -9.743 3.214 1.00 69.66 15 A 1 ATOM 129 N N . ASP A 1 16 ? -4.644 -11.628 2.130 1.00 97.75 16 A 1 ATOM 130 C CA . ASP A 1 16 ? -3.642 -10.660 1.688 1.00 98.18 16 A 1 ATOM 131 C C . ASP A 1 16 ? -2.854 -11.203 0.493 1.00 98.37 16 A 1 ATOM 132 O O . ASP A 1 16 ? -2.639 -10.487 -0.489 1.00 98.24 16 A 1 ATOM 133 C CB . ASP A 1 16 ? -2.717 -10.299 2.858 1.00 98.00 16 A 1 ATOM 134 C CG . ASP A 1 16 ? -3.431 -9.614 4.027 1.00 97.66 16 A 1 ATOM 135 O OD1 . ASP A 1 16 ? -4.663 -9.390 3.974 1.00 96.14 16 A 1 ATOM 136 O OD2 . ASP A 1 16 ? -2.737 -9.308 5.014 1.00 95.55 16 A 1 ATOM 137 N N . ARG A 1 17 ? -2.526 -12.499 0.500 1.00 98.28 17 A 1 ATOM 138 C CA . ARG A 1 17 ? -1.912 -13.178 -0.647 1.00 98.22 17 A 1 ATOM 139 C C . ARG A 1 17 ? -2.807 -13.124 -1.884 1.00 98.25 17 A 1 ATOM 140 O O . ARG A 1 17 ? -2.311 -12.854 -2.980 1.00 97.92 17 A 1 ATOM 141 C CB . ARG A 1 17 ? -1.577 -14.624 -0.260 1.00 97.44 17 A 1 ATOM 142 C CG . ARG A 1 17 ? -0.866 -15.378 -1.393 1.00 93.14 17 A 1 ATOM 143 C CD . ARG A 1 17 ? -0.506 -16.803 -0.962 1.00 89.95 17 A 1 ATOM 144 N NE . ARG A 1 17 ? -1.709 -17.619 -0.708 1.00 80.53 17 A 1 ATOM 145 C CZ . ARG A 1 17 ? -1.734 -18.826 -0.165 1.00 73.06 17 A 1 ATOM 146 N NH1 . ARG A 1 17 ? -0.636 -19.438 0.190 1.00 65.11 17 A 1 ATOM 147 N NH2 . ARG A 1 17 ? -2.869 -19.439 0.033 1.00 65.74 17 A 1 ATOM 148 N N . LYS A 1 18 ? -4.110 -13.368 -1.735 1.00 98.25 18 A 1 ATOM 149 C CA . LYS A 1 18 ? -5.070 -13.241 -2.842 1.00 98.12 18 A 1 ATOM 150 C C . LYS A 1 18 ? -5.147 -11.801 -3.340 1.00 98.16 18 A 1 ATOM 151 O O . LYS A 1 18 ? -5.059 -11.577 -4.547 1.00 97.89 18 A 1 ATOM 152 C CB . LYS A 1 18 ? -6.460 -13.744 -2.418 1.00 97.82 18 A 1 ATOM 153 C CG . LYS A 1 18 ? -6.560 -15.278 -2.444 1.00 93.57 18 A 1 ATOM 154 C CD . LYS A 1 18 ? -7.936 -15.728 -1.932 1.00 90.76 18 A 1 ATOM 155 C CE . LYS A 1 18 ? -8.065 -17.255 -2.005 1.00 82.75 18 A 1 ATOM 156 N NZ . LYS A 1 18 ? -9.334 -17.742 -1.396 1.00 75.60 18 A 1 ATOM 157 N N . PHE A 1 19 ? -5.251 -10.838 -2.441 1.00 98.13 19 A 1 ATOM 158 C CA . PHE A 1 19 ? -5.272 -9.425 -2.810 1.00 98.23 19 A 1 ATOM 159 C C . PHE A 1 19 ? -4.018 -9.023 -3.599 1.00 98.28 19 A 1 ATOM 160 O O . PHE A 1 19 ? -4.125 -8.462 -4.691 1.00 98.21 19 A 1 ATOM 161 C CB . PHE A 1 19 ? -5.433 -8.572 -1.547 1.00 98.18 19 A 1 ATOM 162 C CG . PHE A 1 19 ? -5.312 -7.089 -1.825 1.00 98.34 19 A 1 ATOM 163 C CD1 . PHE A 1 19 ? -4.140 -6.390 -1.478 1.00 98.18 19 A 1 ATOM 164 C CD2 . PHE A 1 19 ? -6.350 -6.413 -2.491 1.00 98.20 19 A 1 ATOM 165 C CE1 . PHE A 1 19 ? -4.011 -5.026 -1.787 1.00 98.00 19 A 1 ATOM 166 C CE2 . PHE A 1 19 ? -6.226 -5.050 -2.804 1.00 97.93 19 A 1 ATOM 167 C CZ . PHE A 1 19 ? -5.056 -4.357 -2.449 1.00 98.05 19 A 1 ATOM 168 N N . VAL A 1 20 ? -2.841 -9.375 -3.103 1.00 98.56 20 A 1 ATOM 169 C CA . VAL A 1 20 ? -1.577 -9.038 -3.770 1.00 98.59 20 A 1 ATOM 170 C C . VAL A 1 20 ? -1.446 -9.744 -5.118 1.00 98.50 20 A 1 ATOM 171 O O . VAL A 1 20 ? -1.210 -9.082 -6.128 1.00 98.35 20 A 1 ATOM 172 C CB . VAL A 1 20 ? -0.380 -9.335 -2.849 1.00 98.54 20 A 1 ATOM 173 C CG1 . VAL A 1 20 ? 0.962 -9.185 -3.570 1.00 98.00 20 A 1 ATOM 174 C CG2 . VAL A 1 20 ? -0.377 -8.355 -1.670 1.00 98.08 20 A 1 ATOM 175 N N . ASN A 1 21 ? -1.629 -11.068 -5.163 1.00 98.41 21 A 1 ATOM 176 C CA . ASN A 1 21 ? -1.330 -11.851 -6.364 1.00 98.16 21 A 1 ATOM 177 C C . ASN A 1 21 ? -2.415 -11.798 -7.441 1.00 98.08 21 A 1 ATOM 178 O O . ASN A 1 21 ? -2.089 -11.929 -8.620 1.00 97.32 21 A 1 ATOM 179 C CB . ASN A 1 21 ? -1.016 -13.300 -5.973 1.00 97.66 21 A 1 ATOM 180 C CG . ASN A 1 21 ? 0.340 -13.408 -5.304 1.00 94.77 21 A 1 ATOM 181 O OD1 . ASN A 1 21 ? 1.373 -13.319 -5.945 1.00 85.41 21 A 1 ATOM 182 N ND2 . ASN A 1 21 ? 0.373 -13.568 -4.003 1.00 82.92 21 A 1 ATOM 183 N N . PHE A 1 22 ? -3.684 -11.609 -7.068 1.00 97.94 22 A 1 ATOM 184 C CA . PHE A 1 22 ? -4.800 -11.641 -8.018 1.00 97.77 22 A 1 ATOM 185 C C . PHE A 1 22 ? -5.417 -10.274 -8.307 1.00 97.70 22 A 1 ATOM 186 O O . PHE A 1 22 ? -6.142 -10.142 -9.294 1.00 96.76 22 A 1 ATOM 187 C CB . PHE A 1 22 ? -5.860 -12.647 -7.545 1.00 97.35 22 A 1 ATOM 188 C CG . PHE A 1 22 ? -5.342 -14.062 -7.380 1.00 95.53 22 A 1 ATOM 189 C CD1 . PHE A 1 22 ? -4.720 -14.722 -8.457 1.00 91.42 22 A 1 ATOM 190 C CD2 . PHE A 1 22 ? -5.478 -14.732 -6.150 1.00 90.76 22 A 1 ATOM 191 C CE1 . PHE A 1 22 ? -4.238 -16.032 -8.307 1.00 88.73 22 A 1 ATOM 192 C CE2 . PHE A 1 22 ? -5.000 -16.044 -5.997 1.00 88.08 22 A 1 ATOM 193 C CZ . PHE A 1 22 ? -4.380 -16.691 -7.076 1.00 87.84 22 A 1 ATOM 194 N N . ILE A 1 23 ? -5.130 -9.258 -7.504 1.00 98.02 23 A 1 ATOM 195 C CA . ILE A 1 23 ? -5.696 -7.921 -7.688 1.00 97.98 23 A 1 ATOM 196 C C . ILE A 1 23 ? -4.588 -6.889 -7.900 1.00 98.07 23 A 1 ATOM 197 O O . ILE A 1 23 ? -4.496 -6.297 -8.979 1.00 97.84 23 A 1 ATOM 198 C CB . ILE A 1 23 ? -6.656 -7.555 -6.531 1.00 97.82 23 A 1 ATOM 199 C CG1 . ILE A 1 23 ? -7.779 -8.615 -6.380 1.00 97.09 23 A 1 ATOM 200 C CG2 . ILE A 1 23 ? -7.234 -6.149 -6.766 1.00 97.21 23 A 1 ATOM 201 C CD1 . ILE A 1 23 ? -8.708 -8.387 -5.184 1.00 94.28 23 A 1 ATOM 202 N N . LEU A 1 24 ? -3.747 -6.672 -6.900 1.00 98.18 24 A 1 ATOM 203 C CA . LEU A 1 24 ? -2.774 -5.582 -6.921 1.00 98.24 24 A 1 ATOM 204 C C . LEU A 1 24 ? -1.701 -5.796 -7.994 1.00 98.17 24 A 1 ATOM 205 O O . LEU A 1 24 ? -1.541 -4.956 -8.888 1.00 97.98 24 A 1 ATOM 206 C CB . LEU A 1 24 ? -2.172 -5.433 -5.511 1.00 98.23 24 A 1 ATOM 207 C CG . LEU A 1 24 ? -1.174 -4.269 -5.373 1.00 97.68 24 A 1 ATOM 208 C CD1 . LEU A 1 24 ? -1.846 -2.916 -5.599 1.00 97.37 24 A 1 ATOM 209 C CD2 . LEU A 1 24 ? -0.570 -4.289 -3.973 1.00 97.42 24 A 1 ATOM 210 N N . LYS A 1 25 ? -1.001 -6.925 -7.931 1.00 98.23 25 A 1 ATOM 211 C CA . LYS A 1 25 ? 0.069 -7.265 -8.873 1.00 98.12 25 A 1 ATOM 212 C C . LYS A 1 25 ? -0.419 -7.286 -10.328 1.00 97.95 25 A 1 ATOM 213 O O . LYS A 1 25 ? 0.142 -6.531 -11.125 1.00 97.74 25 A 1 ATOM 214 C CB . LYS A 1 25 ? 0.772 -8.559 -8.418 1.00 97.86 25 A 1 ATOM 215 C CG . LYS A 1 25 ? 1.764 -9.076 -9.462 1.00 95.80 25 A 1 ATOM 216 C CD . LYS A 1 25 ? 2.456 -10.363 -9.008 1.00 93.15 25 A 1 ATOM 217 C CE . LYS A 1 25 ? 3.348 -10.809 -10.170 1.00 85.92 25 A 1 ATOM 218 N NZ . LYS A 1 25 ? 4.022 -12.104 -9.931 1.00 79.38 25 A 1 ATOM 219 N N . PRO A 1 26 ? -1.478 -8.035 -10.688 1.00 97.96 26 A 1 ATOM 220 C CA . PRO A 1 26 ? -1.930 -8.075 -12.079 1.00 97.64 26 A 1 ATOM 221 C C . PRO A 1 26 ? -2.342 -6.709 -12.617 1.00 97.39 26 A 1 ATOM 222 O O . PRO A 1 26 ? -2.091 -6.405 -13.779 1.00 96.74 26 A 1 ATOM 223 C CB . PRO A 1 26 ? -3.105 -9.050 -12.111 1.00 97.15 26 A 1 ATOM 224 C CG . PRO A 1 26 ? -2.842 -9.954 -10.919 1.00 95.52 26 A 1 ATOM 225 C CD . PRO A 1 26 ? -2.243 -8.990 -9.908 1.00 97.71 26 A 1 ATOM 226 N N . HIS A 1 27 ? -2.953 -5.862 -11.797 1.00 97.38 27 A 1 ATOM 227 C CA . HIS A 1 27 ? -3.335 -4.526 -12.245 1.00 96.99 27 A 1 ATOM 228 C C . HIS A 1 27 ? -2.108 -3.649 -12.513 1.00 96.72 27 A 1 ATOM 229 O O . HIS A 1 27 ? -2.011 -3.030 -13.576 1.00 96.16 27 A 1 ATOM 230 C CB . HIS A 1 27 ? -4.283 -3.891 -11.226 1.00 96.51 27 A 1 ATOM 231 C CG . HIS A 1 27 ? -5.073 -2.733 -11.769 1.00 93.07 27 A 1 ATOM 232 N ND1 . HIS A 1 27 ? -6.456 -2.654 -11.786 1.00 79.02 27 A 1 ATOM 233 C CD2 . HIS A 1 27 ? -4.619 -1.571 -12.322 1.00 80.24 27 A 1 ATOM 234 C CE1 . HIS A 1 27 ? -6.804 -1.473 -12.316 1.00 81.70 27 A 1 ATOM 235 N NE2 . HIS A 1 27 ? -5.718 -0.794 -12.667 1.00 83.15 27 A 1 ATOM 236 N N . LEU A 1 28 ? -1.165 -3.627 -11.590 1.00 97.43 28 A 1 ATOM 237 C CA . LEU A 1 28 ? 0.052 -2.832 -11.744 1.00 97.20 28 A 1 ATOM 238 C C . LEU A 1 28 ? 0.935 -3.332 -12.898 1.00 96.66 28 A 1 ATOM 239 O O . LEU A 1 28 ? 1.452 -2.518 -13.661 1.00 95.95 28 A 1 ATOM 240 C CB . LEU A 1 28 ? 0.829 -2.831 -10.419 1.00 97.35 28 A 1 ATOM 241 C CG . LEU A 1 28 ? 0.171 -2.032 -9.277 1.00 96.78 28 A 1 ATOM 242 C CD1 . LEU A 1 28 ? 0.999 -2.191 -8.005 1.00 96.02 28 A 1 ATOM 243 C CD2 . LEU A 1 28 ? 0.078 -0.542 -9.598 1.00 95.74 28 A 1 ATOM 244 N N . GLU A 1 29 ? 1.065 -4.636 -13.061 1.00 97.31 29 A 1 ATOM 245 C CA . GLU A 1 29 ? 1.866 -5.218 -14.144 1.00 97.06 29 A 1 ATOM 246 C C . GLU A 1 29 ? 1.179 -5.092 -15.509 1.00 96.29 29 A 1 ATOM 247 O O . GLU A 1 29 ? 1.766 -4.558 -16.448 1.00 95.12 29 A 1 ATOM 248 C CB . GLU A 1 29 ? 2.201 -6.686 -13.834 1.00 97.11 29 A 1 ATOM 249 C CG . GLU A 1 29 ? 3.203 -6.821 -12.681 1.00 96.09 29 A 1 ATOM 250 C CD . GLU A 1 29 ? 3.601 -8.268 -12.359 1.00 95.80 29 A 1 ATOM 251 O OE1 . GLU A 1 29 ? 4.663 -8.466 -11.727 1.00 93.14 29 A 1 ATOM 252 O OE2 . GLU A 1 29 ? 2.840 -9.213 -12.668 1.00 93.72 29 A 1 ATOM 253 N N . ASN A 1 30 ? -0.074 -5.519 -15.620 1.00 96.33 30 A 1 ATOM 254 C CA . ASN A 1 30 ? -0.740 -5.647 -16.916 1.00 95.54 30 A 1 ATOM 255 C C . ASN A 1 30 ? -1.354 -4.335 -17.414 1.00 94.49 30 A 1 ATOM 256 O O . ASN A 1 30 ? -1.429 -4.118 -18.620 1.00 92.56 30 A 1 ATOM 257 C CB . ASN A 1 30 ? -1.811 -6.747 -16.848 1.00 95.04 30 A 1 ATOM 258 C CG . ASN A 1 30 ? -1.251 -8.102 -16.446 1.00 92.30 30 A 1 ATOM 259 O OD1 . ASN A 1 30 ? -0.108 -8.431 -16.676 1.00 86.97 30 A 1 ATOM 260 N ND2 . ASN A 1 30 ? -2.062 -8.939 -15.836 1.00 85.36 30 A 1 ATOM 261 N N . LYS A 1 31 ? -1.841 -3.466 -16.508 1.00 94.58 31 A 1 ATOM 262 C CA . LYS A 1 31 ? -2.474 -2.198 -16.913 1.00 93.00 31 A 1 ATOM 263 C C . LYS A 1 31 ? -1.521 -1.015 -16.875 1.00 92.29 31 A 1 ATOM 264 O O . LYS A 1 31 ? -1.646 -0.124 -17.705 1.00 89.96 31 A 1 ATOM 265 C CB . LYS A 1 31 ? -3.720 -1.893 -16.084 1.00 91.84 31 A 1 ATOM 266 C CG . LYS A 1 31 ? -4.774 -2.993 -16.202 1.00 84.99 31 A 1 ATOM 267 C CD . LYS A 1 31 ? -6.124 -2.478 -15.717 1.00 78.72 31 A 1 ATOM 268 C CE . LYS A 1 31 ? -7.164 -3.574 -15.900 1.00 71.33 31 A 1 ATOM 269 N NZ . LYS A 1 31 ? -8.533 -3.060 -15.719 1.00 63.16 31 A 1 ATOM 270 N N . TYR A 1 32 ? -0.602 -1.009 -15.930 1.00 93.45 32 A 1 ATOM 271 C CA . TYR A 1 32 ? 0.365 0.080 -15.793 1.00 92.67 32 A 1 ATOM 272 C C . TYR A 1 32 ? 1.784 -0.317 -16.221 1.00 92.67 32 A 1 ATOM 273 O O . TYR A 1 32 ? 2.704 0.499 -16.148 1.00 90.89 32 A 1 ATOM 274 C CB . TYR A 1 32 ? 0.305 0.644 -14.368 1.00 91.44 32 A 1 ATOM 275 C CG . TYR A 1 32 ? -1.063 1.086 -13.878 1.00 88.93 32 A 1 ATOM 276 C CD1 . TYR A 1 32 ? -2.005 1.666 -14.749 1.00 84.35 32 A 1 ATOM 277 C CD2 . TYR A 1 32 ? -1.392 0.943 -12.516 1.00 84.11 32 A 1 ATOM 278 C CE1 . TYR A 1 32 ? -3.259 2.087 -14.278 1.00 81.49 32 A 1 ATOM 279 C CE2 . TYR A 1 32 ? -2.640 1.367 -12.033 1.00 81.38 32 A 1 ATOM 280 C CZ . TYR A 1 32 ? -3.574 1.937 -12.918 1.00 81.34 32 A 1 ATOM 281 O OH . TYR A 1 32 ? -4.794 2.348 -12.451 1.00 77.62 32 A 1 ATOM 282 N N . SER A 1 33 ? 1.969 -1.552 -16.672 1.00 94.19 33 A 1 ATOM 283 C CA . SER A 1 33 ? 3.240 -2.130 -17.122 1.00 94.62 33 A 1 ATOM 284 C C . SER A 1 33 ? 4.359 -2.077 -16.076 1.00 95.28 33 A 1 ATOM 285 O O . SER A 1 33 ? 5.527 -2.202 -16.432 1.00 93.69 33 A 1 ATOM 286 C CB . SER A 1 33 ? 3.670 -1.514 -18.456 1.00 93.15 33 A 1 ATOM 287 O OG . SER A 1 33 ? 2.660 -1.697 -19.425 1.00 85.13 33 A 1 ATOM 288 N N . HIS A 1 34 ? 4.032 -1.884 -14.790 1.00 95.97 34 A 1 ATOM 289 C CA . HIS A 1 34 ? 5.036 -1.770 -13.738 1.00 96.58 34 A 1 ATOM 290 C C . HIS A 1 34 ? 5.771 -3.089 -13.498 1.00 96.92 34 A 1 ATOM 291 O O . HIS A 1 34 ? 5.189 -4.166 -13.562 1.00 96.60 34 A 1 ATOM 292 C CB . HIS A 1 34 ? 4.405 -1.241 -12.453 1.00 96.21 34 A 1 ATOM 293 C CG . HIS A 1 34 ? 4.082 0.224 -12.525 1.00 95.71 34 A 1 ATOM 294 N ND1 . HIS A 1 34 ? 4.964 1.233 -12.866 1.00 88.46 34 A 1 ATOM 295 C CD2 . HIS A 1 34 ? 2.874 0.823 -12.270 1.00 88.63 34 A 1 ATOM 296 C CE1 . HIS A 1 34 ? 4.298 2.396 -12.822 1.00 89.80 34 A 1 ATOM 297 N NE2 . HIS A 1 34 ? 3.028 2.190 -12.465 1.00 90.90 34 A 1 ATOM 298 N N . LYS A 1 35 ? 7.066 -2.994 -13.180 1.00 96.98 35 A 1 ATOM 299 C CA . LYS A 1 35 ? 7.858 -4.118 -12.685 1.00 96.99 35 A 1 ATOM 300 C C . LYS A 1 35 ? 7.822 -4.112 -11.166 1.00 97.23 35 A 1 ATOM 301 O O . LYS A 1 35 ? 8.166 -3.105 -10.546 1.00 96.76 35 A 1 ATOM 302 C CB . LYS A 1 35 ? 9.297 -4.048 -13.195 1.00 96.22 35 A 1 ATOM 303 C CG . LYS A 1 35 ? 9.382 -4.275 -14.712 1.00 87.68 35 A 1 ATOM 304 C CD . LYS A 1 35 ? 10.849 -4.319 -15.143 1.00 82.45 35 A 1 ATOM 305 C CE . LYS A 1 35 ? 10.957 -4.602 -16.639 1.00 71.76 35 A 1 ATOM 306 N NZ . LYS A 1 35 ? 12.371 -4.767 -17.060 1.00 63.64 35 A 1 ATOM 307 N N . LEU A 1 36 ? 7.428 -5.239 -10.576 1.00 97.49 36 A 1 ATOM 308 C CA . LEU A 1 36 ? 7.216 -5.362 -9.141 1.00 97.56 36 A 1 ATOM 309 C C . LEU A 1 36 ? 8.175 -6.378 -8.535 1.00 97.38 36 A 1 ATOM 310 O O . LEU A 1 36 ? 8.519 -7.377 -9.165 1.00 96.91 36 A 1 ATOM 311 C CB . LEU A 1 36 ? 5.755 -5.744 -8.859 1.00 97.56 36 A 1 ATOM 312 C CG . LEU A 1 36 ? 4.703 -4.817 -9.497 1.00 97.19 36 A 1 ATOM 313 C CD1 . LEU A 1 36 ? 3.315 -5.349 -9.179 1.00 96.70 36 A 1 ATOM 314 C CD2 . LEU A 1 36 ? 4.809 -3.377 -8.990 1.00 96.55 36 A 1 ATOM 315 N N . LEU A 1 37 ? 8.561 -6.124 -7.294 1.00 97.30 37 A 1 ATOM 316 C CA . LEU A 1 37 ? 9.218 -7.097 -6.437 1.00 97.04 37 A 1 ATOM 317 C C . LEU A 1 37 ? 8.299 -7.359 -5.244 1.00 97.22 37 A 1 ATOM 318 O O . LEU A 1 37 ? 7.909 -6.418 -4.558 1.00 96.65 37 A 1 ATOM 319 C CB . LEU A 1 37 ? 10.597 -6.554 -6.039 1.00 95.95 37 A 1 ATOM 320 C CG . LEU A 1 37 ? 11.446 -7.543 -5.222 1.00 89.63 37 A 1 ATOM 321 C CD1 . LEU A 1 37 ? 11.779 -8.811 -6.009 1.00 87.34 37 A 1 ATOM 322 C CD2 . LEU A 1 37 ? 12.767 -6.864 -4.864 1.00 87.16 37 A 1 ATOM 323 N N . LEU A 1 38 ? 7.931 -8.619 -5.026 1.00 97.25 38 A 1 ATOM 324 C CA . LEU A 1 38 ? 7.054 -9.019 -3.929 1.00 97.02 38 A 1 ATOM 325 C C . LEU A 1 38 ? 7.885 -9.657 -2.828 1.00 96.32 38 A 1 ATOM 326 O O . LEU A 1 38 ? 8.836 -10.383 -3.119 1.00 95.01 38 A 1 ATOM 327 C CB . LEU A 1 38 ? 5.963 -9.981 -4.429 1.00 96.86 38 A 1 ATOM 328 C CG . LEU A 1 38 ? 4.743 -9.299 -5.078 1.00 95.13 38 A 1 ATOM 329 C CD1 . LEU A 1 38 ? 5.063 -8.568 -6.382 1.00 91.80 38 A 1 ATOM 330 C CD2 . LEU A 1 38 ? 3.681 -10.354 -5.392 1.00 90.80 38 A 1 ATOM 331 N N . ASN A 1 39 ? 7.506 -9.402 -1.578 1.00 96.51 39 A 1 ATOM 332 C CA . ASN A 1 39 ? 8.108 -10.026 -0.407 1.00 96.43 39 A 1 ATOM 333 C C . ASN A 1 39 ? 7.037 -10.218 0.675 1.00 97.29 39 A 1 ATOM 334 O O . ASN A 1 39 ? 6.315 -9.283 1.007 1.00 96.94 39 A 1 ATOM 335 C CB . ASN A 1 39 ? 9.277 -9.143 0.044 1.00 93.95 39 A 1 ATOM 336 C CG . ASN A 1 39 ? 10.066 -9.749 1.187 1.00 89.56 39 A 1 ATOM 337 O OD1 . ASN A 1 39 ? 9.537 -10.271 2.134 1.00 78.28 39 A 1 ATOM 338 N ND2 . ASN A 1 39 ? 11.373 -9.683 1.130 1.00 77.47 39 A 1 ATOM 339 N N . ASP A 1 40 ? 6.948 -11.435 1.200 1.00 97.38 40 A 1 ATOM 340 C CA . ASP A 1 40 ? 6.021 -11.838 2.256 1.00 97.42 40 A 1 ATOM 341 C C . ASP A 1 40 ? 6.723 -12.112 3.593 1.00 97.23 40 A 1 ATOM 342 O O . ASP A 1 40 ? 6.118 -12.644 4.524 1.00 95.64 40 A 1 ATOM 343 C CB . ASP A 1 40 ? 5.169 -13.024 1.776 1.00 96.96 40 A 1 ATOM 344 C CG . ASP A 1 40 ? 5.938 -14.316 1.479 1.00 96.34 40 A 1 ATOM 345 O OD1 . ASP A 1 40 ? 7.176 -14.268 1.325 1.00 94.14 40 A 1 ATOM 346 O OD2 . ASP A 1 40 ? 5.250 -15.359 1.340 1.00 92.62 40 A 1 ATOM 347 N N . THR A 1 41 ? 7.987 -11.727 3.713 1.00 96.48 41 A 1 ATOM 348 C CA . THR A 1 41 ? 8.779 -11.894 4.933 1.00 95.89 41 A 1 ATOM 349 C C . THR A 1 41 ? 8.713 -10.652 5.824 1.00 96.29 41 A 1 ATOM 350 O O . THR A 1 41 ? 8.311 -9.562 5.403 1.00 94.84 41 A 1 ATOM 351 C CB . THR A 1 41 ? 10.236 -12.289 4.635 1.00 93.95 41 A 1 ATOM 352 O OG1 . THR A 1 41 ? 10.978 -11.196 4.152 1.00 87.02 41 A 1 ATOM 353 C CG2 . THR A 1 41 ? 10.360 -13.452 3.656 1.00 85.76 41 A 1 ATOM 354 N N . ASN A 1 42 ? 9.128 -10.806 7.091 1.00 96.10 42 A 1 ATOM 355 C CA . ASN A 1 42 ? 9.256 -9.675 7.999 1.00 96.48 42 A 1 ATOM 356 C C . ASN A 1 42 ? 10.403 -8.758 7.552 1.00 96.76 42 A 1 ATOM 357 O O . ASN A 1 42 ? 11.576 -9.111 7.647 1.00 96.06 42 A 1 ATOM 358 C CB . ASN A 1 42 ? 9.437 -10.189 9.436 1.00 95.57 42 A 1 ATOM 359 C CG . ASN A 1 42 ? 9.476 -9.054 10.448 1.00 94.95 42 A 1 ATOM 360 O OD1 . ASN A 1 42 ? 9.322 -7.888 10.129 1.00 92.48 42 A 1 ATOM 361 N ND2 . ASN A 1 42 ? 9.680 -9.369 11.710 1.00 91.18 42 A 1 ATOM 362 N N . ILE A 1 43 ? 10.060 -7.559 7.103 1.00 97.38 43 A 1 ATOM 363 C CA . ILE A 1 43 ? 11.029 -6.561 6.625 1.00 97.37 43 A 1 ATOM 364 C C . ILE A 1 43 ? 11.722 -5.783 7.751 1.00 97.64 43 A 1 ATOM 365 O O . ILE A 1 43 ? 12.723 -5.119 7.493 1.00 97.11 43 A 1 ATOM 366 C CB . ILE A 1 43 ? 10.365 -5.600 5.618 1.00 96.98 43 A 1 ATOM 367 C CG1 . ILE A 1 43 ? 9.154 -4.846 6.212 1.00 95.84 43 A 1 ATOM 368 C CG2 . ILE A 1 43 ? 9.985 -6.383 4.345 1.00 93.96 43 A 1 ATOM 369 C CD1 . ILE A 1 43 ? 8.657 -3.691 5.326 1.00 95.35 43 A 1 ATOM 370 N N . LEU A 1 44 ? 11.195 -5.850 8.971 1.00 97.59 44 A 1 ATOM 371 C CA . LEU A 1 44 ? 11.656 -5.092 10.137 1.00 97.64 44 A 1 ATOM 372 C C . LEU A 1 44 ? 11.782 -5.998 11.377 1.00 97.52 44 A 1 ATOM 373 O O . LEU A 1 44 ? 11.131 -5.742 12.393 1.00 96.41 44 A 1 ATOM 374 C CB . LEU A 1 44 ? 10.698 -3.911 10.381 1.00 97.34 44 A 1 ATOM 375 C CG . LEU A 1 44 ? 10.787 -2.769 9.356 1.00 96.79 44 A 1 ATOM 376 C CD1 . LEU A 1 44 ? 9.589 -1.847 9.509 1.00 95.76 44 A 1 ATOM 377 C CD2 . LEU A 1 44 ? 12.046 -1.927 9.572 1.00 95.88 44 A 1 ATOM 378 N N . PRO A 1 45 ? 12.596 -7.074 11.332 1.00 97.19 45 A 1 ATOM 379 C CA . PRO A 1 45 ? 12.801 -7.910 12.506 1.00 96.60 45 A 1 ATOM 380 C C . PRO A 1 45 ? 13.398 -7.069 13.641 1.00 96.42 45 A 1 ATOM 381 O O . PRO A 1 45 ? 14.408 -6.389 13.455 1.00 94.32 45 A 1 ATOM 382 C CB . PRO A 1 45 ? 13.736 -9.035 12.049 1.00 95.79 45 A 1 ATOM 383 C CG . PRO A 1 45 ? 14.506 -8.415 10.878 1.00 94.22 45 A 1 ATOM 384 C CD . PRO A 1 45 ? 13.468 -7.489 10.247 1.00 96.79 45 A 1 ATOM 385 N N . GLY A 1 46 ? 12.748 -7.086 14.806 1.00 96.00 46 A 1 ATOM 386 C CA . GLY A 1 46 ? 13.140 -6.238 15.939 1.00 95.31 46 A 1 ATOM 387 C C . GLY A 1 46 ? 12.976 -4.726 15.692 1.00 96.00 46 A 1 ATOM 388 O O . GLY A 1 46 ? 13.646 -3.925 16.336 1.00 93.49 46 A 1 ATOM 389 N N . ALA A 1 47 ? 12.110 -4.355 14.754 1.00 95.58 47 A 1 ATOM 390 C CA . ALA A 1 47 ? 11.936 -2.983 14.254 1.00 95.95 47 A 1 ATOM 391 C C . ALA A 1 47 ? 13.167 -2.392 13.532 1.00 96.51 47 A 1 ATOM 392 O O . ALA A 1 47 ? 13.184 -1.194 13.240 1.00 95.17 47 A 1 ATOM 393 C CB . ALA A 1 47 ? 11.369 -2.078 15.355 1.00 94.96 47 A 1 ATOM 394 N N . GLU A 1 48 ? 14.137 -3.219 13.172 1.00 97.47 48 A 1 ATOM 395 C CA . GLU A 1 48 ? 15.309 -2.832 12.385 1.00 97.50 48 A 1 ATOM 396 C C . GLU A 1 48 ? 15.189 -3.333 10.936 1.00 97.61 48 A 1 ATOM 397 O O . GLU A 1 48 ? 14.696 -4.437 10.699 1.00 97.01 48 A 1 ATOM 398 C CB . GLU A 1 48 ? 16.590 -3.361 13.046 1.00 96.81 48 A 1 ATOM 399 C CG . GLU A 1 48 ? 16.934 -2.645 14.362 1.00 92.66 48 A 1 ATOM 400 C CD . GLU A 1 48 ? 17.152 -1.130 14.175 1.00 90.23 48 A 1 ATOM 401 O OE1 . GLU A 1 48 ? 16.799 -0.360 15.093 1.00 82.86 48 A 1 ATOM 402 O OE2 . GLU A 1 48 ? 17.644 -0.735 13.094 1.00 84.48 48 A 1 ATOM 403 N N . PRO A 1 49 ? 15.648 -2.565 9.948 1.00 97.82 49 A 1 ATOM 404 C CA . PRO A 1 49 ? 15.581 -2.980 8.553 1.00 97.73 49 A 1 ATOM 405 C C . PRO A 1 49 ? 16.349 -4.281 8.296 1.00 97.74 49 A 1 ATOM 406 O O . PRO A 1 49 ? 17.558 -4.362 8.526 1.00 97.27 49 A 1 ATOM 407 C CB . PRO A 1 49 ? 16.154 -1.818 7.746 1.00 97.25 49 A 1 ATOM 408 C CG . PRO A 1 49 ? 15.961 -0.610 8.657 1.00 95.80 49 A 1 ATOM 409 C CD . PRO A 1 49 ? 16.156 -1.206 10.046 1.00 97.33 49 A 1 ATOM 410 N N . SER A 1 50 ? 15.675 -5.284 7.740 1.00 97.64 50 A 1 ATOM 411 C CA . SER A 1 50 ? 16.343 -6.508 7.306 1.00 97.40 50 A 1 ATOM 412 C C . SER A 1 50 ? 17.309 -6.229 6.146 1.00 97.43 50 A 1 ATOM 413 O O . SER A 1 50 ? 17.123 -5.298 5.353 1.00 97.19 50 A 1 ATOM 414 C CB . SER A 1 50 ? 15.321 -7.593 6.933 1.00 96.83 50 A 1 ATOM 415 O OG . SER A 1 50 ? 14.664 -7.282 5.720 1.00 95.26 50 A 1 ATOM 416 N N . ALA A 1 51 ? 18.315 -7.087 5.995 1.00 97.11 51 A 1 ATOM 417 C CA . ALA A 1 51 ? 19.220 -7.010 4.846 1.00 96.66 51 A 1 ATOM 418 C C . ALA A 1 51 ? 18.456 -7.090 3.513 1.00 96.29 51 A 1 ATOM 419 O O . ALA A 1 51 ? 18.768 -6.375 2.557 1.00 95.38 51 A 1 ATOM 420 C CB . ALA A 1 51 ? 20.245 -8.143 4.966 1.00 96.10 51 A 1 ATOM 421 N N . GLU A 1 52 ? 17.406 -7.904 3.477 1.00 96.01 52 A 1 ATOM 422 C CA . GLU A 1 52 ? 16.543 -8.043 2.312 1.00 95.18 52 A 1 ATOM 423 C C . GLU A 1 52 ? 15.773 -6.749 2.012 1.00 95.44 52 A 1 ATOM 424 O O . GLU A 1 52 ? 15.744 -6.310 0.861 1.00 94.66 52 A 1 ATOM 425 C CB . GLU A 1 52 ? 15.605 -9.233 2.530 1.00 93.27 52 A 1 ATOM 426 C CG . GLU A 1 52 ? 14.879 -9.566 1.231 1.00 81.14 52 A 1 ATOM 427 C CD . GLU A 1 52 ? 13.971 -10.791 1.324 1.00 76.02 52 A 1 ATOM 428 O OE1 . GLU A 1 52 ? 13.546 -11.243 0.237 1.00 70.35 52 A 1 ATOM 429 O OE2 . GLU A 1 52 ? 13.637 -11.213 2.448 1.00 69.55 52 A 1 ATOM 430 N N . LEU A 1 53 ? 15.219 -6.089 3.034 1.00 96.28 53 A 1 ATOM 431 C CA . LEU A 1 53 ? 14.574 -4.786 2.863 1.00 96.57 53 A 1 ATOM 432 C C . LEU A 1 53 ? 15.553 -3.763 2.283 1.00 96.43 53 A 1 ATOM 433 O O . LEU A 1 53 ? 15.221 -3.089 1.307 1.00 96.00 53 A 1 ATOM 434 C CB . LEU A 1 53 ? 13.991 -4.297 4.201 1.00 96.66 53 A 1 ATOM 435 C CG . LEU A 1 53 ? 13.379 -2.884 4.127 1.00 96.46 53 A 1 ATOM 436 C CD1 . LEU A 1 53 ? 12.187 -2.815 3.175 1.00 95.73 53 A 1 ATOM 437 C CD2 . LEU A 1 53 ? 12.918 -2.426 5.502 1.00 95.57 53 A 1 ATOM 438 N N . LEU A 1 54 ? 16.751 -3.664 2.830 1.00 96.83 54 A 1 ATOM 439 C CA . LEU A 1 54 ? 17.773 -2.728 2.353 1.00 96.38 54 A 1 ATOM 440 C C . LEU A 1 54 ? 18.126 -2.977 0.879 1.00 95.46 54 A 1 ATOM 441 O O . LEU A 1 54 ? 18.153 -2.045 0.068 1.00 94.36 54 A 1 ATOM 442 C CB . LEU A 1 54 ? 19.024 -2.835 3.247 1.00 96.37 54 A 1 ATOM 443 C CG . LEU A 1 54 ? 18.827 -2.367 4.701 1.00 95.47 54 A 1 ATOM 444 C CD1 . LEU A 1 54 ? 20.098 -2.636 5.502 1.00 94.43 54 A 1 ATOM 445 C CD2 . LEU A 1 54 ? 18.512 -0.875 4.789 1.00 94.20 54 A 1 ATOM 446 N N . MET A 1 55 ? 18.320 -4.234 0.504 1.00 94.63 55 A 1 ATOM 447 C CA . MET A 1 55 ? 18.566 -4.620 -0.887 1.00 93.50 55 A 1 ATOM 448 C C . MET A 1 55 ? 17.386 -4.273 -1.799 1.00 93.02 55 A 1 ATOM 449 O O . MET A 1 55 ? 17.574 -3.687 -2.869 1.00 91.73 55 A 1 ATOM 450 C CB . MET A 1 55 ? 18.855 -6.120 -0.970 1.00 91.90 55 A 1 ATOM 451 C CG . MET A 1 55 ? 20.244 -6.470 -0.437 1.00 80.47 55 A 1 ATOM 452 S SD . MET A 1 55 ? 20.671 -8.234 -0.532 1.00 74.23 55 A 1 ATOM 453 C CE . MET A 1 55 ? 20.646 -8.528 -2.312 1.00 65.03 55 A 1 ATOM 454 N N . ASN A 1 56 ? 16.171 -4.583 -1.371 1.00 92.60 56 A 1 ATOM 455 C CA . ASN A 1 56 ? 14.957 -4.369 -2.154 1.00 91.53 56 A 1 ATOM 456 C C . ASN A 1 56 ? 14.644 -2.882 -2.348 1.00 92.56 56 A 1 ATOM 457 O O . ASN A 1 56 ? 14.367 -2.439 -3.465 1.00 91.55 56 A 1 ATOM 458 C CB . ASN A 1 56 ? 13.815 -5.132 -1.466 1.00 89.47 56 A 1 ATOM 459 C CG . ASN A 1 56 ? 13.938 -6.640 -1.644 1.00 86.86 56 A 1 ATOM 460 O OD1 . ASN A 1 56 ? 14.651 -7.133 -2.501 1.00 81.42 56 A 1 ATOM 461 N ND2 . ASN A 1 56 ? 13.190 -7.411 -0.877 1.00 80.28 56 A 1 ATOM 462 N N . ILE A 1 57 ? 14.779 -2.081 -1.299 1.00 93.96 57 A 1 ATOM 463 C CA . ILE A 1 57 ? 14.598 -0.626 -1.362 1.00 93.78 57 A 1 ATOM 464 C C . ILE A 1 57 ? 15.619 0.035 -2.294 1.00 94.26 57 A 1 ATOM 465 O O . ILE A 1 57 ? 15.272 0.960 -3.033 1.00 93.54 57 A 1 ATOM 466 C CB . ILE A 1 57 ? 14.645 -0.029 0.064 1.00 92.17 57 A 1 ATOM 467 C CG1 . ILE A 1 57 ? 13.410 -0.440 0.898 1.00 80.66 57 A 1 ATOM 468 C CG2 . ILE A 1 57 ? 14.778 1.500 0.050 1.00 78.94 57 A 1 ATOM 469 C CD1 . ILE A 1 57 ? 12.071 0.135 0.421 1.00 73.20 57 A 1 ATOM 470 N N . SER A 1 58 ? 16.850 -0.449 -2.322 1.00 94.65 58 A 1 ATOM 471 C CA . SER A 1 58 ? 17.856 0.073 -3.253 1.00 94.18 58 A 1 ATOM 472 C C . SER A 1 58 ? 17.457 -0.143 -4.721 1.00 94.55 58 A 1 ATOM 473 O O . SER A 1 58 ? 17.688 0.729 -5.567 1.00 92.98 58 A 1 ATOM 474 C CB . SER A 1 58 ? 19.235 -0.521 -2.938 1.00 92.77 58 A 1 ATOM 475 O OG . SER A 1 58 ? 19.374 -1.823 -3.459 1.00 82.56 58 A 1 ATOM 476 N N . ARG A 1 59 ? 16.767 -1.252 -5.013 1.00 95.63 59 A 1 ATOM 477 C CA . ARG A 1 59 ? 16.365 -1.684 -6.363 1.00 95.86 59 A 1 ATOM 478 C C . ARG A 1 59 ? 14.989 -1.177 -6.805 1.00 96.31 59 A 1 ATOM 479 O O . ARG A 1 59 ? 14.693 -1.209 -8.000 1.00 95.43 59 A 1 ATOM 480 C CB . ARG A 1 59 ? 16.407 -3.218 -6.419 1.00 94.64 59 A 1 ATOM 481 C CG . ARG A 1 59 ? 17.831 -3.773 -6.244 1.00 91.51 59 A 1 ATOM 482 C CD . ARG A 1 59 ? 17.794 -5.298 -6.172 1.00 87.52 59 A 1 ATOM 483 N NE . ARG A 1 59 ? 19.140 -5.862 -5.957 1.00 80.13 59 A 1 ATOM 484 C CZ . ARG A 1 59 ? 19.438 -7.148 -5.893 1.00 74.94 59 A 1 ATOM 485 N NH1 . ARG A 1 59 ? 18.531 -8.074 -6.051 1.00 68.91 59 A 1 ATOM 486 N NH2 . ARG A 1 59 ? 20.664 -7.524 -5.658 1.00 66.93 59 A 1 ATOM 487 N N . CYS A 1 60 ? 14.158 -0.712 -5.874 1.00 96.46 60 A 1 ATOM 488 C CA . CYS A 1 60 ? 12.777 -0.321 -6.146 1.00 96.41 60 A 1 ATOM 489 C C . CYS A 1 60 ? 12.567 1.191 -6.031 1.00 96.07 60 A 1 ATOM 490 O O . CYS A 1 60 ? 13.136 1.849 -5.164 1.00 95.11 60 A 1 ATOM 491 C CB . CYS A 1 60 ? 11.835 -1.089 -5.212 1.00 96.05 60 A 1 ATOM 492 S SG . CYS A 1 60 ? 11.996 -2.878 -5.489 1.00 93.06 60 A 1 ATOM 493 N N . GLN A 1 61 ? 11.717 1.773 -6.889 1.00 96.23 61 A 1 ATOM 494 C CA . GLN A 1 61 ? 11.430 3.214 -6.848 1.00 95.77 61 A 1 ATOM 495 C C . GLN A 1 61 ? 10.443 3.601 -5.746 1.00 95.82 61 A 1 ATOM 496 O O . GLN A 1 61 ? 10.508 4.722 -5.243 1.00 94.96 61 A 1 ATOM 497 C CB . GLN A 1 61 ? 10.895 3.701 -8.198 1.00 95.07 61 A 1 ATOM 498 C CG . GLN A 1 61 ? 11.898 3.515 -9.342 1.00 92.19 61 A 1 ATOM 499 C CD . GLN A 1 61 ? 11.474 4.287 -10.590 1.00 87.14 61 A 1 ATOM 500 O OE1 . GLN A 1 61 ? 11.008 5.409 -10.508 1.00 77.37 61 A 1 ATOM 501 N NE2 . GLN A 1 61 ? 11.626 3.726 -11.767 1.00 74.54 61 A 1 ATOM 502 N N . ARG A 1 62 ? 9.540 2.687 -5.392 1.00 96.60 62 A 1 ATOM 503 C CA . ARG A 1 62 ? 8.522 2.877 -4.352 1.00 97.01 62 A 1 ATOM 504 C C . ARG A 1 62 ? 8.494 1.680 -3.416 1.00 97.34 62 A 1 ATOM 505 O O . ARG A 1 62 ? 8.802 0.565 -3.833 1.00 96.77 62 A 1 ATOM 506 C CB . ARG A 1 62 ? 7.135 3.071 -4.997 1.00 96.46 62 A 1 ATOM 507 C CG . ARG A 1 62 ? 7.012 4.302 -5.909 1.00 94.14 62 A 1 ATOM 508 C CD . ARG A 1 62 ? 7.125 5.616 -5.136 1.00 91.91 62 A 1 ATOM 509 N NE . ARG A 1 62 ? 7.005 6.771 -6.039 1.00 89.97 62 A 1 ATOM 510 C CZ . ARG A 1 62 ? 7.988 7.378 -6.690 1.00 87.64 62 A 1 ATOM 511 N NH1 . ARG A 1 62 ? 9.233 7.020 -6.554 1.00 80.62 62 A 1 ATOM 512 N NH2 . ARG A 1 62 ? 7.720 8.362 -7.499 1.00 83.73 62 A 1 ATOM 513 N N . LEU A 1 63 ? 8.075 1.922 -2.182 1.00 97.44 63 A 1 ATOM 514 C CA . LEU A 1 63 ? 7.669 0.887 -1.239 1.00 97.78 63 A 1 ATOM 515 C C . LEU A 1 63 ? 6.147 0.918 -1.127 1.00 98.01 63 A 1 ATOM 516 O O . LEU A 1 63 ? 5.581 1.983 -0.884 1.00 97.91 63 A 1 ATOM 517 C CB . LEU A 1 63 ? 8.366 1.130 0.107 1.00 97.65 63 A 1 ATOM 518 C CG . LEU A 1 63 ? 7.872 0.231 1.257 1.00 97.16 63 A 1 ATOM 519 C CD1 . LEU A 1 63 ? 8.144 -1.250 0.997 1.00 96.57 63 A 1 ATOM 520 C CD2 . LEU A 1 63 ? 8.579 0.625 2.554 1.00 96.29 63 A 1 ATOM 521 N N . ILE A 1 64 ? 5.517 -0.232 -1.291 1.00 98.20 64 A 1 ATOM 522 C CA . ILE A 1 64 ? 4.098 -0.453 -1.010 1.00 98.42 64 A 1 ATOM 523 C C . ILE A 1 64 ? 4.015 -1.455 0.135 1.00 98.44 64 A 1 ATOM 524 O O . ILE A 1 64 ? 4.597 -2.530 0.047 1.00 98.26 64 A 1 ATOM 525 C CB . ILE A 1 64 ? 3.341 -0.949 -2.261 1.00 98.44 64 A 1 ATOM 526 C CG1 . ILE A 1 64 ? 3.473 0.051 -3.432 1.00 98.17 64 A 1 ATOM 527 C CG2 . ILE A 1 64 ? 1.863 -1.206 -1.912 1.00 98.11 64 A 1 ATOM 528 C CD1 . ILE A 1 64 ? 2.843 -0.427 -4.749 1.00 97.77 64 A 1 ATOM 529 N N . VAL A 1 65 ? 3.278 -1.125 1.180 1.00 98.43 65 A 1 ATOM 530 C CA . VAL A 1 65 ? 3.003 -2.023 2.303 1.00 98.47 65 A 1 ATOM 531 C C . VAL A 1 65 ? 1.507 -2.292 2.340 1.00 98.49 65 A 1 ATOM 532 O O . VAL A 1 65 ? 0.708 -1.361 2.425 1.00 98.31 65 A 1 ATOM 533 C CB . VAL A 1 65 ? 3.511 -1.435 3.632 1.00 98.34 65 A 1 ATOM 534 C CG1 . VAL A 1 65 ? 3.233 -2.373 4.802 1.00 97.90 65 A 1 ATOM 535 C CG2 . VAL A 1 65 ? 5.023 -1.169 3.585 1.00 97.95 65 A 1 ATOM 536 N N . VAL A 1 66 ? 1.122 -3.559 2.278 1.00 98.51 66 A 1 ATOM 537 C CA . VAL A 1 66 ? -0.273 -3.976 2.460 1.00 98.58 66 A 1 ATOM 538 C C . VAL A 1 66 ? -0.541 -4.077 3.959 1.00 98.46 66 A 1 ATOM 539 O O . VAL A 1 66 ? -0.330 -5.118 4.577 1.00 98.14 66 A 1 ATOM 540 C CB . VAL A 1 66 ? -0.578 -5.288 1.709 1.00 98.59 66 A 1 ATOM 541 C CG1 . VAL A 1 66 ? -2.051 -5.670 1.855 1.00 98.30 66 A 1 ATOM 542 C CG2 . VAL A 1 66 ? -0.282 -5.136 0.209 1.00 98.40 66 A 1 ATOM 543 N N . LEU A 1 67 ? -0.974 -2.981 4.538 1.00 98.06 67 A 1 ATOM 544 C CA . LEU A 1 67 ? -1.108 -2.789 5.980 1.00 97.76 67 A 1 ATOM 545 C C . LEU A 1 67 ? -2.445 -3.358 6.488 1.00 97.52 67 A 1 ATOM 546 O O . LEU A 1 67 ? -3.318 -2.631 6.974 1.00 96.64 67 A 1 ATOM 547 C CB . LEU A 1 67 ? -0.885 -1.295 6.289 1.00 97.30 67 A 1 ATOM 548 C CG . LEU A 1 67 ? -0.504 -1.022 7.757 1.00 95.57 67 A 1 ATOM 549 C CD1 . LEU A 1 67 ? 0.947 -1.421 8.038 1.00 93.79 67 A 1 ATOM 550 C CD2 . LEU A 1 67 ? -0.642 0.472 8.055 1.00 93.88 67 A 1 ATOM 551 N N . SER A 1 68 ? -2.613 -4.659 6.323 1.00 97.74 68 A 1 ATOM 552 C CA . SER A 1 68 ? -3.758 -5.390 6.857 1.00 97.70 68 A 1 ATOM 553 C C . SER A 1 68 ? -3.686 -5.510 8.380 1.00 97.46 68 A 1 ATOM 554 O O . SER A 1 68 ? -2.648 -5.256 8.989 1.00 97.17 68 A 1 ATOM 555 C CB . SER A 1 68 ? -3.819 -6.783 6.226 1.00 97.65 68 A 1 ATOM 556 O OG . SER A 1 68 ? -2.723 -7.572 6.634 1.00 97.16 68 A 1 ATOM 557 N N . GLN A 1 69 ? -4.773 -5.962 9.000 1.00 96.72 69 A 1 ATOM 558 C CA . GLN A 1 69 ? -4.756 -6.313 10.421 1.00 96.16 69 A 1 ATOM 559 C C . GLN A 1 69 ? -3.685 -7.375 10.705 1.00 96.54 69 A 1 ATOM 560 O O . GLN A 1 69 ? -2.865 -7.178 11.595 1.00 96.00 69 A 1 ATOM 561 C CB . GLN A 1 69 ? -6.150 -6.787 10.839 1.00 94.59 69 A 1 ATOM 562 C CG . GLN A 1 69 ? -6.185 -7.083 12.348 1.00 80.71 69 A 1 ATOM 563 C CD . GLN A 1 69 ? -7.533 -7.622 12.816 1.00 72.15 69 A 1 ATOM 564 O OE1 . GLN A 1 69 ? -8.490 -7.756 12.070 1.00 65.33 69 A 1 ATOM 565 N NE2 . GLN A 1 69 ? -7.650 -7.944 14.084 1.00 61.01 69 A 1 ATOM 566 N N . SER A 1 70 ? -3.605 -8.426 9.895 1.00 96.82 70 A 1 ATOM 567 C CA . SER A 1 70 ? -2.593 -9.479 10.057 1.00 96.82 70 A 1 ATOM 568 C C . SER A 1 70 ? -1.162 -8.970 9.849 1.00 97.19 70 A 1 ATOM 569 O O . SER A 1 70 ? -0.228 -9.481 10.455 1.00 96.80 70 A 1 ATOM 570 C CB . SER A 1 70 ? -2.851 -10.618 9.073 1.00 96.27 70 A 1 ATOM 571 O OG . SER A 1 70 ? -4.194 -11.068 9.148 1.00 86.50 70 A 1 ATOM 572 N N . TYR A 1 71 ? -0.963 -7.955 9.014 1.00 97.34 71 A 1 ATOM 573 C CA . TYR A 1 71 ? 0.344 -7.302 8.897 1.00 97.75 71 A 1 ATOM 574 C C . TYR A 1 71 ? 0.722 -6.587 10.195 1.00 97.53 71 A 1 ATOM 575 O O . TYR A 1 71 ? 1.860 -6.675 10.648 1.00 96.88 71 A 1 ATOM 576 C CB . TYR A 1 71 ? 0.337 -6.330 7.714 1.00 97.85 71 A 1 ATOM 577 C CG . TYR A 1 71 ? 1.720 -5.859 7.305 1.00 98.21 71 A 1 ATOM 578 C CD1 . TYR A 1 71 ? 2.393 -4.856 8.026 1.00 97.86 71 A 1 ATOM 579 C CD2 . TYR A 1 71 ? 2.361 -6.463 6.199 1.00 97.80 71 A 1 ATOM 580 C CE1 . TYR A 1 71 ? 3.701 -4.472 7.673 1.00 97.57 71 A 1 ATOM 581 C CE2 . TYR A 1 71 ? 3.661 -6.084 5.835 1.00 97.50 71 A 1 ATOM 582 C CZ . TYR A 1 71 ? 4.333 -5.097 6.583 1.00 97.77 71 A 1 ATOM 583 O OH . TYR A 1 71 ? 5.621 -4.754 6.251 1.00 97.33 71 A 1 ATOM 584 N N . LEU A 1 72 ? -0.250 -5.916 10.809 1.00 97.29 72 A 1 ATOM 585 C CA . LEU A 1 72 ? -0.082 -5.166 12.053 1.00 96.95 72 A 1 ATOM 586 C C . LEU A 1 72 ? 0.057 -6.056 13.298 1.00 96.59 72 A 1 ATOM 587 O O . LEU A 1 72 ? 0.440 -5.552 14.350 1.00 95.74 72 A 1 ATOM 588 C CB . LEU A 1 72 ? -1.264 -4.197 12.203 1.00 96.59 72 A 1 ATOM 589 C CG . LEU A 1 72 ? -1.276 -3.053 11.176 1.00 95.75 72 A 1 ATOM 590 C CD1 . LEU A 1 72 ? -2.577 -2.264 11.304 1.00 95.03 72 A 1 ATOM 591 C CD2 . LEU A 1 72 ? -0.104 -2.094 11.394 1.00 94.94 72 A 1 ATOM 592 N N . GLU A 1 73 ? -0.215 -7.343 13.179 1.00 96.64 73 A 1 ATOM 593 C CA . GLU A 1 73 ? 0.023 -8.339 14.232 1.00 96.10 73 A 1 ATOM 594 C C . GLU A 1 73 ? 1.494 -8.778 14.320 1.00 96.08 73 A 1 ATOM 595 O O . GLU A 1 73 ? 1.884 -9.421 15.289 1.00 95.03 73 A 1 ATOM 596 C CB . GLU A 1 73 ? -0.893 -9.552 14.004 1.00 95.33 73 A 1 ATOM 597 C CG . GLU A 1 73 ? -2.360 -9.237 14.330 1.00 92.10 73 A 1 ATOM 598 C CD . GLU A 1 73 ? -3.357 -10.294 13.825 1.00 87.04 73 A 1 ATOM 599 O OE1 . GLU A 1 73 ? -4.580 -10.030 13.946 1.00 80.49 73 A 1 ATOM 600 O OE2 . GLU A 1 73 ? -2.927 -11.335 13.277 1.00 81.26 73 A 1 ATOM 601 N N . GLN A 1 74 ? 2.333 -8.422 13.344 1.00 96.52 74 A 1 ATOM 602 C CA . GLN A 1 74 ? 3.771 -8.681 13.430 1.00 96.33 74 A 1 ATOM 603 C C . GLN A 1 74 ? 4.374 -7.986 14.657 1.00 96.29 74 A 1 ATOM 604 O O . GLN A 1 74 ? 4.020 -6.855 14.986 1.00 95.66 74 A 1 ATOM 605 C CB . GLN A 1 74 ? 4.491 -8.209 12.162 1.00 95.89 74 A 1 ATOM 606 C CG . GLN A 1 74 ? 4.147 -9.055 10.929 1.00 94.80 74 A 1 ATOM 607 C CD . GLN A 1 74 ? 4.816 -8.485 9.685 1.00 95.31 74 A 1 ATOM 608 O OE1 . GLN A 1 74 ? 5.841 -8.948 9.213 1.00 89.11 74 A 1 ATOM 609 N NE2 . GLN A 1 74 ? 4.268 -7.427 9.131 1.00 88.42 74 A 1 ATOM 610 N N . GLU A 1 75 ? 5.352 -8.645 15.287 1.00 96.29 75 A 1 ATOM 611 C CA . GLU A 1 75 ? 5.947 -8.192 16.549 1.00 96.02 75 A 1 ATOM 612 C C . GLU A 1 75 ? 6.427 -6.733 16.497 1.00 96.04 75 A 1 ATOM 613 O O . GLU A 1 75 ? 6.127 -5.945 17.393 1.00 94.94 75 A 1 ATOM 614 C CB . GLU A 1 75 ? 7.103 -9.139 16.897 1.00 95.21 75 A 1 ATOM 615 C CG . GLU A 1 75 ? 7.729 -8.833 18.262 1.00 84.87 75 A 1 ATOM 616 C CD . GLU A 1 75 ? 8.945 -9.722 18.580 1.00 76.48 75 A 1 ATOM 617 O OE1 . GLU A 1 75 ? 9.461 -9.595 19.713 1.00 69.90 75 A 1 ATOM 618 O OE2 . GLU A 1 75 ? 9.371 -10.494 17.688 1.00 70.09 75 A 1 ATOM 619 N N . TRP A 1 76 ? 7.116 -6.334 15.427 1.00 95.95 76 A 1 ATOM 620 C CA . TRP A 1 76 ? 7.593 -4.954 15.307 1.00 96.19 76 A 1 ATOM 621 C C . TRP A 1 76 ? 6.454 -3.931 15.244 1.00 96.57 76 A 1 ATOM 622 O O . TRP A 1 76 ? 6.604 -2.807 15.722 1.00 95.73 76 A 1 ATOM 623 C CB . TRP A 1 76 ? 8.519 -4.830 14.098 1.00 95.61 76 A 1 ATOM 624 C CG . TRP A 1 76 ? 7.844 -4.767 12.758 1.00 96.13 76 A 1 ATOM 625 C CD1 . TRP A 1 76 ? 7.652 -5.808 11.918 1.00 94.51 76 A 1 ATOM 626 C CD2 . TRP A 1 76 ? 7.285 -3.594 12.086 1.00 96.70 76 A 1 ATOM 627 N NE1 . TRP A 1 76 ? 7.010 -5.366 10.762 1.00 94.14 76 A 1 ATOM 628 C CE2 . TRP A 1 76 ? 6.769 -4.012 10.828 1.00 96.06 76 A 1 ATOM 629 C CE3 . TRP A 1 76 ? 7.179 -2.228 12.417 1.00 95.33 76 A 1 ATOM 630 C CZ2 . TRP A 1 76 ? 6.159 -3.105 9.927 1.00 95.18 76 A 1 ATOM 631 C CZ3 . TRP A 1 76 ? 6.569 -1.326 11.522 1.00 95.03 76 A 1 ATOM 632 C CH2 . TRP A 1 76 ? 6.065 -1.760 10.292 1.00 95.07 76 A 1 ATOM 633 N N . CYS A 1 77 ? 5.307 -4.318 14.703 1.00 96.43 77 A 1 ATOM 634 C CA . CYS A 1 77 ? 4.127 -3.456 14.647 1.00 96.33 77 A 1 ATOM 635 C C . CYS A 1 77 ? 3.458 -3.325 16.020 1.00 95.92 77 A 1 ATOM 636 O O . CYS A 1 77 ? 2.983 -2.246 16.365 1.00 95.26 77 A 1 ATOM 637 C CB . CYS A 1 77 ? 3.121 -4.012 13.631 1.00 96.42 77 A 1 ATOM 638 S SG . CYS A 1 77 ? 3.769 -3.960 11.928 1.00 95.99 77 A 1 ATOM 639 N N . THR A 1 78 ? 3.416 -4.398 16.793 1.00 96.14 78 A 1 ATOM 640 C CA . THR A 1 78 ? 2.761 -4.403 18.109 1.00 95.47 78 A 1 ATOM 641 C C . THR A 1 78 ? 3.622 -3.774 19.203 1.00 95.11 78 A 1 ATOM 642 O O . THR A 1 78 ? 3.073 -3.204 20.143 1.00 93.41 78 A 1 ATOM 643 C CB . THR A 1 78 ? 2.349 -5.820 18.528 1.00 94.84 78 A 1 ATOM 644 O OG1 . THR A 1 78 ? 3.458 -6.684 18.557 1.00 91.44 78 A 1 ATOM 645 C CG2 . THR A 1 78 ? 1.326 -6.429 17.562 1.00 90.82 78 A 1 ATOM 646 N N . THR A 1 79 ? 4.944 -3.835 19.077 1.00 96.00 79 A 1 ATOM 647 C CA . THR A 1 79 ? 5.881 -3.384 20.120 1.00 95.15 79 A 1 ATOM 648 C C . THR A 1 79 ? 6.598 -2.080 19.777 1.00 94.99 79 A 1 ATOM 649 O O . THR A 1 79 ? 6.781 -1.235 20.652 1.00 92.83 79 A 1 ATOM 650 C CB . THR A 1 79 ? 6.915 -4.471 20.440 1.00 94.01 79 A 1 ATOM 651 O OG1 . THR A 1 79 ? 7.671 -4.783 19.290 1.00 89.48 79 A 1 ATOM 652 C CG2 . THR A 1 79 ? 6.270 -5.763 20.948 1.00 87.09 79 A 1 ATOM 653 N N . ASN A 1 80 ? 6.986 -1.877 18.523 1.00 95.90 80 A 1 ATOM 654 C CA . ASN A 1 80 ? 7.877 -0.790 18.101 1.00 95.91 80 A 1 ATOM 655 C C . ASN A 1 80 ? 7.435 -0.123 16.789 1.00 96.66 80 A 1 ATOM 656 O O . ASN A 1 80 ? 8.268 0.328 15.996 1.00 95.58 80 A 1 ATOM 657 C CB . ASN A 1 80 ? 9.316 -1.332 18.026 1.00 93.32 80 A 1 ATOM 658 C CG . ASN A 1 80 ? 9.884 -1.670 19.391 1.00 84.29 80 A 1 ATOM 659 O OD1 . ASN A 1 80 ? 10.050 -0.813 20.239 1.00 75.97 80 A 1 ATOM 660 N ND2 . ASN A 1 80 ? 10.206 -2.920 19.633 1.00 74.51 80 A 1 ATOM 661 N N . PHE A 1 81 ? 6.136 -0.022 16.549 1.00 96.51 81 A 1 ATOM 662 C CA . PHE A 1 81 ? 5.608 0.506 15.283 1.00 96.93 81 A 1 ATOM 663 C C . PHE A 1 81 ? 6.176 1.881 14.917 1.00 97.05 81 A 1 ATOM 664 O O . PHE A 1 81 ? 6.510 2.122 13.758 1.00 96.98 81 A 1 ATOM 665 C CB . PHE A 1 81 ? 4.083 0.576 15.339 1.00 96.78 81 A 1 ATOM 666 C CG . PHE A 1 81 ? 3.468 0.988 14.019 1.00 97.04 81 A 1 ATOM 667 C CD1 . PHE A 1 81 ? 3.032 2.307 13.802 1.00 96.55 81 A 1 ATOM 668 C CD2 . PHE A 1 81 ? 3.372 0.050 12.970 1.00 96.49 81 A 1 ATOM 669 C CE1 . PHE A 1 81 ? 2.498 2.685 12.557 1.00 96.00 81 A 1 ATOM 670 C CE2 . PHE A 1 81 ? 2.841 0.424 11.725 1.00 95.85 81 A 1 ATOM 671 C CZ . PHE A 1 81 ? 2.405 1.742 11.520 1.00 96.10 81 A 1 ATOM 672 N N . ARG A 1 82 ? 6.343 2.761 15.898 1.00 96.76 82 A 1 ATOM 673 C CA . ARG A 1 82 ? 6.931 4.092 15.690 1.00 96.68 82 A 1 ATOM 674 C C . ARG A 1 82 ? 8.325 4.014 15.059 1.00 96.84 82 A 1 ATOM 675 O O . ARG A 1 82 ? 8.595 4.742 14.105 1.00 96.62 82 A 1 ATOM 676 C CB . ARG A 1 82 ? 6.966 4.840 17.035 1.00 95.80 82 A 1 ATOM 677 C CG . ARG A 1 82 ? 7.497 6.274 16.896 1.00 88.55 82 A 1 ATOM 678 C CD . ARG A 1 82 ? 7.678 6.947 18.265 1.00 83.72 82 A 1 ATOM 679 N NE . ARG A 1 82 ? 6.411 7.160 18.986 1.00 72.26 82 A 1 ATOM 680 C CZ . ARG A 1 82 ? 5.621 8.222 18.926 1.00 64.21 82 A 1 ATOM 681 N NH1 . ARG A 1 82 ? 5.900 9.249 18.176 1.00 57.89 82 A 1 ATOM 682 N NH2 . ARG A 1 82 ? 4.531 8.274 19.633 1.00 55.36 82 A 1 ATOM 683 N N . GLN A 1 83 ? 9.190 3.150 15.590 1.00 96.95 83 A 1 ATOM 684 C CA . GLN A 1 83 ? 10.558 2.979 15.100 1.00 97.10 83 A 1 ATOM 685 C C . GLN A 1 83 ? 10.555 2.359 13.698 1.00 97.41 83 A 1 ATOM 686 O O . GLN A 1 83 ? 11.176 2.907 12.784 1.00 97.36 83 A 1 ATOM 687 C CB . GLN A 1 83 ? 11.344 2.130 16.108 1.00 96.49 83 A 1 ATOM 688 C CG . GLN A 1 83 ? 12.808 1.900 15.690 1.00 87.95 83 A 1 ATOM 689 C CD . GLN A 1 83 ? 13.602 1.114 16.741 1.00 80.99 83 A 1 ATOM 690 O OE1 . GLN A 1 83 ? 13.136 0.860 17.838 1.00 74.21 83 A 1 ATOM 691 N NE2 . GLN A 1 83 ? 14.815 0.713 16.448 1.00 68.80 83 A 1 ATOM 692 N N . GLY A 1 84 ? 9.800 1.289 13.504 1.00 97.73 84 A 1 ATOM 693 C CA . GLY A 1 84 ? 9.671 0.655 12.193 1.00 97.74 84 A 1 ATOM 694 C C . GLY A 1 84 ? 9.136 1.615 11.124 1.00 97.88 84 A 1 ATOM 695 O O . GLY A 1 84 ? 9.705 1.724 10.037 1.00 97.71 84 A 1 ATOM 696 N N . LEU A 1 85 ? 8.100 2.378 11.447 1.00 97.60 85 A 1 ATOM 697 C CA . LEU A 1 85 ? 7.545 3.385 10.539 1.00 97.57 85 A 1 ATOM 698 C C . LEU A 1 85 ? 8.583 4.456 10.178 1.00 97.50 85 A 1 ATOM 699 O O . LEU A 1 85 ? 8.673 4.853 9.014 1.00 97.36 85 A 1 ATOM 700 C CB . LEU A 1 85 ? 6.292 4.001 11.182 1.00 97.36 85 A 1 ATOM 701 C CG . LEU A 1 85 ? 5.618 5.094 10.326 1.00 96.69 85 A 1 ATOM 702 C CD1 . LEU A 1 85 ? 5.155 4.568 8.966 1.00 95.98 85 A 1 ATOM 703 C CD2 . LEU A 1 85 ? 4.399 5.643 11.063 1.00 95.81 85 A 1 ATOM 704 N N . TRP A 1 86 ? 9.368 4.900 11.156 1.00 97.20 86 A 1 ATOM 705 C CA . TRP A 1 86 ? 10.429 5.873 10.918 1.00 96.87 86 A 1 ATOM 706 C C . TRP A 1 86 ? 11.479 5.335 9.933 1.00 97.06 86 A 1 ATOM 707 O O . TRP A 1 86 ? 11.765 6.008 8.938 1.00 96.62 86 A 1 ATOM 708 C CB . TRP A 1 86 ? 11.039 6.289 12.256 1.00 95.83 86 A 1 ATOM 709 C CG . TRP A 1 86 ? 12.042 7.386 12.125 1.00 84.19 86 A 1 ATOM 710 C CD1 . TRP A 1 86 ? 11.754 8.705 12.045 1.00 70.84 86 A 1 ATOM 711 C CD2 . TRP A 1 86 ? 13.496 7.276 12.004 1.00 76.65 86 A 1 ATOM 712 N NE1 . TRP A 1 86 ? 12.931 9.433 11.885 1.00 63.16 86 A 1 ATOM 713 C CE2 . TRP A 1 86 ? 14.017 8.586 11.851 1.00 71.33 86 A 1 ATOM 714 C CE3 . TRP A 1 86 ? 14.403 6.194 12.014 1.00 60.55 86 A 1 ATOM 715 C CZ2 . TRP A 1 86 ? 15.402 8.825 11.705 1.00 62.09 86 A 1 ATOM 716 C CZ3 . TRP A 1 86 ? 15.782 6.435 11.866 1.00 55.75 86 A 1 ATOM 717 C CH2 . TRP A 1 86 ? 16.270 7.735 11.711 1.00 57.80 86 A 1 ATOM 718 N N . HIS A 1 87 ? 11.933 4.094 10.121 1.00 97.46 87 A 1 ATOM 719 C CA . HIS A 1 87 ? 12.843 3.443 9.169 1.00 97.59 87 A 1 ATOM 720 C C . HIS A 1 87 ? 12.250 3.343 7.758 1.00 97.59 87 A 1 ATOM 721 O O . HIS A 1 87 ? 12.918 3.658 6.769 1.00 97.31 87 A 1 ATOM 722 C CB . HIS A 1 87 ? 13.202 2.040 9.676 1.00 97.64 87 A 1 ATOM 723 C CG . HIS A 1 87 ? 14.177 2.042 10.816 1.00 97.03 87 A 1 ATOM 724 N ND1 . HIS A 1 87 ? 15.445 2.606 10.794 1.00 88.15 87 A 1 ATOM 725 C CD2 . HIS A 1 87 ? 14.007 1.436 12.031 1.00 88.99 87 A 1 ATOM 726 C CE1 . HIS A 1 87 ? 16.020 2.335 11.973 1.00 91.82 87 A 1 ATOM 727 N NE2 . HIS A 1 87 ? 15.180 1.630 12.745 1.00 92.70 87 A 1 ATOM 728 N N . LEU A 1 88 ? 10.983 2.966 7.633 1.00 97.71 88 A 1 ATOM 729 C CA . LEU A 1 88 ? 10.335 2.884 6.319 1.00 97.68 88 A 1 ATOM 730 C C . LEU A 1 88 ? 10.263 4.252 5.624 1.00 97.42 88 A 1 ATOM 731 O O . LEU A 1 88 ? 10.486 4.339 4.415 1.00 96.88 88 A 1 ATOM 732 C CB . LEU A 1 88 ? 8.931 2.270 6.444 1.00 97.72 88 A 1 ATOM 733 C CG . LEU A 1 88 ? 8.883 0.797 6.904 1.00 97.42 88 A 1 ATOM 734 C CD1 . LEU A 1 88 ? 7.436 0.314 6.866 1.00 97.16 88 A 1 ATOM 735 C CD2 . LEU A 1 88 ? 9.734 -0.127 6.032 1.00 97.01 88 A 1 ATOM 736 N N . ILE A 1 89 ? 9.974 5.307 6.375 1.00 97.58 89 A 1 ATOM 737 C CA . ILE A 1 89 ? 9.945 6.676 5.851 1.00 97.31 89 A 1 ATOM 738 C C . ILE A 1 89 ? 11.342 7.109 5.394 1.00 96.72 89 A 1 ATOM 739 O O . ILE A 1 89 ? 11.486 7.633 4.287 1.00 95.82 89 A 1 ATOM 740 C CB . ILE A 1 89 ? 9.352 7.639 6.903 1.00 97.35 89 A 1 ATOM 741 C CG1 . ILE A 1 89 ? 7.837 7.374 7.055 1.00 96.84 89 A 1 ATOM 742 C CG2 . ILE A 1 89 ? 9.590 9.112 6.518 1.00 96.65 89 A 1 ATOM 743 C CD1 . ILE A 1 89 ? 7.221 8.020 8.301 1.00 95.68 89 A 1 ATOM 744 N N . GLU A 1 90 ? 12.353 6.864 6.206 1.00 96.85 90 A 1 ATOM 745 C CA . GLU A 1 90 ? 13.734 7.224 5.886 1.00 96.14 90 A 1 ATOM 746 C C . GLU A 1 90 ? 14.231 6.509 4.617 1.00 95.81 90 A 1 ATOM 747 O O . GLU A 1 90 ? 14.730 7.143 3.678 1.00 94.50 90 A 1 ATOM 748 C CB . GLU A 1 90 ? 14.623 6.904 7.103 1.00 94.97 90 A 1 ATOM 749 C CG . GLU A 1 90 ? 16.058 7.391 6.878 1.00 78.89 90 A 1 ATOM 750 C CD . GLU A 1 90 ? 16.992 7.112 8.064 1.00 73.23 90 A 1 ATOM 751 O OE1 . GLU A 1 90 ? 17.947 7.903 8.228 1.00 67.32 90 A 1 ATOM 752 O OE2 . GLU A 1 90 ? 16.768 6.111 8.779 1.00 67.92 90 A 1 ATOM 753 N N . LEU A 1 91 ? 14.015 5.197 4.538 1.00 96.30 91 A 1 ATOM 754 C CA . LEU A 1 91 ? 14.509 4.364 3.439 1.00 95.56 91 A 1 ATOM 755 C C . LEU A 1 91 ? 13.782 4.608 2.107 1.00 94.55 91 A 1 ATOM 756 O O . LEU A 1 91 ? 14.397 4.580 1.038 1.00 92.46 91 A 1 ATOM 757 C CB . LEU A 1 91 ? 14.383 2.888 3.849 1.00 95.49 91 A 1 ATOM 758 C CG . LEU A 1 91 ? 15.329 2.448 4.984 1.00 94.90 91 A 1 ATOM 759 C CD1 . LEU A 1 91 ? 14.953 1.033 5.412 1.00 93.63 91 A 1 ATOM 760 C CD2 . LEU A 1 91 ? 16.792 2.448 4.539 1.00 93.34 91 A 1 ATOM 761 N N . SER A 1 92 ? 12.461 4.823 2.145 1.00 95.08 92 A 1 ATOM 762 C CA . SER A 1 92 ? 11.639 4.912 0.923 1.00 93.48 92 A 1 ATOM 763 C C . SER A 1 92 ? 11.268 6.334 0.505 1.00 91.92 92 A 1 ATOM 764 O O . SER A 1 92 ? 10.822 6.547 -0.622 1.00 86.48 92 A 1 ATOM 765 C CB . SER A 1 92 ? 10.378 4.063 1.085 1.00 91.32 92 A 1 ATOM 766 O OG . SER A 1 92 ? 9.495 4.685 1.981 1.00 79.66 92 A 1 ATOM 767 N N . ARG A 1 93 ? 11.446 7.309 1.387 1.00 87.59 93 A 1 ATOM 768 C CA . ARG A 1 93 ? 11.112 8.743 1.217 1.00 86.83 93 A 1 ATOM 769 C C . ARG A 1 93 ? 9.635 9.066 0.954 1.00 87.62 93 A 1 ATOM 770 O O . ARG A 1 93 ? 9.315 10.216 0.754 1.00 81.32 93 A 1 ATOM 771 C CB . ARG A 1 93 ? 11.993 9.394 0.146 1.00 81.22 93 A 1 ATOM 772 C CG . ARG A 1 93 ? 13.494 9.302 0.432 1.00 71.39 93 A 1 ATOM 773 C CD . ARG A 1 93 ? 14.242 10.080 -0.653 1.00 68.86 93 A 1 ATOM 774 N NE . ARG A 1 93 ? 15.682 10.125 -0.378 1.00 59.90 93 A 1 ATOM 775 C CZ . ARG A 1 93 ? 16.584 10.800 -1.073 1.00 53.69 93 A 1 ATOM 776 N NH1 . ARG A 1 93 ? 16.259 11.489 -2.139 1.00 49.65 93 A 1 ATOM 777 N NH2 . ARG A 1 93 ? 17.833 10.792 -0.700 1.00 45.48 93 A 1 ATOM 778 N N . LYS A 1 94 ? 8.762 8.121 0.879 1.00 93.88 94 A 1 ATOM 779 C CA . LYS A 1 94 ? 7.297 8.268 0.961 1.00 95.70 94 A 1 ATOM 780 C C . LYS A 1 94 ? 6.644 6.894 0.763 1.00 96.84 94 A 1 ATOM 781 O O . LYS A 1 94 ? 6.150 6.614 -0.334 1.00 96.33 94 A 1 ATOM 782 C CB . LYS A 1 94 ? 6.777 9.326 -0.040 1.00 94.31 94 A 1 ATOM 783 C CG . LYS A 1 94 ? 5.358 9.768 0.342 1.00 90.73 94 A 1 ATOM 784 C CD . LYS A 1 94 ? 4.944 11.080 -0.317 1.00 89.01 94 A 1 ATOM 785 C CE . LYS A 1 94 ? 3.559 11.434 0.237 1.00 84.82 94 A 1 ATOM 786 N NZ . LYS A 1 94 ? 3.118 12.808 -0.126 1.00 77.01 94 A 1 ATOM 787 N N . PRO A 1 95 ? 6.659 6.025 1.782 1.00 97.53 95 A 1 ATOM 788 C CA . PRO A 1 95 ? 6.049 4.705 1.668 1.00 97.81 95 A 1 ATOM 789 C C . PRO A 1 95 ? 4.547 4.810 1.406 1.00 98.11 95 A 1 ATOM 790 O O . PRO A 1 95 ? 3.864 5.716 1.898 1.00 97.86 95 A 1 ATOM 791 C CB . PRO A 1 95 ? 6.364 3.985 2.982 1.00 97.24 95 A 1 ATOM 792 C CG . PRO A 1 95 ? 6.577 5.123 3.976 1.00 94.88 95 A 1 ATOM 793 C CD . PRO A 1 95 ? 7.194 6.221 3.121 1.00 97.26 95 A 1 ATOM 794 N N . ILE A 1 96 ? 4.051 3.876 0.619 1.00 98.22 96 A 1 ATOM 795 C CA . ILE A 1 96 ? 2.639 3.755 0.271 1.00 98.36 96 A 1 ATOM 796 C C . ILE A 1 96 ? 2.047 2.658 1.153 1.00 98.41 96 A 1 ATOM 797 O O . ILE A 1 96 ? 2.449 1.503 1.051 1.00 98.29 96 A 1 ATOM 798 C CB . ILE A 1 96 ? 2.472 3.441 -1.230 1.00 98.34 96 A 1 ATOM 799 C CG1 . ILE A 1 96 ? 3.123 4.522 -2.123 1.00 97.93 96 A 1 ATOM 800 C CG2 . ILE A 1 96 ? 0.978 3.291 -1.576 1.00 97.95 96 A 1 ATOM 801 C CD1 . ILE A 1 96 ? 3.356 4.060 -3.569 1.00 97.13 96 A 1 ATOM 802 N N . PHE A 1 97 ? 1.083 3.003 1.985 1.00 98.19 97 A 1 ATOM 803 C CA . PHE A 1 97 ? 0.361 2.058 2.823 1.00 98.21 97 A 1 ATOM 804 C C . PHE A 1 97 ? -1.029 1.821 2.245 1.00 98.08 97 A 1 ATOM 805 O O . PHE A 1 97 ? -1.819 2.753 2.106 1.00 97.62 97 A 1 ATOM 806 C CB . PHE A 1 97 ? 0.304 2.574 4.260 1.00 98.07 97 A 1 ATOM 807 C CG . PHE A 1 97 ? 1.662 2.637 4.924 1.00 97.97 97 A 1 ATOM 808 C CD1 . PHE A 1 97 ? 2.281 1.462 5.380 1.00 96.96 97 A 1 ATOM 809 C CD2 . PHE A 1 97 ? 2.328 3.867 5.078 1.00 96.86 97 A 1 ATOM 810 C CE1 . PHE A 1 97 ? 3.544 1.508 5.995 1.00 96.10 97 A 1 ATOM 811 C CE2 . PHE A 1 97 ? 3.591 3.918 5.688 1.00 95.98 97 A 1 ATOM 812 C CZ . PHE A 1 97 ? 4.198 2.735 6.150 1.00 96.53 97 A 1 ATOM 813 N N . ILE A 1 98 ? -1.320 0.570 1.927 1.00 98.24 98 A 1 ATOM 814 C CA . ILE A 1 98 ? -2.668 0.150 1.551 1.00 98.33 98 A 1 ATOM 815 C C . ILE A 1 98 ? -3.350 -0.385 2.804 1.00 98.15 98 A 1 ATOM 816 O O . ILE A 1 98 ? -2.862 -1.331 3.414 1.00 97.89 98 A 1 ATOM 817 C CB . ILE A 1 98 ? -2.640 -0.879 0.405 1.00 98.47 98 A 1 ATOM 818 C CG1 . ILE A 1 98 ? -1.995 -0.253 -0.854 1.00 98.24 98 A 1 ATOM 819 C CG2 . ILE A 1 98 ? -4.069 -1.377 0.112 1.00 98.35 98 A 1 ATOM 820 C CD1 . ILE A 1 98 ? -1.771 -1.244 -2.003 1.00 97.95 98 A 1 ATOM 821 N N . ILE A 1 99 ? -4.483 0.197 3.163 1.00 97.53 99 A 1 ATOM 822 C CA . ILE A 1 99 ? -5.325 -0.264 4.269 1.00 97.34 99 A 1 ATOM 823 C C . ILE A 1 99 ? -6.643 -0.804 3.721 1.00 97.62 99 A 1 ATOM 824 O O . ILE A 1 99 ? -7.171 -0.300 2.727 1.00 97.35 99 A 1 ATOM 825 C CB . ILE A 1 99 ? -5.535 0.837 5.334 1.00 96.20 99 A 1 ATOM 826 C CG1 . ILE A 1 99 ? -6.239 2.091 4.766 1.00 86.48 99 A 1 ATOM 827 C CG2 . ILE A 1 99 ? -4.189 1.194 5.987 1.00 82.10 99 A 1 ATOM 828 C CD1 . ILE A 1 99 ? -6.622 3.129 5.828 1.00 76.97 99 A 1 ATOM 829 N N . PHE A 1 100 ? -7.199 -1.817 4.381 1.00 97.48 100 A 1 ATOM 830 C CA . PHE A 1 100 ? -8.523 -2.322 4.035 1.00 97.49 100 A 1 ATOM 831 C C . PHE A 1 100 ? -9.594 -1.572 4.824 1.00 96.92 100 A 1 ATOM 832 O O . PHE A 1 100 ? -9.560 -1.543 6.049 1.00 95.90 100 A 1 ATOM 833 C CB . PHE A 1 100 ? -8.588 -3.831 4.269 1.00 97.49 100 A 1 ATOM 834 C CG . PHE A 1 100 ? -7.646 -4.621 3.386 1.00 97.80 100 A 1 ATOM 835 C CD1 . PHE A 1 100 ? -7.872 -4.697 2.000 1.00 97.03 100 A 1 ATOM 836 C CD2 . PHE A 1 100 ? -6.533 -5.279 3.940 1.00 97.03 100 A 1 ATOM 837 C CE1 . PHE A 1 100 ? -6.999 -5.427 1.177 1.00 96.69 100 A 1 ATOM 838 C CE2 . PHE A 1 100 ? -5.657 -6.010 3.122 1.00 96.71 100 A 1 ATOM 839 C CZ . PHE A 1 100 ? -5.893 -6.083 1.738 1.00 97.01 100 A 1 ATOM 840 N N . GLN A 1 101 ? -10.577 -1.017 4.134 1.00 96.49 101 A 1 ATOM 841 C CA . GLN A 1 101 ? -11.669 -0.265 4.768 1.00 95.97 101 A 1 ATOM 842 C C . GLN A 1 101 ? -12.426 -1.106 5.808 1.00 95.35 101 A 1 ATOM 843 O O . GLN A 1 101 ? -12.801 -0.596 6.862 1.00 94.35 101 A 1 ATOM 844 C CB . GLN A 1 101 ? -12.621 0.227 3.670 1.00 95.30 101 A 1 ATOM 845 C CG . GLN A 1 101 ? -13.707 1.162 4.217 1.00 88.85 101 A 1 ATOM 846 C CD . GLN A 1 101 ? -14.674 1.641 3.131 1.00 84.64 101 A 1 ATOM 847 O OE1 . GLN A 1 101 ? -14.700 1.167 2.009 1.00 76.75 101 A 1 ATOM 848 N NE2 . GLN A 1 101 ? -15.521 2.597 3.440 1.00 73.99 101 A 1 ATOM 849 N N . SER A 1 102 ? -12.608 -2.399 5.536 1.00 95.35 102 A 1 ATOM 850 C CA . SER A 1 102 ? -13.256 -3.345 6.453 1.00 94.74 102 A 1 ATOM 851 C C . SER A 1 102 ? -12.485 -3.561 7.756 1.00 94.68 102 A 1 ATOM 852 O O . SER A 1 102 ? -13.090 -3.910 8.764 1.00 93.13 102 A 1 ATOM 853 C CB . SER A 1 102 ? -13.440 -4.696 5.750 1.00 94.13 102 A 1 ATOM 854 O OG . SER A 1 102 ? -12.206 -5.158 5.225 1.00 90.58 102 A 1 ATOM 855 N N . GLN A 1 103 ? -11.175 -3.336 7.746 1.00 94.50 103 A 1 ATOM 856 C CA . GLN A 1 103 ? -10.280 -3.548 8.887 1.00 93.74 103 A 1 ATOM 857 C C . GLN A 1 103 ? -9.877 -2.238 9.574 1.00 93.20 103 A 1 ATOM 858 O O . GLN A 1 103 ? -9.291 -2.262 10.649 1.00 91.20 103 A 1 ATOM 859 C CB . GLN A 1 103 ? -9.035 -4.314 8.420 1.00 92.47 103 A 1 ATOM 860 C CG . GLN A 1 103 ? -9.360 -5.695 7.824 1.00 91.26 103 A 1 ATOM 861 C CD . GLN A 1 103 ? -8.114 -6.423 7.316 1.00 92.15 103 A 1 ATOM 862 O OE1 . GLN A 1 103 ? -7.001 -5.936 7.375 1.00 88.31 103 A 1 ATOM 863 N NE2 . GLN A 1 103 ? -8.262 -7.615 6.780 1.00 88.41 103 A 1 ATOM 864 N N . GLN A 1 104 ? -10.210 -1.095 8.998 1.00 90.97 104 A 1 ATOM 865 C CA . GLN A 1 104 ? -9.744 0.206 9.493 1.00 89.36 104 A 1 ATOM 866 C C . GLN A 1 104 ? -10.102 0.462 10.965 1.00 89.49 104 A 1 ATOM 867 O O . GLN A 1 104 ? -9.313 1.053 11.703 1.00 87.68 104 A 1 ATOM 868 C CB . GLN A 1 104 ? -10.315 1.301 8.588 1.00 85.96 104 A 1 ATOM 869 C CG . GLN A 1 104 ? -9.732 2.683 8.916 1.00 77.66 104 A 1 ATOM 870 C CD . GLN A 1 104 ? -10.231 3.781 7.978 1.00 74.69 104 A 1 ATOM 871 O OE1 . GLN A 1 104 ? -11.085 3.591 7.134 1.00 68.21 104 A 1 ATOM 872 N NE2 . GLN A 1 104 ? -9.712 4.980 8.102 1.00 64.88 104 A 1 ATOM 873 N N . LYS A 1 105 ? -11.267 0.001 11.414 1.00 91.44 105 A 1 ATOM 874 C CA . LYS A 1 105 ? -11.714 0.133 12.812 1.00 91.71 105 A 1 ATOM 875 C C . LYS A 1 105 ? -10.981 -0.804 13.779 1.00 92.34 105 A 1 ATOM 876 O O . LYS A 1 105 ? -11.079 -0.606 14.981 1.00 90.15 105 A 1 ATOM 877 C CB . LYS A 1 105 ? -13.226 -0.105 12.910 1.00 90.45 105 A 1 ATOM 878 C CG . LYS A 1 105 ? -14.047 0.982 12.196 1.00 82.28 105 A 1 ATOM 879 C CD . LYS A 1 105 ? -15.541 0.734 12.438 1.00 75.47 105 A 1 ATOM 880 C CE . LYS A 1 105 ? -16.386 1.811 11.755 1.00 65.20 105 A 1 ATOM 881 N NZ . LYS A 1 105 ? -17.839 1.596 11.993 1.00 55.68 105 A 1 ATOM 882 N N . GLN A 1 106 ? -10.297 -1.819 13.268 1.00 91.06 106 A 1 ATOM 883 C CA . GLN A 1 106 ? -9.550 -2.804 14.055 1.00 91.19 106 A 1 ATOM 884 C C . GLN A 1 106 ? -8.093 -2.373 14.270 1.00 92.14 106 A 1 ATOM 885 O O . GLN A 1 106 ? -7.410 -2.927 15.122 1.00 90.51 106 A 1 ATOM 886 C CB . GLN A 1 106 ? -9.615 -4.169 13.352 1.00 89.21 106 A 1 ATOM 887 C CG . GLN A 1 106 ? -11.046 -4.713 13.224 1.00 81.47 106 A 1 ATOM 888 C CD . GLN A 1 106 ? -11.149 -5.906 12.271 1.00 74.70 106 A 1 ATOM 889 O OE1 . GLN A 1 106 ? -10.367 -6.088 11.363 1.00 66.63 106 A 1 ATOM 890 N NE2 . GLN A 1 106 ? -12.152 -6.746 12.413 1.00 64.01 106 A 1 ATOM 891 N N . ILE A 1 107 ? -7.616 -1.382 13.523 1.00 91.01 107 A 1 ATOM 892 C CA . ILE A 1 107 ? -6.288 -0.798 13.730 1.00 91.09 107 A 1 ATOM 893 C C . ILE A 1 107 ? -6.263 -0.124 15.106 1.00 91.49 107 A 1 ATOM 894 O O . ILE A 1 107 ? -7.146 0.676 15.426 1.00 90.77 107 A 1 ATOM 895 C CB . ILE A 1 107 ? -5.918 0.178 12.593 1.00 90.38 107 A 1 ATOM 896 C CG1 . ILE A 1 107 ? -6.007 -0.519 11.216 1.00 87.68 107 A 1 ATOM 897 C CG2 . ILE A 1 107 ? -4.500 0.736 12.824 1.00 88.00 107 A 1 ATOM 898 C CD1 . ILE A 1 107 ? -5.691 0.385 10.019 1.00 84.62 107 A 1 ATOM 899 N N . SER A 1 108 ? -5.238 -0.425 15.901 1.00 92.91 108 A 1 ATOM 900 C CA . SER A 1 108 ? -5.103 0.139 17.241 1.00 92.80 108 A 1 ATOM 901 C C . SER A 1 108 ? -5.064 1.670 17.201 1.00 93.46 108 A 1 ATOM 902 O O . SER A 1 108 ? -4.664 2.297 16.211 1.00 92.99 108 A 1 ATOM 903 C CB . SER A 1 108 ? -3.880 -0.444 17.972 1.00 91.23 108 A 1 ATOM 904 O OG . SER A 1 108 ? -2.684 0.160 17.523 1.00 87.23 108 A 1 ATOM 905 N N . GLN A 1 109 ? -5.489 2.297 18.295 1.00 93.27 109 A 1 ATOM 906 C CA . GLN A 1 109 ? -5.461 3.757 18.394 1.00 93.58 109 A 1 ATOM 907 C C . GLN A 1 109 ? -4.034 4.302 18.288 1.00 94.32 109 A 1 ATOM 908 O O . GLN A 1 109 ? -3.826 5.313 17.614 1.00 93.83 109 A 1 ATOM 909 C CB . GLN A 1 109 ? -6.098 4.212 19.708 1.00 92.71 109 A 1 ATOM 910 C CG . GLN A 1 109 ? -7.619 3.983 19.734 1.00 81.37 109 A 1 ATOM 911 C CD . GLN A 1 109 ? -8.265 4.558 20.997 1.00 73.68 109 A 1 ATOM 912 O OE1 . GLN A 1 109 ? -7.617 5.023 21.917 1.00 66.74 109 A 1 ATOM 913 N NE2 . GLN A 1 109 ? -9.575 4.560 21.087 1.00 63.35 109 A 1 ATOM 914 N N . ASP A 1 110 ? -3.066 3.613 18.889 1.00 94.07 110 A 1 ATOM 915 C CA . ASP A 1 110 ? -1.660 4.014 18.840 1.00 94.02 110 A 1 ATOM 916 C C . ASP A 1 110 ? -1.116 3.978 17.403 1.00 95.02 110 A 1 ATOM 917 O O . ASP A 1 110 ? -0.673 5.008 16.885 1.00 94.57 110 A 1 ATOM 918 C CB . ASP A 1 110 ? -0.830 3.138 19.790 1.00 92.46 110 A 1 ATOM 919 C CG . ASP A 1 110 ? 0.625 3.616 19.791 1.00 78.35 110 A 1 ATOM 920 O OD1 . ASP A 1 110 ? 0.842 4.795 20.155 1.00 71.18 110 A 1 ATOM 921 O OD2 . ASP A 1 110 ? 1.490 2.840 19.342 1.00 69.68 110 A 1 ATOM 922 N N . ILE A 1 111 ? -1.264 2.859 16.693 1.00 94.89 111 A 1 ATOM 923 C CA . ILE A 1 111 ? -0.848 2.749 15.285 1.00 95.36 111 A 1 ATOM 924 C C . ILE A 1 111 ? -1.551 3.803 14.419 1.00 95.61 111 A 1 ATOM 925 O O . ILE A 1 111 ? -0.916 4.501 13.623 1.00 95.49 111 A 1 ATOM 926 C CB . ILE A 1 111 ? -1.100 1.319 14.758 1.00 95.38 111 A 1 ATOM 927 C CG1 . ILE A 1 111 ? -0.124 0.339 15.447 1.00 94.35 111 A 1 ATOM 928 C CG2 . ILE A 1 111 ? -0.959 1.259 13.227 1.00 94.49 111 A 1 ATOM 929 C CD1 . ILE A 1 111 ? -0.362 -1.139 15.121 1.00 91.14 111 A 1 ATOM 930 N N . SER A 1 112 ? -2.854 3.982 14.614 1.00 94.77 112 A 1 ATOM 931 C CA . SER A 1 112 ? -3.616 5.012 13.900 1.00 94.14 112 A 1 ATOM 932 C C . SER A 1 112 ? -3.094 6.426 14.179 1.00 94.67 112 A 1 ATOM 933 O O . SER A 1 112 ? -3.129 7.290 13.297 1.00 94.43 112 A 1 ATOM 934 C CB . SER A 1 112 ? -5.089 4.954 14.303 1.00 92.62 112 A 1 ATOM 935 O OG . SER A 1 112 ? -5.678 3.729 13.929 1.00 79.45 112 A 1 ATOM 936 N N . GLN A 1 113 ? -2.637 6.681 15.393 1.00 94.94 113 A 1 ATOM 937 C CA . GLN A 1 113 ? -2.026 7.948 15.766 1.00 95.13 113 A 1 ATOM 938 C C . GLN A 1 113 ? -0.651 8.115 15.118 1.00 95.49 113 A 1 ATOM 939 O O . GLN A 1 113 ? -0.390 9.182 14.557 1.00 95.43 113 A 1 ATOM 940 C CB . GLN A 1 113 ? -1.977 8.066 17.290 1.00 94.81 113 A 1 ATOM 941 C CG . GLN A 1 113 ? -1.416 9.423 17.746 1.00 82.20 113 A 1 ATOM 942 C CD . GLN A 1 113 ? -1.437 9.594 19.268 1.00 76.48 113 A 1 ATOM 943 O OE1 . GLN A 1 113 ? -1.938 8.780 20.007 1.00 69.15 113 A 1 ATOM 944 N NE2 . GLN A 1 113 ? -0.903 10.678 19.779 1.00 64.77 113 A 1 ATOM 945 N N . GLN A 1 114 ? 0.188 7.081 15.111 1.00 95.68 114 A 1 ATOM 946 C CA . GLN A 1 114 ? 1.499 7.121 14.445 1.00 95.73 114 A 1 ATOM 947 C C . GLN A 1 114 ? 1.352 7.430 12.951 1.00 95.89 114 A 1 ATOM 948 O O . GLN A 1 114 ? 2.002 8.338 12.430 1.00 95.36 114 A 1 ATOM 949 C CB . GLN A 1 114 ? 2.257 5.789 14.615 1.00 95.54 114 A 1 ATOM 950 C CG . GLN A 1 114 ? 2.575 5.358 16.056 1.00 91.26 114 A 1 ATOM 951 C CD . GLN A 1 114 ? 3.230 6.442 16.881 1.00 86.38 114 A 1 ATOM 952 O OE1 . GLN A 1 114 ? 4.138 7.136 16.454 1.00 76.18 114 A 1 ATOM 953 N NE2 . GLN A 1 114 ? 2.772 6.625 18.102 1.00 73.33 114 A 1 ATOM 954 N N . LEU A 1 115 ? 0.446 6.735 12.274 1.00 95.97 115 A 1 ATOM 955 C CA . LEU A 1 115 ? 0.170 6.970 10.855 1.00 95.61 115 A 1 ATOM 956 C C . LEU A 1 115 ? -0.302 8.408 10.599 1.00 95.44 115 A 1 ATOM 957 O O . LEU A 1 115 ? 0.174 9.050 9.664 1.00 94.93 115 A 1 ATOM 958 C CB . LEU A 1 115 ? -0.874 5.957 10.363 1.00 95.74 115 A 1 ATOM 959 C CG . LEU A 1 115 ? -0.385 4.499 10.306 1.00 95.34 115 A 1 ATOM 960 C CD1 . LEU A 1 115 ? -1.571 3.582 10.019 1.00 94.54 115 A 1 ATOM 961 C CD2 . LEU A 1 115 ? 0.667 4.283 9.222 1.00 94.33 115 A 1 ATOM 962 N N . ARG A 1 116 ? -1.190 8.949 11.444 1.00 94.93 116 A 1 ATOM 963 C CA . ARG A 1 116 ? -1.640 10.347 11.323 1.00 94.27 116 A 1 ATOM 964 C C . ARG A 1 116 ? -0.510 11.351 11.562 1.00 94.52 116 A 1 ATOM 965 O O . ARG A 1 116 ? -0.427 12.330 10.829 1.00 93.88 116 A 1 ATOM 966 C CB . ARG A 1 116 ? -2.796 10.630 12.284 1.00 93.05 116 A 1 ATOM 967 C CG . ARG A 1 116 ? -4.123 10.061 11.756 1.00 80.95 116 A 1 ATOM 968 C CD . ARG A 1 116 ? -5.293 10.452 12.662 1.00 78.61 116 A 1 ATOM 969 N NE . ARG A 1 116 ? -5.176 9.840 13.997 1.00 68.30 116 A 1 ATOM 970 C CZ . ARG A 1 116 ? -6.103 9.152 14.652 1.00 61.01 116 A 1 ATOM 971 N NH1 . ARG A 1 116 ? -7.288 8.949 14.153 1.00 55.68 116 A 1 ATOM 972 N NH2 . ARG A 1 116 ? -5.850 8.651 15.831 1.00 53.94 116 A 1 ATOM 973 N N . GLN A 1 117 ? 0.342 11.104 12.548 1.00 95.02 117 A 1 ATOM 974 C CA . GLN A 1 117 ? 1.479 11.985 12.842 1.00 94.98 117 A 1 ATOM 975 C C . GLN A 1 117 ? 2.457 12.074 11.666 1.00 95.06 117 A 1 ATOM 976 O O . GLN A 1 117 ? 3.000 13.145 11.395 1.00 94.11 117 A 1 ATOM 977 C CB . GLN A 1 117 ? 2.213 11.479 14.090 1.00 94.17 117 A 1 ATOM 978 C CG . GLN A 1 117 ? 1.452 11.819 15.380 1.00 83.21 117 A 1 ATOM 979 C CD . GLN A 1 117 ? 2.104 11.230 16.636 1.00 79.88 117 A 1 ATOM 980 O OE1 . GLN A 1 117 ? 2.996 10.403 16.604 1.00 73.38 117 A 1 ATOM 981 N NE2 . GLN A 1 117 ? 1.669 11.648 17.808 1.00 70.02 117 A 1 ATOM 982 N N . HIS A 1 118 ? 2.628 10.981 10.933 1.00 95.77 118 A 1 ATOM 983 C CA . HIS A 1 118 ? 3.520 10.911 9.780 1.00 95.64 118 A 1 ATOM 984 C C . HIS A 1 118 ? 2.806 11.077 8.430 1.00 95.95 118 A 1 ATOM 985 O O . HIS A 1 118 ? 3.422 10.878 7.384 1.00 94.63 118 A 1 ATOM 986 C CB . HIS A 1 118 ? 4.342 9.628 9.875 1.00 94.94 118 A 1 ATOM 987 C CG . HIS A 1 118 ? 5.328 9.677 11.010 1.00 93.29 118 A 1 ATOM 988 N ND1 . HIS A 1 118 ? 6.501 10.404 11.028 1.00 81.86 118 A 1 ATOM 989 C CD2 . HIS A 1 118 ? 5.230 9.053 12.230 1.00 81.97 118 A 1 ATOM 990 C CE1 . HIS A 1 118 ? 7.094 10.213 12.217 1.00 83.43 118 A 1 ATOM 991 N NE2 . HIS A 1 118 ? 6.352 9.401 12.978 1.00 85.66 118 A 1 ATOM 992 N N . GLN A 1 119 ? 1.539 11.480 8.417 1.00 94.22 119 A 1 ATOM 993 C CA . GLN A 1 119 ? 0.734 11.594 7.192 1.00 93.25 119 A 1 ATOM 994 C C . GLN A 1 119 ? 1.411 12.397 6.055 1.00 94.10 119 A 1 ATOM 995 O O . GLN A 1 119 ? 1.327 11.965 4.898 1.00 93.11 119 A 1 ATOM 996 C CB . GLN A 1 119 ? -0.649 12.147 7.559 1.00 90.53 119 A 1 ATOM 997 C CG . GLN A 1 119 ? -1.636 12.061 6.390 1.00 77.08 119 A 1 ATOM 998 C CD . GLN A 1 119 ? -3.032 12.576 6.740 1.00 70.93 119 A 1 ATOM 999 O OE1 . GLN A 1 119 ? -3.301 13.108 7.803 1.00 63.61 119 A 1 ATOM 1000 N NE2 . GLN A 1 119 ? -3.976 12.442 5.839 1.00 60.17 119 A 1 ATOM 1001 N N . PRO A 1 120 ? 2.135 13.499 6.308 1.00 94.51 120 A 1 ATOM 1002 C CA . PRO A 1 120 ? 2.848 14.222 5.246 1.00 94.78 120 A 1 ATOM 1003 C C . PRO A 1 120 ? 3.959 13.404 4.569 1.00 95.40 120 A 1 ATOM 1004 O O . PRO A 1 120 ? 4.266 13.613 3.390 1.00 93.44 120 A 1 ATOM 1005 C CB . PRO A 1 120 ? 3.422 15.468 5.930 1.00 93.16 120 A 1 ATOM 1006 C CG . PRO A 1 120 ? 2.541 15.657 7.163 1.00 89.85 120 A 1 ATOM 1007 C CD . PRO A 1 120 ? 2.229 14.221 7.565 1.00 92.86 120 A 1 ATOM 1008 N N . SER A 1 121 ? 4.545 12.456 5.303 1.00 96.69 121 A 1 ATOM 1009 C CA . SER A 1 121 ? 5.694 11.646 4.883 1.00 97.07 121 A 1 ATOM 1010 C C . SER A 1 121 ? 5.305 10.280 4.319 1.00 97.43 121 A 1 ATOM 1011 O O . SER A 1 121 ? 6.172 9.542 3.845 1.00 96.59 121 A 1 ATOM 1012 C CB . SER A 1 121 ? 6.659 11.465 6.058 1.00 96.13 121 A 1 ATOM 1013 O OG . SER A 1 121 ? 7.072 12.728 6.545 1.00 89.42 121 A 1 ATOM 1014 N N . ILE A 1 122 ? 4.019 9.946 4.331 1.00 97.86 122 A 1 ATOM 1015 C CA . ILE A 1 122 ? 3.493 8.676 3.823 1.00 97.90 122 A 1 ATOM 1016 C C . ILE A 1 122 ? 2.396 8.910 2.783 1.00 97.78 122 A 1 ATOM 1017 O O . ILE A 1 122 ? 1.931 10.032 2.561 1.00 97.14 122 A 1 ATOM 1018 C CB . ILE A 1 122 ? 3.051 7.745 4.981 1.00 97.66 122 A 1 ATOM 1019 C CG1 . ILE A 1 122 ? 1.800 8.274 5.702 1.00 96.62 122 A 1 ATOM 1020 C CG2 . ILE A 1 122 ? 4.223 7.523 5.954 1.00 95.72 122 A 1 ATOM 1021 C CD1 . ILE A 1 122 ? 1.291 7.370 6.833 1.00 95.38 122 A 1 ATOM 1022 N N . THR A 1 123 ? 1.989 7.863 2.099 1.00 97.60 123 A 1 ATOM 1023 C CA . THR A 1 123 ? 0.773 7.864 1.285 1.00 97.60 123 A 1 ATOM 1024 C C . THR A 1 123 ? -0.116 6.740 1.779 1.00 97.78 123 A 1 ATOM 1025 O O . THR A 1 123 ? 0.289 5.589 1.729 1.00 97.47 123 A 1 ATOM 1026 C CB . THR A 1 123 ? 1.100 7.706 -0.206 1.00 97.19 123 A 1 ATOM 1027 O OG1 . THR A 1 123 ? 1.914 8.785 -0.626 1.00 94.89 123 A 1 ATOM 1028 C CG2 . THR A 1 123 ? -0.152 7.726 -1.078 1.00 95.14 123 A 1 ATOM 1029 N N . MET A 1 124 ? -1.307 7.057 2.254 1.00 96.87 124 A 1 ATOM 1030 C CA . MET A 1 124 ? -2.291 6.051 2.658 1.00 96.58 124 A 1 ATOM 1031 C C . MET A 1 124 ? -3.378 5.958 1.597 1.00 96.84 124 A 1 ATOM 1032 O O . MET A 1 124 ? -3.940 6.978 1.207 1.00 96.25 124 A 1 ATOM 1033 C CB . MET A 1 124 ? -2.885 6.387 4.026 1.00 95.33 124 A 1 ATOM 1034 C CG . MET A 1 124 ? -1.847 6.236 5.143 1.00 86.60 124 A 1 ATOM 1035 S SD . MET A 1 124 ? -2.467 6.567 6.813 1.00 80.14 124 A 1 ATOM 1036 C CE . MET A 1 124 ? -3.700 5.253 6.988 1.00 68.93 124 A 1 ATOM 1037 N N . ILE A 1 125 ? -3.664 4.736 1.148 1.00 97.35 125 A 1 ATOM 1038 C CA . ILE A 1 125 ? -4.715 4.479 0.165 1.00 97.57 125 A 1 ATOM 1039 C C . ILE A 1 125 ? -5.629 3.390 0.723 1.00 97.53 125 A 1 ATOM 1040 O O . ILE A 1 125 ? -5.165 2.341 1.158 1.00 97.35 125 A 1 ATOM 1041 C CB . ILE A 1 125 ? -4.138 4.096 -1.217 1.00 97.69 125 A 1 ATOM 1042 C CG1 . ILE A 1 125 ? -3.010 5.061 -1.660 1.00 95.80 125 A 1 ATOM 1043 C CG2 . ILE A 1 125 ? -5.283 4.104 -2.248 1.00 94.47 125 A 1 ATOM 1044 C CD1 . ILE A 1 125 ? -2.390 4.722 -3.020 1.00 95.04 125 A 1 ATOM 1045 N N . THR A 1 126 ? -6.930 3.628 0.709 1.00 97.32 126 A 1 ATOM 1046 C CA . THR A 1 126 ? -7.905 2.687 1.263 1.00 97.43 126 A 1 ATOM 1047 C C . THR A 1 126 ? -8.491 1.806 0.167 1.00 97.88 126 A 1 ATOM 1048 O O . THR A 1 126 ? -9.084 2.296 -0.797 1.00 97.83 126 A 1 ATOM 1049 C CB . THR A 1 126 ? -9.008 3.418 2.039 1.00 96.51 126 A 1 ATOM 1050 O OG1 . THR A 1 126 ? -8.431 4.240 3.028 1.00 92.15 126 A 1 ATOM 1051 C CG2 . THR A 1 126 ? -9.938 2.445 2.763 1.00 92.22 126 A 1 ATOM 1052 N N . TRP A 1 127 ? -8.354 0.498 0.332 1.00 97.93 127 A 1 ATOM 1053 C CA . TRP A 1 127 ? -9.060 -0.500 -0.464 1.00 98.10 127 A 1 ATOM 1054 C C . TRP A 1 127 ? -10.435 -0.779 0.141 1.00 97.96 127 A 1 ATOM 1055 O O . TRP A 1 127 ? -10.552 -1.254 1.269 1.00 97.52 127 A 1 ATOM 1056 C CB . TRP A 1 127 ? -8.229 -1.777 -0.565 1.00 98.14 127 A 1 ATOM 1057 C CG . TRP A 1 127 ? -8.893 -2.834 -1.390 1.00 98.24 127 A 1 ATOM 1058 C CD1 . TRP A 1 127 ? -9.673 -3.834 -0.918 1.00 97.77 127 A 1 ATOM 1059 C CD2 . TRP A 1 127 ? -8.891 -2.965 -2.844 1.00 98.13 127 A 1 ATOM 1060 N NE1 . TRP A 1 127 ? -10.144 -4.595 -1.986 1.00 97.51 127 A 1 ATOM 1061 C CE2 . TRP A 1 127 ? -9.687 -4.091 -3.183 1.00 97.85 127 A 1 ATOM 1062 C CE3 . TRP A 1 127 ? -8.287 -2.246 -3.892 1.00 97.76 127 A 1 ATOM 1063 C CZ2 . TRP A 1 127 ? -9.885 -4.487 -4.526 1.00 97.44 127 A 1 ATOM 1064 C CZ3 . TRP A 1 127 ? -8.480 -2.640 -5.226 1.00 97.31 127 A 1 ATOM 1065 C CH2 . TRP A 1 127 ? -9.276 -3.748 -5.537 1.00 97.25 127 A 1 ATOM 1066 N N . GLY A 1 128 ? -11.485 -0.515 -0.613 1.00 97.26 128 A 1 ATOM 1067 C CA . GLY A 1 128 ? -12.868 -0.707 -0.192 1.00 96.91 128 A 1 ATOM 1068 C C . GLY A 1 128 ? -13.699 -1.486 -1.207 1.00 97.39 128 A 1 ATOM 1069 O O . GLY A 1 128 ? -13.206 -1.905 -2.256 1.00 96.54 128 A 1 ATOM 1070 N N . ALA A 1 129 ? -14.983 -1.648 -0.923 1.00 94.61 129 A 1 ATOM 1071 C CA . ALA A 1 129 ? -15.907 -2.453 -1.731 1.00 93.60 129 A 1 ATOM 1072 C C . ALA A 1 129 ? -15.983 -2.025 -3.212 1.00 93.56 129 A 1 ATOM 1073 O O . ALA A 1 129 ? -16.171 -2.857 -4.092 1.00 89.92 129 A 1 ATOM 1074 C CB . ALA A 1 129 ? -17.288 -2.373 -1.069 1.00 91.05 129 A 1 ATOM 1075 N N . HIS A 1 130 ? -15.790 -0.741 -3.497 1.00 94.38 130 A 1 ATOM 1076 C CA . HIS A 1 130 ? -15.862 -0.203 -4.859 1.00 94.91 130 A 1 ATOM 1077 C C . HIS A 1 130 ? -14.497 -0.046 -5.543 1.00 96.15 130 A 1 ATOM 1078 O O . HIS A 1 130 ? -14.422 0.420 -6.683 1.00 94.62 130 A 1 ATOM 1079 C CB . HIS A 1 130 ? -16.659 1.103 -4.834 1.00 92.32 130 A 1 ATOM 1080 C CG . HIS A 1 130 ? -18.037 0.920 -4.259 1.00 86.56 130 A 1 ATOM 1081 N ND1 . HIS A 1 130 ? -19.013 0.074 -4.745 1.00 73.79 130 A 1 ATOM 1082 C CD2 . HIS A 1 130 ? -18.543 1.494 -3.121 1.00 73.33 130 A 1 ATOM 1083 C CE1 . HIS A 1 130 ? -20.072 0.145 -3.929 1.00 72.18 130 A 1 ATOM 1084 N NE2 . HIS A 1 130 ? -19.826 0.999 -2.931 1.00 73.18 130 A 1 ATOM 1085 N N . SER A 1 131 ? -13.420 -0.450 -4.877 1.00 97.19 131 A 1 ATOM 1086 C CA . SER A 1 131 ? -12.061 -0.228 -5.383 1.00 97.66 131 A 1 ATOM 1087 C C . SER A 1 131 ? -11.675 -1.137 -6.552 1.00 97.57 131 A 1 ATOM 1088 O O . SER A 1 131 ? -10.773 -0.790 -7.304 1.00 96.81 131 A 1 ATOM 1089 C CB . SER A 1 131 ? -11.040 -0.364 -4.252 1.00 97.53 131 A 1 ATOM 1090 O OG . SER A 1 131 ? -11.308 0.598 -3.247 1.00 96.76 131 A 1 ATOM 1091 N N . MET A 1 132 ? -12.389 -2.244 -6.761 1.00 96.80 132 A 1 ATOM 1092 C CA . MET A 1 132 ? -12.112 -3.197 -7.850 1.00 95.86 132 A 1 ATOM 1093 C C . MET A 1 132 ? -12.167 -2.571 -9.249 1.00 95.65 132 A 1 ATOM 1094 O O . MET A 1 132 ? -11.435 -2.979 -10.150 1.00 94.28 132 A 1 ATOM 1095 C CB . MET A 1 132 ? -13.132 -4.351 -7.804 1.00 93.98 132 A 1 ATOM 1096 C CG . MET A 1 132 ? -12.815 -5.379 -6.719 1.00 84.46 132 A 1 ATOM 1097 S SD . MET A 1 132 ? -11.314 -6.359 -7.032 1.00 79.29 132 A 1 ATOM 1098 C CE . MET A 1 132 ? -11.839 -7.398 -8.417 1.00 69.56 132 A 1 ATOM 1099 N N . THR A 1 133 ? -13.044 -1.597 -9.454 1.00 95.81 133 A 1 ATOM 1100 C CA . THR A 1 133 ? -13.194 -0.987 -10.778 1.00 96.01 133 A 1 ATOM 1101 C C . THR A 1 133 ? -11.930 -0.206 -11.155 1.00 96.33 133 A 1 ATOM 1102 O O . THR A 1 133 ? -11.416 0.554 -10.335 1.00 95.59 133 A 1 ATOM 1103 C CB . THR A 1 133 ? -14.427 -0.077 -10.876 1.00 94.48 133 A 1 ATOM 1104 O OG1 . THR A 1 133 ? -14.350 1.002 -9.981 1.00 83.81 133 A 1 ATOM 1105 C CG2 . THR A 1 133 ? -15.722 -0.832 -10.585 1.00 82.26 133 A 1 ATOM 1106 N N . PRO A 1 134 ? -11.443 -0.301 -12.400 1.00 94.53 134 A 1 ATOM 1107 C CA . PRO A 1 134 ? -10.210 0.391 -12.813 1.00 93.58 134 A 1 ATOM 1108 C C . PRO A 1 134 ? -10.248 1.913 -12.662 1.00 94.03 134 A 1 ATOM 1109 O O . PRO A 1 134 ? -9.209 2.564 -12.568 1.00 92.57 134 A 1 ATOM 1110 C CB . PRO A 1 134 ? -10.024 0.015 -14.285 1.00 91.65 134 A 1 ATOM 1111 C CG . PRO A 1 134 ? -10.755 -1.320 -14.412 1.00 89.38 134 A 1 ATOM 1112 C CD . PRO A 1 134 ? -11.919 -1.183 -13.448 1.00 92.66 134 A 1 ATOM 1113 N N . SER A 1 135 ? -11.454 2.486 -12.656 1.00 94.89 135 A 1 ATOM 1114 C CA . SER A 1 135 ? -11.694 3.918 -12.489 1.00 95.32 135 A 1 ATOM 1115 C C . SER A 1 135 ? -11.888 4.351 -11.029 1.00 95.98 135 A 1 ATOM 1116 O O . SER A 1 135 ? -12.159 5.532 -10.791 1.00 94.85 135 A 1 ATOM 1117 C CB . SER A 1 135 ? -12.906 4.319 -13.336 1.00 94.13 135 A 1 ATOM 1118 O OG . SER A 1 135 ? -14.035 3.557 -12.957 1.00 89.47 135 A 1 ATOM 1119 N N . SER A 1 136 ? -11.770 3.432 -10.071 1.00 96.97 136 A 1 ATOM 1120 C CA . SER A 1 136 ? -11.945 3.736 -8.648 1.00 97.33 136 A 1 ATOM 1121 C C . SER A 1 136 ? -10.907 4.738 -8.130 1.00 97.62 136 A 1 ATOM 1122 O O . SER A 1 136 ? -9.838 4.914 -8.718 1.00 97.46 136 A 1 ATOM 1123 C CB . SER A 1 136 ? -11.922 2.455 -7.806 1.00 97.04 136 A 1 ATOM 1124 O OG . SER A 1 136 ? -10.622 1.911 -7.743 1.00 96.24 136 A 1 ATOM 1125 N N . GLY A 1 137 ? -11.232 5.382 -7.006 1.00 97.32 137 A 1 ATOM 1126 C CA . GLY A 1 137 ? -10.300 6.284 -6.324 1.00 97.12 137 A 1 ATOM 1127 C C . GLY A 1 137 ? -8.991 5.594 -5.962 1.00 97.53 137 A 1 ATOM 1128 O O . GLY A 1 137 ? -7.933 6.133 -6.259 1.00 97.03 137 A 1 ATOM 1129 N N . PHE A 1 138 ? -9.060 4.358 -5.477 1.00 97.80 138 A 1 ATOM 1130 C CA . PHE A 1 138 ? -7.885 3.555 -5.128 1.00 98.04 138 A 1 ATOM 1131 C C . PHE A 1 138 ? -6.855 3.489 -6.269 1.00 98.00 138 A 1 ATOM 1132 O O . PHE A 1 138 ? -5.691 3.831 -6.082 1.00 97.89 138 A 1 ATOM 1133 C CB . PHE A 1 138 ? -8.334 2.141 -4.744 1.00 98.08 138 A 1 ATOM 1134 C CG . PHE A 1 138 ? -7.177 1.202 -4.463 1.00 98.36 138 A 1 ATOM 1135 C CD1 . PHE A 1 138 ? -6.617 0.426 -5.495 1.00 98.25 138 A 1 ATOM 1136 C CD2 . PHE A 1 138 ? -6.613 1.146 -3.179 1.00 98.23 138 A 1 ATOM 1137 C CE1 . PHE A 1 138 ? -5.501 -0.390 -5.245 1.00 98.09 138 A 1 ATOM 1138 C CE2 . PHE A 1 138 ? -5.502 0.330 -2.923 1.00 98.00 138 A 1 ATOM 1139 C CZ . PHE A 1 138 ? -4.945 -0.435 -3.958 1.00 98.13 138 A 1 ATOM 1140 N N . TRP A 1 139 ? -7.281 3.100 -7.464 1.00 97.87 139 A 1 ATOM 1141 C CA . TRP A 1 139 ? -6.367 2.961 -8.599 1.00 97.62 139 A 1 ATOM 1142 C C . TRP A 1 139 ? -5.858 4.311 -9.104 1.00 97.21 139 A 1 ATOM 1143 O O . TRP A 1 139 ? -4.703 4.408 -9.514 1.00 96.67 139 A 1 ATOM 1144 C CB . TRP A 1 139 ? -7.044 2.181 -9.725 1.00 97.45 139 A 1 ATOM 1145 C CG . TRP A 1 139 ? -7.352 0.750 -9.388 1.00 97.72 139 A 1 ATOM 1146 C CD1 . TRP A 1 139 ? -8.583 0.209 -9.321 1.00 97.17 139 A 1 ATOM 1147 C CD2 . TRP A 1 139 ? -6.417 -0.322 -9.046 1.00 97.86 139 A 1 ATOM 1148 N NE1 . TRP A 1 139 ? -8.489 -1.133 -8.965 1.00 97.10 139 A 1 ATOM 1149 C CE2 . TRP A 1 139 ? -7.176 -1.493 -8.782 1.00 97.53 139 A 1 ATOM 1150 C CE3 . TRP A 1 139 ? -5.014 -0.410 -8.935 1.00 97.62 139 A 1 ATOM 1151 C CZ2 . TRP A 1 139 ? -6.571 -2.717 -8.408 1.00 97.22 139 A 1 ATOM 1152 C CZ3 . TRP A 1 139 ? -4.407 -1.629 -8.561 1.00 97.31 139 A 1 ATOM 1153 C CH2 . TRP A 1 139 ? -5.183 -2.764 -8.298 1.00 97.26 139 A 1 ATOM 1154 N N . LYS A 1 140 ? -6.676 5.345 -9.052 1.00 97.30 140 A 1 ATOM 1155 C CA . LYS A 1 140 ? -6.266 6.707 -9.419 1.00 96.87 140 A 1 ATOM 1156 C C . LYS A 1 140 ? -5.202 7.244 -8.462 1.00 96.57 140 A 1 ATOM 1157 O O . LYS A 1 140 ? -4.170 7.728 -8.918 1.00 96.06 140 A 1 ATOM 1158 C CB . LYS A 1 140 ? -7.480 7.642 -9.446 1.00 96.50 140 A 1 ATOM 1159 C CG . LYS A 1 140 ? -8.397 7.366 -10.646 1.00 91.18 140 A 1 ATOM 1160 C CD . LYS A 1 140 ? -9.653 8.243 -10.552 1.00 86.91 140 A 1 ATOM 1161 C CE . LYS A 1 140 ? -10.544 8.008 -11.768 1.00 78.59 140 A 1 ATOM 1162 N NZ . LYS A 1 140 ? -11.871 8.652 -11.618 1.00 70.26 140 A 1 ATOM 1163 N N . GLU A 1 141 ? -5.438 7.112 -7.167 1.00 97.37 141 A 1 ATOM 1164 C CA . GLU A 1 141 ? -4.482 7.533 -6.139 1.00 97.19 141 A 1 ATOM 1165 C C . GLU A 1 141 ? -3.165 6.752 -6.245 1.00 97.10 141 A 1 ATOM 1166 O O . GLU A 1 141 ? -2.086 7.351 -6.238 1.00 96.66 141 A 1 ATOM 1167 C CB . GLU A 1 141 ? -5.100 7.335 -4.751 1.00 96.91 141 A 1 ATOM 1168 C CG . GLU A 1 141 ? -6.201 8.352 -4.433 1.00 88.73 141 A 1 ATOM 1169 C CD . GLU A 1 141 ? -6.922 7.997 -3.127 1.00 83.60 141 A 1 ATOM 1170 O OE1 . GLU A 1 141 ? -8.169 7.959 -3.143 1.00 77.83 141 A 1 ATOM 1171 O OE2 . GLU A 1 141 ? -6.223 7.740 -2.122 1.00 78.91 141 A 1 ATOM 1172 N N . LEU A 1 142 ? -3.245 5.437 -6.438 1.00 97.52 142 A 1 ATOM 1173 C CA . LEU A 1 142 ? -2.064 4.596 -6.608 1.00 97.60 142 A 1 ATOM 1174 C C . LEU A 1 142 ? -1.277 4.975 -7.873 1.00 97.24 142 A 1 ATOM 1175 O O . LEU A 1 142 ? -0.058 5.125 -7.815 1.00 96.89 142 A 1 ATOM 1176 C CB . LEU A 1 142 ? -2.495 3.122 -6.592 1.00 97.78 142 A 1 ATOM 1177 C CG . LEU A 1 142 ? -1.321 2.124 -6.622 1.00 97.60 142 A 1 ATOM 1178 C CD1 . LEU A 1 142 ? -0.357 2.293 -5.450 1.00 97.28 142 A 1 ATOM 1179 C CD2 . LEU A 1 142 ? -1.884 0.702 -6.564 1.00 97.20 142 A 1 ATOM 1180 N N . ALA A 1 143 ? -1.954 5.198 -8.988 1.00 96.80 143 A 1 ATOM 1181 C CA . ALA A 1 143 ? -1.300 5.614 -10.230 1.00 96.09 143 A 1 ATOM 1182 C C . ALA A 1 143 ? -0.596 6.979 -10.116 1.00 95.81 143 A 1 ATOM 1183 O O . ALA A 1 143 ? 0.441 7.189 -10.745 1.00 94.86 143 A 1 ATOM 1184 C CB . ALA A 1 143 ? -2.344 5.627 -11.352 1.00 95.20 143 A 1 ATOM 1185 N N . LEU A 1 144 ? -1.121 7.892 -9.302 1.00 95.86 144 A 1 ATOM 1186 C CA . LEU A 1 144 ? -0.506 9.206 -9.083 1.00 95.44 144 A 1 ATOM 1187 C C . LEU A 1 144 ? 0.831 9.124 -8.338 1.00 95.25 144 A 1 ATOM 1188 O O . LEU A 1 144 ? 1.731 9.926 -8.602 1.00 93.92 144 A 1 ATOM 1189 C CB . LEU A 1 144 ? -1.482 10.105 -8.302 1.00 94.65 144 A 1 ATOM 1190 C CG . LEU A 1 144 ? -2.665 10.639 -9.131 1.00 86.18 144 A 1 ATOM 1191 C CD1 . LEU A 1 144 ? -3.680 11.305 -8.206 1.00 83.27 144 A 1 ATOM 1192 C CD2 . LEU A 1 144 ? -2.215 11.667 -10.169 1.00 82.41 144 A 1 ATOM 1193 N N . VAL A 1 145 ? 0.964 8.163 -7.416 1.00 96.48 145 A 1 ATOM 1194 C CA . VAL A 1 145 ? 2.176 8.018 -6.588 1.00 96.42 145 A 1 ATOM 1195 C C . VAL A 1 145 ? 3.193 7.043 -7.176 1.00 96.38 145 A 1 ATOM 1196 O O . VAL A 1 145 ? 4.384 7.131 -6.860 1.00 95.53 145 A 1 ATOM 1197 C CB . VAL A 1 145 ? 1.827 7.672 -5.128 1.00 96.10 145 A 1 ATOM 1198 C CG1 . VAL A 1 145 ? 0.985 8.791 -4.504 1.00 92.87 145 A 1 ATOM 1199 C CG2 . VAL A 1 145 ? 1.078 6.348 -4.989 1.00 93.18 145 A 1 ATOM 1200 N N . MET A 1 146 ? 2.754 6.163 -8.064 1.00 96.03 146 A 1 ATOM 1201 C CA . MET A 1 146 ? 3.633 5.263 -8.809 1.00 95.92 146 A 1 ATOM 1202 C C . MET A 1 146 ? 4.509 6.030 -9.816 1.00 95.12 146 A 1 ATOM 1203 O O . MET A 1 146 ? 4.114 7.089 -10.312 1.00 93.86 146 A 1 ATOM 1204 C CB . MET A 1 146 ? 2.800 4.163 -9.479 1.00 95.88 146 A 1 ATOM 1205 C CG . MET A 1 146 ? 2.326 3.108 -8.458 1.00 94.63 146 A 1 ATOM 1206 S SD . MET A 1 146 ? 3.641 2.153 -7.637 1.00 94.72 146 A 1 ATOM 1207 C CE . MET A 1 146 ? 4.162 1.098 -9.013 1.00 91.07 146 A 1 ATOM 1208 N N . PRO A 1 147 ? 5.709 5.533 -10.120 1.00 94.78 147 A 1 ATOM 1209 C CA . PRO A 1 147 ? 6.571 6.182 -11.097 1.00 93.10 147 A 1 ATOM 1210 C C . PRO A 1 147 ? 5.904 6.193 -12.476 1.00 91.36 147 A 1 ATOM 1211 O O . PRO A 1 147 ? 5.456 5.165 -12.982 1.00 86.44 147 A 1 ATOM 1212 C CB . PRO A 1 147 ? 7.885 5.398 -11.076 1.00 91.15 147 A 1 ATOM 1213 C CG . PRO A 1 147 ? 7.478 4.019 -10.568 1.00 90.62 147 A 1 ATOM 1214 C CD . PRO A 1 147 ? 6.321 4.313 -9.623 1.00 93.86 147 A 1 ATOM 1215 N N . ARG A 1 148 ? 5.863 7.359 -13.096 1.00 87.95 148 A 1 ATOM 1216 C CA . ARG A 1 148 ? 5.419 7.468 -14.486 1.00 84.51 148 A 1 ATOM 1217 C C . ARG A 1 148 ? 6.451 6.781 -15.370 1.00 80.93 148 A 1 ATOM 1218 O O . ARG A 1 148 ? 7.610 7.196 -15.393 1.00 70.71 148 A 1 ATOM 1219 C CB . ARG A 1 148 ? 5.214 8.931 -14.899 1.00 78.52 148 A 1 ATOM 1220 C CG . ARG A 1 148 ? 4.037 9.572 -14.145 1.00 66.98 148 A 1 ATOM 1221 C CD . ARG A 1 148 ? 3.801 11.005 -14.628 1.00 62.62 148 A 1 ATOM 1222 N NE . ARG A 1 148 ? 2.701 11.640 -13.885 1.00 54.41 148 A 1 ATOM 1223 C CZ . ARG A 1 148 ? 2.218 12.856 -14.084 1.00 47.92 148 A 1 ATOM 1224 N NH1 . ARG A 1 148 ? 2.698 13.646 -15.005 1.00 44.91 148 A 1 ATOM 1225 N NH2 . ARG A 1 148 ? 1.237 13.296 -13.348 1.00 41.61 148 A 1 ATOM 1226 N N . LYS A 1 149 ? 6.023 5.780 -16.121 1.00 75.33 149 A 1 ATOM 1227 C CA . LYS A 1 149 ? 6.836 5.304 -17.233 1.00 71.92 149 A 1 ATOM 1228 C C . LYS A 1 149 ? 6.807 6.383 -18.306 1.00 69.24 149 A 1 ATOM 1229 O O . LYS A 1 149 ? 5.770 6.643 -18.914 1.00 61.15 149 A 1 ATOM 1230 C CB . LYS A 1 149 ? 6.365 3.940 -17.750 1.00 65.39 149 A 1 ATOM 1231 C CG . LYS A 1 149 ? 6.753 2.867 -16.726 1.00 59.60 149 A 1 ATOM 1232 C CD . LYS A 1 149 ? 6.643 1.463 -17.297 1.00 55.95 149 A 1 ATOM 1233 C CE . LYS A 1 149 ? 7.253 0.536 -16.249 1.00 50.83 149 A 1 ATOM 1234 N NZ . LYS A 1 149 ? 7.424 -0.834 -16.749 1.00 47.03 149 A 1 ATOM 1235 N N . HIS A 1 150 ? 7.945 7.006 -18.529 1.00 58.11 150 A 1 ATOM 1236 C CA . HIS A 1 150 ? 8.163 7.684 -19.785 1.00 54.83 150 A 1 ATOM 1237 C C . HIS A 1 150 ? 8.186 6.590 -20.856 1.00 53.37 150 A 1 ATOM 1238 O O . HIS A 1 150 ? 9.203 5.931 -21.063 1.00 48.35 150 A 1 ATOM 1239 C CB . HIS A 1 150 ? 9.450 8.518 -19.738 1.00 49.07 150 A 1 ATOM 1240 C CG . HIS A 1 150 ? 9.309 9.735 -18.863 1.00 45.26 150 A 1 ATOM 1241 N ND1 . HIS A 1 150 ? 8.634 10.894 -19.186 1.00 41.33 150 A 1 ATOM 1242 C CD2 . HIS A 1 150 ? 9.795 9.905 -17.590 1.00 40.26 150 A 1 ATOM 1243 C CE1 . HIS A 1 150 ? 8.717 11.736 -18.145 1.00 38.54 150 A 1 ATOM 1244 N NE2 . HIS A 1 150 ? 9.414 11.168 -17.150 1.00 38.85 150 A 1 ATOM 1245 N N . HIS A 1 151 ? 7.043 6.388 -21.519 1.00 49.42 151 A 1 ATOM 1246 C CA . HIS A 1 151 ? 7.090 5.816 -22.846 1.00 48.93 151 A 1 ATOM 1247 C C . HIS A 1 151 ? 7.856 6.828 -23.699 1.00 47.83 151 A 1 ATOM 1248 O O . HIS A 1 151 ? 7.282 7.767 -24.244 1.00 44.73 151 A 1 ATOM 1249 C CB . HIS A 1 151 ? 5.680 5.523 -23.382 1.00 45.87 151 A 1 ATOM 1250 C CG . HIS A 1 151 ? 5.053 4.309 -22.756 1.00 42.91 151 A 1 ATOM 1251 N ND1 . HIS A 1 151 ? 5.387 2.993 -23.012 1.00 40.04 151 A 1 ATOM 1252 C CD2 . HIS A 1 151 ? 4.044 4.283 -21.824 1.00 38.88 151 A 1 ATOM 1253 C CE1 . HIS A 1 151 ? 4.599 2.204 -22.260 1.00 37.91 151 A 1 ATOM 1254 N NE2 . HIS A 1 151 ? 3.772 2.956 -21.524 1.00 37.65 151 A 1 ATOM 1255 N N . HIS A 1 152 ? 9.165 6.650 -23.776 1.00 43.47 152 A 1 ATOM 1256 C CA . HIS A 1 152 ? 9.880 7.124 -24.934 1.00 44.36 152 A 1 ATOM 1257 C C . HIS A 1 152 ? 9.336 6.307 -26.110 1.00 43.46 152 A 1 ATOM 1258 O O . HIS A 1 152 ? 9.810 5.208 -26.395 1.00 40.62 152 A 1 ATOM 1259 C CB . HIS A 1 152 ? 11.398 6.987 -24.742 1.00 42.06 152 A 1 ATOM 1260 C CG . HIS A 1 152 ? 11.964 8.045 -23.833 1.00 38.87 152 A 1 ATOM 1261 N ND1 . HIS A 1 152 ? 12.129 9.377 -24.151 1.00 35.92 152 A 1 ATOM 1262 C CD2 . HIS A 1 152 ? 12.405 7.891 -22.541 1.00 35.31 152 A 1 ATOM 1263 C CE1 . HIS A 1 152 ? 12.657 10.005 -23.084 1.00 34.44 152 A 1 ATOM 1264 N NE2 . HIS A 1 152 ? 12.836 9.133 -22.084 1.00 34.71 152 A 1 ATOM 1265 N N . HIS A 1 153 ? 8.296 6.850 -26.754 1.00 40.25 153 A 1 ATOM 1266 C CA . HIS A 1 153 ? 8.097 6.549 -28.152 1.00 41.66 153 A 1 ATOM 1267 C C . HIS A 1 153 ? 9.357 7.055 -28.860 1.00 40.46 153 A 1 ATOM 1268 O O . HIS A 1 153 ? 9.473 8.236 -29.180 1.00 37.62 153 A 1 ATOM 1269 C CB . HIS A 1 153 ? 6.817 7.215 -28.674 1.00 39.95 153 A 1 ATOM 1270 C CG . HIS A 1 153 ? 5.563 6.513 -28.229 1.00 36.73 153 A 1 ATOM 1271 N ND1 . HIS A 1 153 ? 5.081 5.323 -28.738 1.00 33.71 153 A 1 ATOM 1272 C CD2 . HIS A 1 153 ? 4.676 6.913 -27.259 1.00 33.40 153 A 1 ATOM 1273 C CE1 . HIS A 1 153 ? 3.939 5.019 -28.100 1.00 32.60 153 A 1 ATOM 1274 N NE2 . HIS A 1 153 ? 3.660 5.964 -27.190 1.00 33.04 153 A 1 ATOM 1275 N N . HIS A 1 154 ? 10.317 6.159 -29.031 1.00 39.03 154 A 1 ATOM 1276 C CA . HIS A 1 154 ? 11.233 6.308 -30.139 1.00 41.45 154 A 1 ATOM 1277 C C . HIS A 1 154 ? 10.384 6.105 -31.398 1.00 40.34 154 A 1 ATOM 1278 O O . HIS A 1 154 ? 10.068 4.973 -31.763 1.00 37.29 154 A 1 ATOM 1279 C CB . HIS A 1 154 ? 12.398 5.315 -30.017 1.00 39.59 154 A 1 ATOM 1280 C CG . HIS A 1 154 ? 13.403 5.730 -28.975 1.00 36.45 154 A 1 ATOM 1281 N ND1 . HIS A 1 154 ? 14.320 6.752 -29.109 1.00 33.35 154 A 1 ATOM 1282 C CD2 . HIS A 1 154 ? 13.594 5.196 -27.720 1.00 33.20 154 A 1 ATOM 1283 C CE1 . HIS A 1 154 ? 15.043 6.829 -27.978 1.00 32.65 154 A 1 ATOM 1284 N NE2 . HIS A 1 154 ? 14.627 5.899 -27.104 1.00 33.46 154 A 1 ATOM 1285 N N . HIS A 1 155 ? 9.939 7.212 -31.948 1.00 34.55 155 A 1 ATOM 1286 C CA . HIS A 1 155 ? 9.689 7.291 -33.378 1.00 38.90 155 A 1 ATOM 1287 C C . HIS A 1 155 ? 11.028 7.253 -34.123 1.00 36.57 155 A 1 ATOM 1288 O O . HIS A 1 155 ? 12.010 7.821 -33.596 1.00 31.73 155 A 1 ATOM 1289 C CB . HIS A 1 155 ? 8.889 8.558 -33.700 1.00 35.07 155 A 1 ATOM 1290 C CG . HIS A 1 155 ? 7.418 8.416 -33.389 1.00 33.11 155 A 1 ATOM 1291 N ND1 . HIS A 1 155 ? 6.542 7.611 -34.082 1.00 28.43 155 A 1 ATOM 1292 C CD2 . HIS A 1 155 ? 6.691 9.039 -32.413 1.00 26.87 155 A 1 ATOM 1293 C CE1 . HIS A 1 155 ? 5.321 7.744 -33.533 1.00 27.31 155 A 1 ATOM 1294 N NE2 . HIS A 1 155 ? 5.372 8.608 -32.516 1.00 30.06 155 A 1 ATOM 1295 O OXT . HIS A 1 155 ? 11.041 6.676 -35.243 1.00 28.08 155 A 1 #