# 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 88.92 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 63.91 1 1 A LYS 2 2 75.81 1 2 A MET 3 2 81.07 1 3 A TYR 4 2 94.31 1 4 A ASP 5 2 95.60 1 5 A ALA 6 2 97.17 1 6 A TYR 7 2 91.44 1 7 A ILE 8 2 97.37 1 8 A SER 9 2 98.24 1 9 A TYR 10 2 98.10 1 10 A VAL 11 2 95.58 1 11 A ASN 12 2 93.13 1 12 A ASN 13 2 92.71 1 13 A GLU 14 2 90.66 1 14 A ASN 15 2 87.80 1 15 A ASP 16 2 97.35 1 16 A ARG 17 2 86.51 1 17 A LYS 18 2 92.22 1 18 A PHE 19 2 98.02 1 19 A VAL 20 2 98.33 1 20 A ASN 21 2 93.83 1 21 A PHE 22 2 93.37 1 22 A ILE 23 2 97.11 1 23 A LEU 24 2 97.77 1 24 A LYS 25 2 93.51 1 25 A PRO 26 2 96.98 1 26 A HIS 27 2 89.21 1 27 A LEU 28 2 96.45 1 28 A GLU 29 2 95.60 1 29 A ASN 30 2 91.97 1 30 A LYS 31 2 84.07 1 31 A TYR 32 2 85.50 1 32 A SER 33 2 92.29 1 33 A HIS 34 2 93.24 1 34 A LYS 35 2 87.74 1 35 A LEU 36 2 97.17 1 36 A LEU 37 2 93.55 1 37 A LEU 38 2 94.99 1 38 A ASN 39 2 90.90 1 39 A ASP 40 2 95.74 1 40 A THR 41 2 92.50 1 41 A ASN 42 2 94.49 1 42 A ILE 43 2 96.06 1 43 A LEU 44 2 96.59 1 44 A PRO 45 2 95.50 1 45 A GLY 46 2 94.62 1 46 A ALA 47 2 95.04 1 47 A GLU 48 2 92.26 1 48 A PRO 49 2 97.05 1 49 A SER 50 2 96.70 1 50 A ALA 51 2 96.24 1 51 A GLU 52 2 85.86 1 52 A LEU 53 2 96.26 1 53 A LEU 54 2 95.41 1 54 A MET 55 2 86.16 1 55 A ASN 56 2 90.18 1 56 A ILE 57 2 88.06 1 57 A SER 58 2 92.33 1 58 A ARG 59 2 86.30 1 59 A CYS 60 2 95.50 1 60 A GLN 61 2 89.82 1 61 A ARG 62 2 92.07 1 62 A LEU 63 2 97.43 1 63 A ILE 64 2 98.24 1 64 A VAL 65 2 98.26 1 65 A VAL 66 2 98.33 1 66 A LEU 67 2 95.88 1 67 A SER 68 2 97.33 1 68 A GLN 69 2 84.12 1 69 A SER 70 2 94.69 1 70 A TYR 71 2 97.50 1 71 A LEU 72 2 95.87 1 72 A GLU 73 2 90.62 1 73 A GLN 74 2 93.87 1 74 A GLU 75 2 85.65 1 75 A TRP 76 2 95.20 1 76 A CYS 77 2 95.83 1 77 A THR 78 2 93.49 1 78 A THR 79 2 92.33 1 79 A ASN 80 2 88.58 1 80 A PHE 81 2 96.35 1 81 A ARG 82 2 82.03 1 82 A GLN 83 2 88.22 1 83 A GLY 84 2 97.67 1 84 A LEU 85 2 96.88 1 85 A TRP 86 2 77.74 1 86 A HIS 87 2 94.43 1 87 A LEU 88 2 97.38 1 88 A ILE 89 2 96.65 1 89 A GLU 90 2 84.79 1 90 A LEU 91 2 94.48 1 91 A SER 92 2 89.14 1 92 A ARG 93 2 69.50 1 93 A LYS 94 2 89.91 1 94 A PRO 95 2 97.19 1 95 A ILE 96 2 98.04 1 96 A PHE 97 2 97.20 1 97 A ILE 98 2 98.15 1 98 A ILE 99 2 91.28 1 99 A PHE 100 2 96.88 1 100 A GLN 101 2 88.84 1 101 A SER 102 2 93.52 1 102 A GLN 103 2 91.39 1 103 A GLN 104 2 80.69 1 104 A LYS 105 2 81.35 1 105 A GLN 106 2 82.05 1 106 A ILE 107 2 89.17 1 107 A SER 108 2 91.50 1 108 A GLN 109 2 83.36 1 109 A ASP 110 2 85.93 1 110 A ILE 111 2 94.38 1 111 A SER 112 2 91.46 1 112 A GLN 113 2 85.14 1 113 A GLN 114 2 89.48 1 114 A LEU 115 2 95.14 1 115 A ARG 116 2 78.90 1 116 A GLN 117 2 86.60 1 117 A HIS 118 2 90.06 1 118 A GLN 119 2 81.78 1 119 A PRO 120 2 93.37 1 120 A SER 121 2 95.50 1 121 A ILE 122 2 96.93 1 122 A THR 123 2 96.74 1 123 A MET 124 2 89.62 1 124 A ILE 125 2 96.52 1 125 A THR 126 2 95.77 1 126 A TRP 127 2 97.64 1 127 A GLY 128 2 96.70 1 128 A ALA 129 2 91.65 1 129 A HIS 130 2 84.62 1 130 A SER 131 2 97.04 1 131 A MET 132 2 88.27 1 132 A THR 133 2 91.72 1 133 A PRO 134 2 92.14 1 134 A SER 135 2 93.79 1 135 A SER 136 2 96.94 1 136 A GLY 137 2 97.15 1 137 A PHE 138 2 97.99 1 138 A TRP 139 2 97.18 1 139 A LYS 140 2 89.78 1 140 A GLU 141 2 90.29 1 141 A LEU 142 2 97.23 1 142 A ALA 143 2 95.57 1 143 A LEU 144 2 90.65 1 144 A VAL 145 2 95.15 1 145 A MET 146 2 94.49 1 146 A PRO 147 2 91.60 1 147 A ARG 148 2 65.47 1 148 A LYS 149 2 60.94 1 149 A HIS 150 2 47.01 1 150 A HIS 151 2 44.49 1 151 A HIS 152 2 40.96 1 152 A HIS 153 2 38.57 1 153 A HIS 154 2 38.00 1 154 A HIS 155 2 31.84 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 ? 17.495 9.565 8.096 1.00 65.03 1 A 1 ATOM 2 C CA . MET A 1 1 ? 16.260 9.350 8.870 1.00 73.90 1 A 1 ATOM 3 C C . MET A 1 1 ? 15.092 9.434 7.903 1.00 78.30 1 A 1 ATOM 4 O O . MET A 1 1 ? 15.077 10.337 7.076 1.00 74.06 1 A 1 ATOM 5 C CB . MET A 1 1 ? 16.158 10.387 9.991 1.00 65.54 1 A 1 ATOM 6 C CG . MET A 1 1 ? 15.121 10.039 11.062 1.00 56.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? 15.236 11.176 12.469 1.00 52.23 1 A 1 ATOM 8 C CE . MET A 1 1 ? 13.950 10.524 13.556 1.00 45.46 1 A 1 ATOM 9 N N . LYS A 1 2 ? 14.155 8.472 7.925 1.00 75.96 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 13.014 8.480 6.997 1.00 81.59 2 A 1 ATOM 11 C C . LYS A 1 2 ? 12.069 9.629 7.369 1.00 83.49 2 A 1 ATOM 12 O O . LYS A 1 2 ? 11.731 9.775 8.534 1.00 80.88 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 12.318 7.116 6.983 1.00 76.60 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 13.207 6.007 6.387 1.00 75.79 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 12.440 4.704 6.144 1.00 73.70 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 13.296 3.671 5.408 1.00 70.19 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 12.494 2.605 4.754 1.00 64.05 2 A 1 ATOM 18 N N . MET A 1 3 ? 11.676 10.455 6.382 1.00 88.68 3 A 1 ATOM 19 C CA . MET A 1 3 ? 10.878 11.671 6.632 1.00 90.55 3 A 1 ATOM 20 C C . MET A 1 3 ? 9.381 11.396 6.755 1.00 92.38 3 A 1 ATOM 21 O O . MET A 1 3 ? 8.660 12.174 7.374 1.00 89.70 3 A 1 ATOM 22 C CB . MET A 1 3 ? 11.080 12.679 5.493 1.00 84.80 3 A 1 ATOM 23 C CG . MET A 1 3 ? 12.517 13.179 5.360 1.00 74.04 3 A 1 ATOM 24 S SD . MET A 1 3 ? 12.627 14.535 4.155 1.00 68.44 3 A 1 ATOM 25 C CE . MET A 1 3 ? 14.339 14.348 3.638 1.00 59.99 3 A 1 ATOM 26 N N . TYR A 1 4 ? 8.911 10.309 6.137 1.00 95.94 4 A 1 ATOM 27 C CA . TYR A 1 4 ? 7.503 9.944 6.082 1.00 96.50 4 A 1 ATOM 28 C C . TYR A 1 4 ? 7.270 8.603 6.769 1.00 96.57 4 A 1 ATOM 29 O O . TYR A 1 4 ? 8.127 7.712 6.743 1.00 95.71 4 A 1 ATOM 30 C CB . TYR A 1 4 ? 7.030 9.916 4.628 1.00 96.18 4 A 1 ATOM 31 C CG . TYR A 1 4 ? 7.147 11.243 3.914 1.00 95.67 4 A 1 ATOM 32 C CD1 . TYR A 1 4 ? 6.121 12.200 4.020 1.00 93.80 4 A 1 ATOM 33 C CD2 . TYR A 1 4 ? 8.290 11.541 3.145 1.00 93.68 4 A 1 ATOM 34 C CE1 . TYR A 1 4 ? 6.223 13.434 3.363 1.00 92.12 4 A 1 ATOM 35 C CE2 . TYR A 1 4 ? 8.406 12.776 2.486 1.00 92.37 4 A 1 ATOM 36 C CZ . TYR A 1 4 ? 7.366 13.720 2.596 1.00 92.72 4 A 1 ATOM 37 O OH . TYR A 1 4 ? 7.470 14.927 1.947 1.00 90.40 4 A 1 ATOM 38 N N . ASP A 1 5 ? 6.089 8.462 7.362 1.00 96.93 5 A 1 ATOM 39 C CA . ASP A 1 5 ? 5.687 7.221 8.023 1.00 96.91 5 A 1 ATOM 40 C C . ASP A 1 5 ? 5.211 6.176 7.011 1.00 96.92 5 A 1 ATOM 41 O O . ASP A 1 5 ? 5.506 4.989 7.169 1.00 96.43 5 A 1 ATOM 42 C CB . ASP A 1 5 ? 4.595 7.524 9.047 1.00 96.60 5 A 1 ATOM 43 C CG . ASP A 1 5 ? 5.032 8.568 10.069 1.00 95.61 5 A 1 ATOM 44 O OD1 . ASP A 1 5 ? 6.006 8.336 10.812 1.00 93.05 5 A 1 ATOM 45 O OD2 . ASP A 1 5 ? 4.396 9.644 10.118 1.00 92.37 5 A 1 ATOM 46 N N . ALA A 1 6 ? 4.514 6.621 5.957 1.00 97.21 6 A 1 ATOM 47 C CA . ALA A 1 6 ? 4.079 5.735 4.888 1.00 97.31 6 A 1 ATOM 48 C C . ALA A 1 6 ? 4.081 6.403 3.512 1.00 97.40 6 A 1 ATOM 49 O O . ALA A 1 6 ? 3.776 7.584 3.362 1.00 96.96 6 A 1 ATOM 50 C CB . ALA A 1 6 ? 2.703 5.162 5.223 1.00 96.97 6 A 1 ATOM 51 N N . TYR A 1 7 ? 4.379 5.589 2.513 1.00 97.05 7 A 1 ATOM 52 C CA . TYR A 1 7 ? 4.111 5.842 1.102 1.00 97.24 7 A 1 ATOM 53 C C . TYR A 1 7 ? 2.825 5.116 0.714 1.00 97.51 7 A 1 ATOM 54 O O . TYR A 1 7 ? 2.707 3.926 0.982 1.00 97.16 7 A 1 ATOM 55 C CB . TYR A 1 7 ? 5.305 5.343 0.288 1.00 96.30 7 A 1 ATOM 56 C CG . TYR A 1 7 ? 5.172 5.538 -1.203 1.00 94.72 7 A 1 ATOM 57 C CD1 . TYR A 1 7 ? 5.372 4.459 -2.082 1.00 90.86 7 A 1 ATOM 58 C CD2 . TYR A 1 7 ? 4.886 6.810 -1.722 1.00 89.98 7 A 1 ATOM 59 C CE1 . TYR A 1 7 ? 5.330 4.659 -3.467 1.00 85.58 7 A 1 ATOM 60 C CE2 . TYR A 1 7 ? 4.833 7.017 -3.107 1.00 85.38 7 A 1 ATOM 61 C CZ . TYR A 1 7 ? 5.075 5.943 -3.976 1.00 84.99 7 A 1 ATOM 62 O OH . TYR A 1 7 ? 5.088 6.159 -5.326 1.00 80.46 7 A 1 ATOM 63 N N . ILE A 1 8 ? 1.863 5.817 0.127 1.00 97.82 8 A 1 ATOM 64 C CA . ILE A 1 8 ? 0.577 5.254 -0.287 1.00 98.08 8 A 1 ATOM 65 C C . ILE A 1 8 ? 0.533 5.230 -1.811 1.00 98.03 8 A 1 ATOM 66 O O . ILE A 1 8 ? 0.434 6.282 -2.438 1.00 97.73 8 A 1 ATOM 67 C CB . ILE A 1 8 ? -0.619 6.019 0.322 1.00 98.10 8 A 1 ATOM 68 C CG1 . ILE A 1 8 ? -0.496 6.088 1.863 1.00 97.09 8 A 1 ATOM 69 C CG2 . ILE A 1 8 ? -1.940 5.344 -0.101 1.00 97.47 8 A 1 ATOM 70 C CD1 . ILE A 1 8 ? -1.648 6.817 2.564 1.00 94.64 8 A 1 ATOM 71 N N . SER A 1 9 ? 0.566 4.033 -2.383 1.00 98.34 9 A 1 ATOM 72 C CA . SER A 1 9 ? 0.345 3.800 -3.807 1.00 98.43 9 A 1 ATOM 73 C C . SER A 1 9 ? -1.116 3.436 -4.050 1.00 98.53 9 A 1 ATOM 74 O O . SER A 1 9 ? -1.647 2.516 -3.418 1.00 98.42 9 A 1 ATOM 75 C CB . SER A 1 9 ? 1.274 2.699 -4.315 1.00 98.26 9 A 1 ATOM 76 O OG . SER A 1 9 ? 1.047 2.456 -5.689 1.00 97.47 9 A 1 ATOM 77 N N . TYR A 1 10 ? -1.766 4.148 -4.966 1.00 98.50 10 A 1 ATOM 78 C CA . TYR A 1 10 ? -3.152 3.902 -5.350 1.00 98.58 10 A 1 ATOM 79 C C . TYR A 1 10 ? -3.375 4.298 -6.814 1.00 98.44 10 A 1 ATOM 80 O O . TYR A 1 10 ? -2.579 5.034 -7.390 1.00 98.13 10 A 1 ATOM 81 C CB . TYR A 1 10 ? -4.104 4.670 -4.416 1.00 98.55 10 A 1 ATOM 82 C CG . TYR A 1 10 ? -4.089 6.180 -4.569 1.00 98.55 10 A 1 ATOM 83 C CD1 . TYR A 1 10 ? -3.017 6.946 -4.059 1.00 98.33 10 A 1 ATOM 84 C CD2 . TYR A 1 10 ? -5.146 6.834 -5.230 1.00 98.25 10 A 1 ATOM 85 C CE1 . TYR A 1 10 ? -2.996 8.338 -4.210 1.00 97.86 10 A 1 ATOM 86 C CE2 . TYR A 1 10 ? -5.138 8.231 -5.386 1.00 97.77 10 A 1 ATOM 87 C CZ . TYR A 1 10 ? -4.060 8.979 -4.876 1.00 97.65 10 A 1 ATOM 88 O OH . TYR A 1 10 ? -4.047 10.345 -5.033 1.00 96.54 10 A 1 ATOM 89 N N . VAL A 1 11 ? -4.468 3.829 -7.420 1.00 98.26 11 A 1 ATOM 90 C CA . VAL A 1 11 ? -4.856 4.248 -8.770 1.00 98.02 11 A 1 ATOM 91 C C . VAL A 1 11 ? -5.836 5.417 -8.701 1.00 98.04 11 A 1 ATOM 92 O O . VAL A 1 11 ? -6.705 5.479 -7.825 1.00 97.18 11 A 1 ATOM 93 C CB . VAL A 1 11 ? -5.378 3.054 -9.589 1.00 96.73 11 A 1 ATOM 94 C CG1 . VAL A 1 11 ? -6.694 2.497 -9.064 1.00 88.93 11 A 1 ATOM 95 C CG2 . VAL A 1 11 ? -5.534 3.412 -11.066 1.00 91.92 11 A 1 ATOM 96 N N . ASN A 1 12 ? -5.702 6.371 -9.625 1.00 97.38 12 A 1 ATOM 97 C CA . ASN A 1 12 ? -6.509 7.589 -9.642 1.00 96.77 12 A 1 ATOM 98 C C . ASN A 1 12 ? -7.866 7.396 -10.342 1.00 96.32 12 A 1 ATOM 99 O O . ASN A 1 12 ? -8.185 8.063 -11.326 1.00 93.84 12 A 1 ATOM 100 C CB . ASN A 1 12 ? -5.658 8.735 -10.216 1.00 94.90 12 A 1 ATOM 101 C CG . ASN A 1 12 ? -6.252 10.112 -9.965 1.00 92.83 12 A 1 ATOM 102 O OD1 . ASN A 1 12 ? -7.309 10.298 -9.378 1.00 87.69 12 A 1 ATOM 103 N ND2 . ASN A 1 12 ? -5.546 11.139 -10.383 1.00 85.28 12 A 1 ATOM 104 N N . ASN A 1 13 ? -8.697 6.497 -9.831 1.00 96.98 13 A 1 ATOM 105 C CA . ASN A 1 13 ? -10.120 6.452 -10.144 1.00 96.26 13 A 1 ATOM 106 C C . ASN A 1 13 ? -10.933 7.163 -9.050 1.00 96.93 13 A 1 ATOM 107 O O . ASN A 1 13 ? -10.427 7.477 -7.970 1.00 95.98 13 A 1 ATOM 108 C CB . ASN A 1 13 ? -10.559 5.003 -10.427 1.00 93.48 13 A 1 ATOM 109 C CG . ASN A 1 13 ? -10.728 4.170 -9.173 1.00 92.28 13 A 1 ATOM 110 O OD1 . ASN A 1 13 ? -11.430 4.527 -8.246 1.00 84.83 13 A 1 ATOM 111 N ND2 . ASN A 1 13 ? -10.113 3.015 -9.122 1.00 84.94 13 A 1 ATOM 112 N N . GLU A 1 14 ? -12.206 7.432 -9.323 1.00 96.85 14 A 1 ATOM 113 C CA . GLU A 1 14 ? -13.032 8.219 -8.404 1.00 96.91 14 A 1 ATOM 114 C C . GLU A 1 14 ? -13.196 7.565 -7.020 1.00 97.00 14 A 1 ATOM 115 O O . GLU A 1 14 ? -13.075 8.243 -5.994 1.00 96.15 14 A 1 ATOM 116 C CB . GLU A 1 14 ? -14.396 8.479 -9.061 1.00 96.24 14 A 1 ATOM 117 C CG . GLU A 1 14 ? -15.233 9.432 -8.207 1.00 89.71 14 A 1 ATOM 118 C CD . GLU A 1 14 ? -16.599 9.778 -8.798 1.00 84.88 14 A 1 ATOM 119 O OE1 . GLU A 1 14 ? -17.329 10.511 -8.081 1.00 79.50 14 A 1 ATOM 120 O OE2 . GLU A 1 14 ? -16.934 9.311 -9.899 1.00 78.74 14 A 1 ATOM 121 N N . ASN A 1 15 ? -13.453 6.254 -6.985 1.00 96.59 15 A 1 ATOM 122 C CA . ASN A 1 15 ? -13.703 5.532 -5.740 1.00 96.31 15 A 1 ATOM 123 C C . ASN A 1 15 ? -12.441 5.437 -4.879 1.00 97.12 15 A 1 ATOM 124 O O . ASN A 1 15 ? -12.465 5.789 -3.697 1.00 97.04 15 A 1 ATOM 125 C CB . ASN A 1 15 ? -14.265 4.142 -6.066 1.00 94.68 15 A 1 ATOM 126 C CG . ASN A 1 15 ? -15.687 4.194 -6.602 1.00 80.72 15 A 1 ATOM 127 O OD1 . ASN A 1 15 ? -16.455 5.102 -6.329 1.00 70.73 15 A 1 ATOM 128 N ND2 . ASN A 1 15 ? -16.085 3.197 -7.363 1.00 69.18 15 A 1 ATOM 129 N N . ASP A 1 16 ? -11.331 5.044 -5.479 1.00 97.56 16 A 1 ATOM 130 C CA . ASP A 1 16 ? -10.065 4.867 -4.766 1.00 98.08 16 A 1 ATOM 131 C C . ASP A 1 16 ? -9.494 6.215 -4.327 1.00 98.30 16 A 1 ATOM 132 O O . ASP A 1 16 ? -9.049 6.359 -3.186 1.00 98.17 16 A 1 ATOM 133 C CB . ASP A 1 16 ? -9.070 4.114 -5.654 1.00 97.89 16 A 1 ATOM 134 C CG . ASP A 1 16 ? -9.495 2.684 -5.989 1.00 97.53 16 A 1 ATOM 135 O OD1 . ASP A 1 16 ? -10.568 2.215 -5.541 1.00 95.94 16 A 1 ATOM 136 O OD2 . ASP A 1 16 ? -8.726 2.030 -6.719 1.00 95.35 16 A 1 ATOM 137 N N . ARG A 1 17 ? -9.602 7.245 -5.174 1.00 98.18 17 A 1 ATOM 138 C CA . ARG A 1 17 ? -9.225 8.616 -4.820 1.00 98.14 17 A 1 ATOM 139 C C . ARG A 1 17 ? -10.041 9.141 -3.641 1.00 98.17 17 A 1 ATOM 140 O O . ARG A 1 17 ? -9.475 9.756 -2.737 1.00 97.82 17 A 1 ATOM 141 C CB . ARG A 1 17 ? -9.366 9.518 -6.056 1.00 97.32 17 A 1 ATOM 142 C CG . ARG A 1 17 ? -8.918 10.958 -5.774 1.00 92.77 17 A 1 ATOM 143 C CD . ARG A 1 17 ? -8.951 11.806 -7.044 1.00 89.45 17 A 1 ATOM 144 N NE . ARG A 1 17 ? -10.315 11.932 -7.601 1.00 79.66 17 A 1 ATOM 145 C CZ . ARG A 1 17 ? -10.685 11.756 -8.865 1.00 71.80 17 A 1 ATOM 146 N NH1 . ARG A 1 17 ? -9.836 11.437 -9.802 1.00 64.10 17 A 1 ATOM 147 N NH2 . ARG A 1 17 ? -11.930 11.909 -9.214 1.00 64.22 17 A 1 ATOM 148 N N . LYS A 1 18 ? -11.349 8.895 -3.618 1.00 98.14 18 A 1 ATOM 149 C CA . LYS A 1 18 ? -12.207 9.253 -2.477 1.00 97.99 18 A 1 ATOM 150 C C . LYS A 1 18 ? -11.794 8.491 -1.217 1.00 98.05 18 A 1 ATOM 151 O O . LYS A 1 18 ? -11.616 9.113 -0.171 1.00 97.77 18 A 1 ATOM 152 C CB . LYS A 1 18 ? -13.687 8.999 -2.805 1.00 97.65 18 A 1 ATOM 153 C CG . LYS A 1 18 ? -14.286 10.098 -3.697 1.00 93.15 18 A 1 ATOM 154 C CD . LYS A 1 18 ? -15.732 9.742 -4.082 1.00 90.28 18 A 1 ATOM 155 C CE . LYS A 1 18 ? -16.323 10.825 -4.995 1.00 82.03 18 A 1 ATOM 156 N NZ . LYS A 1 18 ? -17.652 10.434 -5.543 1.00 74.96 18 A 1 ATOM 157 N N . PHE A 1 19 ? -11.579 7.185 -1.317 1.00 97.99 19 A 1 ATOM 158 C CA . PHE A 1 19 ? -11.130 6.377 -0.186 1.00 98.10 19 A 1 ATOM 159 C C . PHE A 1 19 ? -9.800 6.889 0.390 1.00 98.16 19 A 1 ATOM 160 O O . PHE A 1 19 ? -9.699 7.142 1.590 1.00 98.09 19 A 1 ATOM 161 C CB . PHE A 1 19 ? -11.019 4.910 -0.617 1.00 98.03 19 A 1 ATOM 162 C CG . PHE A 1 19 ? -10.397 4.031 0.447 1.00 98.21 19 A 1 ATOM 163 C CD1 . PHE A 1 19 ? -9.068 3.590 0.320 1.00 98.04 19 A 1 ATOM 164 C CD2 . PHE A 1 19 ? -11.130 3.700 1.602 1.00 98.05 19 A 1 ATOM 165 C CE1 . PHE A 1 19 ? -8.476 2.814 1.331 1.00 97.84 19 A 1 ATOM 166 C CE2 . PHE A 1 19 ? -10.543 2.926 2.615 1.00 97.76 19 A 1 ATOM 167 C CZ . PHE A 1 19 ? -9.217 2.483 2.479 1.00 97.90 19 A 1 ATOM 168 N N . VAL A 1 20 ? -8.808 7.118 -0.459 1.00 98.51 20 A 1 ATOM 169 C CA . VAL A 1 20 ? -7.490 7.592 -0.018 1.00 98.55 20 A 1 ATOM 170 C C . VAL A 1 20 ? -7.565 8.999 0.569 1.00 98.44 20 A 1 ATOM 171 O O . VAL A 1 20 ? -7.097 9.213 1.683 1.00 98.29 20 A 1 ATOM 172 C CB . VAL A 1 20 ? -6.467 7.502 -1.164 1.00 98.51 20 A 1 ATOM 173 C CG1 . VAL A 1 20 ? -5.130 8.157 -0.805 1.00 97.95 20 A 1 ATOM 174 C CG2 . VAL A 1 20 ? -6.180 6.033 -1.494 1.00 98.03 20 A 1 ATOM 175 N N . ASN A 1 21 ? -8.174 9.956 -0.139 1.00 98.35 21 A 1 ATOM 176 C CA . ASN A 1 21 ? -8.125 11.366 0.255 1.00 98.07 21 A 1 ATOM 177 C C . ASN A 1 21 ? -9.126 11.755 1.346 1.00 97.98 21 A 1 ATOM 178 O O . ASN A 1 21 ? -8.849 12.682 2.106 1.00 97.17 21 A 1 ATOM 179 C CB . ASN A 1 21 ? -8.289 12.258 -0.980 1.00 97.51 21 A 1 ATOM 180 C CG . ASN A 1 21 ? -7.055 12.212 -1.860 1.00 94.41 21 A 1 ATOM 181 O OD1 . ASN A 1 21 ? -6.018 12.756 -1.530 1.00 84.88 21 A 1 ATOM 182 N ND2 . ASN A 1 21 ? -7.124 11.537 -2.983 1.00 82.27 21 A 1 ATOM 183 N N . PHE A 1 22 ? -10.273 11.069 1.444 1.00 97.84 22 A 1 ATOM 184 C CA . PHE A 1 22 ? -11.326 11.426 2.401 1.00 97.65 22 A 1 ATOM 185 C C . PHE A 1 22 ? -11.454 10.458 3.577 1.00 97.57 22 A 1 ATOM 186 O O . PHE A 1 22 ? -12.080 10.817 4.575 1.00 96.61 22 A 1 ATOM 187 C CB . PHE A 1 22 ? -12.667 11.595 1.669 1.00 97.21 22 A 1 ATOM 188 C CG . PHE A 1 22 ? -12.653 12.642 0.572 1.00 95.33 22 A 1 ATOM 189 C CD1 . PHE A 1 22 ? -12.242 13.959 0.851 1.00 91.14 22 A 1 ATOM 190 C CD2 . PHE A 1 22 ? -13.058 12.312 -0.734 1.00 90.40 22 A 1 ATOM 191 C CE1 . PHE A 1 22 ? -12.233 14.931 -0.162 1.00 88.30 22 A 1 ATOM 192 C CE2 . PHE A 1 22 ? -13.054 13.281 -1.750 1.00 87.61 22 A 1 ATOM 193 C CZ . PHE A 1 22 ? -12.641 14.589 -1.460 1.00 87.38 22 A 1 ATOM 194 N N . ILE A 1 23 ? -10.859 9.272 3.504 1.00 97.90 23 A 1 ATOM 195 C CA . ILE A 1 23 ? -10.952 8.276 4.575 1.00 97.83 23 A 1 ATOM 196 C C . ILE A 1 23 ? -9.562 7.927 5.108 1.00 97.94 23 A 1 ATOM 197 O O . ILE A 1 23 ? -9.264 8.196 6.273 1.00 97.69 23 A 1 ATOM 198 C CB . ILE A 1 23 ? -11.762 7.037 4.120 1.00 97.67 23 A 1 ATOM 199 C CG1 . ILE A 1 23 ? -13.176 7.442 3.621 1.00 96.90 23 A 1 ATOM 200 C CG2 . ILE A 1 23 ? -11.843 6.020 5.268 1.00 97.02 23 A 1 ATOM 201 C CD1 . ILE A 1 23 ? -14.007 6.285 3.059 1.00 93.91 23 A 1 ATOM 202 N N . LEU A 1 24 ? -8.702 7.340 4.282 1.00 98.08 24 A 1 ATOM 203 C CA . LEU A 1 24 ? -7.422 6.800 4.739 1.00 98.14 24 A 1 ATOM 204 C C . LEU A 1 24 ? -6.466 7.907 5.203 1.00 98.07 24 A 1 ATOM 205 O O . LEU A 1 24 ? -6.018 7.894 6.353 1.00 97.87 24 A 1 ATOM 206 C CB . LEU A 1 24 ? -6.821 5.940 3.611 1.00 98.12 24 A 1 ATOM 207 C CG . LEU A 1 24 ? -5.497 5.248 3.984 1.00 97.49 24 A 1 ATOM 208 C CD1 . LEU A 1 24 ? -5.686 4.232 5.110 1.00 97.18 24 A 1 ATOM 209 C CD2 . LEU A 1 24 ? -4.943 4.524 2.761 1.00 97.23 24 A 1 ATOM 210 N N . LYS A 1 25 ? -6.183 8.870 4.329 1.00 98.15 25 A 1 ATOM 211 C CA . LYS A 1 25 ? -5.275 9.982 4.617 1.00 98.04 25 A 1 ATOM 212 C C . LYS A 1 25 ? -5.723 10.804 5.831 1.00 97.88 25 A 1 ATOM 213 O O . LYS A 1 25 ? -4.934 10.902 6.772 1.00 97.67 25 A 1 ATOM 214 C CB . LYS A 1 25 ? -5.040 10.811 3.340 1.00 97.74 25 A 1 ATOM 215 C CG . LYS A 1 25 ? -4.249 12.094 3.614 1.00 95.45 25 A 1 ATOM 216 C CD . LYS A 1 25 ? -4.057 12.932 2.348 1.00 92.78 25 A 1 ATOM 217 C CE . LYS A 1 25 ? -3.320 14.206 2.771 1.00 85.19 25 A 1 ATOM 218 N NZ . LYS A 1 25 ? -3.170 15.185 1.673 1.00 78.71 25 A 1 ATOM 219 N N . PRO A 1 26 ? -6.966 11.314 5.898 1.00 97.83 26 A 1 ATOM 220 C CA . PRO A 1 26 ? -7.389 12.117 7.046 1.00 97.48 26 A 1 ATOM 221 C C . PRO A 1 26 ? -7.310 11.361 8.367 1.00 97.20 26 A 1 ATOM 222 O O . PRO A 1 26 ? -6.931 11.936 9.383 1.00 96.51 26 A 1 ATOM 223 C CB . PRO A 1 26 ? -8.823 12.554 6.750 1.00 96.97 26 A 1 ATOM 224 C CG . PRO A 1 26 ? -8.892 12.519 5.233 1.00 95.28 26 A 1 ATOM 225 C CD . PRO A 1 26 ? -8.013 11.324 4.891 1.00 97.56 26 A 1 ATOM 226 N N . HIS A 1 27 ? -7.621 10.065 8.377 1.00 97.18 27 A 1 ATOM 227 C CA . HIS A 1 27 ? -7.539 9.279 9.605 1.00 96.73 27 A 1 ATOM 228 C C . HIS A 1 27 ? -6.090 9.096 10.069 1.00 96.49 27 A 1 ATOM 229 O O . HIS A 1 27 ? -5.785 9.301 11.245 1.00 95.88 27 A 1 ATOM 230 C CB . HIS A 1 27 ? -8.238 7.939 9.395 1.00 96.12 27 A 1 ATOM 231 C CG . HIS A 1 27 ? -8.623 7.261 10.676 1.00 92.11 27 A 1 ATOM 232 N ND1 . HIS A 1 27 ? -9.921 7.110 11.125 1.00 77.69 27 A 1 ATOM 233 C CD2 . HIS A 1 27 ? -7.815 6.639 11.583 1.00 78.85 27 A 1 ATOM 234 C CE1 . HIS A 1 27 ? -9.884 6.392 12.255 1.00 79.89 27 A 1 ATOM 235 N NE2 . HIS A 1 27 ? -8.628 6.098 12.574 1.00 81.16 27 A 1 ATOM 236 N N . LEU A 1 28 ? -5.194 8.747 9.158 1.00 97.21 28 A 1 ATOM 237 C CA . LEU A 1 28 ? -3.783 8.566 9.487 1.00 96.99 28 A 1 ATOM 238 C C . LEU A 1 28 ? -3.101 9.883 9.885 1.00 96.42 28 A 1 ATOM 239 O O . LEU A 1 28 ? -2.327 9.898 10.840 1.00 95.68 28 A 1 ATOM 240 C CB . LEU A 1 28 ? -3.061 7.907 8.302 1.00 97.18 28 A 1 ATOM 241 C CG . LEU A 1 28 ? -3.437 6.437 8.045 1.00 96.63 28 A 1 ATOM 242 C CD1 . LEU A 1 28 ? -2.704 5.939 6.802 1.00 95.87 28 A 1 ATOM 243 C CD2 . LEU A 1 28 ? -3.056 5.529 9.213 1.00 95.59 28 A 1 ATOM 244 N N . GLU A 1 29 ? -3.404 10.976 9.206 1.00 97.18 29 A 1 ATOM 245 C CA . GLU A 1 29 ? -2.824 12.286 9.513 1.00 96.91 29 A 1 ATOM 246 C C . GLU A 1 29 ? -3.411 12.891 10.796 1.00 96.08 29 A 1 ATOM 247 O O . GLU A 1 29 ? -2.667 13.213 11.721 1.00 94.89 29 A 1 ATOM 248 C CB . GLU A 1 29 ? -2.995 13.247 8.327 1.00 96.96 29 A 1 ATOM 249 C CG . GLU A 1 29 ? -2.109 12.854 7.139 1.00 95.96 29 A 1 ATOM 250 C CD . GLU A 1 29 ? -2.207 13.806 5.937 1.00 95.64 29 A 1 ATOM 251 O OE1 . GLU A 1 29 ? -1.273 13.806 5.101 1.00 93.21 29 A 1 ATOM 252 O OE2 . GLU A 1 29 ? -3.229 14.507 5.773 1.00 93.57 29 A 1 ATOM 253 N N . ASN A 1 30 ? -4.730 12.993 10.894 1.00 96.08 30 A 1 ATOM 254 C CA . ASN A 1 30 ? -5.375 13.730 11.981 1.00 95.23 30 A 1 ATOM 255 C C . ASN A 1 30 ? -5.438 12.931 13.284 1.00 94.08 30 A 1 ATOM 256 O O . ASN A 1 30 ? -5.327 13.499 14.365 1.00 92.02 30 A 1 ATOM 257 C CB . ASN A 1 30 ? -6.786 14.160 11.554 1.00 94.73 30 A 1 ATOM 258 C CG . ASN A 1 30 ? -6.792 15.044 10.316 1.00 91.98 30 A 1 ATOM 259 O OD1 . ASN A 1 30 ? -5.845 15.729 9.994 1.00 86.61 30 A 1 ATOM 260 N ND2 . ASN A 1 30 ? -7.884 15.055 9.582 1.00 85.02 30 A 1 ATOM 261 N N . LYS A 1 31 ? -5.647 11.603 13.197 1.00 94.25 31 A 1 ATOM 262 C CA . LYS A 1 31 ? -5.831 10.771 14.390 1.00 92.56 31 A 1 ATOM 263 C C . LYS A 1 31 ? -4.538 10.134 14.886 1.00 91.70 31 A 1 ATOM 264 O O . LYS A 1 31 ? -4.368 9.967 16.092 1.00 89.17 31 A 1 ATOM 265 C CB . LYS A 1 31 ? -6.926 9.739 14.119 1.00 91.36 31 A 1 ATOM 266 C CG . LYS A 1 31 ? -7.357 9.063 15.416 1.00 84.69 31 A 1 ATOM 267 C CD . LYS A 1 31 ? -8.572 8.180 15.169 1.00 78.56 31 A 1 ATOM 268 C CE . LYS A 1 31 ? -9.011 7.602 16.507 1.00 71.23 31 A 1 ATOM 269 N NZ . LYS A 1 31 ? -10.341 6.993 16.408 1.00 63.08 31 A 1 ATOM 270 N N . TYR A 1 32 ? -3.645 9.780 13.978 1.00 92.94 32 A 1 ATOM 271 C CA . TYR A 1 32 ? -2.360 9.167 14.322 1.00 92.02 32 A 1 ATOM 272 C C . TYR A 1 32 ? -1.155 10.081 14.052 1.00 92.16 32 A 1 ATOM 273 O O . TYR A 1 32 ? -0.013 9.662 14.244 1.00 90.24 32 A 1 ATOM 274 C CB . TYR A 1 32 ? -2.241 7.810 13.620 1.00 90.52 32 A 1 ATOM 275 C CG . TYR A 1 32 ? -3.365 6.834 13.909 1.00 87.82 32 A 1 ATOM 276 C CD1 . TYR A 1 32 ? -3.689 6.489 15.236 1.00 82.96 32 A 1 ATOM 277 C CD2 . TYR A 1 32 ? -4.083 6.244 12.851 1.00 82.69 32 A 1 ATOM 278 C CE1 . TYR A 1 32 ? -4.718 5.572 15.503 1.00 79.81 32 A 1 ATOM 279 C CE2 . TYR A 1 32 ? -5.110 5.325 13.109 1.00 79.69 32 A 1 ATOM 280 C CZ . TYR A 1 32 ? -5.425 4.991 14.438 1.00 79.54 32 A 1 ATOM 281 O OH . TYR A 1 32 ? -6.432 4.093 14.697 1.00 75.64 32 A 1 ATOM 282 N N . SER A 1 33 ? -1.389 11.318 13.612 1.00 93.77 33 A 1 ATOM 283 C CA . SER A 1 33 ? -0.376 12.332 13.301 1.00 94.29 33 A 1 ATOM 284 C C . SER A 1 33 ? 0.685 11.859 12.300 1.00 94.97 33 A 1 ATOM 285 O O . SER A 1 33 ? 1.804 12.368 12.296 1.00 93.28 33 A 1 ATOM 286 C CB . SER A 1 33 ? 0.251 12.886 14.584 1.00 92.80 33 A 1 ATOM 287 O OG . SER A 1 33 ? -0.758 13.392 15.435 1.00 84.65 33 A 1 ATOM 288 N N . HIS A 1 34 ? 0.369 10.864 11.454 1.00 95.68 34 A 1 ATOM 289 C CA . HIS A 1 34 ? 1.326 10.323 10.493 1.00 96.36 34 A 1 ATOM 290 C C . HIS A 1 34 ? 1.613 11.306 9.356 1.00 96.76 34 A 1 ATOM 291 O O . HIS A 1 34 ? 0.722 11.985 8.863 1.00 96.43 34 A 1 ATOM 292 C CB . HIS A 1 34 ? 0.851 8.971 9.964 1.00 95.97 34 A 1 ATOM 293 C CG . HIS A 1 34 ? 1.020 7.866 10.966 1.00 95.44 34 A 1 ATOM 294 N ND1 . HIS A 1 34 ? 2.191 7.532 11.618 1.00 87.92 34 A 1 ATOM 295 C CD2 . HIS A 1 34 ? 0.059 6.993 11.410 1.00 88.10 34 A 1 ATOM 296 C CE1 . HIS A 1 34 ? 1.936 6.497 12.429 1.00 89.31 34 A 1 ATOM 297 N NE2 . HIS A 1 34 ? 0.652 6.139 12.330 1.00 90.47 34 A 1 ATOM 298 N N . LYS A 1 35 ? 2.874 11.355 8.908 1.00 96.90 35 A 1 ATOM 299 C CA . LYS A 1 35 ? 3.265 12.042 7.674 1.00 96.93 35 A 1 ATOM 300 C C . LYS A 1 35 ? 3.208 11.048 6.523 1.00 97.19 35 A 1 ATOM 301 O O . LYS A 1 35 ? 3.875 10.013 6.573 1.00 96.73 35 A 1 ATOM 302 C CB . LYS A 1 35 ? 4.656 12.670 7.793 1.00 96.13 35 A 1 ATOM 303 C CG . LYS A 1 35 ? 4.682 13.838 8.792 1.00 87.59 35 A 1 ATOM 304 C CD . LYS A 1 35 ? 6.062 14.498 8.814 1.00 82.46 35 A 1 ATOM 305 C CE . LYS A 1 35 ? 6.073 15.672 9.795 1.00 71.88 35 A 1 ATOM 306 N NZ . LYS A 1 35 ? 7.375 16.395 9.789 1.00 63.82 35 A 1 ATOM 307 N N . LEU A 1 36 ? 2.436 11.377 5.495 1.00 97.51 36 A 1 ATOM 308 C CA . LEU A 1 36 ? 2.175 10.502 4.359 1.00 97.57 36 A 1 ATOM 309 C C . LEU A 1 36 ? 2.756 11.097 3.080 1.00 97.40 36 A 1 ATOM 310 O O . LEU A 1 36 ? 2.801 12.313 2.910 1.00 96.91 36 A 1 ATOM 311 C CB . LEU A 1 36 ? 0.665 10.255 4.226 1.00 97.56 36 A 1 ATOM 312 C CG . LEU A 1 36 ? -0.023 9.726 5.498 1.00 97.18 36 A 1 ATOM 313 C CD1 . LEU A 1 36 ? -1.514 9.584 5.241 1.00 96.68 36 A 1 ATOM 314 C CD2 . LEU A 1 36 ? 0.531 8.368 5.937 1.00 96.52 36 A 1 ATOM 315 N N . LEU A 1 37 ? 3.173 10.216 2.184 1.00 97.32 37 A 1 ATOM 316 C CA . LEU A 1 37 ? 3.465 10.551 0.801 1.00 97.07 37 A 1 ATOM 317 C C . LEU A 1 37 ? 2.501 9.755 -0.078 1.00 97.27 37 A 1 ATOM 318 O O . LEU A 1 37 ? 2.436 8.534 0.044 1.00 96.69 37 A 1 ATOM 319 C CB . LEU A 1 37 ? 4.943 10.243 0.520 1.00 95.96 37 A 1 ATOM 320 C CG . LEU A 1 37 ? 5.418 10.695 -0.872 1.00 89.64 37 A 1 ATOM 321 C CD1 . LEU A 1 37 ? 5.366 12.212 -1.039 1.00 87.31 37 A 1 ATOM 322 C CD2 . LEU A 1 37 ? 6.871 10.263 -1.045 1.00 87.16 37 A 1 ATOM 323 N N . LEU A 1 38 ? 1.731 10.443 -0.920 1.00 97.30 38 A 1 ATOM 324 C CA . LEU A 1 38 ? 0.756 9.815 -1.806 1.00 97.06 38 A 1 ATOM 325 C C . LEU A 1 38 ? 1.313 9.777 -3.222 1.00 96.40 38 A 1 ATOM 326 O O . LEU A 1 38 ? 1.969 10.727 -3.648 1.00 95.07 38 A 1 ATOM 327 C CB . LEU A 1 38 ? -0.590 10.561 -1.753 1.00 96.85 38 A 1 ATOM 328 C CG . LEU A 1 38 ? -1.486 10.195 -0.552 1.00 95.05 38 A 1 ATOM 329 C CD1 . LEU A 1 38 ? -0.936 10.662 0.797 1.00 91.59 38 A 1 ATOM 330 C CD2 . LEU A 1 38 ? -2.866 10.828 -0.729 1.00 90.59 38 A 1 ATOM 331 N N . ASN A 1 39 ? 1.036 8.689 -3.944 1.00 96.58 39 A 1 ATOM 332 C CA . ASN A 1 39 ? 1.367 8.550 -5.355 1.00 96.49 39 A 1 ATOM 333 C C . ASN A 1 39 ? 0.255 7.764 -6.061 1.00 97.31 39 A 1 ATOM 334 O O . ASN A 1 39 ? -0.108 6.671 -5.629 1.00 96.91 39 A 1 ATOM 335 C CB . ASN A 1 39 ? 2.743 7.882 -5.465 1.00 94.02 39 A 1 ATOM 336 C CG . ASN A 1 39 ? 3.261 7.842 -6.888 1.00 89.70 39 A 1 ATOM 337 O OD1 . ASN A 1 39 ? 2.580 7.468 -7.807 1.00 78.48 39 A 1 ATOM 338 N ND2 . ASN A 1 39 ? 4.498 8.226 -7.104 1.00 77.71 39 A 1 ATOM 339 N N . ASP A 1 40 ? -0.275 8.342 -7.129 1.00 97.26 40 A 1 ATOM 340 C CA . ASP A 1 40 ? -1.325 7.776 -7.975 1.00 97.26 40 A 1 ATOM 341 C C . ASP A 1 40 ? -0.808 7.332 -9.348 1.00 97.06 40 A 1 ATOM 342 O O . ASP A 1 40 ? -1.591 6.987 -10.234 1.00 95.40 40 A 1 ATOM 343 C CB . ASP A 1 40 ? -2.496 8.769 -8.077 1.00 96.73 40 A 1 ATOM 344 C CG . ASP A 1 40 ? -2.170 10.104 -8.759 1.00 96.09 40 A 1 ATOM 345 O OD1 . ASP A 1 40 ? -0.981 10.455 -8.877 1.00 93.79 40 A 1 ATOM 346 O OD2 . ASP A 1 40 ? -3.150 10.809 -9.107 1.00 92.33 40 A 1 ATOM 347 N N . THR A 1 41 ? 0.508 7.305 -9.528 1.00 96.20 41 A 1 ATOM 348 C CA . THR A 1 41 ? 1.152 6.873 -10.768 1.00 95.57 41 A 1 ATOM 349 C C . THR A 1 41 ? 1.529 5.392 -10.719 1.00 95.98 41 A 1 ATOM 350 O O . THR A 1 41 ? 1.547 4.752 -9.662 1.00 94.41 41 A 1 ATOM 351 C CB . THR A 1 41 ? 2.368 7.749 -11.130 1.00 93.54 41 A 1 ATOM 352 O OG1 . THR A 1 41 ? 3.474 7.466 -10.308 1.00 86.55 41 A 1 ATOM 353 C CG2 . THR A 1 41 ? 2.074 9.246 -11.065 1.00 85.24 41 A 1 ATOM 354 N N . ASN A 1 42 ? 1.851 4.817 -11.889 1.00 95.67 42 A 1 ATOM 355 C CA . ASN A 1 42 ? 2.354 3.452 -11.963 1.00 96.07 42 A 1 ATOM 356 C C . ASN A 1 42 ? 3.749 3.360 -11.327 1.00 96.38 42 A 1 ATOM 357 O O . ASN A 1 42 ? 4.730 3.870 -11.862 1.00 95.66 42 A 1 ATOM 358 C CB . ASN A 1 42 ? 2.341 2.980 -13.426 1.00 95.04 42 A 1 ATOM 359 C CG . ASN A 1 42 ? 2.755 1.522 -13.559 1.00 94.47 42 A 1 ATOM 360 O OD1 . ASN A 1 42 ? 2.997 0.823 -12.591 1.00 91.95 42 A 1 ATOM 361 N ND2 . ASN A 1 42 ? 2.838 1.019 -14.775 1.00 90.70 42 A 1 ATOM 362 N N . ILE A 1 43 ? 3.843 2.663 -10.196 1.00 97.08 43 A 1 ATOM 363 C CA . ILE A 1 43 ? 5.098 2.484 -9.449 1.00 97.07 43 A 1 ATOM 364 C C . ILE A 1 43 ? 6.009 1.395 -10.028 1.00 97.39 43 A 1 ATOM 365 O O . ILE A 1 43 ? 7.184 1.339 -9.668 1.00 96.79 43 A 1 ATOM 366 C CB . ILE A 1 43 ? 4.807 2.226 -7.955 1.00 96.65 43 A 1 ATOM 367 C CG1 . ILE A 1 43 ? 3.921 0.983 -7.714 1.00 95.37 43 A 1 ATOM 368 C CG2 . ILE A 1 43 ? 4.186 3.496 -7.334 1.00 93.16 43 A 1 ATOM 369 C CD1 . ILE A 1 43 ? 3.859 0.550 -6.242 1.00 94.99 43 A 1 ATOM 370 N N . LEU A 1 44 ? 5.482 0.530 -10.901 1.00 97.32 44 A 1 ATOM 371 C CA . LEU A 1 44 ? 6.171 -0.629 -11.471 1.00 97.40 44 A 1 ATOM 372 C C . LEU A 1 44 ? 5.972 -0.702 -12.999 1.00 97.26 44 A 1 ATOM 373 O O . LEU A 1 44 ? 5.436 -1.691 -13.504 1.00 96.09 44 A 1 ATOM 374 C CB . LEU A 1 44 ? 5.677 -1.907 -10.764 1.00 97.07 44 A 1 ATOM 375 C CG . LEU A 1 44 ? 6.120 -2.065 -9.300 1.00 96.51 44 A 1 ATOM 376 C CD1 . LEU A 1 44 ? 5.318 -3.171 -8.633 1.00 95.39 44 A 1 ATOM 377 C CD2 . LEU A 1 44 ? 7.598 -2.451 -9.201 1.00 95.64 44 A 1 ATOM 378 N N . PRO A 1 45 ? 6.380 0.330 -13.768 1.00 96.91 45 A 1 ATOM 379 C CA . PRO A 1 45 ? 6.272 0.275 -15.221 1.00 96.21 45 A 1 ATOM 380 C C . PRO A 1 45 ? 7.106 -0.896 -15.756 1.00 95.95 45 A 1 ATOM 381 O O . PRO A 1 45 ? 8.288 -1.023 -15.432 1.00 93.68 45 A 1 ATOM 382 C CB . PRO A 1 45 ? 6.774 1.635 -15.718 1.00 95.37 45 A 1 ATOM 383 C CG . PRO A 1 45 ? 7.725 2.100 -14.613 1.00 93.86 45 A 1 ATOM 384 C CD . PRO A 1 45 ? 7.073 1.535 -13.350 1.00 96.54 45 A 1 ATOM 385 N N . GLY A 1 46 ? 6.473 -1.774 -16.535 1.00 95.54 46 A 1 ATOM 386 C CA . GLY A 1 46 ? 7.114 -3.005 -17.017 1.00 94.71 46 A 1 ATOM 387 C C . GLY A 1 46 ? 7.458 -4.024 -15.913 1.00 95.48 46 A 1 ATOM 388 O O . GLY A 1 46 ? 8.340 -4.854 -16.099 1.00 92.75 46 A 1 ATOM 389 N N . ALA A 1 47 ? 6.781 -3.938 -14.771 1.00 94.93 47 A 1 ATOM 390 C CA . ALA A 1 47 ? 7.071 -4.696 -13.545 1.00 95.38 47 A 1 ATOM 391 C C . ALA A 1 47 ? 8.443 -4.390 -12.907 1.00 96.04 47 A 1 ATOM 392 O O . ALA A 1 47 ? 8.881 -5.126 -12.021 1.00 94.57 47 A 1 ATOM 393 C CB . ALA A 1 47 ? 6.803 -6.193 -13.756 1.00 94.27 47 A 1 ATOM 394 N N . GLU A 1 48 ? 9.076 -3.286 -13.285 1.00 97.10 48 A 1 ATOM 395 C CA . GLU A 1 48 ? 10.325 -2.799 -12.697 1.00 97.14 48 A 1 ATOM 396 C C . GLU A 1 48 ? 10.078 -1.544 -11.844 1.00 97.30 48 A 1 ATOM 397 O O . GLU A 1 48 ? 9.261 -0.695 -12.207 1.00 96.60 48 A 1 ATOM 398 C CB . GLU A 1 48 ? 11.359 -2.521 -13.799 1.00 96.31 48 A 1 ATOM 399 C CG . GLU A 1 48 ? 11.888 -3.801 -14.470 1.00 91.72 48 A 1 ATOM 400 C CD . GLU A 1 48 ? 12.575 -4.759 -13.471 1.00 89.24 48 A 1 ATOM 401 O OE1 . GLU A 1 48 ? 12.454 -5.989 -13.650 1.00 81.87 48 A 1 ATOM 402 O OE2 . GLU A 1 48 ? 13.193 -4.257 -12.509 1.00 83.08 48 A 1 ATOM 403 N N . PRO A 1 49 ? 10.779 -1.384 -10.713 1.00 97.60 49 A 1 ATOM 404 C CA . PRO A 1 49 ? 10.604 -0.216 -9.859 1.00 97.50 49 A 1 ATOM 405 C C . PRO A 1 49 ? 10.937 1.090 -10.590 1.00 97.50 49 A 1 ATOM 406 O O . PRO A 1 49 ? 12.050 1.280 -11.081 1.00 96.98 49 A 1 ATOM 407 C CB . PRO A 1 49 ? 11.520 -0.436 -8.655 1.00 97.01 49 A 1 ATOM 408 C CG . PRO A 1 49 ? 11.710 -1.949 -8.617 1.00 95.58 49 A 1 ATOM 409 C CD . PRO A 1 49 ? 11.691 -2.327 -10.091 1.00 97.15 49 A 1 ATOM 410 N N . SER A 1 50 ? 10.001 2.036 -10.599 1.00 97.43 50 A 1 ATOM 411 C CA . SER A 1 50 ? 10.267 3.372 -11.127 1.00 97.16 50 A 1 ATOM 412 C C . SER A 1 50 ? 11.301 4.113 -10.266 1.00 97.23 50 A 1 ATOM 413 O O . SER A 1 50 ? 11.426 3.883 -9.057 1.00 97.01 50 A 1 ATOM 414 C CB . SER A 1 50 ? 8.967 4.179 -11.266 1.00 96.54 50 A 1 ATOM 415 O OG . SER A 1 50 ? 8.471 4.576 -10.005 1.00 94.85 50 A 1 ATOM 416 N N . ALA A 1 51 ? 12.014 5.063 -10.866 1.00 96.99 51 A 1 ATOM 417 C CA . ALA A 1 51 ? 12.939 5.926 -10.120 1.00 96.56 51 A 1 ATOM 418 C C . ALA A 1 51 ? 12.225 6.683 -8.985 1.00 96.26 51 A 1 ATOM 419 O O . ALA A 1 51 ? 12.764 6.835 -7.887 1.00 95.43 51 A 1 ATOM 420 C CB . ALA A 1 51 ? 13.592 6.895 -11.110 1.00 95.95 51 A 1 ATOM 421 N N . GLU A 1 52 ? 10.984 7.088 -9.230 1.00 96.02 52 A 1 ATOM 422 C CA . GLU A 1 52 ? 10.147 7.744 -8.234 1.00 95.23 52 A 1 ATOM 423 C C . GLU A 1 52 ? 9.813 6.805 -7.065 1.00 95.46 52 A 1 ATOM 424 O O . GLU A 1 52 ? 9.938 7.203 -5.906 1.00 94.67 52 A 1 ATOM 425 C CB . GLU A 1 52 ? 8.877 8.269 -8.912 1.00 93.39 52 A 1 ATOM 426 C CG . GLU A 1 52 ? 8.086 9.152 -7.950 1.00 81.44 52 A 1 ATOM 427 C CD . GLU A 1 52 ? 6.779 9.693 -8.525 1.00 76.32 52 A 1 ATOM 428 O OE1 . GLU A 1 52 ? 6.220 10.602 -7.865 1.00 70.68 52 A 1 ATOM 429 O OE2 . GLU A 1 52 ? 6.297 9.152 -9.538 1.00 69.51 52 A 1 ATOM 430 N N . LEU A 1 53 ? 9.459 5.539 -7.344 1.00 96.36 53 A 1 ATOM 431 C CA . LEU A 1 53 ? 9.217 4.541 -6.301 1.00 96.68 53 A 1 ATOM 432 C C . LEU A 1 53 ? 10.456 4.339 -5.430 1.00 96.56 53 A 1 ATOM 433 O O . LEU A 1 53 ? 10.354 4.370 -4.202 1.00 96.16 53 A 1 ATOM 434 C CB . LEU A 1 53 ? 8.773 3.211 -6.938 1.00 96.71 53 A 1 ATOM 435 C CG . LEU A 1 53 ? 8.552 2.084 -5.911 1.00 96.47 53 A 1 ATOM 436 C CD1 . LEU A 1 53 ? 7.392 2.399 -4.971 1.00 95.63 53 A 1 ATOM 437 C CD2 . LEU A 1 53 ? 8.272 0.759 -6.602 1.00 95.48 53 A 1 ATOM 438 N N . LEU A 1 54 ? 11.622 4.167 -6.034 1.00 96.90 54 A 1 ATOM 439 C CA . LEU A 1 54 ? 12.885 3.974 -5.317 1.00 96.44 54 A 1 ATOM 440 C C . LEU A 1 54 ? 13.196 5.163 -4.398 1.00 95.62 54 A 1 ATOM 441 O O . LEU A 1 54 ? 13.491 4.983 -3.213 1.00 94.63 54 A 1 ATOM 442 C CB . LEU A 1 54 ? 14.023 3.753 -6.333 1.00 96.35 54 A 1 ATOM 443 C CG . LEU A 1 54 ? 13.936 2.438 -7.134 1.00 95.30 54 A 1 ATOM 444 C CD1 . LEU A 1 54 ? 15.042 2.402 -8.184 1.00 94.17 54 A 1 ATOM 445 C CD2 . LEU A 1 54 ? 14.089 1.211 -6.237 1.00 93.91 54 A 1 ATOM 446 N N . MET A 1 55 ? 13.062 6.377 -4.916 1.00 95.27 55 A 1 ATOM 447 C CA . MET A 1 55 ? 13.256 7.597 -4.136 1.00 94.33 55 A 1 ATOM 448 C C . MET A 1 55 ? 12.254 7.692 -2.978 1.00 94.03 55 A 1 ATOM 449 O O . MET A 1 55 ? 12.637 7.926 -1.828 1.00 92.86 55 A 1 ATOM 450 C CB . MET A 1 55 ? 13.144 8.809 -5.068 1.00 92.76 55 A 1 ATOM 451 C CG . MET A 1 55 ? 13.416 10.110 -4.312 1.00 80.73 55 A 1 ATOM 452 S SD . MET A 1 55 ? 13.280 11.643 -5.272 1.00 74.33 55 A 1 ATOM 453 C CE . MET A 1 55 ? 11.521 11.601 -5.726 1.00 64.99 55 A 1 ATOM 454 N N . ASN A 1 56 ? 10.977 7.461 -3.254 1.00 94.27 56 A 1 ATOM 455 C CA . ASN A 1 56 ? 9.904 7.587 -2.275 1.00 93.54 56 A 1 ATOM 456 C C . ASN A 1 56 ? 9.984 6.524 -1.171 1.00 94.29 56 A 1 ATOM 457 O O . ASN A 1 56 ? 9.872 6.852 0.011 1.00 93.26 56 A 1 ATOM 458 C CB . ASN A 1 56 ? 8.571 7.553 -3.035 1.00 91.78 56 A 1 ATOM 459 C CG . ASN A 1 56 ? 8.286 8.853 -3.775 1.00 89.00 56 A 1 ATOM 460 O OD1 . ASN A 1 56 ? 8.851 9.895 -3.491 1.00 83.36 56 A 1 ATOM 461 N ND2 . ASN A 1 56 ? 7.337 8.836 -4.691 1.00 81.93 56 A 1 ATOM 462 N N . ILE A 1 57 ? 10.254 5.262 -1.515 1.00 94.81 57 A 1 ATOM 463 C CA . ILE A 1 57 ? 10.440 4.180 -0.537 1.00 94.48 57 A 1 ATOM 464 C C . ILE A 1 57 ? 11.639 4.448 0.378 1.00 94.88 57 A 1 ATOM 465 O O . ILE A 1 57 ? 11.568 4.175 1.574 1.00 94.12 57 A 1 ATOM 466 C CB . ILE A 1 57 ? 10.543 2.815 -1.257 1.00 92.84 57 A 1 ATOM 467 C CG1 . ILE A 1 57 ? 9.103 2.338 -1.538 1.00 80.89 57 A 1 ATOM 468 C CG2 . ILE A 1 57 ? 11.313 1.763 -0.439 1.00 79.21 57 A 1 ATOM 469 C CD1 . ILE A 1 57 ? 8.996 0.957 -2.171 1.00 73.26 57 A 1 ATOM 470 N N . SER A 1 58 ? 12.725 5.016 -0.132 1.00 95.00 58 A 1 ATOM 471 C CA . SER A 1 58 ? 13.885 5.359 0.699 1.00 94.57 58 A 1 ATOM 472 C C . SER A 1 58 ? 13.525 6.350 1.816 1.00 94.87 58 A 1 ATOM 473 O O . SER A 1 58 ? 14.029 6.246 2.939 1.00 93.34 58 A 1 ATOM 474 C CB . SER A 1 58 ? 15.031 5.879 -0.180 1.00 93.27 58 A 1 ATOM 475 O OG . SER A 1 58 ? 14.846 7.233 -0.526 1.00 82.96 58 A 1 ATOM 476 N N . ARG A 1 59 ? 12.557 7.239 1.550 1.00 95.83 59 A 1 ATOM 477 C CA . ARG A 1 59 ? 12.093 8.312 2.446 1.00 95.96 59 A 1 ATOM 478 C C . ARG A 1 59 ? 10.939 7.903 3.364 1.00 96.35 59 A 1 ATOM 479 O O . ARG A 1 59 ? 10.622 8.644 4.294 1.00 95.44 59 A 1 ATOM 480 C CB . ARG A 1 59 ? 11.710 9.528 1.593 1.00 94.72 59 A 1 ATOM 481 C CG . ARG A 1 59 ? 12.907 10.078 0.793 1.00 91.42 59 A 1 ATOM 482 C CD . ARG A 1 59 ? 12.473 11.151 -0.204 1.00 87.54 59 A 1 ATOM 483 N NE . ARG A 1 59 ? 12.041 12.384 0.485 1.00 80.34 59 A 1 ATOM 484 C CZ . ARG A 1 59 ? 11.466 13.427 -0.100 1.00 75.33 59 A 1 ATOM 485 N NH1 . ARG A 1 59 ? 11.192 13.433 -1.377 1.00 69.14 59 A 1 ATOM 486 N NH2 . ARG A 1 59 ? 11.177 14.489 0.584 1.00 67.20 59 A 1 ATOM 487 N N . CYS A 1 60 ? 10.313 6.743 3.125 1.00 96.46 60 A 1 ATOM 488 C CA . CYS A 1 60 ? 9.123 6.287 3.842 1.00 96.39 60 A 1 ATOM 489 C C . CYS A 1 60 ? 9.411 5.059 4.711 1.00 96.06 60 A 1 ATOM 490 O O . CYS A 1 60 ? 10.172 4.175 4.333 1.00 95.13 60 A 1 ATOM 491 C CB . CYS A 1 60 ? 8.001 6.010 2.836 1.00 96.01 60 A 1 ATOM 492 S SG . CYS A 1 60 ? 7.522 7.546 1.991 1.00 92.95 60 A 1 ATOM 493 N N . GLN A 1 61 ? 8.782 4.960 5.896 1.00 96.20 61 A 1 ATOM 494 C CA . GLN A 1 61 ? 8.976 3.809 6.790 1.00 95.75 61 A 1 ATOM 495 C C . GLN A 1 61 ? 8.160 2.582 6.383 1.00 95.82 61 A 1 ATOM 496 O O . GLN A 1 61 ? 8.580 1.455 6.661 1.00 94.96 61 A 1 ATOM 497 C CB . GLN A 1 61 ? 8.645 4.182 8.239 1.00 95.04 61 A 1 ATOM 498 C CG . GLN A 1 61 ? 9.535 5.297 8.795 1.00 92.13 61 A 1 ATOM 499 C CD . GLN A 1 61 ? 9.424 5.407 10.313 1.00 86.99 61 A 1 ATOM 500 O OE1 . GLN A 1 61 ? 9.267 4.421 11.013 1.00 77.19 61 A 1 ATOM 501 N NE2 . GLN A 1 61 ? 9.516 6.593 10.867 1.00 74.32 61 A 1 ATOM 502 N N . ARG A 1 62 ? 7.008 2.798 5.746 1.00 96.63 62 A 1 ATOM 503 C CA . ARG A 1 62 ? 6.096 1.745 5.278 1.00 97.03 62 A 1 ATOM 504 C C . ARG A 1 62 ? 5.672 2.014 3.844 1.00 97.38 62 A 1 ATOM 505 O O . ARG A 1 62 ? 5.609 3.169 3.429 1.00 96.80 62 A 1 ATOM 506 C CB . ARG A 1 62 ? 4.853 1.681 6.186 1.00 96.44 62 A 1 ATOM 507 C CG . ARG A 1 62 ? 5.141 1.330 7.654 1.00 94.10 62 A 1 ATOM 508 C CD . ARG A 1 62 ? 5.651 -0.104 7.819 1.00 91.90 62 A 1 ATOM 509 N NE . ARG A 1 62 ? 5.913 -0.413 9.231 1.00 90.01 62 A 1 ATOM 510 C CZ . ARG A 1 62 ? 7.048 -0.213 9.889 1.00 87.79 62 A 1 ATOM 511 N NH1 . ARG A 1 62 ? 8.114 0.255 9.303 1.00 80.82 62 A 1 ATOM 512 N NH2 . ARG A 1 62 ? 7.112 -0.475 11.161 1.00 83.91 62 A 1 ATOM 513 N N . LEU A 1 63 ? 5.333 0.954 3.128 1.00 97.54 63 A 1 ATOM 514 C CA . LEU A 1 63 ? 4.589 1.017 1.876 1.00 97.89 63 A 1 ATOM 515 C C . LEU A 1 63 ? 3.168 0.534 2.142 1.00 98.12 63 A 1 ATOM 516 O O . LEU A 1 63 ? 2.989 -0.543 2.712 1.00 98.00 63 A 1 ATOM 517 C CB . LEU A 1 63 ? 5.307 0.174 0.811 1.00 97.76 63 A 1 ATOM 518 C CG . LEU A 1 63 ? 4.540 0.052 -0.520 1.00 97.24 63 A 1 ATOM 519 C CD1 . LEU A 1 63 ? 4.388 1.394 -1.229 1.00 96.59 63 A 1 ATOM 520 C CD2 . LEU A 1 63 ? 5.282 -0.902 -1.456 1.00 96.31 63 A 1 ATOM 521 N N . ILE A 1 64 ? 2.189 1.322 1.726 1.00 98.24 64 A 1 ATOM 522 C CA . ILE A 1 64 ? 0.775 0.951 1.692 1.00 98.45 64 A 1 ATOM 523 C C . ILE A 1 64 ? 0.347 0.941 0.228 1.00 98.46 64 A 1 ATOM 524 O O . ILE A 1 64 ? 0.554 1.923 -0.474 1.00 98.27 64 A 1 ATOM 525 C CB . ILE A 1 64 ? -0.088 1.918 2.534 1.00 98.45 64 A 1 ATOM 526 C CG1 . ILE A 1 64 ? 0.391 1.966 4.004 1.00 98.17 64 A 1 ATOM 527 C CG2 . ILE A 1 64 ? -1.570 1.511 2.444 1.00 98.11 64 A 1 ATOM 528 C CD1 . ILE A 1 64 ? -0.357 2.981 4.883 1.00 97.74 64 A 1 ATOM 529 N N . VAL A 1 65 ? -0.266 -0.145 -0.218 1.00 98.44 65 A 1 ATOM 530 C CA . VAL A 1 65 ? -0.825 -0.269 -1.566 1.00 98.47 65 A 1 ATOM 531 C C . VAL A 1 65 ? -2.321 -0.511 -1.446 1.00 98.48 65 A 1 ATOM 532 O O . VAL A 1 65 ? -2.747 -1.447 -0.770 1.00 98.27 65 A 1 ATOM 533 C CB . VAL A 1 65 ? -0.133 -1.388 -2.366 1.00 98.33 65 A 1 ATOM 534 C CG1 . VAL A 1 65 ? -0.680 -1.469 -3.789 1.00 97.87 65 A 1 ATOM 535 C CG2 . VAL A 1 65 ? 1.383 -1.169 -2.455 1.00 97.93 65 A 1 ATOM 536 N N . VAL A 1 66 ? -3.123 0.317 -2.097 1.00 98.46 66 A 1 ATOM 537 C CA . VAL A 1 66 ? -4.577 0.139 -2.166 1.00 98.52 66 A 1 ATOM 538 C C . VAL A 1 66 ? -4.887 -0.789 -3.341 1.00 98.34 66 A 1 ATOM 539 O O . VAL A 1 66 ? -5.039 -0.342 -4.474 1.00 97.95 66 A 1 ATOM 540 C CB . VAL A 1 66 ? -5.306 1.494 -2.263 1.00 98.52 66 A 1 ATOM 541 C CG1 . VAL A 1 66 ? -6.822 1.300 -2.244 1.00 98.22 66 A 1 ATOM 542 C CG2 . VAL A 1 66 ? -4.942 2.406 -1.080 1.00 98.32 66 A 1 ATOM 543 N N . LEU A 1 67 ? -4.966 -2.085 -3.072 1.00 97.95 67 A 1 ATOM 544 C CA . LEU A 1 67 ? -5.229 -3.132 -4.064 1.00 97.59 67 A 1 ATOM 545 C C . LEU A 1 67 ? -6.721 -3.226 -4.403 1.00 97.35 67 A 1 ATOM 546 O O . LEU A 1 67 ? -7.388 -4.227 -4.120 1.00 96.37 67 A 1 ATOM 547 C CB . LEU A 1 67 ? -4.676 -4.483 -3.572 1.00 96.97 67 A 1 ATOM 548 C CG . LEU A 1 67 ? -3.161 -4.688 -3.679 1.00 94.89 67 A 1 ATOM 549 C CD1 . LEU A 1 67 ? -2.854 -6.105 -3.184 1.00 92.88 67 A 1 ATOM 550 C CD2 . LEU A 1 67 ? -2.626 -4.586 -5.100 1.00 93.01 67 A 1 ATOM 551 N N . SER A 1 68 ? -7.250 -2.183 -5.018 1.00 97.59 68 A 1 ATOM 552 C CA . SER A 1 68 ? -8.568 -2.239 -5.641 1.00 97.55 68 A 1 ATOM 553 C C . SER A 1 68 ? -8.548 -3.108 -6.899 1.00 97.31 68 A 1 ATOM 554 O O . SER A 1 68 ? -7.489 -3.433 -7.434 1.00 97.04 68 A 1 ATOM 555 C CB . SER A 1 68 ? -9.036 -0.831 -5.990 1.00 97.50 68 A 1 ATOM 556 O OG . SER A 1 68 ? -8.232 -0.274 -7.006 1.00 96.99 68 A 1 ATOM 557 N N . GLN A 1 69 ? -9.732 -3.436 -7.419 1.00 96.49 69 A 1 ATOM 558 C CA . GLN A 1 69 ? -9.844 -4.069 -8.732 1.00 95.93 69 A 1 ATOM 559 C C . GLN A 1 69 ? -9.159 -3.213 -9.809 1.00 96.32 69 A 1 ATOM 560 O O . GLN A 1 69 ? -8.332 -3.727 -10.552 1.00 95.76 69 A 1 ATOM 561 C CB . GLN A 1 69 ? -11.324 -4.306 -9.054 1.00 94.33 69 A 1 ATOM 562 C CG . GLN A 1 69 ? -11.467 -5.030 -10.404 1.00 80.44 69 A 1 ATOM 563 C CD . GLN A 1 69 ? -12.917 -5.195 -10.849 1.00 71.88 69 A 1 ATOM 564 O OE1 . GLN A 1 69 ? -13.866 -4.999 -10.105 1.00 65.10 69 A 1 ATOM 565 N NE2 . GLN A 1 69 ? -13.126 -5.570 -12.092 1.00 60.81 69 A 1 ATOM 566 N N . SER A 1 70 ? -9.412 -1.906 -9.831 1.00 96.59 70 A 1 ATOM 567 C CA . SER A 1 70 ? -8.804 -1.003 -10.817 1.00 96.57 70 A 1 ATOM 568 C C . SER A 1 70 ? -7.282 -0.887 -10.665 1.00 96.99 70 A 1 ATOM 569 O O . SER A 1 70 ? -6.579 -0.689 -11.647 1.00 96.56 70 A 1 ATOM 570 C CB . SER A 1 70 ? -9.411 0.393 -10.705 1.00 95.92 70 A 1 ATOM 571 O OG . SER A 1 70 ? -10.828 0.339 -10.696 1.00 85.52 70 A 1 ATOM 572 N N . TYR A 1 71 ? -6.739 -1.037 -9.452 1.00 97.18 71 A 1 ATOM 573 C CA . TYR A 1 71 ? -5.290 -1.120 -9.255 1.00 97.63 71 A 1 ATOM 574 C C . TYR A 1 71 ? -4.718 -2.385 -9.899 1.00 97.38 71 A 1 ATOM 575 O O . TYR A 1 71 ? -3.683 -2.339 -10.555 1.00 96.73 71 A 1 ATOM 576 C CB . TYR A 1 71 ? -4.964 -1.068 -7.760 1.00 97.76 71 A 1 ATOM 577 C CG . TYR A 1 71 ? -3.495 -0.836 -7.471 1.00 98.14 71 A 1 ATOM 578 C CD1 . TYR A 1 71 ? -2.557 -1.885 -7.576 1.00 97.76 71 A 1 ATOM 579 C CD2 . TYR A 1 71 ? -3.047 0.456 -7.124 1.00 97.69 71 A 1 ATOM 580 C CE1 . TYR A 1 71 ? -1.188 -1.646 -7.366 1.00 97.44 71 A 1 ATOM 581 C CE2 . TYR A 1 71 ? -1.683 0.704 -6.905 1.00 97.37 71 A 1 ATOM 582 C CZ . TYR A 1 71 ? -0.756 -0.348 -7.041 1.00 97.67 71 A 1 ATOM 583 O OH . TYR A 1 71 ? 0.582 -0.099 -6.858 1.00 97.22 71 A 1 ATOM 584 N N . LEU A 1 72 ? -5.419 -3.509 -9.737 1.00 97.14 72 A 1 ATOM 585 C CA . LEU A 1 72 ? -5.032 -4.810 -10.283 1.00 96.78 72 A 1 ATOM 586 C C . LEU A 1 72 ? -5.225 -4.920 -11.804 1.00 96.41 72 A 1 ATOM 587 O O . LEU A 1 72 ? -4.693 -5.846 -12.410 1.00 95.51 72 A 1 ATOM 588 C CB . LEU A 1 72 ? -5.821 -5.904 -9.547 1.00 96.37 72 A 1 ATOM 589 C CG . LEU A 1 72 ? -5.437 -6.069 -8.065 1.00 95.47 72 A 1 ATOM 590 C CD1 . LEU A 1 72 ? -6.392 -7.056 -7.397 1.00 94.70 72 A 1 ATOM 591 C CD2 . LEU A 1 72 ? -4.008 -6.596 -7.903 1.00 94.61 72 A 1 ATOM 592 N N . GLU A 1 73 ? -5.929 -3.982 -12.415 1.00 96.41 73 A 1 ATOM 593 C CA . GLU A 1 73 ? -6.057 -3.851 -13.871 1.00 95.80 73 A 1 ATOM 594 C C . GLU A 1 73 ? -4.838 -3.159 -14.516 1.00 95.78 73 A 1 ATOM 595 O O . GLU A 1 73 ? -4.715 -3.152 -15.737 1.00 94.65 73 A 1 ATOM 596 C CB . GLU A 1 73 ? -7.355 -3.096 -14.206 1.00 94.91 73 A 1 ATOM 597 C CG . GLU A 1 73 ? -8.607 -3.955 -13.963 1.00 91.44 73 A 1 ATOM 598 C CD . GLU A 1 73 ? -9.928 -3.161 -13.974 1.00 86.26 73 A 1 ATOM 599 O OE1 . GLU A 1 73 ? -10.974 -3.781 -13.654 1.00 80.03 73 A 1 ATOM 600 O OE2 . GLU A 1 73 ? -9.911 -1.938 -14.248 1.00 80.33 73 A 1 ATOM 601 N N . GLN A 1 74 ? -3.910 -2.603 -13.724 1.00 96.27 74 A 1 ATOM 602 C CA . GLN A 1 74 ? -2.666 -2.054 -14.265 1.00 96.05 74 A 1 ATOM 603 C C . GLN A 1 74 ? -1.864 -3.149 -14.980 1.00 96.01 74 A 1 ATOM 604 O O . GLN A 1 74 ? -1.808 -4.290 -14.533 1.00 95.36 74 A 1 ATOM 605 C CB . GLN A 1 74 ? -1.809 -1.415 -13.162 1.00 95.57 74 A 1 ATOM 606 C CG . GLN A 1 74 ? -2.479 -0.205 -12.503 1.00 94.37 74 A 1 ATOM 607 C CD . GLN A 1 74 ? -1.551 0.437 -11.470 1.00 94.92 74 A 1 ATOM 608 O OE1 . GLN A 1 74 ? -1.260 -0.087 -10.407 1.00 88.50 74 A 1 ATOM 609 N NE2 . GLN A 1 74 ? -1.023 1.603 -11.759 1.00 87.78 74 A 1 ATOM 610 N N . GLU A 1 75 ? -1.176 -2.773 -16.056 1.00 95.86 75 A 1 ATOM 611 C CA . GLU A 1 75 ? -0.462 -3.709 -16.933 1.00 95.55 75 A 1 ATOM 612 C C . GLU A 1 75 ? 0.496 -4.636 -16.169 1.00 95.63 75 A 1 ATOM 613 O O . GLU A 1 75 ? 0.484 -5.849 -16.372 1.00 94.44 75 A 1 ATOM 614 C CB . GLU A 1 75 ? 0.292 -2.890 -17.987 1.00 94.56 75 A 1 ATOM 615 C CG . GLU A 1 75 ? 0.985 -3.771 -19.037 1.00 83.38 75 A 1 ATOM 616 C CD . GLU A 1 75 ? 1.804 -2.957 -20.056 1.00 74.92 75 A 1 ATOM 617 O OE1 . GLU A 1 75 ? 2.290 -3.583 -21.026 1.00 68.52 75 A 1 ATOM 618 O OE2 . GLU A 1 75 ? 1.964 -1.731 -19.850 1.00 67.98 75 A 1 ATOM 619 N N . TRP A 1 76 ? 1.291 -4.104 -15.236 1.00 95.58 76 A 1 ATOM 620 C CA . TRP A 1 76 ? 2.219 -4.931 -14.459 1.00 95.85 76 A 1 ATOM 621 C C . TRP A 1 76 ? 1.502 -5.958 -13.576 1.00 96.29 76 A 1 ATOM 622 O O . TRP A 1 76 ? 2.024 -7.049 -13.345 1.00 95.43 76 A 1 ATOM 623 C CB . TRP A 1 76 ? 3.145 -4.039 -13.637 1.00 95.20 76 A 1 ATOM 624 C CG . TRP A 1 76 ? 2.552 -3.451 -12.390 1.00 95.74 76 A 1 ATOM 625 C CD1 . TRP A 1 76 ? 2.018 -2.218 -12.270 1.00 94.06 76 A 1 ATOM 626 C CD2 . TRP A 1 76 ? 2.447 -4.070 -11.066 1.00 96.41 76 A 1 ATOM 627 N NE1 . TRP A 1 76 ? 1.590 -2.016 -10.957 1.00 93.62 76 A 1 ATOM 628 C CE2 . TRP A 1 76 ? 1.839 -3.132 -10.190 1.00 95.71 76 A 1 ATOM 629 C CE3 . TRP A 1 76 ? 2.819 -5.321 -10.534 1.00 94.88 76 A 1 ATOM 630 C CZ2 . TRP A 1 76 ? 1.602 -3.421 -8.825 1.00 94.80 76 A 1 ATOM 631 C CZ3 . TRP A 1 76 ? 2.581 -5.612 -9.177 1.00 94.60 76 A 1 ATOM 632 C CH2 . TRP A 1 76 ? 1.979 -4.672 -8.331 1.00 94.66 76 A 1 ATOM 633 N N . CYS A 1 77 ? 0.297 -5.643 -13.107 1.00 96.23 77 A 1 ATOM 634 C CA . CYS A 1 77 ? -0.512 -6.562 -12.306 1.00 96.11 77 A 1 ATOM 635 C C . CYS A 1 77 ? -1.113 -7.681 -13.164 1.00 95.70 77 A 1 ATOM 636 O O . CYS A 1 77 ? -1.188 -8.822 -12.712 1.00 95.05 77 A 1 ATOM 637 C CB . CYS A 1 77 ? -1.636 -5.791 -11.602 1.00 96.18 77 A 1 ATOM 638 S SG . CYS A 1 77 ? -0.990 -4.607 -10.377 1.00 95.73 77 A 1 ATOM 639 N N . THR A 1 78 ? -1.540 -7.370 -14.380 1.00 95.94 78 A 1 ATOM 640 C CA . THR A 1 78 ? -2.173 -8.352 -15.275 1.00 95.19 78 A 1 ATOM 641 C C . THR A 1 78 ? -1.159 -9.260 -15.967 1.00 94.81 78 A 1 ATOM 642 O O . THR A 1 78 ? -1.477 -10.413 -16.243 1.00 93.00 78 A 1 ATOM 643 C CB . THR A 1 78 ? -3.054 -7.669 -16.328 1.00 94.47 78 A 1 ATOM 644 O OG1 . THR A 1 78 ? -2.309 -6.752 -17.091 1.00 90.82 78 A 1 ATOM 645 C CG2 . THR A 1 78 ? -4.213 -6.895 -15.695 1.00 90.18 78 A 1 ATOM 646 N N . THR A 1 79 ? 0.061 -8.780 -16.209 1.00 95.72 79 A 1 ATOM 647 C CA . THR A 1 79 ? 1.087 -9.511 -16.969 1.00 94.81 79 A 1 ATOM 648 C C . THR A 1 79 ? 2.193 -10.099 -16.095 1.00 94.59 79 A 1 ATOM 649 O O . THR A 1 79 ? 2.631 -11.222 -16.333 1.00 92.27 79 A 1 ATOM 650 C CB . THR A 1 79 ? 1.706 -8.625 -18.056 1.00 93.59 79 A 1 ATOM 651 O OG1 . THR A 1 79 ? 2.317 -7.490 -17.476 1.00 88.90 79 A 1 ATOM 652 C CG2 . THR A 1 79 ? 0.675 -8.134 -19.071 1.00 86.46 79 A 1 ATOM 653 N N . ASN A 1 80 ? 2.645 -9.383 -15.067 1.00 95.58 80 A 1 ATOM 654 C CA . ASN A 1 80 ? 3.851 -9.707 -14.297 1.00 95.56 80 A 1 ATOM 655 C C . ASN A 1 80 ? 3.674 -9.515 -12.783 1.00 96.41 80 A 1 ATOM 656 O O . ASN A 1 80 ? 4.622 -9.162 -12.074 1.00 95.30 80 A 1 ATOM 657 C CB . ASN A 1 80 ? 5.029 -8.889 -14.856 1.00 92.68 80 A 1 ATOM 658 C CG . ASN A 1 80 ? 5.439 -9.340 -16.245 1.00 83.74 80 A 1 ATOM 659 O OD1 . ASN A 1 80 ? 5.880 -10.456 -16.445 1.00 75.36 80 A 1 ATOM 660 N ND2 . ASN A 1 80 ? 5.313 -8.484 -17.233 1.00 74.02 80 A 1 ATOM 661 N N . PHE A 1 81 ? 2.480 -9.771 -12.252 1.00 96.27 81 A 1 ATOM 662 C CA . PHE A 1 81 ? 2.177 -9.523 -10.835 1.00 96.74 81 A 1 ATOM 663 C C . PHE A 1 81 ? 3.180 -10.171 -9.874 1.00 96.91 81 A 1 ATOM 664 O O . PHE A 1 81 ? 3.586 -9.550 -8.893 1.00 96.84 81 A 1 ATOM 665 C CB . PHE A 1 81 ? 0.764 -10.009 -10.508 1.00 96.58 81 A 1 ATOM 666 C CG . PHE A 1 81 ? 0.347 -9.688 -9.086 1.00 96.84 81 A 1 ATOM 667 C CD1 . PHE A 1 81 ? 0.400 -10.670 -8.079 1.00 96.33 81 A 1 ATOM 668 C CD2 . PHE A 1 81 ? -0.049 -8.380 -8.753 1.00 96.23 81 A 1 ATOM 669 C CE1 . PHE A 1 81 ? 0.054 -10.349 -6.754 1.00 95.70 81 A 1 ATOM 670 C CE2 . PHE A 1 81 ? -0.394 -8.054 -7.432 1.00 95.54 81 A 1 ATOM 671 C CZ . PHE A 1 81 ? -0.342 -9.040 -6.434 1.00 95.86 81 A 1 ATOM 672 N N . ARG A 1 82 ? 3.629 -11.393 -10.173 1.00 96.55 82 A 1 ATOM 673 C CA . ARG A 1 82 ? 4.621 -12.101 -9.354 1.00 96.48 82 A 1 ATOM 674 C C . ARG A 1 82 ? 5.925 -11.304 -9.211 1.00 96.67 82 A 1 ATOM 675 O O . ARG A 1 82 ? 6.426 -11.161 -8.100 1.00 96.46 82 A 1 ATOM 676 C CB . ARG A 1 82 ? 4.872 -13.490 -9.965 1.00 95.56 82 A 1 ATOM 677 C CG . ARG A 1 82 ? 5.855 -14.314 -9.117 1.00 88.13 82 A 1 ATOM 678 C CD . ARG A 1 82 ? 6.163 -15.665 -9.765 1.00 83.34 82 A 1 ATOM 679 N NE . ARG A 1 82 ? 4.981 -16.542 -9.802 1.00 71.99 82 A 1 ATOM 680 C CZ . ARG A 1 82 ? 4.849 -17.659 -10.495 1.00 64.12 82 A 1 ATOM 681 N NH1 . ARG A 1 82 ? 5.819 -18.131 -11.227 1.00 57.82 82 A 1 ATOM 682 N NH2 . ARG A 1 82 ? 3.726 -18.318 -10.454 1.00 55.20 82 A 1 ATOM 683 N N . GLN A 1 83 ? 6.459 -10.798 -10.323 1.00 96.80 83 A 1 ATOM 684 C CA . GLN A 1 83 ? 7.700 -10.025 -10.333 1.00 96.94 83 A 1 ATOM 685 C C . GLN A 1 83 ? 7.518 -8.695 -9.599 1.00 97.28 83 A 1 ATOM 686 O O . GLN A 1 83 ? 8.303 -8.372 -8.704 1.00 97.23 83 A 1 ATOM 687 C CB . GLN A 1 83 ? 8.149 -9.831 -11.787 1.00 96.25 83 A 1 ATOM 688 C CG . GLN A 1 83 ? 9.462 -9.037 -11.916 1.00 87.36 83 A 1 ATOM 689 C CD . GLN A 1 83 ? 9.953 -8.957 -13.365 1.00 80.32 83 A 1 ATOM 690 O OE1 . GLN A 1 83 ? 9.432 -9.613 -14.253 1.00 73.59 83 A 1 ATOM 691 N NE2 . GLN A 1 83 ? 10.960 -8.175 -13.647 1.00 68.22 83 A 1 ATOM 692 N N . GLY A 1 84 ? 6.451 -7.974 -9.897 1.00 97.62 84 A 1 ATOM 693 C CA . GLY A 1 84 ? 6.131 -6.729 -9.197 1.00 97.64 84 A 1 ATOM 694 C C . GLY A 1 84 ? 5.980 -6.927 -7.685 1.00 97.81 84 A 1 ATOM 695 O O . GLY A 1 84 ? 6.548 -6.170 -6.896 1.00 97.62 84 A 1 ATOM 696 N N . LEU A 1 85 ? 5.301 -7.989 -7.261 1.00 97.51 85 A 1 ATOM 697 C CA . LEU A 1 85 ? 5.149 -8.317 -5.842 1.00 97.49 85 A 1 ATOM 698 C C . LEU A 1 85 ? 6.502 -8.595 -5.167 1.00 97.44 85 A 1 ATOM 699 O O . LEU A 1 85 ? 6.723 -8.134 -4.046 1.00 97.31 85 A 1 ATOM 700 C CB . LEU A 1 85 ? 4.179 -9.503 -5.703 1.00 97.28 85 A 1 ATOM 701 C CG . LEU A 1 85 ? 3.912 -9.929 -4.247 1.00 96.58 85 A 1 ATOM 702 C CD1 . LEU A 1 85 ? 3.284 -8.812 -3.414 1.00 95.82 85 A 1 ATOM 703 C CD2 . LEU A 1 85 ? 2.960 -11.125 -4.231 1.00 95.64 85 A 1 ATOM 704 N N . TRP A 1 86 ? 7.414 -9.307 -5.833 1.00 97.13 86 A 1 ATOM 705 C CA . TRP A 1 86 ? 8.767 -9.527 -5.317 1.00 96.81 86 A 1 ATOM 706 C C . TRP A 1 86 ? 9.522 -8.216 -5.102 1.00 97.00 86 A 1 ATOM 707 O O . TRP A 1 86 ? 10.058 -8.011 -4.011 1.00 96.57 86 A 1 ATOM 708 C CB . TRP A 1 86 ? 9.555 -10.454 -6.246 1.00 95.80 86 A 1 ATOM 709 C CG . TRP A 1 86 ? 9.150 -11.893 -6.233 1.00 84.17 86 A 1 ATOM 710 C CD1 . TRP A 1 86 ? 8.506 -12.533 -5.230 1.00 71.15 86 A 1 ATOM 711 C CD2 . TRP A 1 86 ? 9.414 -12.909 -7.257 1.00 76.89 86 A 1 ATOM 712 N NE1 . TRP A 1 86 ? 8.357 -13.881 -5.553 1.00 63.53 86 A 1 ATOM 713 C CE2 . TRP A 1 86 ? 8.914 -14.148 -6.782 1.00 71.64 86 A 1 ATOM 714 C CE3 . TRP A 1 86 ? 10.044 -12.892 -8.523 1.00 60.93 86 A 1 ATOM 715 C CZ2 . TRP A 1 86 ? 9.044 -15.345 -7.524 1.00 62.39 86 A 1 ATOM 716 C CZ3 . TRP A 1 86 ? 10.169 -14.082 -9.261 1.00 56.19 86 A 1 ATOM 717 C CH2 . TRP A 1 86 ? 9.676 -15.291 -8.762 1.00 58.10 86 A 1 ATOM 718 N N . HIS A 1 87 ? 9.483 -7.303 -6.066 1.00 97.40 87 A 1 ATOM 719 C CA . HIS A 1 87 ? 10.092 -5.981 -5.914 1.00 97.49 87 A 1 ATOM 720 C C . HIS A 1 87 ? 9.504 -5.204 -4.730 1.00 97.50 87 A 1 ATOM 721 O O . HIS A 1 87 ? 10.244 -4.645 -3.915 1.00 97.19 87 A 1 ATOM 722 C CB . HIS A 1 87 ? 9.923 -5.183 -7.210 1.00 97.51 87 A 1 ATOM 723 C CG . HIS A 1 87 ? 10.805 -5.661 -8.326 1.00 96.83 87 A 1 ATOM 724 N ND1 . HIS A 1 87 ? 12.188 -5.758 -8.283 1.00 87.85 87 A 1 ATOM 725 C CD2 . HIS A 1 87 ? 10.399 -6.024 -9.581 1.00 88.66 87 A 1 ATOM 726 C CE1 . HIS A 1 87 ? 12.598 -6.163 -9.489 1.00 91.50 87 A 1 ATOM 727 N NE2 . HIS A 1 87 ? 11.542 -6.334 -10.298 1.00 92.38 87 A 1 ATOM 728 N N . LEU A 1 88 ? 8.188 -5.207 -4.564 1.00 97.72 88 A 1 ATOM 729 C CA . LEU A 1 88 ? 7.553 -4.512 -3.437 1.00 97.70 88 A 1 ATOM 730 C C . LEU A 1 88 ? 7.962 -5.110 -2.082 1.00 97.44 88 A 1 ATOM 731 O O . LEU A 1 88 ? 8.218 -4.363 -1.138 1.00 96.92 88 A 1 ATOM 732 C CB . LEU A 1 88 ? 6.024 -4.516 -3.592 1.00 97.74 88 A 1 ATOM 733 C CG . LEU A 1 88 ? 5.473 -3.744 -4.806 1.00 97.42 88 A 1 ATOM 734 C CD1 . LEU A 1 88 ? 3.951 -3.743 -4.746 1.00 97.14 88 A 1 ATOM 735 C CD2 . LEU A 1 88 ? 5.969 -2.298 -4.873 1.00 96.97 88 A 1 ATOM 736 N N . ILE A 1 89 ? 8.054 -6.432 -1.983 1.00 97.56 89 A 1 ATOM 737 C CA . ILE A 1 89 ? 8.499 -7.120 -0.765 1.00 97.25 89 A 1 ATOM 738 C C . ILE A 1 89 ? 9.959 -6.776 -0.450 1.00 96.62 89 A 1 ATOM 739 O O . ILE A 1 89 ? 10.281 -6.456 0.698 1.00 95.66 89 A 1 ATOM 740 C CB . ILE A 1 89 ? 8.277 -8.644 -0.896 1.00 97.28 89 A 1 ATOM 741 C CG1 . ILE A 1 89 ? 6.763 -8.958 -0.849 1.00 96.74 89 A 1 ATOM 742 C CG2 . ILE A 1 89 ? 9.006 -9.418 0.217 1.00 96.55 89 A 1 ATOM 743 C CD1 . ILE A 1 89 ? 6.411 -10.382 -1.300 1.00 95.55 89 A 1 ATOM 744 N N . GLU A 1 90 ? 10.826 -6.810 -1.451 1.00 96.82 90 A 1 ATOM 745 C CA . GLU A 1 90 ? 12.246 -6.507 -1.290 1.00 96.06 90 A 1 ATOM 746 C C . GLU A 1 90 ? 12.473 -5.059 -0.830 1.00 95.72 90 A 1 ATOM 747 O O . GLU A 1 90 ? 13.160 -4.807 0.165 1.00 94.30 90 A 1 ATOM 748 C CB . GLU A 1 90 ? 12.960 -6.804 -2.618 1.00 94.73 90 A 1 ATOM 749 C CG . GLU A 1 90 ? 14.475 -6.625 -2.485 1.00 78.47 90 A 1 ATOM 750 C CD . GLU A 1 90 ? 15.254 -6.967 -3.762 1.00 72.94 90 A 1 ATOM 751 O OE1 . GLU A 1 90 ? 16.502 -6.975 -3.658 1.00 66.93 90 A 1 ATOM 752 O OE2 . GLU A 1 90 ? 14.618 -7.211 -4.806 1.00 67.10 90 A 1 ATOM 753 N N . LEU A 1 91 ? 11.823 -4.105 -1.501 1.00 96.30 91 A 1 ATOM 754 C CA . LEU A 1 91 ? 12.021 -2.674 -1.257 1.00 95.55 91 A 1 ATOM 755 C C . LEU A 1 91 ? 11.422 -2.187 0.070 1.00 94.50 91 A 1 ATOM 756 O O . LEU A 1 91 ? 11.984 -1.307 0.727 1.00 92.35 91 A 1 ATOM 757 C CB . LEU A 1 91 ? 11.411 -1.898 -2.432 1.00 95.47 91 A 1 ATOM 758 C CG . LEU A 1 91 ? 12.147 -2.066 -3.776 1.00 94.87 91 A 1 ATOM 759 C CD1 . LEU A 1 91 ? 11.317 -1.410 -4.877 1.00 93.55 91 A 1 ATOM 760 C CD2 . LEU A 1 91 ? 13.528 -1.415 -3.751 1.00 93.27 91 A 1 ATOM 761 N N . SER A 1 92 ? 10.262 -2.720 0.471 1.00 95.04 92 A 1 ATOM 762 C CA . SER A 1 92 ? 9.526 -2.197 1.632 1.00 93.25 92 A 1 ATOM 763 C C . SER A 1 92 ? 9.679 -3.015 2.911 1.00 91.49 92 A 1 ATOM 764 O O . SER A 1 92 ? 9.356 -2.514 3.988 1.00 85.35 92 A 1 ATOM 765 C CB . SER A 1 92 ? 8.049 -2.035 1.283 1.00 90.86 92 A 1 ATOM 766 O OG . SER A 1 92 ? 7.447 -3.291 1.139 1.00 78.84 92 A 1 ATOM 767 N N . ARG A 1 93 ? 10.172 -4.246 2.838 1.00 87.26 93 A 1 ATOM 768 C CA . ARG A 1 93 ? 10.231 -5.208 3.949 1.00 86.27 93 A 1 ATOM 769 C C . ARG A 1 93 ? 8.883 -5.335 4.675 1.00 86.92 93 A 1 ATOM 770 O O . ARG A 1 93 ? 8.696 -4.813 5.775 1.00 80.17 93 A 1 ATOM 771 C CB . ARG A 1 93 ? 11.365 -4.859 4.927 1.00 80.44 93 A 1 ATOM 772 C CG . ARG A 1 93 ? 12.762 -4.907 4.295 1.00 70.43 93 A 1 ATOM 773 C CD . ARG A 1 93 ? 13.808 -4.643 5.379 1.00 67.87 93 A 1 ATOM 774 N NE . ARG A 1 93 ? 15.175 -4.746 4.844 1.00 58.90 93 A 1 ATOM 775 C CZ . ARG A 1 93 ? 16.298 -4.716 5.548 1.00 52.71 93 A 1 ATOM 776 N NH1 . ARG A 1 93 ? 16.293 -4.561 6.846 1.00 48.83 93 A 1 ATOM 777 N NH2 . ARG A 1 93 ? 17.449 -4.838 4.950 1.00 44.72 93 A 1 ATOM 778 N N . LYS A 1 94 ? 7.980 -6.084 4.072 1.00 93.21 94 A 1 ATOM 779 C CA . LYS A 1 94 ? 6.605 -6.325 4.528 1.00 94.99 94 A 1 ATOM 780 C C . LYS A 1 94 ? 5.639 -5.181 4.162 1.00 96.31 94 A 1 ATOM 781 O O . LYS A 1 94 ? 5.162 -4.468 5.045 1.00 95.61 94 A 1 ATOM 782 C CB . LYS A 1 94 ? 6.599 -6.744 6.009 1.00 93.15 94 A 1 ATOM 783 C CG . LYS A 1 94 ? 5.318 -7.475 6.403 1.00 89.53 94 A 1 ATOM 784 C CD . LYS A 1 94 ? 5.440 -8.035 7.820 1.00 87.87 94 A 1 ATOM 785 C CE . LYS A 1 94 ? 4.202 -8.893 8.095 1.00 83.40 94 A 1 ATOM 786 N NZ . LYS A 1 94 ? 4.307 -9.634 9.374 1.00 75.10 94 A 1 ATOM 787 N N . PRO A 1 95 ? 5.329 -5.019 2.862 1.00 97.46 95 A 1 ATOM 788 C CA . PRO A 1 95 ? 4.341 -4.059 2.386 1.00 97.77 95 A 1 ATOM 789 C C . PRO A 1 95 ? 2.952 -4.339 2.962 1.00 98.06 95 A 1 ATOM 790 O O . PRO A 1 95 ? 2.591 -5.485 3.257 1.00 97.77 95 A 1 ATOM 791 C CB . PRO A 1 95 ? 4.349 -4.171 0.856 1.00 97.20 95 A 1 ATOM 792 C CG . PRO A 1 95 ? 4.842 -5.592 0.597 1.00 94.86 95 A 1 ATOM 793 C CD . PRO A 1 95 ? 5.815 -5.823 1.743 1.00 97.23 95 A 1 ATOM 794 N N . ILE A 1 96 ? 2.177 -3.272 3.102 1.00 98.23 96 A 1 ATOM 795 C CA . ILE A 1 96 ? 0.799 -3.303 3.580 1.00 98.35 96 A 1 ATOM 796 C C . ILE A 1 96 ? -0.120 -3.206 2.363 1.00 98.40 96 A 1 ATOM 797 O O . ILE A 1 96 ? -0.092 -2.211 1.646 1.00 98.27 96 A 1 ATOM 798 C CB . ILE A 1 96 ? 0.544 -2.158 4.583 1.00 98.31 96 A 1 ATOM 799 C CG1 . ILE A 1 96 ? 1.507 -2.224 5.794 1.00 97.87 96 A 1 ATOM 800 C CG2 . ILE A 1 96 ? -0.919 -2.194 5.063 1.00 97.89 96 A 1 ATOM 801 C CD1 . ILE A 1 96 ? 1.588 -0.906 6.580 1.00 97.01 96 A 1 ATOM 802 N N . PHE A 1 97 ? -0.957 -4.210 2.159 1.00 98.16 97 A 1 ATOM 803 C CA . PHE A 1 97 ? -1.951 -4.237 1.096 1.00 98.16 97 A 1 ATOM 804 C C . PHE A 1 97 ? -3.344 -4.052 1.685 1.00 98.02 97 A 1 ATOM 805 O O . PHE A 1 97 ? -3.779 -4.836 2.525 1.00 97.53 97 A 1 ATOM 806 C CB . PHE A 1 97 ? -1.823 -5.543 0.320 1.00 97.99 97 A 1 ATOM 807 C CG . PHE A 1 97 ? -0.514 -5.669 -0.434 1.00 97.89 97 A 1 ATOM 808 C CD1 . PHE A 1 97 ? -0.271 -4.874 -1.566 1.00 96.81 97 A 1 ATOM 809 C CD2 . PHE A 1 97 ? 0.475 -6.575 -0.009 1.00 96.69 97 A 1 ATOM 810 C CE1 . PHE A 1 97 ? 0.935 -4.989 -2.279 1.00 95.89 97 A 1 ATOM 811 C CE2 . PHE A 1 97 ? 1.681 -6.693 -0.721 1.00 95.76 97 A 1 ATOM 812 C CZ . PHE A 1 97 ? 1.906 -5.899 -1.862 1.00 96.34 97 A 1 ATOM 813 N N . ILE A 1 98 ? -4.042 -3.020 1.231 1.00 98.20 98 A 1 ATOM 814 C CA . ILE A 1 98 ? -5.449 -2.804 1.564 1.00 98.29 98 A 1 ATOM 815 C C . ILE A 1 98 ? -6.290 -3.376 0.429 1.00 98.08 98 A 1 ATOM 816 O O . ILE A 1 98 ? -6.129 -2.974 -0.720 1.00 97.79 98 A 1 ATOM 817 C CB . ILE A 1 98 ? -5.748 -1.317 1.835 1.00 98.43 98 A 1 ATOM 818 C CG1 . ILE A 1 98 ? -4.916 -0.815 3.040 1.00 98.19 98 A 1 ATOM 819 C CG2 . ILE A 1 98 ? -7.255 -1.119 2.081 1.00 98.30 98 A 1 ATOM 820 C CD1 . ILE A 1 98 ? -5.020 0.696 3.292 1.00 97.88 98 A 1 ATOM 821 N N . ILE A 1 99 ? -7.201 -4.281 0.756 1.00 97.42 99 A 1 ATOM 822 C CA . ILE A 1 99 ? -8.163 -4.857 -0.187 1.00 97.21 99 A 1 ATOM 823 C C . ILE A 1 99 ? -9.581 -4.461 0.215 1.00 97.52 99 A 1 ATOM 824 O O . ILE A 1 99 ? -9.894 -4.343 1.401 1.00 97.24 99 A 1 ATOM 825 C CB . ILE A 1 99 ? -7.992 -6.390 -0.319 1.00 96.04 99 A 1 ATOM 826 C CG1 . ILE A 1 99 ? -8.189 -7.123 1.025 1.00 86.26 99 A 1 ATOM 827 C CG2 . ILE A 1 99 ? -6.626 -6.713 -0.945 1.00 81.83 99 A 1 ATOM 828 C CD1 . ILE A 1 99 ? -8.182 -8.655 0.910 1.00 76.74 99 A 1 ATOM 829 N N . PHE A 1 100 ? -10.464 -4.277 -0.768 1.00 97.37 100 A 1 ATOM 830 C CA . PHE A 1 100 ? -11.877 -4.015 -0.508 1.00 97.37 100 A 1 ATOM 831 C C . PHE A 1 100 ? -12.653 -5.328 -0.438 1.00 96.80 100 A 1 ATOM 832 O O . PHE A 1 100 ? -12.639 -6.111 -1.382 1.00 95.80 100 A 1 ATOM 833 C CB . PHE A 1 100 ? -12.439 -3.072 -1.571 1.00 97.35 100 A 1 ATOM 834 C CG . PHE A 1 100 ? -11.812 -1.695 -1.549 1.00 97.66 100 A 1 ATOM 835 C CD1 . PHE A 1 100 ? -12.100 -0.805 -0.497 1.00 96.83 100 A 1 ATOM 836 C CD2 . PHE A 1 100 ? -10.932 -1.297 -2.567 1.00 96.81 100 A 1 ATOM 837 C CE1 . PHE A 1 100 ? -11.518 0.473 -0.469 1.00 96.45 100 A 1 ATOM 838 C CE2 . PHE A 1 100 ? -10.348 -0.019 -2.544 1.00 96.47 100 A 1 ATOM 839 C CZ . PHE A 1 100 ? -10.643 0.867 -1.493 1.00 96.79 100 A 1 ATOM 840 N N . GLN A 1 101 ? -13.382 -5.549 0.646 1.00 96.37 101 A 1 ATOM 841 C CA . GLN A 1 101 ? -14.183 -6.766 0.835 1.00 95.85 101 A 1 ATOM 842 C C . GLN A 1 101 ? -15.205 -6.967 -0.295 1.00 95.23 101 A 1 ATOM 843 O O . GLN A 1 101 ? -15.427 -8.094 -0.735 1.00 94.23 101 A 1 ATOM 844 C CB . GLN A 1 101 ? -14.882 -6.680 2.198 1.00 95.14 101 A 1 ATOM 845 C CG . GLN A 1 101 ? -15.620 -7.980 2.554 1.00 88.48 101 A 1 ATOM 846 C CD . GLN A 1 101 ? -16.343 -7.899 3.901 1.00 84.21 101 A 1 ATOM 847 O OE1 . GLN A 1 101 ? -16.440 -6.868 4.542 1.00 76.39 101 A 1 ATOM 848 N NE2 . GLN A 1 101 ? -16.897 -8.996 4.367 1.00 73.63 101 A 1 ATOM 849 N N . SER A 1 102 ? -15.794 -5.877 -0.796 1.00 95.22 102 A 1 ATOM 850 C CA . SER A 1 102 ? -16.750 -5.901 -1.911 1.00 94.52 102 A 1 ATOM 851 C C . SER A 1 102 ? -16.134 -6.365 -3.233 1.00 94.43 102 A 1 ATOM 852 O O . SER A 1 102 ? -16.851 -6.881 -4.082 1.00 92.82 102 A 1 ATOM 853 C CB . SER A 1 102 ? -17.353 -4.504 -2.104 1.00 93.86 102 A 1 ATOM 854 O OG . SER A 1 102 ? -16.335 -3.533 -2.261 1.00 90.27 102 A 1 ATOM 855 N N . GLN A 1 103 ? -14.823 -6.212 -3.392 1.00 94.31 103 A 1 ATOM 856 C CA . GLN A 1 103 ? -14.080 -6.551 -4.612 1.00 93.51 103 A 1 ATOM 857 C C . GLN A 1 103 ? -13.281 -7.852 -4.474 1.00 93.01 103 A 1 ATOM 858 O O . GLN A 1 103 ? -12.753 -8.357 -5.456 1.00 91.00 103 A 1 ATOM 859 C CB . GLN A 1 103 ? -13.153 -5.384 -4.976 1.00 92.16 103 A 1 ATOM 860 C CG . GLN A 1 103 ? -13.912 -4.080 -5.268 1.00 90.86 103 A 1 ATOM 861 C CD . GLN A 1 103 ? -12.973 -2.912 -5.571 1.00 91.79 103 A 1 ATOM 862 O OE1 . GLN A 1 103 ? -11.762 -3.016 -5.518 1.00 87.88 103 A 1 ATOM 863 N NE2 . GLN A 1 103 ? -13.503 -1.748 -5.880 1.00 88.02 103 A 1 ATOM 864 N N . GLN A 1 104 ? -13.205 -8.428 -3.281 1.00 90.70 104 A 1 ATOM 865 C CA . GLN A 1 104 ? -12.343 -9.584 -3.005 1.00 89.09 104 A 1 ATOM 866 C C . GLN A 1 104 ? -12.625 -10.785 -3.923 1.00 89.27 104 A 1 ATOM 867 O O . GLN A 1 104 ? -11.698 -11.490 -4.320 1.00 87.48 104 A 1 ATOM 868 C CB . GLN A 1 104 ? -12.504 -9.961 -1.530 1.00 85.65 104 A 1 ATOM 869 C CG . GLN A 1 104 ? -11.489 -11.026 -1.091 1.00 77.35 104 A 1 ATOM 870 C CD . GLN A 1 104 ? -11.571 -11.348 0.401 1.00 74.29 104 A 1 ATOM 871 O OE1 . GLN A 1 104 ? -12.423 -10.885 1.135 1.00 67.84 104 A 1 ATOM 872 N NE2 . GLN A 1 104 ? -10.676 -12.169 0.903 1.00 64.55 104 A 1 ATOM 873 N N . LYS A 1 105 ? -13.887 -11.011 -4.295 1.00 91.18 105 A 1 ATOM 874 C CA . LYS A 1 105 ? -14.289 -12.093 -5.213 1.00 91.47 105 A 1 ATOM 875 C C . LYS A 1 105 ? -13.914 -11.826 -6.677 1.00 92.12 105 A 1 ATOM 876 O O . LYS A 1 105 ? -13.959 -12.750 -7.476 1.00 89.89 105 A 1 ATOM 877 C CB . LYS A 1 105 ? -15.801 -12.342 -5.108 1.00 90.17 105 A 1 ATOM 878 C CG . LYS A 1 105 ? -16.224 -12.898 -3.741 1.00 81.98 105 A 1 ATOM 879 C CD . LYS A 1 105 ? -17.723 -13.225 -3.765 1.00 75.13 105 A 1 ATOM 880 C CE . LYS A 1 105 ? -18.177 -13.800 -2.423 1.00 64.88 105 A 1 ATOM 881 N NZ . LYS A 1 105 ? -19.626 -14.138 -2.439 1.00 55.37 105 A 1 ATOM 882 N N . GLN A 1 106 ? -13.595 -10.585 -7.026 1.00 90.79 106 A 1 ATOM 883 C CA . GLN A 1 106 ? -13.221 -10.168 -8.382 1.00 90.90 106 A 1 ATOM 884 C C . GLN A 1 106 ? -11.707 -10.267 -8.611 1.00 91.88 106 A 1 ATOM 885 O O . GLN A 1 106 ? -11.255 -10.217 -9.748 1.00 90.25 106 A 1 ATOM 886 C CB . GLN A 1 106 ? -13.715 -8.731 -8.626 1.00 88.88 106 A 1 ATOM 887 C CG . GLN A 1 106 ? -15.241 -8.585 -8.524 1.00 81.08 106 A 1 ATOM 888 C CD . GLN A 1 106 ? -15.703 -7.125 -8.489 1.00 74.43 106 A 1 ATOM 889 O OE1 . GLN A 1 106 ? -14.958 -6.206 -8.226 1.00 66.40 106 A 1 ATOM 890 N NE2 . GLN A 1 106 ? -16.971 -6.862 -8.713 1.00 63.82 106 A 1 ATOM 891 N N . ILE A 1 107 ? -10.918 -10.425 -7.549 1.00 90.73 107 A 1 ATOM 892 C CA . ILE A 1 107 ? -9.475 -10.656 -7.651 1.00 90.87 107 A 1 ATOM 893 C C . ILE A 1 107 ? -9.252 -12.012 -8.327 1.00 91.25 107 A 1 ATOM 894 O O . ILE A 1 107 ? -9.818 -13.023 -7.902 1.00 90.52 107 A 1 ATOM 895 C CB . ILE A 1 107 ? -8.790 -10.571 -6.272 1.00 90.21 107 A 1 ATOM 896 C CG1 . ILE A 1 107 ? -9.090 -9.215 -5.590 1.00 87.51 107 A 1 ATOM 897 C CG2 . ILE A 1 107 ? -7.270 -10.773 -6.427 1.00 87.82 107 A 1 ATOM 898 C CD1 . ILE A 1 107 ? -8.472 -9.049 -4.197 1.00 84.48 107 A 1 ATOM 899 N N . SER A 1 108 ? -8.401 -12.041 -9.353 1.00 92.74 108 A 1 ATOM 900 C CA . SER A 1 108 ? -8.099 -13.269 -10.085 1.00 92.56 108 A 1 ATOM 901 C C . SER A 1 108 ? -7.539 -14.352 -9.153 1.00 93.24 108 A 1 ATOM 902 O O . SER A 1 108 ? -6.940 -14.076 -8.105 1.00 92.74 108 A 1 ATOM 903 C CB . SER A 1 108 ? -7.154 -12.998 -11.267 1.00 90.90 108 A 1 ATOM 904 O OG . SER A 1 108 ? -5.830 -12.784 -10.821 1.00 86.84 108 A 1 ATOM 905 N N . GLN A 1 109 ? -7.742 -15.616 -9.534 1.00 92.99 109 A 1 ATOM 906 C CA . GLN A 1 109 ? -7.216 -16.739 -8.753 1.00 93.30 109 A 1 ATOM 907 C C . GLN A 1 109 ? -5.689 -16.698 -8.674 1.00 94.08 109 A 1 ATOM 908 O O . GLN A 1 109 ? -5.135 -16.922 -7.597 1.00 93.58 109 A 1 ATOM 909 C CB . GLN A 1 109 ? -7.689 -18.065 -9.352 1.00 92.37 109 A 1 ATOM 910 C CG . GLN A 1 109 ? -9.203 -18.273 -9.163 1.00 81.04 109 A 1 ATOM 911 C CD . GLN A 1 109 ? -9.655 -19.670 -9.602 1.00 73.35 109 A 1 ATOM 912 O OE1 . GLN A 1 109 ? -8.907 -20.477 -10.119 1.00 66.43 109 A 1 ATOM 913 N NE2 . GLN A 1 109 ? -10.907 -20.019 -9.393 1.00 63.06 109 A 1 ATOM 914 N N . ASP A 1 110 ? -5.025 -16.328 -9.766 1.00 93.86 110 A 1 ATOM 915 C CA . ASP A 1 110 ? -3.565 -16.242 -9.829 1.00 93.83 110 A 1 ATOM 916 C C . ASP A 1 110 ? -3.017 -15.184 -8.867 1.00 94.88 110 A 1 ATOM 917 O O . ASP A 1 110 ? -2.155 -15.482 -8.036 1.00 94.41 110 A 1 ATOM 918 C CB . ASP A 1 110 ? -3.124 -15.932 -11.267 1.00 92.22 110 A 1 ATOM 919 C CG . ASP A 1 110 ? -3.452 -17.055 -12.252 1.00 78.03 110 A 1 ATOM 920 O OD1 . ASP A 1 110 ? -3.592 -18.210 -11.796 1.00 70.84 110 A 1 ATOM 921 O OD2 . ASP A 1 110 ? -3.556 -16.728 -13.451 1.00 69.36 110 A 1 ATOM 922 N N . ILE A 1 111 ? -3.566 -13.969 -8.886 1.00 94.70 111 A 1 ATOM 923 C CA . ILE A 1 111 ? -3.173 -12.900 -7.958 1.00 95.18 111 A 1 ATOM 924 C C . ILE A 1 111 ? -3.453 -13.316 -6.510 1.00 95.47 111 A 1 ATOM 925 O O . ILE A 1 111 ? -2.593 -13.194 -5.634 1.00 95.36 111 A 1 ATOM 926 C CB . ILE A 1 111 ? -3.877 -11.574 -8.327 1.00 95.18 111 A 1 ATOM 927 C CG1 . ILE A 1 111 ? -3.307 -11.045 -9.661 1.00 94.11 111 A 1 ATOM 928 C CG2 . ILE A 1 111 ? -3.713 -10.534 -7.202 1.00 94.26 111 A 1 ATOM 929 C CD1 . ILE A 1 111 ? -4.012 -9.805 -10.216 1.00 90.76 111 A 1 ATOM 930 N N . SER A 1 112 ? -4.626 -13.889 -6.256 1.00 94.55 112 A 1 ATOM 931 C CA . SER A 1 112 ? -4.987 -14.392 -4.928 1.00 93.92 112 A 1 ATOM 932 C C . SER A 1 112 ? -4.044 -15.498 -4.436 1.00 94.50 112 A 1 ATOM 933 O O . SER A 1 112 ? -3.797 -15.620 -3.235 1.00 94.29 112 A 1 ATOM 934 C CB . SER A 1 112 ? -6.410 -14.952 -4.945 1.00 92.35 112 A 1 ATOM 935 O OG . SER A 1 112 ? -7.352 -13.946 -5.239 1.00 79.14 112 A 1 ATOM 936 N N . GLN A 1 113 ? -3.535 -16.323 -5.342 1.00 94.75 113 A 1 ATOM 937 C CA . GLN A 1 113 ? -2.551 -17.349 -5.030 1.00 94.94 113 A 1 ATOM 938 C C . GLN A 1 113 ? -1.188 -16.731 -4.721 1.00 95.34 113 A 1 ATOM 939 O O . GLN A 1 113 ? -0.592 -17.099 -3.709 1.00 95.30 113 A 1 ATOM 940 C CB . GLN A 1 113 ? -2.493 -18.369 -6.168 1.00 94.62 113 A 1 ATOM 941 C CG . GLN A 1 113 ? -1.548 -19.540 -5.838 1.00 81.92 113 A 1 ATOM 942 C CD . GLN A 1 113 ? -1.552 -20.623 -6.924 1.00 76.11 113 A 1 ATOM 943 O OE1 . GLN A 1 113 ? -2.266 -20.564 -7.898 1.00 68.82 113 A 1 ATOM 944 N NE2 . GLN A 1 113 ? -0.758 -21.658 -6.780 1.00 64.45 113 A 1 ATOM 945 N N . GLN A 1 114 ? -0.720 -15.760 -5.512 1.00 95.52 114 A 1 ATOM 946 C CA . GLN A 1 114 ? 0.547 -15.060 -5.251 1.00 95.59 114 A 1 ATOM 947 C C . GLN A 1 114 ? 0.529 -14.358 -3.884 1.00 95.75 114 A 1 ATOM 948 O O . GLN A 1 114 ? 1.452 -14.522 -3.086 1.00 95.24 114 A 1 ATOM 949 C CB . GLN A 1 114 ? 0.858 -14.035 -6.359 1.00 95.43 114 A 1 ATOM 950 C CG . GLN A 1 114 ? 1.104 -14.620 -7.762 1.00 91.21 114 A 1 ATOM 951 C CD . GLN A 1 114 ? 2.148 -15.734 -7.772 1.00 86.61 114 A 1 ATOM 952 O OE1 . GLN A 1 114 ? 3.298 -15.558 -7.430 1.00 76.32 114 A 1 ATOM 953 N NE2 . GLN A 1 114 ? 1.759 -16.931 -8.160 1.00 73.63 114 A 1 ATOM 954 N N . LEU A 1 115 ? -0.545 -13.647 -3.569 1.00 95.91 115 A 1 ATOM 955 C CA . LEU A 1 115 ? -0.702 -12.987 -2.269 1.00 95.54 115 A 1 ATOM 956 C C . LEU A 1 115 ? -0.680 -14.000 -1.115 1.00 95.40 115 A 1 ATOM 957 O O . LEU A 1 115 ? -0.007 -13.771 -0.111 1.00 94.92 115 A 1 ATOM 958 C CB . LEU A 1 115 ? -2.010 -12.180 -2.255 1.00 95.64 115 A 1 ATOM 959 C CG . LEU A 1 115 ? -2.023 -10.944 -3.173 1.00 95.21 115 A 1 ATOM 960 C CD1 . LEU A 1 115 ? -3.433 -10.357 -3.206 1.00 94.37 115 A 1 ATOM 961 C CD2 . LEU A 1 115 ? -1.058 -9.859 -2.703 1.00 94.17 115 A 1 ATOM 962 N N . ARG A 1 116 ? -1.355 -15.149 -1.258 1.00 94.83 116 A 1 ATOM 963 C CA . ARG A 1 116 ? -1.338 -16.211 -0.236 1.00 94.21 116 A 1 ATOM 964 C C . ARG A 1 116 ? 0.046 -16.838 -0.064 1.00 94.46 116 A 1 ATOM 965 O O . ARG A 1 116 ? 0.451 -17.069 1.068 1.00 93.83 116 A 1 ATOM 966 C CB . ARG A 1 116 ? -2.379 -17.286 -0.565 1.00 92.99 116 A 1 ATOM 967 C CG . ARG A 1 116 ? -3.791 -16.831 -0.163 1.00 80.77 116 A 1 ATOM 968 C CD . ARG A 1 116 ? -4.835 -17.911 -0.442 1.00 78.43 116 A 1 ATOM 969 N NE . ARG A 1 116 ? -5.080 -18.078 -1.884 1.00 68.13 116 A 1 ATOM 970 C CZ . ARG A 1 116 ? -5.996 -18.862 -2.441 1.00 60.86 116 A 1 ATOM 971 N NH1 . ARG A 1 116 ? -6.781 -19.615 -1.716 1.00 55.57 116 A 1 ATOM 972 N NH2 . ARG A 1 116 ? -6.143 -18.894 -3.739 1.00 53.80 116 A 1 ATOM 973 N N . GLN A 1 117 ? 0.759 -17.083 -1.152 1.00 95.06 117 A 1 ATOM 974 C CA . GLN A 1 117 ? 2.112 -17.645 -1.101 1.00 95.01 117 A 1 ATOM 975 C C . GLN A 1 117 ? 3.088 -16.734 -0.348 1.00 95.09 117 A 1 ATOM 976 O O . GLN A 1 117 ? 3.960 -17.220 0.371 1.00 94.12 117 A 1 ATOM 977 C CB . GLN A 1 117 ? 2.624 -17.885 -2.524 1.00 94.19 117 A 1 ATOM 978 C CG . GLN A 1 117 ? 1.990 -19.132 -3.165 1.00 83.09 117 A 1 ATOM 979 C CD . GLN A 1 117 ? 2.397 -19.312 -4.631 1.00 79.74 117 A 1 ATOM 980 O OE1 . GLN A 1 117 ? 3.001 -18.461 -5.259 1.00 73.23 117 A 1 ATOM 981 N NE2 . GLN A 1 117 ? 2.073 -20.436 -5.231 1.00 69.86 117 A 1 ATOM 982 N N . HIS A 1 118 ? 2.910 -15.420 -0.459 1.00 95.66 118 A 1 ATOM 983 C CA . HIS A 1 118 ? 3.758 -14.427 0.194 1.00 95.48 118 A 1 ATOM 984 C C . HIS A 1 118 ? 3.159 -13.851 1.485 1.00 95.78 118 A 1 ATOM 985 O O . HIS A 1 118 ? 3.687 -12.875 2.022 1.00 94.39 118 A 1 ATOM 986 C CB . HIS A 1 118 ? 4.149 -13.361 -0.827 1.00 94.74 118 A 1 ATOM 987 C CG . HIS A 1 118 ? 5.055 -13.924 -1.885 1.00 92.99 118 A 1 ATOM 988 N ND1 . HIS A 1 118 ? 6.357 -14.342 -1.688 1.00 81.56 118 A 1 ATOM 989 C CD2 . HIS A 1 118 ? 4.742 -14.194 -3.194 1.00 81.63 118 A 1 ATOM 990 C CE1 . HIS A 1 118 ? 6.811 -14.842 -2.847 1.00 83.09 118 A 1 ATOM 991 N NE2 . HIS A 1 118 ? 5.861 -14.773 -3.788 1.00 85.26 118 A 1 ATOM 992 N N . GLN A 1 119 ? 2.105 -14.454 2.029 1.00 94.17 119 A 1 ATOM 993 C CA . GLN A 1 119 ? 1.425 -13.963 3.235 1.00 93.17 119 A 1 ATOM 994 C C . GLN A 1 119 ? 2.371 -13.674 4.426 1.00 94.03 119 A 1 ATOM 995 O O . GLN A 1 119 ? 2.178 -12.650 5.094 1.00 93.05 119 A 1 ATOM 996 C CB . GLN A 1 119 ? 0.305 -14.945 3.601 1.00 90.42 119 A 1 ATOM 997 C CG . GLN A 1 119 ? -0.612 -14.399 4.702 1.00 76.92 119 A 1 ATOM 998 C CD . GLN A 1 119 ? -1.748 -15.357 5.064 1.00 70.74 119 A 1 ATOM 999 O OE1 . GLN A 1 119 ? -1.855 -16.473 4.591 1.00 63.46 119 A 1 ATOM 1000 N NE2 . GLN A 1 119 ? -2.644 -14.945 5.931 1.00 60.02 119 A 1 ATOM 1001 N N . PRO A 1 120 ? 3.426 -14.463 4.704 1.00 94.47 120 A 1 ATOM 1002 C CA . PRO A 1 120 ? 4.377 -14.144 5.777 1.00 94.71 120 A 1 ATOM 1003 C C . PRO A 1 120 ? 5.168 -12.847 5.545 1.00 95.28 120 A 1 ATOM 1004 O O . PRO A 1 120 ? 5.569 -12.172 6.500 1.00 93.22 120 A 1 ATOM 1005 C CB . PRO A 1 120 ? 5.316 -15.353 5.851 1.00 93.13 120 A 1 ATOM 1006 C CG . PRO A 1 120 ? 4.515 -16.487 5.210 1.00 89.88 120 A 1 ATOM 1007 C CD . PRO A 1 120 ? 3.724 -15.764 4.129 1.00 92.90 120 A 1 ATOM 1008 N N . SER A 1 121 ? 5.370 -12.483 4.276 1.00 96.68 121 A 1 ATOM 1009 C CA . SER A 1 121 ? 6.183 -11.344 3.836 1.00 97.04 121 A 1 ATOM 1010 C C . SER A 1 121 ? 5.373 -10.076 3.566 1.00 97.41 121 A 1 ATOM 1011 O O . SER A 1 121 ? 5.952 -9.035 3.249 1.00 96.56 121 A 1 ATOM 1012 C CB . SER A 1 121 ? 6.980 -11.725 2.582 1.00 96.07 121 A 1 ATOM 1013 O OG . SER A 1 121 ? 7.783 -12.859 2.846 1.00 89.23 121 A 1 ATOM 1014 N N . ILE A 1 122 ? 4.050 -10.139 3.705 1.00 97.82 122 A 1 ATOM 1015 C CA . ILE A 1 122 ? 3.146 -9.005 3.476 1.00 97.85 122 A 1 ATOM 1016 C C . ILE A 1 122 ? 2.206 -8.799 4.664 1.00 97.70 122 A 1 ATOM 1017 O O . ILE A 1 122 ? 2.115 -9.624 5.574 1.00 97.04 122 A 1 ATOM 1018 C CB . ILE A 1 122 ? 2.396 -9.150 2.127 1.00 97.59 122 A 1 ATOM 1019 C CG1 . ILE A 1 122 ? 1.381 -10.311 2.154 1.00 96.52 122 A 1 ATOM 1020 C CG2 . ILE A 1 122 ? 3.406 -9.303 0.973 1.00 95.63 122 A 1 ATOM 1021 C CD1 . ILE A 1 122 ? 0.593 -10.493 0.850 1.00 95.29 122 A 1 ATOM 1022 N N . THR A 1 123 ? 1.510 -7.678 4.695 1.00 97.58 123 A 1 ATOM 1023 C CA . THR A 1 123 ? 0.378 -7.458 5.597 1.00 97.57 123 A 1 ATOM 1024 C C . THR A 1 123 ? -0.840 -7.152 4.747 1.00 97.74 123 A 1 ATOM 1025 O O . THR A 1 123 ? -0.829 -6.172 4.017 1.00 97.41 123 A 1 ATOM 1026 C CB . THR A 1 123 ? 0.665 -6.323 6.589 1.00 97.13 123 A 1 ATOM 1027 O OG1 . THR A 1 123 ? 1.796 -6.658 7.373 1.00 94.75 123 A 1 ATOM 1028 C CG2 . THR A 1 123 ? -0.491 -6.088 7.556 1.00 95.01 123 A 1 ATOM 1029 N N . MET A 1 124 ? -1.883 -7.968 4.828 1.00 96.81 124 A 1 ATOM 1030 C CA . MET A 1 124 ? -3.149 -7.705 4.141 1.00 96.50 124 A 1 ATOM 1031 C C . MET A 1 124 ? -4.184 -7.238 5.154 1.00 96.77 124 A 1 ATOM 1032 O O . MET A 1 124 ? -4.362 -7.880 6.188 1.00 96.16 124 A 1 ATOM 1033 C CB . MET A 1 124 ? -3.640 -8.946 3.392 1.00 95.22 124 A 1 ATOM 1034 C CG . MET A 1 124 ? -2.687 -9.344 2.260 1.00 86.52 124 A 1 ATOM 1035 S SD . MET A 1 124 ? -3.301 -10.650 1.157 1.00 80.10 124 A 1 ATOM 1036 C CE . MET A 1 124 ? -3.486 -12.029 2.316 1.00 68.89 124 A 1 ATOM 1037 N N . ILE A 1 125 ? -4.865 -6.132 4.846 1.00 97.29 125 A 1 ATOM 1038 C CA . ILE A 1 125 ? -5.931 -5.585 5.686 1.00 97.51 125 A 1 ATOM 1039 C C . ILE A 1 125 ? -7.160 -5.366 4.809 1.00 97.47 125 A 1 ATOM 1040 O O . ILE A 1 125 ? -7.072 -4.764 3.743 1.00 97.27 125 A 1 ATOM 1041 C CB . ILE A 1 125 ? -5.499 -4.288 6.407 1.00 97.62 125 A 1 ATOM 1042 C CG1 . ILE A 1 125 ? -4.116 -4.436 7.088 1.00 95.69 125 A 1 ATOM 1043 C CG2 . ILE A 1 125 ? -6.571 -3.920 7.452 1.00 94.34 125 A 1 ATOM 1044 C CD1 . ILE A 1 125 ? -3.631 -3.173 7.808 1.00 94.94 125 A 1 ATOM 1045 N N . THR A 1 126 ? -8.312 -5.847 5.253 1.00 97.21 126 A 1 ATOM 1046 C CA . THR A 1 126 ? -9.553 -5.755 4.480 1.00 97.33 126 A 1 ATOM 1047 C C . THR A 1 126 ? -10.390 -4.566 4.932 1.00 97.79 126 A 1 ATOM 1048 O O . THR A 1 126 ? -10.766 -4.459 6.102 1.00 97.73 126 A 1 ATOM 1049 C CB . THR A 1 126 ? -10.356 -7.059 4.557 1.00 96.38 126 A 1 ATOM 1050 O OG1 . THR A 1 126 ? -9.547 -8.143 4.158 1.00 91.99 126 A 1 ATOM 1051 C CG2 . THR A 1 126 ? -11.565 -7.045 3.621 1.00 91.98 126 A 1 ATOM 1052 N N . TRP A 1 127 ? -10.724 -3.682 3.989 1.00 97.80 127 A 1 ATOM 1053 C CA . TRP A 1 127 ? -11.713 -2.627 4.170 1.00 97.98 127 A 1 ATOM 1054 C C . TRP A 1 127 ? -13.106 -3.153 3.825 1.00 97.82 127 A 1 ATOM 1055 O O . TRP A 1 127 ? -13.387 -3.523 2.685 1.00 97.32 127 A 1 ATOM 1056 C CB . TRP A 1 127 ? -11.351 -1.408 3.322 1.00 98.03 127 A 1 ATOM 1057 C CG . TRP A 1 127 ? -12.323 -0.279 3.482 1.00 98.14 127 A 1 ATOM 1058 C CD1 . TRP A 1 127 ? -13.397 -0.039 2.697 1.00 97.63 127 A 1 ATOM 1059 C CD2 . TRP A 1 127 ? -12.347 0.736 4.532 1.00 98.03 127 A 1 ATOM 1060 N NE1 . TRP A 1 127 ? -14.089 1.070 3.181 1.00 97.36 127 A 1 ATOM 1061 C CE2 . TRP A 1 127 ? -13.475 1.572 4.309 1.00 97.73 127 A 1 ATOM 1062 C CE3 . TRP A 1 127 ? -11.526 1.022 5.640 1.00 97.63 127 A 1 ATOM 1063 C CZ2 . TRP A 1 127 ? -13.786 2.653 5.166 1.00 97.30 127 A 1 ATOM 1064 C CZ3 . TRP A 1 127 ? -11.835 2.100 6.487 1.00 97.13 127 A 1 ATOM 1065 C CH2 . TRP A 1 127 ? -12.957 2.903 6.254 1.00 97.07 127 A 1 ATOM 1066 N N . GLY A 1 128 ? -13.999 -3.172 4.795 1.00 96.98 128 A 1 ATOM 1067 C CA . GLY A 1 128 ? -15.374 -3.634 4.648 1.00 96.54 128 A 1 ATOM 1068 C C . GLY A 1 128 ? -16.402 -2.587 5.072 1.00 97.12 128 A 1 ATOM 1069 O O . GLY A 1 128 ? -16.056 -1.500 5.536 1.00 96.18 128 A 1 ATOM 1070 N N . ALA A 1 129 ? -17.681 -2.934 4.966 1.00 93.92 129 A 1 ATOM 1071 C CA . ALA A 1 129 ? -18.800 -2.030 5.257 1.00 92.77 129 A 1 ATOM 1072 C C . ALA A 1 129 ? -18.769 -1.424 6.674 1.00 92.73 129 A 1 ATOM 1073 O O . ALA A 1 129 ? -19.192 -0.293 6.879 1.00 88.86 129 A 1 ATOM 1074 C CB . ALA A 1 129 ? -20.099 -2.814 5.029 1.00 89.98 129 A 1 ATOM 1075 N N . HIS A 1 130 ? -18.221 -2.157 7.641 1.00 93.97 130 A 1 ATOM 1076 C CA . HIS A 1 130 ? -18.146 -1.707 9.039 1.00 94.58 130 A 1 ATOM 1077 C C . HIS A 1 130 ? -16.784 -1.109 9.428 1.00 95.89 130 A 1 ATOM 1078 O O . HIS A 1 130 ? -16.567 -0.765 10.592 1.00 94.30 130 A 1 ATOM 1079 C CB . HIS A 1 130 ? -18.560 -2.862 9.954 1.00 91.90 130 A 1 ATOM 1080 C CG . HIS A 1 130 ? -19.934 -3.386 9.628 1.00 86.05 130 A 1 ATOM 1081 N ND1 . HIS A 1 130 ? -21.109 -2.662 9.665 1.00 73.24 130 A 1 ATOM 1082 C CD2 . HIS A 1 130 ? -20.256 -4.638 9.173 1.00 72.74 130 A 1 ATOM 1083 C CE1 . HIS A 1 130 ? -22.104 -3.458 9.251 1.00 71.29 130 A 1 ATOM 1084 N NE2 . HIS A 1 130 ? -21.626 -4.669 8.943 1.00 72.28 130 A 1 ATOM 1085 N N . SER A 1 131 ? -15.868 -0.969 8.472 1.00 96.98 131 A 1 ATOM 1086 C CA . SER A 1 131 ? -14.503 -0.512 8.762 1.00 97.48 131 A 1 ATOM 1087 C C . SER A 1 131 ? -14.401 0.990 9.033 1.00 97.36 131 A 1 ATOM 1088 O O . SER A 1 131 ? -13.418 1.424 9.618 1.00 96.52 131 A 1 ATOM 1089 C CB . SER A 1 131 ? -13.555 -0.898 7.625 1.00 97.36 131 A 1 ATOM 1090 O OG . SER A 1 131 ? -13.532 -2.306 7.479 1.00 96.56 131 A 1 ATOM 1091 N N . MET A 1 132 ? -15.409 1.772 8.656 1.00 96.53 132 A 1 ATOM 1092 C CA . MET A 1 132 ? -15.369 3.237 8.782 1.00 95.48 132 A 1 ATOM 1093 C C . MET A 1 132 ? -15.285 3.718 10.238 1.00 95.27 132 A 1 ATOM 1094 O O . MET A 1 132 ? -14.687 4.757 10.526 1.00 93.83 132 A 1 ATOM 1095 C CB . MET A 1 132 ? -16.599 3.830 8.080 1.00 93.47 132 A 1 ATOM 1096 C CG . MET A 1 132 ? -16.473 5.341 7.863 1.00 83.87 132 A 1 ATOM 1097 S SD . MET A 1 132 ? -17.821 6.038 6.869 1.00 78.64 132 A 1 ATOM 1098 C CE . MET A 1 132 ? -17.269 7.763 6.740 1.00 69.07 132 A 1 ATOM 1099 N N . THR A 1 133 ? -15.850 2.955 11.174 1.00 95.52 133 A 1 ATOM 1100 C CA . THR A 1 133 ? -15.789 3.335 12.590 1.00 95.77 133 A 1 ATOM 1101 C C . THR A 1 133 ? -14.342 3.311 13.096 1.00 96.11 133 A 1 ATOM 1102 O O . THR A 1 133 ? -13.610 2.355 12.832 1.00 95.34 133 A 1 ATOM 1103 C CB . THR A 1 133 ? -16.668 2.447 13.482 1.00 94.20 133 A 1 ATOM 1104 O OG1 . THR A 1 133 ? -16.253 1.107 13.451 1.00 83.36 133 A 1 ATOM 1105 C CG2 . THR A 1 133 ? -18.136 2.494 13.069 1.00 81.74 133 A 1 ATOM 1106 N N . PRO A 1 134 ? -13.913 4.295 13.891 1.00 94.16 134 A 1 ATOM 1107 C CA . PRO A 1 134 ? -12.524 4.367 14.369 1.00 93.13 134 A 1 ATOM 1108 C C . PRO A 1 134 ? -12.055 3.176 15.211 1.00 93.59 134 A 1 ATOM 1109 O O . PRO A 1 134 ? -10.854 2.949 15.363 1.00 92.02 134 A 1 ATOM 1110 C CB . PRO A 1 134 ? -12.475 5.648 15.199 1.00 91.10 134 A 1 ATOM 1111 C CG . PRO A 1 134 ? -13.562 6.528 14.599 1.00 88.81 134 A 1 ATOM 1112 C CD . PRO A 1 134 ? -14.632 5.519 14.222 1.00 92.16 134 A 1 ATOM 1113 N N . SER A 1 135 ? -12.998 2.429 15.784 1.00 94.59 135 A 1 ATOM 1114 C CA . SER A 1 135 ? -12.748 1.232 16.587 1.00 95.04 135 A 1 ATOM 1115 C C . SER A 1 135 ? -12.792 -0.072 15.781 1.00 95.74 135 A 1 ATOM 1116 O O . SER A 1 135 ? -12.674 -1.148 16.378 1.00 94.56 135 A 1 ATOM 1117 C CB . SER A 1 135 ? -13.752 1.188 17.742 1.00 93.78 135 A 1 ATOM 1118 O OG . SER A 1 135 ? -15.071 1.201 17.233 1.00 89.01 135 A 1 ATOM 1119 N N . SER A 1 136 ? -12.968 0.001 14.460 1.00 96.77 136 A 1 ATOM 1120 C CA . SER A 1 136 ? -13.037 -1.175 13.592 1.00 97.18 136 A 1 ATOM 1121 C C . SER A 1 136 ? -11.731 -1.978 13.584 1.00 97.49 136 A 1 ATOM 1122 O O . SER A 1 136 ? -10.662 -1.466 13.931 1.00 97.33 136 A 1 ATOM 1123 C CB . SER A 1 136 ? -13.434 -0.782 12.167 1.00 96.87 136 A 1 ATOM 1124 O OG . SER A 1 136 ? -12.390 -0.089 11.519 1.00 96.01 136 A 1 ATOM 1125 N N . GLY A 1 137 ? -11.824 -3.245 13.171 1.00 97.22 137 A 1 ATOM 1126 C CA . GLY A 1 137 ? -10.651 -4.107 13.000 1.00 97.02 137 A 1 ATOM 1127 C C . GLY A 1 137 ? -9.638 -3.515 12.030 1.00 97.44 137 A 1 ATOM 1128 O O . GLY A 1 137 ? -8.461 -3.456 12.361 1.00 96.93 137 A 1 ATOM 1129 N N . PHE A 1 138 ? -10.104 -2.943 10.923 1.00 97.69 138 A 1 ATOM 1130 C CA . PHE A 1 138 ? -9.252 -2.291 9.924 1.00 97.95 138 A 1 ATOM 1131 C C . PHE A 1 138 ? -8.303 -1.253 10.543 1.00 97.90 138 A 1 ATOM 1132 O O . PHE A 1 138 ? -7.089 -1.331 10.363 1.00 97.79 138 A 1 ATOM 1133 C CB . PHE A 1 138 ? -10.137 -1.628 8.861 1.00 98.00 138 A 1 ATOM 1134 C CG . PHE A 1 138 ? -9.347 -0.839 7.837 1.00 98.29 138 A 1 ATOM 1135 C CD1 . PHE A 1 138 ? -9.082 0.530 8.036 1.00 98.18 138 A 1 ATOM 1136 C CD2 . PHE A 1 138 ? -8.815 -1.486 6.707 1.00 98.15 138 A 1 ATOM 1137 C CE1 . PHE A 1 138 ? -8.291 1.238 7.118 1.00 97.98 138 A 1 ATOM 1138 C CE2 . PHE A 1 138 ? -8.029 -0.779 5.786 1.00 97.90 138 A 1 ATOM 1139 C CZ . PHE A 1 138 ? -7.764 0.582 5.995 1.00 98.05 138 A 1 ATOM 1140 N N . TRP A 1 139 ? -8.831 -0.310 11.314 1.00 97.73 139 A 1 ATOM 1141 C CA . TRP A 1 139 ? -8.011 0.747 11.913 1.00 97.45 139 A 1 ATOM 1142 C C . TRP A 1 139 ? -7.085 0.217 13.007 1.00 97.04 139 A 1 ATOM 1143 O O . TRP A 1 139 ? -5.964 0.706 13.144 1.00 96.46 139 A 1 ATOM 1144 C CB . TRP A 1 139 ? -8.906 1.859 12.455 1.00 97.24 139 A 1 ATOM 1145 C CG . TRP A 1 139 ? -9.664 2.615 11.403 1.00 97.52 139 A 1 ATOM 1146 C CD1 . TRP A 1 139 ? -11.006 2.679 11.290 1.00 96.91 139 A 1 ATOM 1147 C CD2 . TRP A 1 139 ? -9.125 3.406 10.296 1.00 97.66 139 A 1 ATOM 1148 N NE1 . TRP A 1 139 ? -11.347 3.457 10.191 1.00 96.83 139 A 1 ATOM 1149 C CE2 . TRP A 1 139 ? -10.225 3.918 9.553 1.00 97.30 139 A 1 ATOM 1150 C CE3 . TRP A 1 139 ? -7.825 3.734 9.856 1.00 97.38 139 A 1 ATOM 1151 C CZ2 . TRP A 1 139 ? -10.048 4.722 8.402 1.00 96.92 139 A 1 ATOM 1152 C CZ3 . TRP A 1 139 ? -7.647 4.537 8.707 1.00 97.04 139 A 1 ATOM 1153 C CH2 . TRP A 1 139 ? -8.749 5.018 7.991 1.00 96.98 139 A 1 ATOM 1154 N N . LYS A 1 140 ? -7.511 -0.786 13.759 1.00 97.16 140 A 1 ATOM 1155 C CA . LYS A 1 140 ? -6.676 -1.438 14.774 1.00 96.71 140 A 1 ATOM 1156 C C . LYS A 1 140 ? -5.497 -2.170 14.135 1.00 96.41 140 A 1 ATOM 1157 O O . LYS A 1 140 ? -4.360 -1.965 14.558 1.00 95.88 140 A 1 ATOM 1158 C CB . LYS A 1 140 ? -7.515 -2.404 15.618 1.00 96.30 140 A 1 ATOM 1159 C CG . LYS A 1 140 ? -8.475 -1.669 16.562 1.00 90.87 140 A 1 ATOM 1160 C CD . LYS A 1 140 ? -9.380 -2.681 17.277 1.00 86.58 140 A 1 ATOM 1161 C CE . LYS A 1 140 ? -10.305 -1.956 18.249 1.00 78.21 140 A 1 ATOM 1162 N NZ . LYS A 1 140 ? -11.361 -2.849 18.784 1.00 69.94 140 A 1 ATOM 1163 N N . GLU A 1 141 ? -5.761 -2.965 13.110 1.00 97.24 141 A 1 ATOM 1164 C CA . GLU A 1 141 ? -4.721 -3.689 12.374 1.00 97.05 141 A 1 ATOM 1165 C C . GLU A 1 141 ? -3.735 -2.726 11.701 1.00 96.95 141 A 1 ATOM 1166 O O . GLU A 1 141 ? -2.520 -2.890 11.829 1.00 96.50 141 A 1 ATOM 1167 C CB . GLU A 1 141 ? -5.374 -4.593 11.322 1.00 96.77 141 A 1 ATOM 1168 C CG . GLU A 1 141 ? -6.078 -5.808 11.937 1.00 88.51 141 A 1 ATOM 1169 C CD . GLU A 1 141 ? -6.868 -6.609 10.893 1.00 83.37 141 A 1 ATOM 1170 O OE1 . GLU A 1 141 ? -7.947 -7.120 11.257 1.00 77.70 141 A 1 ATOM 1171 O OE2 . GLU A 1 141 ? -6.403 -6.700 9.733 1.00 78.51 141 A 1 ATOM 1172 N N . LEU A 1 142 ? -4.244 -1.676 11.061 1.00 97.36 142 A 1 ATOM 1173 C CA . LEU A 1 142 ? -3.405 -0.663 10.428 1.00 97.45 142 A 1 ATOM 1174 C C . LEU A 1 142 ? -2.536 0.077 11.454 1.00 97.06 142 A 1 ATOM 1175 O O . LEU A 1 142 ? -1.336 0.243 11.237 1.00 96.69 142 A 1 ATOM 1176 C CB . LEU A 1 142 ? -4.299 0.283 9.610 1.00 97.65 142 A 1 ATOM 1177 C CG . LEU A 1 142 ? -3.520 1.321 8.777 1.00 97.46 142 A 1 ATOM 1178 C CD1 . LEU A 1 142 ? -2.551 0.687 7.782 1.00 97.12 142 A 1 ATOM 1179 C CD2 . LEU A 1 142 ? -4.518 2.168 7.985 1.00 97.05 142 A 1 ATOM 1180 N N . ALA A 1 143 ? -3.091 0.456 12.595 1.00 96.67 143 A 1 ATOM 1181 C CA . ALA A 1 143 ? -2.331 1.116 13.657 1.00 95.92 143 A 1 ATOM 1182 C C . ALA A 1 143 ? -1.214 0.231 14.244 1.00 95.62 143 A 1 ATOM 1183 O O . ALA A 1 143 ? -0.169 0.750 14.638 1.00 94.65 143 A 1 ATOM 1184 C CB . ALA A 1 143 ? -3.305 1.564 14.751 1.00 94.97 143 A 1 ATOM 1185 N N . LEU A 1 144 ? -1.406 -1.090 14.277 1.00 95.71 144 A 1 ATOM 1186 C CA . LEU A 1 144 ? -0.389 -2.027 14.770 1.00 95.27 144 A 1 ATOM 1187 C C . LEU A 1 144 ? 0.838 -2.111 13.855 1.00 95.05 144 A 1 ATOM 1188 O O . LEU A 1 144 ? 1.959 -2.273 14.344 1.00 93.67 144 A 1 ATOM 1189 C CB . LEU A 1 144 ? -1.014 -3.424 14.932 1.00 94.48 144 A 1 ATOM 1190 C CG . LEU A 1 144 ? -1.958 -3.571 16.138 1.00 85.94 144 A 1 ATOM 1191 C CD1 . LEU A 1 144 ? -2.696 -4.907 16.055 1.00 82.99 144 A 1 ATOM 1192 C CD2 . LEU A 1 144 ? -1.197 -3.523 17.464 1.00 82.09 144 A 1 ATOM 1193 N N . VAL A 1 145 ? 0.635 -1.993 12.537 1.00 96.29 145 A 1 ATOM 1194 C CA . VAL A 1 145 ? 1.725 -2.111 11.549 1.00 96.24 145 A 1 ATOM 1195 C C . VAL A 1 145 ? 2.369 -0.771 11.200 1.00 96.21 145 A 1 ATOM 1196 O O . VAL A 1 145 ? 3.514 -0.738 10.735 1.00 95.36 145 A 1 ATOM 1197 C CB . VAL A 1 145 ? 1.270 -2.871 10.290 1.00 95.97 145 A 1 ATOM 1198 C CG1 . VAL A 1 145 ? 0.838 -4.297 10.656 1.00 92.83 145 A 1 ATOM 1199 C CG2 . VAL A 1 145 ? 0.128 -2.183 9.550 1.00 93.15 145 A 1 ATOM 1200 N N . MET A 1 146 ? 1.676 0.329 11.459 1.00 95.89 146 A 1 ATOM 1201 C CA . MET A 1 146 ? 2.210 1.679 11.284 1.00 95.78 146 A 1 ATOM 1202 C C . MET A 1 146 ? 3.284 2.007 12.336 1.00 94.98 146 A 1 ATOM 1203 O O . MET A 1 146 ? 3.218 1.529 13.472 1.00 93.73 146 A 1 ATOM 1204 C CB . MET A 1 146 ? 1.064 2.698 11.295 1.00 95.73 146 A 1 ATOM 1205 C CG . MET A 1 146 ? 0.271 2.677 9.975 1.00 94.46 146 A 1 ATOM 1206 S SD . MET A 1 146 ? 1.201 3.171 8.486 1.00 94.55 146 A 1 ATOM 1207 C CE . MET A 1 146 ? 1.331 4.951 8.783 1.00 90.79 146 A 1 ATOM 1208 N N . PRO A 1 147 ? 4.294 2.809 11.988 1.00 94.78 147 A 1 ATOM 1209 C CA . PRO A 1 147 ? 5.311 3.210 12.946 1.00 93.10 147 A 1 ATOM 1210 C C . PRO A 1 147 ? 4.688 4.054 14.063 1.00 91.34 147 A 1 ATOM 1211 O O . PRO A 1 147 ? 3.957 5.010 13.811 1.00 86.42 147 A 1 ATOM 1212 C CB . PRO A 1 147 ? 6.354 3.987 12.138 1.00 91.15 147 A 1 ATOM 1213 C CG . PRO A 1 147 ? 5.556 4.535 10.958 1.00 90.59 147 A 1 ATOM 1214 C CD . PRO A 1 147 ? 4.510 3.455 10.702 1.00 93.80 147 A 1 ATOM 1215 N N . ARG A 1 148 ? 5.009 3.715 15.304 1.00 88.05 148 A 1 ATOM 1216 C CA . ARG A 1 148 ? 4.639 4.565 16.438 1.00 84.52 148 A 1 ATOM 1217 C C . ARG A 1 148 ? 5.458 5.848 16.359 1.00 80.85 148 A 1 ATOM 1218 O O . ARG A 1 148 ? 6.684 5.797 16.436 1.00 70.54 148 A 1 ATOM 1219 C CB . ARG A 1 148 ? 4.857 3.842 17.772 1.00 78.57 148 A 1 ATOM 1220 C CG . ARG A 1 148 ? 3.891 2.655 17.936 1.00 66.96 148 A 1 ATOM 1221 C CD . ARG A 1 148 ? 4.081 1.995 19.302 1.00 62.56 148 A 1 ATOM 1222 N NE . ARG A 1 148 ? 3.197 0.829 19.452 1.00 54.28 148 A 1 ATOM 1223 C CZ . ARG A 1 148 ? 3.112 0.040 20.512 1.00 47.72 148 A 1 ATOM 1224 N NH1 . ARG A 1 148 ? 3.833 0.242 21.579 1.00 44.73 148 A 1 ATOM 1225 N NH2 . ARG A 1 148 ? 2.293 -0.973 20.506 1.00 41.38 148 A 1 ATOM 1226 N N . LYS A 1 149 ? 4.786 6.989 16.243 1.00 74.30 149 A 1 ATOM 1227 C CA . LYS A 1 149 ? 5.452 8.264 16.476 1.00 70.80 149 A 1 ATOM 1228 C C . LYS A 1 149 ? 5.693 8.409 17.968 1.00 68.10 149 A 1 ATOM 1229 O O . LYS A 1 149 ? 4.757 8.509 18.754 1.00 60.31 149 A 1 ATOM 1230 C CB . LYS A 1 149 ? 4.657 9.447 15.915 1.00 64.48 149 A 1 ATOM 1231 C CG . LYS A 1 149 ? 4.925 9.551 14.412 1.00 58.71 149 A 1 ATOM 1232 C CD . LYS A 1 149 ? 4.372 10.852 13.853 1.00 55.23 149 A 1 ATOM 1233 C CE . LYS A 1 149 ? 4.917 10.963 12.437 1.00 50.09 149 A 1 ATOM 1234 N NZ . LYS A 1 149 ? 4.318 12.080 11.705 1.00 46.45 149 A 1 ATOM 1235 N N . HIS A 1 150 ? 6.958 8.464 18.354 1.00 58.29 150 A 1 ATOM 1236 C CA . HIS A 1 150 ? 7.297 9.181 19.562 1.00 55.08 150 A 1 ATOM 1237 C C . HIS A 1 150 ? 6.994 10.653 19.282 1.00 53.74 150 A 1 ATOM 1238 O O . HIS A 1 150 ? 7.701 11.306 18.516 1.00 48.69 150 A 1 ATOM 1239 C CB . HIS A 1 150 ? 8.756 8.920 19.951 1.00 49.30 150 A 1 ATOM 1240 C CG . HIS A 1 150 ? 8.946 7.522 20.475 1.00 45.43 150 A 1 ATOM 1241 N ND1 . HIS A 1 150 ? 8.561 7.064 21.719 1.00 41.51 150 A 1 ATOM 1242 C CD2 . HIS A 1 150 ? 9.476 6.444 19.808 1.00 40.45 150 A 1 ATOM 1243 C CE1 . HIS A 1 150 ? 8.858 5.758 21.801 1.00 38.66 150 A 1 ATOM 1244 N NE2 . HIS A 1 150 ? 9.411 5.341 20.653 1.00 38.97 150 A 1 ATOM 1245 N N . HIS A 1 151 ? 5.904 11.160 19.877 1.00 50.59 151 A 1 ATOM 1246 C CA . HIS A 1 151 ? 5.753 12.594 20.016 1.00 49.96 151 A 1 ATOM 1247 C C . HIS A 1 151 ? 6.905 13.067 20.907 1.00 48.79 151 A 1 ATOM 1248 O O . HIS A 1 151 ? 6.796 13.092 22.129 1.00 45.71 151 A 1 ATOM 1249 C CB . HIS A 1 151 ? 4.380 12.957 20.598 1.00 46.89 151 A 1 ATOM 1250 C CG . HIS A 1 151 ? 3.252 12.832 19.611 1.00 43.98 151 A 1 ATOM 1251 N ND1 . HIS A 1 151 ? 2.962 13.712 18.587 1.00 41.21 151 A 1 ATOM 1252 C CD2 . HIS A 1 151 ? 2.294 11.851 19.578 1.00 39.93 151 A 1 ATOM 1253 C CE1 . HIS A 1 151 ? 1.853 13.274 17.962 1.00 39.08 151 A 1 ATOM 1254 N NE2 . HIS A 1 151 ? 1.422 12.146 18.537 1.00 38.73 151 A 1 ATOM 1255 N N . HIS A 1 152 ? 8.024 13.433 20.290 1.00 45.58 152 A 1 ATOM 1256 C CA . HIS A 1 152 ? 8.884 14.418 20.899 1.00 46.20 152 A 1 ATOM 1257 C C . HIS A 1 152 ? 8.104 15.735 20.863 1.00 45.18 152 A 1 ATOM 1258 O O . HIS A 1 152 ? 8.218 16.519 19.923 1.00 42.26 152 A 1 ATOM 1259 C CB . HIS A 1 152 ? 10.247 14.481 20.197 1.00 43.83 152 A 1 ATOM 1260 C CG . HIS A 1 152 ? 11.133 13.318 20.552 1.00 40.59 152 A 1 ATOM 1261 N ND1 . HIS A 1 152 ? 11.719 13.092 21.780 1.00 37.60 152 A 1 ATOM 1262 C CD2 . HIS A 1 152 ? 11.507 12.274 19.741 1.00 36.80 152 A 1 ATOM 1263 C CE1 . HIS A 1 152 ? 12.424 11.951 21.710 1.00 35.73 152 A 1 ATOM 1264 N NE2 . HIS A 1 152 ? 12.317 11.425 20.486 1.00 35.84 152 A 1 ATOM 1265 N N . HIS A 1 153 ? 7.266 15.938 21.886 1.00 42.46 153 A 1 ATOM 1266 C CA . HIS A 1 153 ? 6.910 17.282 22.288 1.00 43.58 153 A 1 ATOM 1267 C C . HIS A 1 153 ? 8.214 17.941 22.754 1.00 42.36 153 A 1 ATOM 1268 O O . HIS A 1 153 ? 8.578 17.869 23.922 1.00 39.39 153 A 1 ATOM 1269 C CB . HIS A 1 153 ? 5.836 17.260 23.386 1.00 41.77 153 A 1 ATOM 1270 C CG . HIS A 1 153 ? 4.464 16.905 22.879 1.00 38.34 153 A 1 ATOM 1271 N ND1 . HIS A 1 153 ? 3.632 17.730 22.152 1.00 35.27 153 A 1 ATOM 1272 C CD2 . HIS A 1 153 ? 3.784 15.726 23.064 1.00 34.73 153 A 1 ATOM 1273 C CE1 . HIS A 1 153 ? 2.487 17.069 21.907 1.00 33.80 153 A 1 ATOM 1274 N NE2 . HIS A 1 153 ? 2.544 15.846 22.448 1.00 34.04 153 A 1 ATOM 1275 N N . HIS A 1 154 ? 8.933 18.538 21.807 1.00 40.65 154 A 1 ATOM 1276 C CA . HIS A 1 154 ? 9.779 19.656 22.165 1.00 42.76 154 A 1 ATOM 1277 C C . HIS A 1 154 ? 8.828 20.814 22.484 1.00 41.51 154 A 1 ATOM 1278 O O . HIS A 1 154 ? 8.376 21.522 21.587 1.00 38.45 154 A 1 ATOM 1279 C CB . HIS A 1 154 ? 10.782 19.975 21.048 1.00 41.08 154 A 1 ATOM 1280 C CG . HIS A 1 154 ? 11.936 19.010 21.015 1.00 37.90 154 A 1 ATOM 1281 N ND1 . HIS A 1 154 ? 12.963 18.958 21.932 1.00 34.81 154 A 1 ATOM 1282 C CD2 . HIS A 1 154 ? 12.179 18.017 20.096 1.00 34.54 154 A 1 ATOM 1283 C CE1 . HIS A 1 154 ? 13.801 17.970 21.577 1.00 33.85 154 A 1 ATOM 1284 N NE2 . HIS A 1 154 ? 13.355 17.370 20.465 1.00 34.48 154 A 1 ATOM 1285 N N . HIS A 1 155 ? 8.467 20.909 23.740 1.00 34.60 155 A 1 ATOM 1286 C CA . HIS A 1 155 ? 8.252 22.210 24.356 1.00 38.83 155 A 1 ATOM 1287 C C . HIS A 1 155 ? 9.612 22.892 24.542 1.00 36.52 155 A 1 ATOM 1288 O O . HIS A 1 155 ? 10.599 22.174 24.815 1.00 31.77 155 A 1 ATOM 1289 C CB . HIS A 1 155 ? 7.503 22.052 25.682 1.00 35.06 155 A 1 ATOM 1290 C CG . HIS A 1 155 ? 6.017 21.846 25.495 1.00 33.06 155 A 1 ATOM 1291 N ND1 . HIS A 1 155 ? 5.150 22.783 24.979 1.00 28.37 155 A 1 ATOM 1292 C CD2 . HIS A 1 155 ? 5.264 20.742 25.798 1.00 26.81 155 A 1 ATOM 1293 C CE1 . HIS A 1 155 ? 3.914 22.254 24.963 1.00 27.18 155 A 1 ATOM 1294 N NE2 . HIS A 1 155 ? 3.946 21.012 25.458 1.00 29.98 155 A 1 ATOM 1295 O OXT . HIS A 1 155 ? 9.649 24.148 24.423 1.00 28.02 155 A 1 #