# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_7fcj # _entry.id 7fcj # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n LYS 2 1 n MET 3 1 n TYR 4 1 n ASP 5 1 n ALA 6 1 n TYR 7 1 n ILE 8 1 n SER 9 1 n TYR 10 1 n VAL 11 1 n ASN 12 1 n ASN 13 1 n GLU 14 1 n ASN 15 1 n ASP 16 1 n ARG 17 1 n LYS 18 1 n PHE 19 1 n VAL 20 1 n ASN 21 1 n PHE 22 1 n ILE 23 1 n LEU 24 1 n LYS 25 1 n PRO 26 1 n HIS 27 1 n LEU 28 1 n GLU 29 1 n ASN 30 1 n LYS 31 1 n TYR 32 1 n SER 33 1 n HIS 34 1 n LYS 35 1 n LEU 36 1 n LEU 37 1 n LEU 38 1 n ASN 39 1 n ASP 40 1 n THR 41 1 n ASN 42 1 n ILE 43 1 n LEU 44 1 n PRO 45 1 n GLY 46 1 n ALA 47 1 n GLU 48 1 n PRO 49 1 n SER 50 1 n ALA 51 1 n GLU 52 1 n LEU 53 1 n LEU 54 1 n MET 55 1 n ASN 56 1 n ILE 57 1 n SER 58 1 n ARG 59 1 n CYS 60 1 n GLN 61 1 n ARG 62 1 n LEU 63 1 n ILE 64 1 n VAL 65 1 n VAL 66 1 n LEU 67 1 n SER 68 1 n GLN 69 1 n SER 70 1 n TYR 71 1 n LEU 72 1 n GLU 73 1 n GLN 74 1 n GLU 75 1 n TRP 76 1 n CYS 77 1 n THR 78 1 n THR 79 1 n ASN 80 1 n PHE 81 1 n ARG 82 1 n GLN 83 1 n GLY 84 1 n LEU 85 1 n TRP 86 1 n HIS 87 1 n LEU 88 1 n ILE 89 1 n GLU 90 1 n LEU 91 1 n SER 92 1 n ARG 93 1 n LYS 94 1 n PRO 95 1 n ILE 96 1 n PHE 97 1 n ILE 98 1 n ILE 99 1 n PHE 100 1 n GLN 101 1 n SER 102 1 n GLN 103 1 n GLN 104 1 n LYS 105 1 n GLN 106 1 n ILE 107 1 n SER 108 1 n GLN 109 1 n ASP 110 1 n ILE 111 1 n SER 112 1 n GLN 113 1 n GLN 114 1 n LEU 115 1 n ARG 116 1 n GLN 117 1 n HIS 118 1 n GLN 119 1 n PRO 120 1 n SER 121 1 n ILE 122 1 n THR 123 1 n MET 124 1 n ILE 125 1 n THR 126 1 n TRP 127 1 n GLY 128 1 n ALA 129 1 n HIS 130 1 n SER 131 1 n MET 132 1 n THR 133 1 n PRO 134 1 n SER 135 1 n SER 136 1 n GLY 137 1 n PHE 138 1 n TRP 139 1 n LYS 140 1 n GLU 141 1 n LEU 142 1 n ALA 143 1 n LEU 144 1 n VAL 145 1 n MET 146 1 n PRO 147 1 n ARG 148 1 n LYS 149 1 n HIS 150 1 n HIS 151 1 n HIS 152 1 n HIS 153 1 n HIS 154 1 n HIS 155 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-09-26 03:39:09)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 89.20 _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 61.95 1 1 A LYS 2 2 74.34 1 2 A MET 3 2 81.16 1 3 A TYR 4 2 94.32 1 4 A ASP 5 2 95.72 1 5 A ALA 6 2 97.23 1 6 A TYR 7 2 91.76 1 7 A ILE 8 2 97.48 1 8 A SER 9 2 98.33 1 9 A TYR 10 2 98.14 1 10 A VAL 11 2 95.99 1 11 A ASN 12 2 93.68 1 12 A ASN 13 2 93.45 1 13 A GLU 14 2 91.12 1 14 A ASN 15 2 88.31 1 15 A ASP 16 2 97.48 1 16 A ARG 17 2 87.19 1 17 A LYS 18 2 92.58 1 18 A PHE 19 2 97.98 1 19 A VAL 20 2 98.38 1 20 A ASN 21 2 94.03 1 21 A PHE 22 2 93.58 1 22 A ILE 23 2 97.22 1 23 A LEU 24 2 97.90 1 24 A LYS 25 2 93.81 1 25 A PRO 26 2 97.18 1 26 A HIS 27 2 90.37 1 27 A LEU 28 2 96.77 1 28 A GLU 29 2 95.88 1 29 A ASN 30 2 92.32 1 30 A LYS 31 2 84.24 1 31 A TYR 32 2 86.67 1 32 A SER 33 2 92.80 1 33 A HIS 34 2 93.61 1 34 A LYS 35 2 87.88 1 35 A LEU 36 2 97.21 1 36 A LEU 37 2 93.67 1 37 A LEU 38 2 95.23 1 38 A ASN 39 2 91.56 1 39 A ASP 40 2 95.94 1 40 A THR 41 2 92.73 1 41 A ASN 42 2 94.89 1 42 A ILE 43 2 96.30 1 43 A LEU 44 2 96.83 1 44 A PRO 45 2 95.87 1 45 A GLY 46 2 94.74 1 46 A ALA 47 2 94.93 1 47 A GLU 48 2 92.60 1 48 A PRO 49 2 97.29 1 49 A SER 50 2 97.02 1 50 A ALA 51 2 96.18 1 51 A GLU 52 2 86.14 1 52 A LEU 53 2 96.30 1 53 A LEU 54 2 95.18 1 54 A MET 55 2 85.21 1 55 A ASN 56 2 89.80 1 56 A ILE 57 2 88.64 1 57 A SER 58 2 91.21 1 58 A ARG 59 2 86.15 1 59 A CYS 60 2 95.51 1 60 A GLN 61 2 90.09 1 61 A ARG 62 2 92.53 1 62 A LEU 63 2 97.55 1 63 A ILE 64 2 98.31 1 64 A VAL 65 2 98.32 1 65 A VAL 66 2 98.45 1 66 A LEU 67 2 96.38 1 67 A SER 68 2 97.59 1 68 A GLN 69 2 84.66 1 69 A SER 70 2 95.13 1 70 A TYR 71 2 97.69 1 71 A LEU 72 2 96.21 1 72 A GLU 73 2 91.34 1 73 A GLN 74 2 94.26 1 74 A GLU 75 2 86.38 1 75 A TRP 76 2 96.04 1 76 A CYS 77 2 96.19 1 77 A THR 78 2 93.92 1 78 A THR 79 2 92.62 1 79 A ASN 80 2 88.94 1 80 A PHE 81 2 96.48 1 81 A ARG 82 2 82.42 1 82 A GLN 83 2 88.62 1 83 A GLY 84 2 97.77 1 84 A LEU 85 2 97.10 1 85 A TRP 86 2 78.63 1 86 A HIS 87 2 94.73 1 87 A LEU 88 2 97.55 1 88 A ILE 89 2 96.79 1 89 A GLU 90 2 85.37 1 90 A LEU 91 2 94.84 1 91 A SER 92 2 89.31 1 92 A ARG 93 2 69.37 1 93 A LYS 94 2 91.83 1 94 A PRO 95 2 97.44 1 95 A ILE 96 2 98.14 1 96 A PHE 97 2 97.29 1 97 A ILE 98 2 98.22 1 98 A ILE 99 2 91.60 1 99 A PHE 100 2 96.96 1 100 A GLN 101 2 89.14 1 101 A SER 102 2 93.73 1 102 A GLN 103 2 92.04 1 103 A GLN 104 2 80.94 1 104 A LYS 105 2 81.78 1 105 A GLN 106 2 82.67 1 106 A ILE 107 2 89.69 1 107 A SER 108 2 91.97 1 108 A GLN 109 2 83.86 1 109 A ASP 110 2 86.37 1 110 A ILE 111 2 94.59 1 111 A SER 112 2 91.77 1 112 A GLN 113 2 85.41 1 113 A GLN 114 2 89.87 1 114 A LEU 115 2 95.38 1 115 A ARG 116 2 79.52 1 116 A GLN 117 2 86.94 1 117 A HIS 118 2 90.43 1 118 A GLN 119 2 82.08 1 119 A PRO 120 2 93.79 1 120 A SER 121 2 95.83 1 121 A ILE 122 2 97.20 1 122 A THR 123 2 96.92 1 123 A MET 124 2 89.64 1 124 A ILE 125 2 96.59 1 125 A THR 126 2 95.87 1 126 A TRP 127 2 97.83 1 127 A GLY 128 2 96.66 1 128 A ALA 129 2 89.81 1 129 A HIS 130 2 83.34 1 130 A SER 131 2 97.17 1 131 A MET 132 2 88.28 1 132 A THR 133 2 91.99 1 133 A PRO 134 2 92.36 1 134 A SER 135 2 94.01 1 135 A SER 136 2 97.11 1 136 A GLY 137 2 97.27 1 137 A PHE 138 2 98.04 1 138 A TRP 139 2 97.38 1 139 A LYS 140 2 90.02 1 140 A GLU 141 2 90.70 1 141 A LEU 142 2 97.38 1 142 A ALA 143 2 95.72 1 143 A LEU 144 2 90.96 1 144 A VAL 145 2 95.33 1 145 A MET 146 2 94.49 1 146 A PRO 147 2 91.51 1 147 A ARG 148 2 64.90 1 148 A LYS 149 2 61.20 1 149 A HIS 150 2 47.23 1 150 A HIS 151 2 44.31 1 151 A HIS 152 2 42.42 1 152 A HIS 153 2 41.35 1 153 A HIS 154 2 39.05 1 154 A HIS 155 2 35.11 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 ? 12.783 13.282 13.475 1.00 62.97 1 A 1 ATOM 2 C CA . MET A 1 1 ? 11.345 12.960 13.384 1.00 71.30 1 A 1 ATOM 3 C C . MET A 1 1 ? 10.927 12.747 11.938 1.00 76.13 1 A 1 ATOM 4 O O . MET A 1 1 ? 11.527 13.311 11.029 1.00 71.89 1 A 1 ATOM 5 C CB . MET A 1 1 ? 10.487 14.092 13.970 1.00 63.46 1 A 1 ATOM 6 C CG . MET A 1 1 ? 10.702 14.350 15.445 1.00 54.95 1 A 1 ATOM 7 S SD . MET A 1 1 ? 9.596 15.631 16.075 1.00 50.35 1 A 1 ATOM 8 C CE . MET A 1 1 ? 8.534 14.635 17.122 1.00 44.52 1 A 1 ATOM 9 N N . LYS A 1 2 ? 9.914 11.926 11.731 1.00 74.23 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 9.404 11.667 10.391 1.00 80.30 2 A 1 ATOM 11 C C . LYS A 1 2 ? 8.593 12.883 9.937 1.00 83.06 2 A 1 ATOM 12 O O . LYS A 1 2 ? 7.853 13.469 10.725 1.00 80.60 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 8.517 10.430 10.393 1.00 74.81 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 9.226 9.146 10.802 1.00 73.83 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 10.284 8.732 9.795 1.00 71.69 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 10.897 7.391 10.166 1.00 68.17 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 11.894 6.938 9.164 1.00 62.36 2 A 1 ATOM 18 N N . MET A 1 3 ? 8.744 13.244 8.667 1.00 88.21 3 A 1 ATOM 19 C CA . MET A 1 3 ? 8.039 14.391 8.107 1.00 90.49 3 A 1 ATOM 20 C C . MET A 1 3 ? 6.647 14.023 7.589 1.00 92.43 3 A 1 ATOM 21 O O . MET A 1 3 ? 5.731 14.842 7.600 1.00 90.11 3 A 1 ATOM 22 C CB . MET A 1 3 ? 8.878 14.992 6.971 1.00 84.93 3 A 1 ATOM 23 C CG . MET A 1 3 ? 8.363 16.305 6.431 1.00 74.19 3 A 1 ATOM 24 S SD . MET A 1 3 ? 9.422 16.942 5.108 1.00 68.78 3 A 1 ATOM 25 C CE . MET A 1 3 ? 10.943 17.252 6.015 1.00 60.10 3 A 1 ATOM 26 N N . TYR A 1 4 ? 6.496 12.772 7.145 1.00 95.90 4 A 1 ATOM 27 C CA . TYR A 1 4 ? 5.229 12.297 6.597 1.00 96.38 4 A 1 ATOM 28 C C . TYR A 1 4 ? 4.763 11.019 7.283 1.00 96.43 4 A 1 ATOM 29 O O . TYR A 1 4 ? 5.573 10.259 7.818 1.00 95.62 4 A 1 ATOM 30 C CB . TYR A 1 4 ? 5.376 12.039 5.097 1.00 96.10 4 A 1 ATOM 31 C CG . TYR A 1 4 ? 5.712 13.273 4.294 1.00 95.65 4 A 1 ATOM 32 C CD1 . TYR A 1 4 ? 4.715 14.154 3.890 1.00 93.87 4 A 1 ATOM 33 C CD2 . TYR A 1 4 ? 7.032 13.566 3.957 1.00 93.71 4 A 1 ATOM 34 C CE1 . TYR A 1 4 ? 5.019 15.302 3.168 1.00 92.25 4 A 1 ATOM 35 C CE2 . TYR A 1 4 ? 7.347 14.715 3.238 1.00 92.48 4 A 1 ATOM 36 C CZ . TYR A 1 4 ? 6.336 15.577 2.846 1.00 92.87 4 A 1 ATOM 37 O OH . TYR A 1 4 ? 6.640 16.713 2.130 1.00 90.58 4 A 1 ATOM 38 N N . ASP A 1 5 ? 3.455 10.791 7.264 1.00 96.92 5 A 1 ATOM 39 C CA . ASP A 1 5 ? 2.889 9.600 7.886 1.00 96.90 5 A 1 ATOM 40 C C . ASP A 1 5 ? 2.994 8.370 6.990 1.00 96.91 5 A 1 ATOM 41 O O . ASP A 1 5 ? 3.139 7.250 7.478 1.00 96.50 5 A 1 ATOM 42 C CB . ASP A 1 5 ? 1.425 9.849 8.252 1.00 96.65 5 A 1 ATOM 43 C CG . ASP A 1 5 ? 1.263 10.944 9.287 1.00 95.76 5 A 1 ATOM 44 O OD1 . ASP A 1 5 ? 1.886 10.835 10.363 1.00 93.39 5 A 1 ATOM 45 O OD2 . ASP A 1 5 ? 0.520 11.908 9.021 1.00 92.73 5 A 1 ATOM 46 N N . ALA A 1 6 ? 2.920 8.569 5.674 1.00 97.26 6 A 1 ATOM 47 C CA . ALA A 1 6 ? 3.000 7.435 4.757 1.00 97.35 6 A 1 ATOM 48 C C . ALA A 1 6 ? 3.506 7.784 3.366 1.00 97.42 6 A 1 ATOM 49 O O . ALA A 1 6 ? 3.298 8.894 2.870 1.00 97.03 6 A 1 ATOM 50 C CB . ALA A 1 6 ? 1.636 6.762 4.649 1.00 97.07 6 A 1 ATOM 51 N N . TYR A 1 7 ? 4.182 6.822 2.756 1.00 97.13 7 A 1 ATOM 52 C CA . TYR A 1 7 ? 4.714 6.933 1.404 1.00 97.28 7 A 1 ATOM 53 C C . TYR A 1 7 ? 3.869 5.946 0.601 1.00 97.54 7 A 1 ATOM 54 O O . TYR A 1 7 ? 3.883 4.749 0.890 1.00 97.24 7 A 1 ATOM 55 C CB . TYR A 1 7 ? 6.188 6.510 1.409 1.00 96.38 7 A 1 ATOM 56 C CG . TYR A 1 7 ? 6.967 6.801 0.137 1.00 94.92 7 A 1 ATOM 57 C CD1 . TYR A 1 7 ? 6.766 7.970 -0.592 1.00 91.36 7 A 1 ATOM 58 C CD2 . TYR A 1 7 ? 7.967 5.926 -0.289 1.00 90.42 7 A 1 ATOM 59 C CE1 . TYR A 1 7 ? 7.530 8.257 -1.719 1.00 86.10 7 A 1 ATOM 60 C CE2 . TYR A 1 7 ? 8.740 6.205 -1.409 1.00 86.14 7 A 1 ATOM 61 C CZ . TYR A 1 7 ? 8.521 7.369 -2.121 1.00 85.81 7 A 1 ATOM 62 O OH . TYR A 1 7 ? 9.291 7.643 -3.231 1.00 80.79 7 A 1 ATOM 63 N N . ILE A 1 8 ? 3.122 6.451 -0.375 1.00 97.91 8 A 1 ATOM 64 C CA . ILE A 1 8 ? 2.241 5.594 -1.166 1.00 98.16 8 A 1 ATOM 65 C C . ILE A 1 8 ? 2.821 5.292 -2.545 1.00 98.12 8 A 1 ATOM 66 O O . ILE A 1 8 ? 3.039 6.199 -3.351 1.00 97.86 8 A 1 ATOM 67 C CB . ILE A 1 8 ? 0.849 6.246 -1.337 1.00 98.17 8 A 1 ATOM 68 C CG1 . ILE A 1 8 ? 0.234 6.517 0.041 1.00 97.20 8 A 1 ATOM 69 C CG2 . ILE A 1 8 ? -0.064 5.337 -2.158 1.00 97.58 8 A 1 ATOM 70 C CD1 . ILE A 1 8 ? -1.103 7.237 -0.003 1.00 94.86 8 A 1 ATOM 71 N N . SER A 1 9 ? 3.059 4.010 -2.815 1.00 98.42 9 A 1 ATOM 72 C CA . SER A 1 9 ? 3.606 3.566 -4.092 1.00 98.50 9 A 1 ATOM 73 C C . SER A 1 9 ? 2.491 2.936 -4.922 1.00 98.58 9 A 1 ATOM 74 O O . SER A 1 9 ? 1.791 2.039 -4.452 1.00 98.48 9 A 1 ATOM 75 C CB . SER A 1 9 ? 4.718 2.537 -3.863 1.00 98.35 9 A 1 ATOM 76 O OG . SER A 1 9 ? 5.188 2.003 -5.091 1.00 97.65 9 A 1 ATOM 77 N N . TYR A 1 10 ? 2.322 3.407 -6.154 1.00 98.59 10 A 1 ATOM 78 C CA . TYR A 1 10 ? 1.282 2.891 -7.042 1.00 98.64 10 A 1 ATOM 79 C C . TYR A 1 10 ? 1.675 3.104 -8.502 1.00 98.53 10 A 1 ATOM 80 O O . TYR A 1 10 ? 2.588 3.876 -8.796 1.00 98.26 10 A 1 ATOM 81 C CB . TYR A 1 10 ? -0.055 3.604 -6.771 1.00 98.60 10 A 1 ATOM 82 C CG . TYR A 1 10 ? -0.071 5.058 -7.205 1.00 98.58 10 A 1 ATOM 83 C CD1 . TYR A 1 10 ? 0.595 6.041 -6.466 1.00 98.34 10 A 1 ATOM 84 C CD2 . TYR A 1 10 ? -0.743 5.451 -8.361 1.00 98.24 10 A 1 ATOM 85 C CE1 . TYR A 1 10 ? 0.597 7.374 -6.874 1.00 97.83 10 A 1 ATOM 86 C CE2 . TYR A 1 10 ? -0.748 6.782 -8.780 1.00 97.78 10 A 1 ATOM 87 C CZ . TYR A 1 10 ? -0.076 7.736 -8.032 1.00 97.70 10 A 1 ATOM 88 O OH . TYR A 1 10 ? -0.080 9.052 -8.446 1.00 96.60 10 A 1 ATOM 89 N N . VAL A 1 11 ? 0.992 2.408 -9.422 1.00 98.38 11 A 1 ATOM 90 C CA . VAL A 1 11 ? 1.266 2.573 -10.849 1.00 98.18 11 A 1 ATOM 91 C C . VAL A 1 11 ? 0.214 3.506 -11.434 1.00 98.15 11 A 1 ATOM 92 O O . VAL A 1 11 ? -0.944 3.504 -11.006 1.00 97.35 11 A 1 ATOM 93 C CB . VAL A 1 11 ? 1.241 1.228 -11.611 1.00 97.09 11 A 1 ATOM 94 C CG1 . VAL A 1 11 ? 2.486 0.425 -11.258 1.00 89.99 11 A 1 ATOM 95 C CG2 . VAL A 1 11 ? -0.019 0.443 -11.276 1.00 92.76 11 A 1 ATOM 96 N N . ASN A 1 12 ? 0.620 4.312 -12.394 1.00 97.65 12 A 1 ATOM 97 C CA . ASN A 1 12 ? -0.270 5.305 -12.993 1.00 97.11 12 A 1 ATOM 98 C C . ASN A 1 12 ? -1.128 4.828 -14.166 1.00 96.72 12 A 1 ATOM 99 O O . ASN A 1 12 ? -0.855 5.143 -15.323 1.00 94.51 12 A 1 ATOM 100 C CB . ASN A 1 12 ? 0.549 6.527 -13.413 1.00 95.37 12 A 1 ATOM 101 C CG . ASN A 1 12 ? -0.313 7.689 -13.874 1.00 93.45 12 A 1 ATOM 102 O OD1 . ASN A 1 12 ? -1.490 7.784 -13.522 1.00 88.60 12 A 1 ATOM 103 N ND2 . ASN A 1 12 ? 0.282 8.585 -14.655 1.00 86.01 12 A 1 ATOM 104 N N . ASN A 1 13 ? -2.186 4.077 -13.852 1.00 97.07 13 A 1 ATOM 105 C CA . ASN A 1 13 ? -3.179 3.690 -14.843 1.00 96.45 13 A 1 ATOM 106 C C . ASN A 1 13 ? -4.469 4.339 -14.332 1.00 97.10 13 A 1 ATOM 107 O O . ASN A 1 13 ? -4.541 4.744 -13.166 1.00 96.38 13 A 1 ATOM 108 C CB . ASN A 1 13 ? -3.320 2.161 -14.971 1.00 94.01 13 A 1 ATOM 109 C CG . ASN A 1 13 ? -3.764 1.490 -13.689 1.00 93.25 13 A 1 ATOM 110 O OD1 . ASN A 1 13 ? -4.807 1.809 -13.122 1.00 86.82 13 A 1 ATOM 111 N ND2 . ASN A 1 13 ? -2.981 0.504 -13.251 1.00 86.52 13 A 1 ATOM 112 N N . GLU A 1 14 ? -5.475 4.458 -15.183 1.00 97.14 14 A 1 ATOM 113 C CA . GLU A 1 14 ? -6.720 5.130 -14.800 1.00 97.21 14 A 1 ATOM 114 C C . GLU A 1 14 ? -7.370 4.624 -13.511 1.00 97.28 14 A 1 ATOM 115 O O . GLU A 1 14 ? -7.728 5.420 -12.636 1.00 96.48 14 A 1 ATOM 116 C CB . GLU A 1 14 ? -7.728 5.058 -15.949 1.00 96.57 14 A 1 ATOM 117 C CG . GLU A 1 14 ? -7.389 5.978 -17.106 1.00 90.24 14 A 1 ATOM 118 C CD . GLU A 1 14 ? -7.308 7.439 -16.673 1.00 85.60 14 A 1 ATOM 119 O OE1 . GLU A 1 14 ? -8.302 7.950 -16.121 1.00 80.30 14 A 1 ATOM 120 O OE2 . GLU A 1 14 ? -6.244 8.066 -16.879 1.00 79.30 14 A 1 ATOM 121 N N . ASN A 1 15 ? -7.524 3.315 -13.387 1.00 96.80 15 A 1 ATOM 122 C CA . ASN A 1 15 ? -8.165 2.745 -12.202 1.00 96.51 15 A 1 ATOM 123 C C . ASN A 1 15 ? -7.395 3.032 -10.914 1.00 97.22 15 A 1 ATOM 124 O O . ASN A 1 15 ? -7.963 3.539 -9.940 1.00 97.15 15 A 1 ATOM 125 C CB . ASN A 1 15 ? -8.334 1.232 -12.350 1.00 95.01 15 A 1 ATOM 126 C CG . ASN A 1 15 ? -9.040 0.616 -11.159 1.00 81.41 15 A 1 ATOM 127 O OD1 . ASN A 1 15 ? -10.242 0.810 -10.975 1.00 71.94 15 A 1 ATOM 128 N ND2 . ASN A 1 15 ? -8.299 -0.116 -10.337 1.00 70.48 15 A 1 ATOM 129 N N . ASP A 1 16 ? -6.108 2.711 -10.910 1.00 97.72 16 A 1 ATOM 130 C CA . ASP A 1 16 ? -5.288 2.903 -9.716 1.00 98.18 16 A 1 ATOM 131 C C . ASP A 1 16 ? -5.083 4.381 -9.386 1.00 98.37 16 A 1 ATOM 132 O O . ASP A 1 16 ? -5.068 4.762 -8.213 1.00 98.26 16 A 1 ATOM 133 C CB . ASP A 1 16 ? -3.932 2.204 -9.881 1.00 98.01 16 A 1 ATOM 134 C CG . ASP A 1 16 ? -4.066 0.695 -10.044 1.00 97.66 16 A 1 ATOM 135 O OD1 . ASP A 1 16 ? -5.201 0.175 -9.982 1.00 96.09 16 A 1 ATOM 136 O OD2 . ASP A 1 16 ? -3.029 0.026 -10.233 1.00 95.53 16 A 1 ATOM 137 N N . ARG A 1 17 ? -4.921 5.213 -10.405 1.00 98.25 17 A 1 ATOM 138 C CA . ARG A 1 17 ? -4.740 6.648 -10.198 1.00 98.20 17 A 1 ATOM 139 C C . ARG A 1 17 ? -5.975 7.245 -9.523 1.00 98.21 17 A 1 ATOM 140 O O . ARG A 1 17 ? -5.859 8.041 -8.592 1.00 97.88 17 A 1 ATOM 141 C CB . ARG A 1 17 ? -4.489 7.361 -11.533 1.00 97.40 17 A 1 ATOM 142 C CG . ARG A 1 17 ? -4.259 8.863 -11.405 1.00 93.01 17 A 1 ATOM 143 C CD . ARG A 1 17 ? -4.109 9.518 -12.768 1.00 90.08 17 A 1 ATOM 144 N NE . ARG A 1 17 ? -5.327 9.403 -13.574 1.00 80.84 17 A 1 ATOM 145 C CZ . ARG A 1 17 ? -6.448 10.079 -13.337 1.00 73.67 17 A 1 ATOM 146 N NH1 . ARG A 1 17 ? -6.524 10.935 -12.324 1.00 65.47 17 A 1 ATOM 147 N NH2 . ARG A 1 17 ? -7.506 9.905 -14.119 1.00 66.13 17 A 1 ATOM 148 N N . LYS A 1 18 ? -7.151 6.860 -10.000 1.00 98.18 18 A 1 ATOM 149 C CA . LYS A 1 18 ? -8.396 7.369 -9.427 1.00 98.02 18 A 1 ATOM 150 C C . LYS A 1 18 ? -8.581 6.879 -7.991 1.00 98.06 18 A 1 ATOM 151 O O . LYS A 1 18 ? -9.004 7.634 -7.119 1.00 97.80 18 A 1 ATOM 152 C CB . LYS A 1 18 ? -9.595 6.943 -10.283 1.00 97.72 18 A 1 ATOM 153 C CG . LYS A 1 18 ? -9.677 7.669 -11.618 1.00 93.53 18 A 1 ATOM 154 C CD . LYS A 1 18 ? -10.925 7.270 -12.393 1.00 90.75 18 A 1 ATOM 155 C CE . LYS A 1 18 ? -11.032 8.043 -13.700 1.00 82.97 18 A 1 ATOM 156 N NZ . LYS A 1 18 ? -12.255 7.674 -14.473 1.00 76.23 18 A 1 ATOM 157 N N . PHE A 1 19 ? -8.248 5.616 -7.743 1.00 97.95 19 A 1 ATOM 158 C CA . PHE A 1 19 ? -8.379 5.052 -6.401 1.00 98.04 19 A 1 ATOM 159 C C . PHE A 1 19 ? -7.500 5.829 -5.420 1.00 98.11 19 A 1 ATOM 160 O O . PHE A 1 19 ? -7.949 6.222 -4.342 1.00 98.04 19 A 1 ATOM 161 C CB . PHE A 1 19 ? -7.965 3.579 -6.392 1.00 97.97 19 A 1 ATOM 162 C CG . PHE A 1 19 ? -7.887 2.981 -5.008 1.00 98.17 19 A 1 ATOM 163 C CD1 . PHE A 1 19 ? -9.044 2.751 -4.268 1.00 98.02 19 A 1 ATOM 164 C CD2 . PHE A 1 19 ? -6.655 2.681 -4.434 1.00 98.03 19 A 1 ATOM 165 C CE1 . PHE A 1 19 ? -8.974 2.231 -2.977 1.00 97.81 19 A 1 ATOM 166 C CE2 . PHE A 1 19 ? -6.575 2.162 -3.143 1.00 97.74 19 A 1 ATOM 167 C CZ . PHE A 1 19 ? -7.737 1.937 -2.417 1.00 97.90 19 A 1 ATOM 168 N N . VAL A 1 20 ? -6.248 6.044 -5.798 1.00 98.54 20 A 1 ATOM 169 C CA . VAL A 1 20 ? -5.307 6.756 -4.935 1.00 98.59 20 A 1 ATOM 170 C C . VAL A 1 20 ? -5.668 8.225 -4.729 1.00 98.51 20 A 1 ATOM 171 O O . VAL A 1 20 ? -5.704 8.706 -3.595 1.00 98.37 20 A 1 ATOM 172 C CB . VAL A 1 20 ? -3.867 6.660 -5.492 1.00 98.55 20 A 1 ATOM 173 C CG1 . VAL A 1 20 ? -2.921 7.569 -4.706 1.00 98.02 20 A 1 ATOM 174 C CG2 . VAL A 1 20 ? -3.386 5.217 -5.417 1.00 98.09 20 A 1 ATOM 175 N N . ASN A 1 21 ? -5.934 8.935 -5.817 1.00 98.40 21 A 1 ATOM 176 C CA . ASN A 1 21 ? -6.216 10.366 -5.742 1.00 98.15 21 A 1 ATOM 177 C C . ASN A 1 21 ? -7.618 10.788 -5.315 1.00 98.08 21 A 1 ATOM 178 O O . ASN A 1 21 ? -7.785 11.860 -4.731 1.00 97.32 21 A 1 ATOM 179 C CB . ASN A 1 21 ? -5.874 11.028 -7.078 1.00 97.62 21 A 1 ATOM 180 C CG . ASN A 1 21 ? -4.384 11.120 -7.313 1.00 94.70 21 A 1 ATOM 181 O OD1 . ASN A 1 21 ? -3.704 11.965 -6.733 1.00 85.24 21 A 1 ATOM 182 N ND2 . ASN A 1 21 ? -3.860 10.233 -8.152 1.00 82.70 21 A 1 ATOM 183 N N . PHE A 1 22 ? -8.621 9.966 -5.606 1.00 97.86 22 A 1 ATOM 184 C CA . PHE A 1 22 ? -9.993 10.334 -5.264 1.00 97.69 22 A 1 ATOM 185 C C . PHE A 1 22 ? -10.590 9.577 -4.080 1.00 97.62 22 A 1 ATOM 186 O O . PHE A 1 22 ? -11.641 9.966 -3.565 1.00 96.73 22 A 1 ATOM 187 C CB . PHE A 1 22 ? -10.905 10.155 -6.486 1.00 97.29 22 A 1 ATOM 188 C CG . PHE A 1 22 ? -10.471 10.963 -7.687 1.00 95.55 22 A 1 ATOM 189 C CD1 . PHE A 1 22 ? -9.897 12.221 -7.536 1.00 91.55 22 A 1 ATOM 190 C CD2 . PHE A 1 22 ? -10.655 10.464 -8.973 1.00 90.77 22 A 1 ATOM 191 C CE1 . PHE A 1 22 ? -9.506 12.965 -8.644 1.00 88.64 22 A 1 ATOM 192 C CE2 . PHE A 1 22 ? -10.272 11.206 -10.086 1.00 87.97 22 A 1 ATOM 193 C CZ . PHE A 1 22 ? -9.697 12.454 -9.917 1.00 87.75 22 A 1 ATOM 194 N N . ILE A 1 23 ? -9.938 8.508 -3.646 1.00 97.95 23 A 1 ATOM 195 C CA . ILE A 1 23 ? -10.461 7.719 -2.531 1.00 97.91 23 A 1 ATOM 196 C C . ILE A 1 23 ? -9.475 7.608 -1.368 1.00 98.02 23 A 1 ATOM 197 O O . ILE A 1 23 ? -9.747 8.089 -0.270 1.00 97.82 23 A 1 ATOM 198 C CB . ILE A 1 23 ? -10.870 6.304 -3.004 1.00 97.75 23 A 1 ATOM 199 C CG1 . ILE A 1 23 ? -11.974 6.413 -4.059 1.00 97.01 23 A 1 ATOM 200 C CG2 . ILE A 1 23 ? -11.343 5.473 -1.809 1.00 97.13 23 A 1 ATOM 201 C CD1 . ILE A 1 23 ? -12.399 5.083 -4.653 1.00 94.15 23 A 1 ATOM 202 N N . LEU A 1 24 ? -8.337 6.951 -1.607 1.00 98.16 24 A 1 ATOM 203 C CA . LEU A 1 24 ? -7.349 6.737 -0.548 1.00 98.24 24 A 1 ATOM 204 C C . LEU A 1 24 ? -6.761 8.027 0.025 1.00 98.18 24 A 1 ATOM 205 O O . LEU A 1 24 ? -6.817 8.257 1.236 1.00 98.01 24 A 1 ATOM 206 C CB . LEU A 1 24 ? -6.218 5.838 -1.061 1.00 98.23 24 A 1 ATOM 207 C CG . LEU A 1 24 ? -5.165 5.398 -0.036 1.00 97.61 24 A 1 ATOM 208 C CD1 . LEU A 1 24 ? -5.825 4.573 1.058 1.00 97.36 24 A 1 ATOM 209 C CD2 . LEU A 1 24 ? -4.086 4.585 -0.741 1.00 97.43 24 A 1 ATOM 210 N N . LYS A 1 25 ? -6.190 8.856 -0.835 1.00 98.29 25 A 1 ATOM 211 C CA . LYS A 1 25 ? -5.560 10.109 -0.401 1.00 98.20 25 A 1 ATOM 212 C C . LYS A 1 25 ? -6.521 11.041 0.353 1.00 98.04 25 A 1 ATOM 213 O O . LYS A 1 25 ? -6.204 11.477 1.464 1.00 97.83 25 A 1 ATOM 214 C CB . LYS A 1 25 ? -4.954 10.837 -1.610 1.00 97.93 25 A 1 ATOM 215 C CG . LYS A 1 25 ? -4.244 12.147 -1.292 1.00 95.83 25 A 1 ATOM 216 C CD . LYS A 1 25 ? -3.569 12.701 -2.549 1.00 93.22 25 A 1 ATOM 217 C CE . LYS A 1 25 ? -2.839 14.008 -2.283 1.00 85.67 25 A 1 ATOM 218 N NZ . LYS A 1 25 ? -3.771 15.115 -1.918 1.00 79.25 25 A 1 ATOM 219 N N . PRO A 1 26 ? -7.688 11.352 -0.222 1.00 97.98 26 A 1 ATOM 220 C CA . PRO A 1 26 ? -8.622 12.257 0.466 1.00 97.65 26 A 1 ATOM 221 C C . PRO A 1 26 ? -9.051 11.750 1.841 1.00 97.39 26 A 1 ATOM 222 O O . PRO A 1 26 ? -9.168 12.530 2.787 1.00 96.77 26 A 1 ATOM 223 C CB . PRO A 1 26 ? -9.801 12.342 -0.505 1.00 97.18 26 A 1 ATOM 224 C CG . PRO A 1 26 ? -9.153 12.135 -1.839 1.00 95.58 26 A 1 ATOM 225 C CD . PRO A 1 26 ? -8.181 11.016 -1.563 1.00 97.71 26 A 1 ATOM 226 N N . HIS A 1 27 ? -9.278 10.453 1.956 1.00 97.33 27 A 1 ATOM 227 C CA . HIS A 1 27 ? -9.723 9.880 3.223 1.00 96.95 27 A 1 ATOM 228 C C . HIS A 1 27 ? -8.625 9.969 4.283 1.00 96.68 27 A 1 ATOM 229 O O . HIS A 1 27 ? -8.876 10.381 5.418 1.00 96.17 27 A 1 ATOM 230 C CB . HIS A 1 27 ? -10.150 8.423 3.017 1.00 96.51 27 A 1 ATOM 231 C CG . HIS A 1 27 ? -11.137 7.939 4.044 1.00 93.39 27 A 1 ATOM 232 N ND1 . HIS A 1 27 ? -10.795 7.676 5.343 1.00 79.56 27 A 1 ATOM 233 C CD2 . HIS A 1 27 ? -12.461 7.680 3.948 1.00 80.72 27 A 1 ATOM 234 C CE1 . HIS A 1 27 ? -11.864 7.278 6.018 1.00 82.48 27 A 1 ATOM 235 N NE2 . HIS A 1 27 ? -12.891 7.269 5.191 1.00 83.92 27 A 1 ATOM 236 N N . LEU A 1 28 ? -7.405 9.583 3.913 1.00 97.49 28 A 1 ATOM 237 C CA . LEU A 1 28 ? -6.290 9.630 4.856 1.00 97.28 28 A 1 ATOM 238 C C . LEU A 1 28 ? -5.963 11.060 5.288 1.00 96.75 28 A 1 ATOM 239 O O . LEU A 1 28 ? -5.669 11.305 6.458 1.00 96.06 28 A 1 ATOM 240 C CB . LEU A 1 28 ? -5.045 8.974 4.246 1.00 97.42 28 A 1 ATOM 241 C CG . LEU A 1 28 ? -5.097 7.452 4.081 1.00 96.91 28 A 1 ATOM 242 C CD1 . LEU A 1 28 ? -3.844 6.969 3.364 1.00 96.24 28 A 1 ATOM 243 C CD2 . LEU A 1 28 ? -5.215 6.789 5.448 1.00 95.99 28 A 1 ATOM 244 N N . GLU A 1 29 ? -6.021 11.994 4.358 1.00 97.32 29 A 1 ATOM 245 C CA . GLU A 1 29 ? -5.702 13.388 4.666 1.00 97.04 29 A 1 ATOM 246 C C . GLU A 1 29 ? -6.829 14.129 5.384 1.00 96.27 29 A 1 ATOM 247 O O . GLU A 1 29 ? -6.599 14.785 6.401 1.00 95.18 29 A 1 ATOM 248 C CB . GLU A 1 29 ? -5.341 14.153 3.388 1.00 97.09 29 A 1 ATOM 249 C CG . GLU A 1 29 ? -4.141 13.602 2.636 1.00 96.21 29 A 1 ATOM 250 C CD . GLU A 1 29 ? -3.738 14.487 1.469 1.00 95.87 29 A 1 ATOM 251 O OE1 . GLU A 1 29 ? -4.637 15.046 0.804 1.00 93.91 29 A 1 ATOM 252 O OE2 . GLU A 1 29 ? -2.522 14.621 1.215 1.00 94.00 29 A 1 ATOM 253 N N . ASN A 1 30 ? -8.041 14.024 4.863 1.00 96.25 30 A 1 ATOM 254 C CA . ASN A 1 30 ? -9.174 14.749 5.433 1.00 95.47 30 A 1 ATOM 255 C C . ASN A 1 30 ? -9.833 14.108 6.653 1.00 94.43 30 A 1 ATOM 256 O O . ASN A 1 30 ? -10.292 14.817 7.551 1.00 92.46 30 A 1 ATOM 257 C CB . ASN A 1 30 ? -10.230 14.993 4.350 1.00 94.99 30 A 1 ATOM 258 C CG . ASN A 1 30 ? -9.675 15.741 3.155 1.00 92.31 30 A 1 ATOM 259 O OD1 . ASN A 1 30 ? -8.843 16.635 3.303 1.00 87.16 30 A 1 ATOM 260 N ND2 . ASN A 1 30 ? -10.131 15.379 1.962 1.00 85.50 30 A 1 ATOM 261 N N . LYS A 1 31 ? -9.892 12.774 6.688 1.00 94.54 31 A 1 ATOM 262 C CA . LYS A 1 31 ? -10.519 12.084 7.815 1.00 92.95 31 A 1 ATOM 263 C C . LYS A 1 31 ? -9.524 11.718 8.912 1.00 92.24 31 A 1 ATOM 264 O O . LYS A 1 31 ? -9.855 11.793 10.097 1.00 89.65 31 A 1 ATOM 265 C CB . LYS A 1 31 ? -11.227 10.816 7.331 1.00 91.63 31 A 1 ATOM 266 C CG . LYS A 1 31 ? -12.291 11.054 6.269 1.00 84.78 31 A 1 ATOM 267 C CD . LYS A 1 31 ? -13.430 11.905 6.795 1.00 78.51 31 A 1 ATOM 268 C CE . LYS A 1 31 ? -14.507 12.076 5.736 1.00 70.99 31 A 1 ATOM 269 N NZ . LYS A 1 31 ? -15.650 12.892 6.227 1.00 62.91 31 A 1 ATOM 270 N N . TYR A 1 32 ? -8.314 11.310 8.518 1.00 93.62 32 A 1 ATOM 271 C CA . TYR A 1 32 ? -7.303 10.909 9.495 1.00 92.89 32 A 1 ATOM 272 C C . TYR A 1 32 ? -6.228 11.975 9.740 1.00 93.05 32 A 1 ATOM 273 O O . TYR A 1 32 ? -5.344 11.786 10.577 1.00 91.33 32 A 1 ATOM 274 C CB . TYR A 1 32 ? -6.624 9.609 9.052 1.00 91.50 32 A 1 ATOM 275 C CG . TYR A 1 32 ? -7.548 8.408 8.930 1.00 88.92 32 A 1 ATOM 276 C CD1 . TYR A 1 32 ? -8.865 8.440 9.380 1.00 84.26 32 A 1 ATOM 277 C CD2 . TYR A 1 32 ? -7.079 7.218 8.371 1.00 83.93 32 A 1 ATOM 278 C CE1 . TYR A 1 32 ? -9.697 7.332 9.269 1.00 81.27 32 A 1 ATOM 279 C CE2 . TYR A 1 32 ? -7.899 6.102 8.258 1.00 81.11 32 A 1 ATOM 280 C CZ . TYR A 1 32 ? -9.204 6.164 8.706 1.00 81.01 32 A 1 ATOM 281 O OH . TYR A 1 32 ? -10.018 5.058 8.591 1.00 77.16 32 A 1 ATOM 282 N N . SER A 1 33 ? -6.303 13.093 9.021 1.00 94.17 33 A 1 ATOM 283 C CA . SER A 1 33 ? -5.339 14.185 9.169 1.00 94.63 33 A 1 ATOM 284 C C . SER A 1 33 ? -3.885 13.761 8.953 1.00 95.29 33 A 1 ATOM 285 O O . SER A 1 33 ? -2.976 14.258 9.621 1.00 93.86 33 A 1 ATOM 286 C CB . SER A 1 33 ? -5.480 14.828 10.559 1.00 93.27 33 A 1 ATOM 287 O OG . SER A 1 33 ? -6.790 15.332 10.749 1.00 85.57 33 A 1 ATOM 288 N N . HIS A 1 34 ? -3.664 12.844 8.006 1.00 96.01 34 A 1 ATOM 289 C CA . HIS A 1 34 ? -2.320 12.361 7.704 1.00 96.57 34 A 1 ATOM 290 C C . HIS A 1 34 ? -1.654 13.149 6.580 1.00 96.90 34 A 1 ATOM 291 O O . HIS A 1 34 ? -2.329 13.674 5.696 1.00 96.61 34 A 1 ATOM 292 C CB . HIS A 1 34 ? -2.368 10.888 7.307 1.00 96.25 34 A 1 ATOM 293 C CG . HIS A 1 34 ? -2.591 9.953 8.451 1.00 95.75 34 A 1 ATOM 294 N ND1 . HIS A 1 34 ? -3.487 8.906 8.390 1.00 88.46 34 A 1 ATOM 295 C CD2 . HIS A 1 34 ? -2.036 9.891 9.676 1.00 88.65 34 A 1 ATOM 296 C CE1 . HIS A 1 34 ? -3.467 8.241 9.524 1.00 89.89 34 A 1 ATOM 297 N NE2 . HIS A 1 34 ? -2.600 8.821 10.331 1.00 91.01 34 A 1 ATOM 298 N N . LYS A 1 35 ? -0.322 13.219 6.627 1.00 96.98 35 A 1 ATOM 299 C CA . LYS A 1 35 ? 0.447 13.888 5.584 1.00 96.96 35 A 1 ATOM 300 C C . LYS A 1 35 ? 1.073 12.776 4.754 1.00 97.23 35 A 1 ATOM 301 O O . LYS A 1 35 ? 1.676 11.850 5.299 1.00 96.82 35 A 1 ATOM 302 C CB . LYS A 1 35 ? 1.523 14.789 6.192 1.00 96.14 35 A 1 ATOM 303 C CG . LYS A 1 35 ? 0.947 15.999 6.922 1.00 87.86 35 A 1 ATOM 304 C CD . LYS A 1 35 ? 2.008 17.048 7.221 1.00 82.61 35 A 1 ATOM 305 C CE . LYS A 1 35 ? 3.058 16.533 8.180 1.00 72.16 35 A 1 ATOM 306 N NZ . LYS A 1 35 ? 4.067 17.584 8.506 1.00 64.19 35 A 1 ATOM 307 N N . LEU A 1 36 ? 0.917 12.853 3.427 1.00 97.47 36 A 1 ATOM 308 C CA . LEU A 1 36 ? 1.375 11.793 2.536 1.00 97.55 36 A 1 ATOM 309 C C . LEU A 1 36 ? 2.323 12.204 1.420 1.00 97.33 36 A 1 ATOM 310 O O . LEU A 1 36 ? 2.374 13.371 1.033 1.00 96.84 36 A 1 ATOM 311 C CB . LEU A 1 36 ? 0.161 11.127 1.883 1.00 97.59 36 A 1 ATOM 312 C CG . LEU A 1 36 ? -1.053 10.817 2.761 1.00 97.29 36 A 1 ATOM 313 C CD1 . LEU A 1 36 ? -2.242 10.474 1.874 1.00 96.86 36 A 1 ATOM 314 C CD2 . LEU A 1 36 ? -0.723 9.667 3.695 1.00 96.72 36 A 1 ATOM 315 N N . LEU A 1 37 ? 3.066 11.216 0.930 1.00 97.33 37 A 1 ATOM 316 C CA . LEU A 1 37 ? 3.950 11.389 -0.213 1.00 97.05 37 A 1 ATOM 317 C C . LEU A 1 37 ? 3.480 10.330 -1.205 1.00 97.27 37 A 1 ATOM 318 O O . LEU A 1 37 ? 3.349 9.160 -0.845 1.00 96.73 37 A 1 ATOM 319 C CB . LEU A 1 37 ? 5.415 11.124 0.146 1.00 95.92 37 A 1 ATOM 320 C CG . LEU A 1 37 ? 6.256 12.272 0.712 1.00 89.80 37 A 1 ATOM 321 C CD1 . LEU A 1 37 ? 7.684 11.788 0.909 1.00 87.71 37 A 1 ATOM 322 C CD2 . LEU A 1 37 ? 6.227 13.460 -0.239 1.00 87.52 37 A 1 ATOM 323 N N . LEU A 1 38 ? 3.208 10.745 -2.448 1.00 97.33 38 A 1 ATOM 324 C CA . LEU A 1 38 ? 2.756 9.810 -3.474 1.00 97.12 38 A 1 ATOM 325 C C . LEU A 1 38 ? 3.845 9.603 -4.518 1.00 96.50 38 A 1 ATOM 326 O O . LEU A 1 38 ? 4.535 10.549 -4.904 1.00 95.28 38 A 1 ATOM 327 C CB . LEU A 1 38 ? 1.487 10.330 -4.160 1.00 96.95 38 A 1 ATOM 328 C CG . LEU A 1 38 ? 0.142 10.035 -3.485 1.00 95.30 38 A 1 ATOM 329 C CD1 . LEU A 1 38 ? 0.122 10.586 -2.070 1.00 92.14 38 A 1 ATOM 330 C CD2 . LEU A 1 38 ? -0.982 10.645 -4.312 1.00 91.19 38 A 1 ATOM 331 N N . ASN A 1 39 ? 4.008 8.359 -4.972 1.00 96.83 39 A 1 ATOM 332 C CA . ASN A 1 39 ? 5.021 8.030 -5.966 1.00 96.77 39 A 1 ATOM 333 C C . ASN A 1 39 ? 4.454 7.021 -6.964 1.00 97.51 39 A 1 ATOM 334 O O . ASN A 1 39 ? 4.110 5.907 -6.589 1.00 97.21 39 A 1 ATOM 335 C CB . ASN A 1 39 ? 6.258 7.447 -5.277 1.00 94.64 39 A 1 ATOM 336 C CG . ASN A 1 39 ? 7.437 7.300 -6.223 1.00 90.73 39 A 1 ATOM 337 O OD1 . ASN A 1 39 ? 7.285 7.318 -7.439 1.00 79.91 39 A 1 ATOM 338 N ND2 . ASN A 1 39 ? 8.632 7.156 -5.661 1.00 78.88 39 A 1 ATOM 339 N N . ASP A 1 40 ? 4.362 7.417 -8.228 1.00 97.42 40 A 1 ATOM 340 C CA . ASP A 1 40 ? 3.840 6.527 -9.259 1.00 97.40 40 A 1 ATOM 341 C C . ASP A 1 40 ? 4.940 5.948 -10.144 1.00 97.20 40 A 1 ATOM 342 O O . ASP A 1 40 ? 4.667 5.436 -11.231 1.00 95.66 40 A 1 ATOM 343 C CB . ASP A 1 40 ? 2.800 7.257 -10.127 1.00 96.89 40 A 1 ATOM 344 C CG . ASP A 1 40 ? 3.397 8.395 -10.939 1.00 96.27 40 A 1 ATOM 345 O OD1 . ASP A 1 40 ? 4.576 8.742 -10.737 1.00 94.07 40 A 1 ATOM 346 O OD2 . ASP A 1 40 ? 2.665 8.947 -11.786 1.00 92.58 40 A 1 ATOM 347 N N . THR A 1 41 ? 6.187 6.014 -9.672 1.00 96.33 41 A 1 ATOM 348 C CA . THR A 1 41 ? 7.311 5.474 -10.430 1.00 95.68 41 A 1 ATOM 349 C C . THR A 1 41 ? 7.792 4.160 -9.819 1.00 96.13 41 A 1 ATOM 350 O O . THR A 1 41 ? 7.411 3.799 -8.706 1.00 94.80 41 A 1 ATOM 351 C CB . THR A 1 41 ? 8.497 6.460 -10.470 1.00 93.64 41 A 1 ATOM 352 O OG1 . THR A 1 41 ? 9.063 6.593 -9.159 1.00 86.87 41 A 1 ATOM 353 C CG2 . THR A 1 41 ? 8.043 7.825 -10.967 1.00 85.69 41 A 1 ATOM 354 N N . ASN A 1 42 ? 8.645 3.441 -10.559 1.00 96.05 42 A 1 ATOM 355 C CA . ASN A 1 42 ? 9.188 2.167 -10.100 1.00 96.41 42 A 1 ATOM 356 C C . ASN A 1 42 ? 10.135 2.393 -8.921 1.00 96.68 42 A 1 ATOM 357 O O . ASN A 1 42 ? 11.193 2.993 -9.075 1.00 96.02 42 A 1 ATOM 358 C CB . ASN A 1 42 ? 9.938 1.493 -11.253 1.00 95.47 42 A 1 ATOM 359 C CG . ASN A 1 42 ? 10.426 0.098 -10.910 1.00 94.89 42 A 1 ATOM 360 O OD1 . ASN A 1 42 ? 10.221 -0.394 -9.805 1.00 92.44 42 A 1 ATOM 361 N ND2 . ASN A 1 42 ? 11.073 -0.550 -11.875 1.00 91.15 42 A 1 ATOM 362 N N . ILE A 1 43 ? 9.751 1.911 -7.735 1.00 97.37 43 A 1 ATOM 363 C CA . ILE A 1 43 ? 10.575 2.091 -6.540 1.00 97.34 43 A 1 ATOM 364 C C . ILE A 1 43 ? 11.663 1.028 -6.393 1.00 97.65 43 A 1 ATOM 365 O O . ILE A 1 43 ? 12.548 1.159 -5.548 1.00 97.14 43 A 1 ATOM 366 C CB . ILE A 1 43 ? 9.713 2.082 -5.253 1.00 96.89 43 A 1 ATOM 367 C CG1 . ILE A 1 43 ? 8.919 0.775 -5.144 1.00 95.52 43 A 1 ATOM 368 C CG2 . ILE A 1 43 ? 8.786 3.290 -5.247 1.00 93.34 43 A 1 ATOM 369 C CD1 . ILE A 1 43 ? 8.166 0.616 -3.832 1.00 95.14 43 A 1 ATOM 370 N N . LEU A 1 44 ? 11.599 -0.020 -7.210 1.00 97.55 44 A 1 ATOM 371 C CA . LEU A 1 44 ? 12.574 -1.108 -7.137 1.00 97.61 44 A 1 ATOM 372 C C . LEU A 1 44 ? 13.090 -1.530 -8.516 1.00 97.46 44 A 1 ATOM 373 O O . LEU A 1 44 ? 12.947 -2.683 -8.924 1.00 96.39 44 A 1 ATOM 374 C CB . LEU A 1 44 ? 11.948 -2.319 -6.434 1.00 97.32 44 A 1 ATOM 375 C CG . LEU A 1 44 ? 11.686 -2.188 -4.935 1.00 96.76 44 A 1 ATOM 376 C CD1 . LEU A 1 44 ? 10.708 -3.253 -4.473 1.00 95.70 44 A 1 ATOM 377 C CD2 . LEU A 1 44 ? 13.004 -2.314 -4.180 1.00 95.88 44 A 1 ATOM 378 N N . PRO A 1 45 ? 13.731 -0.608 -9.249 1.00 97.19 45 A 1 ATOM 379 C CA . PRO A 1 45 ? 14.259 -0.956 -10.568 1.00 96.56 45 A 1 ATOM 380 C C . PRO A 1 45 ? 15.300 -2.063 -10.424 1.00 96.26 45 A 1 ATOM 381 O O . PRO A 1 45 ? 16.249 -1.948 -9.648 1.00 94.10 45 A 1 ATOM 382 C CB . PRO A 1 45 ? 14.856 0.362 -11.070 1.00 95.80 45 A 1 ATOM 383 C CG . PRO A 1 45 ? 15.235 1.074 -9.807 1.00 94.34 45 A 1 ATOM 384 C CD . PRO A 1 45 ? 14.062 0.786 -8.904 1.00 96.85 45 A 1 ATOM 385 N N . GLY A 1 46 ? 15.105 -3.156 -11.164 1.00 95.79 46 A 1 ATOM 386 C CA . GLY A 1 46 ? 16.034 -4.272 -11.074 1.00 94.90 46 A 1 ATOM 387 C C . GLY A 1 46 ? 15.953 -4.959 -9.716 1.00 95.52 46 A 1 ATOM 388 O O . GLY A 1 46 ? 16.889 -5.635 -9.296 1.00 92.74 46 A 1 ATOM 389 N N . ALA A 1 47 ? 14.827 -4.761 -9.030 1.00 94.91 47 A 1 ATOM 390 C CA . ALA A 1 47 ? 14.597 -5.324 -7.697 1.00 95.25 47 A 1 ATOM 391 C C . ALA A 1 47 ? 15.498 -4.700 -6.628 1.00 96.02 47 A 1 ATOM 392 O O . ALA A 1 47 ? 15.665 -5.254 -5.539 1.00 94.52 47 A 1 ATOM 393 C CB . ALA A 1 47 ? 14.768 -6.844 -7.712 1.00 93.95 47 A 1 ATOM 394 N N . GLU A 1 48 ? 16.076 -3.534 -6.923 1.00 97.15 48 A 1 ATOM 395 C CA . GLU A 1 48 ? 16.931 -2.820 -5.977 1.00 97.26 48 A 1 ATOM 396 C C . GLU A 1 48 ? 16.278 -1.476 -5.647 1.00 97.44 48 A 1 ATOM 397 O O . GLU A 1 48 ? 15.710 -0.832 -6.524 1.00 96.84 48 A 1 ATOM 398 C CB . GLU A 1 48 ? 18.320 -2.573 -6.578 1.00 96.44 48 A 1 ATOM 399 C CG . GLU A 1 48 ? 19.187 -3.818 -6.717 1.00 92.05 48 A 1 ATOM 400 C CD . GLU A 1 48 ? 19.528 -4.442 -5.375 1.00 89.73 48 A 1 ATOM 401 O OE1 . GLU A 1 48 ? 19.836 -3.694 -4.426 1.00 82.91 48 A 1 ATOM 402 O OE2 . GLU A 1 48 ? 19.499 -5.685 -5.272 1.00 83.61 48 A 1 ATOM 403 N N . PRO A 1 49 ? 16.351 -1.038 -4.393 1.00 97.79 49 A 1 ATOM 404 C CA . PRO A 1 49 ? 15.741 0.236 -3.996 1.00 97.72 49 A 1 ATOM 405 C C . PRO A 1 49 ? 16.272 1.410 -4.815 1.00 97.72 49 A 1 ATOM 406 O O . PRO A 1 49 ? 17.481 1.573 -4.960 1.00 97.29 49 A 1 ATOM 407 C CB . PRO A 1 49 ? 16.124 0.358 -2.522 1.00 97.28 49 A 1 ATOM 408 C CG . PRO A 1 49 ? 16.249 -1.065 -2.075 1.00 95.87 49 A 1 ATOM 409 C CD . PRO A 1 49 ? 16.966 -1.715 -3.230 1.00 97.37 49 A 1 ATOM 410 N N . SER A 1 50 ? 15.369 2.225 -5.351 1.00 97.66 50 A 1 ATOM 411 C CA . SER A 1 50 ? 15.778 3.390 -6.126 1.00 97.43 50 A 1 ATOM 412 C C . SER A 1 50 ? 16.321 4.437 -5.160 1.00 97.42 50 A 1 ATOM 413 O O . SER A 1 50 ? 16.036 4.400 -3.962 1.00 97.21 50 A 1 ATOM 414 C CB . SER A 1 50 ? 14.586 3.972 -6.893 1.00 96.95 50 A 1 ATOM 415 O OG . SER A 1 50 ? 13.644 4.548 -6.003 1.00 95.43 50 A 1 ATOM 416 N N . ALA A 1 51 ? 17.109 5.376 -5.685 1.00 97.04 51 A 1 ATOM 417 C CA . ALA A 1 51 ? 17.675 6.432 -4.852 1.00 96.54 51 A 1 ATOM 418 C C . ALA A 1 51 ? 16.541 7.242 -4.229 1.00 96.12 51 A 1 ATOM 419 O O . ALA A 1 51 ? 16.620 7.659 -3.072 1.00 95.23 51 A 1 ATOM 420 C CB . ALA A 1 51 ? 18.570 7.336 -5.694 1.00 95.96 51 A 1 ATOM 421 N N . GLU A 1 52 ? 15.481 7.453 -5.000 1.00 96.05 52 A 1 ATOM 422 C CA . GLU A 1 52 ? 14.328 8.214 -4.526 1.00 95.22 52 A 1 ATOM 423 C C . GLU A 1 52 ? 13.646 7.508 -3.355 1.00 95.35 52 A 1 ATOM 424 O O . GLU A 1 52 ? 13.272 8.145 -2.368 1.00 94.56 52 A 1 ATOM 425 C CB . GLU A 1 52 ? 13.323 8.424 -5.661 1.00 93.46 52 A 1 ATOM 426 C CG . GLU A 1 52 ? 12.214 9.411 -5.316 1.00 81.89 52 A 1 ATOM 427 C CD . GLU A 1 52 ? 11.216 9.594 -6.451 1.00 76.91 52 A 1 ATOM 428 O OE1 . GLU A 1 52 ? 11.600 9.404 -7.623 1.00 71.54 52 A 1 ATOM 429 O OE2 . GLU A 1 52 ? 10.054 9.938 -6.167 1.00 70.28 52 A 1 ATOM 430 N N . LEU A 1 53 ? 13.483 6.193 -3.467 1.00 96.42 53 A 1 ATOM 431 C CA . LEU A 1 53 ? 12.854 5.426 -2.395 1.00 96.68 53 A 1 ATOM 432 C C . LEU A 1 53 ? 13.685 5.509 -1.117 1.00 96.52 53 A 1 ATOM 433 O O . LEU A 1 53 ? 13.150 5.763 -0.038 1.00 96.12 53 A 1 ATOM 434 C CB . LEU A 1 53 ? 12.694 3.956 -2.800 1.00 96.74 53 A 1 ATOM 435 C CG . LEU A 1 53 ? 12.170 3.018 -1.701 1.00 96.54 53 A 1 ATOM 436 C CD1 . LEU A 1 53 ? 10.758 3.426 -1.300 1.00 95.75 53 A 1 ATOM 437 C CD2 . LEU A 1 53 ? 12.192 1.576 -2.194 1.00 95.60 53 A 1 ATOM 438 N N . LEU A 1 54 ? 14.996 5.295 -1.242 1.00 96.70 54 A 1 ATOM 439 C CA . LEU A 1 54 ? 15.888 5.331 -0.087 1.00 96.14 54 A 1 ATOM 440 C C . LEU A 1 54 ? 15.840 6.676 0.632 1.00 95.18 54 A 1 ATOM 441 O O . LEU A 1 54 ? 15.812 6.733 1.861 1.00 94.10 54 A 1 ATOM 442 C CB . LEU A 1 54 ? 17.328 5.028 -0.517 1.00 96.06 54 A 1 ATOM 443 C CG . LEU A 1 54 ? 17.604 3.594 -0.978 1.00 95.12 54 A 1 ATOM 444 C CD1 . LEU A 1 54 ? 19.026 3.490 -1.512 1.00 94.18 54 A 1 ATOM 445 C CD2 . LEU A 1 54 ? 17.397 2.630 0.184 1.00 93.96 54 A 1 ATOM 446 N N . MET A 1 55 ? 15.834 7.748 -0.136 1.00 94.65 55 A 1 ATOM 447 C CA . MET A 1 55 ? 15.806 9.085 0.444 1.00 93.35 55 A 1 ATOM 448 C C . MET A 1 55 ? 14.463 9.427 1.085 1.00 92.84 55 A 1 ATOM 449 O O . MET A 1 55 ? 14.412 9.945 2.201 1.00 91.40 55 A 1 ATOM 450 C CB . MET A 1 55 ? 16.142 10.126 -0.623 1.00 91.54 55 A 1 ATOM 451 C CG . MET A 1 55 ? 16.189 11.553 -0.105 1.00 79.78 55 A 1 ATOM 452 S SD . MET A 1 55 ? 16.718 12.737 -1.364 1.00 73.58 55 A 1 ATOM 453 C CE . MET A 1 55 ? 15.200 12.912 -2.308 1.00 64.57 55 A 1 ATOM 454 N N . ASN A 1 56 ? 13.376 9.139 0.379 1.00 93.65 56 A 1 ATOM 455 C CA . ASN A 1 56 ? 12.050 9.481 0.886 1.00 92.93 56 A 1 ATOM 456 C C . ASN A 1 56 ? 11.450 8.543 1.934 1.00 93.72 56 A 1 ATOM 457 O O . ASN A 1 56 ? 10.657 8.983 2.764 1.00 92.76 56 A 1 ATOM 458 C CB . ASN A 1 56 ? 11.076 9.640 -0.283 1.00 91.21 56 A 1 ATOM 459 C CG . ASN A 1 56 ? 11.398 10.846 -1.140 1.00 88.73 56 A 1 ATOM 460 O OD1 . ASN A 1 56 ? 11.712 11.920 -0.630 1.00 83.35 56 A 1 ATOM 461 N ND2 . ASN A 1 56 ? 11.318 10.678 -2.454 1.00 82.08 56 A 1 ATOM 462 N N . ILE A 1 57 ? 11.818 7.265 1.911 1.00 94.70 57 A 1 ATOM 463 C CA . ILE A 1 57 ? 11.256 6.328 2.881 1.00 94.43 57 A 1 ATOM 464 C C . ILE A 1 57 ? 11.672 6.715 4.302 1.00 94.59 57 A 1 ATOM 465 O O . ILE A 1 57 ? 10.936 6.468 5.256 1.00 93.78 57 A 1 ATOM 466 C CB . ILE A 1 57 ? 11.695 4.869 2.581 1.00 93.10 57 A 1 ATOM 467 C CG1 . ILE A 1 57 ? 10.824 3.886 3.374 1.00 82.33 57 A 1 ATOM 468 C CG2 . ILE A 1 57 ? 13.174 4.673 2.930 1.00 80.91 57 A 1 ATOM 469 C CD1 . ILE A 1 57 ? 9.361 3.908 2.982 1.00 75.27 57 A 1 ATOM 470 N N . SER A 1 58 ? 12.848 7.336 4.437 1.00 94.35 58 A 1 ATOM 471 C CA . SER A 1 58 ? 13.339 7.751 5.750 1.00 93.57 58 A 1 ATOM 472 C C . SER A 1 58 ? 12.531 8.919 6.319 1.00 93.91 58 A 1 ATOM 473 O O . SER A 1 58 ? 12.620 9.220 7.506 1.00 92.13 58 A 1 ATOM 474 C CB . SER A 1 58 ? 14.819 8.146 5.665 1.00 91.79 58 A 1 ATOM 475 O OG . SER A 1 58 ? 14.989 9.317 4.893 1.00 81.51 58 A 1 ATOM 476 N N . ARG A 1 59 ? 11.741 9.567 5.463 1.00 95.41 59 A 1 ATOM 477 C CA . ARG A 1 59 ? 10.921 10.698 5.890 1.00 95.60 59 A 1 ATOM 478 C C . ARG A 1 59 ? 9.480 10.289 6.184 1.00 96.06 59 A 1 ATOM 479 O O . ARG A 1 59 ? 8.656 11.123 6.569 1.00 95.24 59 A 1 ATOM 480 C CB . ARG A 1 59 ? 10.926 11.787 4.814 1.00 94.35 59 A 1 ATOM 481 C CG . ARG A 1 59 ? 12.306 12.323 4.457 1.00 91.12 59 A 1 ATOM 482 C CD . ARG A 1 59 ? 12.192 13.612 3.646 1.00 87.24 59 A 1 ATOM 483 N NE . ARG A 1 59 ? 11.502 13.416 2.379 1.00 80.26 59 A 1 ATOM 484 C CZ . ARG A 1 59 ? 11.031 14.410 1.622 1.00 75.53 59 A 1 ATOM 485 N NH1 . ARG A 1 59 ? 11.172 15.668 2.009 1.00 69.33 59 A 1 ATOM 486 N NH2 . ARG A 1 59 ? 10.420 14.141 0.477 1.00 67.46 59 A 1 ATOM 487 N N . CYS A 1 60 ? 9.177 9.005 6.010 1.00 96.37 60 A 1 ATOM 488 C CA . CYS A 1 60 ? 7.819 8.502 6.215 1.00 96.34 60 A 1 ATOM 489 C C . CYS A 1 60 ? 7.742 7.415 7.284 1.00 96.00 60 A 1 ATOM 490 O O . CYS A 1 60 ? 8.625 6.570 7.383 1.00 95.12 60 A 1 ATOM 491 C CB . CYS A 1 60 ? 7.269 7.954 4.894 1.00 96.03 60 A 1 ATOM 492 S SG . CYS A 1 60 ? 7.262 9.151 3.535 1.00 93.21 60 A 1 ATOM 493 N N . GLN A 1 61 ? 6.673 7.435 8.081 1.00 96.34 61 A 1 ATOM 494 C CA . GLN A 1 61 ? 6.491 6.441 9.136 1.00 95.90 61 A 1 ATOM 495 C C . GLN A 1 61 ? 5.981 5.102 8.614 1.00 95.97 61 A 1 ATOM 496 O O . GLN A 1 61 ? 6.218 4.060 9.226 1.00 95.12 61 A 1 ATOM 497 C CB . GLN A 1 61 ? 5.525 6.967 10.207 1.00 95.15 61 A 1 ATOM 498 C CG . GLN A 1 61 ? 6.015 8.201 10.948 1.00 92.32 61 A 1 ATOM 499 C CD . GLN A 1 61 ? 5.151 8.529 12.151 1.00 87.41 61 A 1 ATOM 500 O OE1 . GLN A 1 61 ? 5.027 7.720 13.071 1.00 77.72 61 A 1 ATOM 501 N NE2 . GLN A 1 61 ? 4.543 9.712 12.150 1.00 74.84 61 A 1 ATOM 502 N N . ARG A 1 62 ? 5.278 5.125 7.483 1.00 96.77 62 A 1 ATOM 503 C CA . ARG A 1 62 ? 4.718 3.903 6.904 1.00 97.16 62 A 1 ATOM 504 C C . ARG A 1 62 ? 4.916 3.850 5.398 1.00 97.51 62 A 1 ATOM 505 O O . ARG A 1 62 ? 5.086 4.880 4.744 1.00 97.03 62 A 1 ATOM 506 C CB . ARG A 1 62 ? 3.213 3.818 7.190 1.00 96.63 62 A 1 ATOM 507 C CG . ARG A 1 62 ? 2.816 3.844 8.663 1.00 94.41 62 A 1 ATOM 508 C CD . ARG A 1 62 ? 3.067 2.508 9.340 1.00 92.37 62 A 1 ATOM 509 N NE . ARG A 1 62 ? 2.567 2.501 10.715 1.00 90.59 62 A 1 ATOM 510 C CZ . ARG A 1 62 ? 3.174 3.085 11.741 1.00 88.66 62 A 1 ATOM 511 N NH1 . ARG A 1 62 ? 4.320 3.718 11.568 1.00 81.86 62 A 1 ATOM 512 N NH2 . ARG A 1 62 ? 2.627 3.045 12.949 1.00 84.86 62 A 1 ATOM 513 N N . LEU A 1 63 ? 4.883 2.632 4.853 1.00 97.67 63 A 1 ATOM 514 C CA . LEU A 1 63 ? 4.975 2.424 3.415 1.00 97.99 63 A 1 ATOM 515 C C . LEU A 1 63 ? 3.680 1.729 3.016 1.00 98.20 63 A 1 ATOM 516 O O . LEU A 1 63 ? 3.330 0.694 3.586 1.00 98.10 63 A 1 ATOM 517 C CB . LEU A 1 63 ? 6.163 1.526 3.048 1.00 97.86 63 A 1 ATOM 518 C CG . LEU A 1 63 ? 6.182 1.036 1.590 1.00 97.36 63 A 1 ATOM 519 C CD1 . LEU A 1 63 ? 6.303 2.218 0.635 1.00 96.74 63 A 1 ATOM 520 C CD2 . LEU A 1 63 ? 7.341 0.063 1.382 1.00 96.47 63 A 1 ATOM 521 N N . ILE A 1 64 ? 2.968 2.319 2.057 1.00 98.34 64 A 1 ATOM 522 C CA . ILE A 1 64 ? 1.725 1.737 1.556 1.00 98.51 64 A 1 ATOM 523 C C . ILE A 1 64 ? 1.920 1.437 0.076 1.00 98.52 64 A 1 ATOM 524 O O . ILE A 1 64 ? 2.329 2.309 -0.692 1.00 98.34 64 A 1 ATOM 525 C CB . ILE A 1 64 ? 0.533 2.710 1.711 1.00 98.51 64 A 1 ATOM 526 C CG1 . ILE A 1 64 ? 0.274 3.001 3.193 1.00 98.24 64 A 1 ATOM 527 C CG2 . ILE A 1 64 ? -0.717 2.108 1.060 1.00 98.19 64 A 1 ATOM 528 C CD1 . ILE A 1 64 ? -0.817 4.034 3.435 1.00 97.84 64 A 1 ATOM 529 N N . VAL A 1 65 ? 1.640 0.204 -0.324 1.00 98.49 65 A 1 ATOM 530 C CA . VAL A 1 65 ? 1.775 -0.202 -1.720 1.00 98.52 65 A 1 ATOM 531 C C . VAL A 1 65 ? 0.416 -0.652 -2.244 1.00 98.53 65 A 1 ATOM 532 O O . VAL A 1 65 ? -0.207 -1.547 -1.680 1.00 98.32 65 A 1 ATOM 533 C CB . VAL A 1 65 ? 2.780 -1.368 -1.867 1.00 98.39 65 A 1 ATOM 534 C CG1 . VAL A 1 65 ? 2.851 -1.818 -3.324 1.00 97.95 65 A 1 ATOM 535 C CG2 . VAL A 1 65 ? 4.158 -0.941 -1.377 1.00 98.01 65 A 1 ATOM 536 N N . VAL A 1 66 ? -0.048 -0.017 -3.320 1.00 98.56 66 A 1 ATOM 537 C CA . VAL A 1 66 ? -1.322 -0.390 -3.932 1.00 98.61 66 A 1 ATOM 538 C C . VAL A 1 66 ? -0.974 -1.537 -4.881 1.00 98.49 66 A 1 ATOM 539 O O . VAL A 1 66 ? -0.599 -1.318 -6.039 1.00 98.17 66 A 1 ATOM 540 C CB . VAL A 1 66 ? -1.940 0.793 -4.716 1.00 98.61 66 A 1 ATOM 541 C CG1 . VAL A 1 66 ? -3.263 0.363 -5.335 1.00 98.31 66 A 1 ATOM 542 C CG2 . VAL A 1 66 ? -2.159 1.974 -3.777 1.00 98.40 66 A 1 ATOM 543 N N . LEU A 1 67 ? -1.072 -2.747 -4.372 1.00 98.11 67 A 1 ATOM 544 C CA . LEU A 1 67 ? -0.672 -3.954 -5.095 1.00 97.81 67 A 1 ATOM 545 C C . LEU A 1 67 ? -1.705 -4.472 -6.094 1.00 97.56 67 A 1 ATOM 546 O O . LEU A 1 67 ? -2.225 -5.578 -5.959 1.00 96.71 67 A 1 ATOM 547 C CB . LEU A 1 67 ? -0.337 -5.046 -4.071 1.00 97.33 67 A 1 ATOM 548 C CG . LEU A 1 67 ? 0.670 -6.122 -4.487 1.00 95.63 67 A 1 ATOM 549 C CD1 . LEU A 1 67 ? 2.058 -5.487 -4.639 1.00 93.90 67 A 1 ATOM 550 C CD2 . LEU A 1 67 ? 0.711 -7.219 -3.422 1.00 94.00 67 A 1 ATOM 551 N N . SER A 1 68 ? -1.975 -3.678 -7.116 1.00 97.81 68 A 1 ATOM 552 C CA . SER A 1 68 ? -2.926 -4.050 -8.157 1.00 97.79 68 A 1 ATOM 553 C C . SER A 1 68 ? -2.275 -5.012 -9.145 1.00 97.58 68 A 1 ATOM 554 O O . SER A 1 68 ? -1.066 -5.248 -9.095 1.00 97.35 68 A 1 ATOM 555 C CB . SER A 1 68 ? -3.375 -2.797 -8.912 1.00 97.74 68 A 1 ATOM 556 O OG . SER A 1 68 ? -2.279 -2.223 -9.613 1.00 97.29 68 A 1 ATOM 557 N N . GLN A 1 69 ? -3.074 -5.558 -10.063 1.00 96.78 69 A 1 ATOM 558 C CA . GLN A 1 69 ? -2.537 -6.460 -11.078 1.00 96.21 69 A 1 ATOM 559 C C . GLN A 1 69 ? -1.526 -5.712 -11.945 1.00 96.57 69 A 1 ATOM 560 O O . GLN A 1 69 ? -0.482 -6.257 -12.298 1.00 96.05 69 A 1 ATOM 561 C CB . GLN A 1 69 ? -3.663 -7.020 -11.945 1.00 94.66 69 A 1 ATOM 562 C CG . GLN A 1 69 ? -4.397 -8.175 -11.290 1.00 81.12 69 A 1 ATOM 563 C CD . GLN A 1 69 ? -3.456 -9.330 -10.973 1.00 72.79 69 A 1 ATOM 564 O OE1 . GLN A 1 69 ? -2.816 -9.886 -11.866 1.00 65.93 69 A 1 ATOM 565 N NE2 . GLN A 1 69 ? -3.365 -9.684 -9.697 1.00 61.79 69 A 1 ATOM 566 N N . SER A 1 70 ? -1.825 -4.462 -12.269 1.00 96.84 70 A 1 ATOM 567 C CA . SER A 1 70 ? -0.912 -3.661 -13.082 1.00 96.84 70 A 1 ATOM 568 C C . SER A 1 70 ? 0.399 -3.421 -12.335 1.00 97.21 70 A 1 ATOM 569 O O . SER A 1 70 ? 1.475 -3.414 -12.931 1.00 96.83 70 A 1 ATOM 570 C CB . SER A 1 70 ? -1.555 -2.322 -13.445 1.00 96.29 70 A 1 ATOM 571 O OG . SER A 1 70 ? -2.656 -2.518 -14.318 1.00 86.78 70 A 1 ATOM 572 N N . TYR A 1 71 ? 0.313 -3.226 -11.020 1.00 97.45 71 A 1 ATOM 573 C CA . TYR A 1 71 ? 1.505 -3.005 -10.204 1.00 97.84 71 A 1 ATOM 574 C C . TYR A 1 71 ? 2.381 -4.255 -10.246 1.00 97.60 71 A 1 ATOM 575 O O . TYR A 1 71 ? 3.603 -4.169 -10.387 1.00 96.98 71 A 1 ATOM 576 C CB . TYR A 1 71 ? 1.105 -2.686 -8.762 1.00 97.95 71 A 1 ATOM 577 C CG . TYR A 1 71 ? 2.246 -2.162 -7.904 1.00 98.28 71 A 1 ATOM 578 C CD1 . TYR A 1 71 ? 3.189 -3.022 -7.346 1.00 97.90 71 A 1 ATOM 579 C CD2 . TYR A 1 71 ? 2.380 -0.791 -7.671 1.00 97.83 71 A 1 ATOM 580 C CE1 . TYR A 1 71 ? 4.246 -2.531 -6.580 1.00 97.58 71 A 1 ATOM 581 C CE2 . TYR A 1 71 ? 3.428 -0.293 -6.904 1.00 97.53 71 A 1 ATOM 582 C CZ . TYR A 1 71 ? 4.362 -1.166 -6.366 1.00 97.86 71 A 1 ATOM 583 O OH . TYR A 1 71 ? 5.405 -0.673 -5.610 1.00 97.42 71 A 1 ATOM 584 N N . LEU A 1 72 ? 1.749 -5.417 -10.133 1.00 97.38 72 A 1 ATOM 585 C CA . LEU A 1 72 ? 2.460 -6.693 -10.138 1.00 97.05 72 A 1 ATOM 586 C C . LEU A 1 72 ? 3.043 -7.070 -11.500 1.00 96.68 72 A 1 ATOM 587 O O . LEU A 1 72 ? 3.785 -8.048 -11.605 1.00 95.84 72 A 1 ATOM 588 C CB . LEU A 1 72 ? 1.533 -7.806 -9.636 1.00 96.68 72 A 1 ATOM 589 C CG . LEU A 1 72 ? 1.171 -7.721 -8.148 1.00 95.86 72 A 1 ATOM 590 C CD1 . LEU A 1 72 ? 0.105 -8.751 -7.802 1.00 95.11 72 A 1 ATOM 591 C CD2 . LEU A 1 72 ? 2.424 -7.948 -7.306 1.00 95.05 72 A 1 ATOM 592 N N . GLU A 1 73 ? 2.719 -6.300 -12.530 1.00 96.69 73 A 1 ATOM 593 C CA . GLU A 1 73 ? 3.248 -6.569 -13.867 1.00 96.13 73 A 1 ATOM 594 C C . GLU A 1 73 ? 4.582 -5.857 -14.086 1.00 96.09 73 A 1 ATOM 595 O O . GLU A 1 73 ? 5.217 -6.018 -15.125 1.00 95.07 73 A 1 ATOM 596 C CB . GLU A 1 73 ? 2.236 -6.135 -14.939 1.00 95.33 73 A 1 ATOM 597 C CG . GLU A 1 73 ? 0.958 -6.965 -14.925 1.00 92.09 73 A 1 ATOM 598 C CD . GLU A 1 73 ? -0.049 -6.512 -15.970 1.00 87.44 73 A 1 ATOM 599 O OE1 . GLU A 1 73 ? 0.039 -5.354 -16.425 1.00 81.57 73 A 1 ATOM 600 O OE2 . GLU A 1 73 ? -0.937 -7.318 -16.321 1.00 81.66 73 A 1 ATOM 601 N N . GLN A 1 74 ? 5.020 -5.074 -13.093 1.00 96.55 74 A 1 ATOM 602 C CA . GLN A 1 74 ? 6.306 -4.392 -13.203 1.00 96.34 74 A 1 ATOM 603 C C . GLN A 1 74 ? 7.391 -5.467 -13.244 1.00 96.33 74 A 1 ATOM 604 O O . GLN A 1 74 ? 7.246 -6.534 -12.646 1.00 95.77 74 A 1 ATOM 605 C CB . GLN A 1 74 ? 6.540 -3.466 -12.005 1.00 95.87 74 A 1 ATOM 606 C CG . GLN A 1 74 ? 5.584 -2.283 -11.945 1.00 94.78 74 A 1 ATOM 607 C CD . GLN A 1 74 ? 5.876 -1.362 -10.777 1.00 95.33 74 A 1 ATOM 608 O OE1 . GLN A 1 74 ? 6.469 -0.295 -10.945 1.00 89.07 74 A 1 ATOM 609 N NE2 . GLN A 1 74 ? 5.472 -1.780 -9.581 1.00 88.32 74 A 1 ATOM 610 N N . GLU A 1 75 ? 8.484 -5.179 -13.955 1.00 96.23 75 A 1 ATOM 611 C CA . GLU A 1 75 ? 9.558 -6.151 -14.131 1.00 95.94 75 A 1 ATOM 612 C C . GLU A 1 75 ? 10.083 -6.784 -12.840 1.00 96.05 75 A 1 ATOM 613 O O . GLU A 1 75 ? 10.300 -7.992 -12.777 1.00 94.99 75 A 1 ATOM 614 C CB . GLU A 1 75 ? 10.720 -5.524 -14.900 1.00 94.97 75 A 1 ATOM 615 C CG . GLU A 1 75 ? 11.736 -6.539 -15.408 1.00 84.21 75 A 1 ATOM 616 C CD . GLU A 1 75 ? 12.864 -5.890 -16.199 1.00 76.16 75 A 1 ATOM 617 O OE1 . GLU A 1 75 ? 12.572 -5.068 -17.094 1.00 70.07 75 A 1 ATOM 618 O OE2 . GLU A 1 75 ? 14.038 -6.212 -15.928 1.00 68.83 75 A 1 ATOM 619 N N . TRP A 1 76 ? 10.302 -5.971 -11.801 1.00 96.15 76 A 1 ATOM 620 C CA . TRP A 1 76 ? 10.839 -6.525 -10.561 1.00 96.35 76 A 1 ATOM 621 C C . TRP A 1 76 ? 9.865 -7.508 -9.909 1.00 96.61 76 A 1 ATOM 622 O O . TRP A 1 76 ? 10.283 -8.455 -9.242 1.00 95.85 76 A 1 ATOM 623 C CB . TRP A 1 76 ? 11.228 -5.422 -9.569 1.00 95.96 76 A 1 ATOM 624 C CG . TRP A 1 76 ? 10.109 -4.728 -8.839 1.00 96.53 76 A 1 ATOM 625 C CD1 . TRP A 1 76 ? 9.505 -3.554 -9.183 1.00 95.24 76 A 1 ATOM 626 C CD2 . TRP A 1 76 ? 9.508 -5.137 -7.599 1.00 97.05 76 A 1 ATOM 627 N NE1 . TRP A 1 76 ? 8.561 -3.204 -8.244 1.00 94.94 76 A 1 ATOM 628 C CE2 . TRP A 1 76 ? 8.542 -4.157 -7.256 1.00 96.55 76 A 1 ATOM 629 C CE3 . TRP A 1 76 ? 9.696 -6.228 -6.740 1.00 96.00 76 A 1 ATOM 630 C CZ2 . TRP A 1 76 ? 7.763 -4.246 -6.096 1.00 95.90 76 A 1 ATOM 631 C CZ3 . TRP A 1 76 ? 8.916 -6.312 -5.589 1.00 95.72 76 A 1 ATOM 632 C CH2 . TRP A 1 76 ? 7.962 -5.329 -5.277 1.00 95.77 76 A 1 ATOM 633 N N . CYS A 1 77 ? 8.581 -7.291 -10.122 1.00 96.64 77 A 1 ATOM 634 C CA . CYS A 1 77 ? 7.567 -8.175 -9.554 1.00 96.47 77 A 1 ATOM 635 C C . CYS A 1 77 ? 7.487 -9.508 -10.299 1.00 96.04 77 A 1 ATOM 636 O O . CYS A 1 77 ? 7.302 -10.557 -9.688 1.00 95.41 77 A 1 ATOM 637 C CB . CYS A 1 77 ? 6.194 -7.496 -9.578 1.00 96.53 77 A 1 ATOM 638 S SG . CYS A 1 77 ? 6.041 -6.066 -8.478 1.00 96.07 77 A 1 ATOM 639 N N . THR A 1 78 ? 7.624 -9.465 -11.613 1.00 96.23 78 A 1 ATOM 640 C CA . THR A 1 78 ? 7.531 -10.678 -12.419 1.00 95.53 78 A 1 ATOM 641 C C . THR A 1 78 ? 8.813 -11.509 -12.438 1.00 95.12 78 A 1 ATOM 642 O O . THR A 1 78 ? 8.771 -12.705 -12.717 1.00 93.37 78 A 1 ATOM 643 C CB . THR A 1 78 ? 7.154 -10.348 -13.880 1.00 94.87 78 A 1 ATOM 644 O OG1 . THR A 1 78 ? 8.181 -9.543 -14.471 1.00 91.45 78 A 1 ATOM 645 C CG2 . THR A 1 78 ? 5.831 -9.594 -13.932 1.00 90.86 78 A 1 ATOM 646 N N . THR A 1 79 ? 9.957 -10.881 -12.138 1.00 95.87 79 A 1 ATOM 647 C CA . THR A 1 79 ? 11.235 -11.594 -12.184 1.00 94.98 79 A 1 ATOM 648 C C . THR A 1 79 ? 11.954 -11.771 -10.846 1.00 94.78 79 A 1 ATOM 649 O O . THR A 1 79 ? 12.661 -12.759 -10.656 1.00 92.59 79 A 1 ATOM 650 C CB . THR A 1 79 ? 12.219 -10.901 -13.148 1.00 93.81 79 A 1 ATOM 651 O OG1 . THR A 1 79 ? 12.526 -9.588 -12.651 1.00 89.30 79 A 1 ATOM 652 C CG2 . THR A 1 79 ? 11.613 -10.784 -14.539 1.00 87.03 79 A 1 ATOM 653 N N . ASN A 1 80 ? 11.789 -10.829 -9.923 1.00 95.81 80 A 1 ATOM 654 C CA . ASN A 1 80 ? 12.475 -10.899 -8.631 1.00 95.80 80 A 1 ATOM 655 C C . ASN A 1 80 ? 11.627 -10.405 -7.462 1.00 96.57 80 A 1 ATOM 656 O O . ASN A 1 80 ? 12.095 -9.634 -6.624 1.00 95.55 80 A 1 ATOM 657 C CB . ASN A 1 80 ? 13.769 -10.078 -8.692 1.00 93.14 80 A 1 ATOM 658 C CG . ASN A 1 80 ? 14.782 -10.641 -9.662 1.00 84.26 80 A 1 ATOM 659 O OD1 . ASN A 1 80 ? 15.411 -11.664 -9.394 1.00 75.86 80 A 1 ATOM 660 N ND2 . ASN A 1 80 ? 14.948 -9.975 -10.795 1.00 74.56 80 A 1 ATOM 661 N N . PHE A 1 81 ? 10.382 -10.850 -7.393 1.00 96.48 81 A 1 ATOM 662 C CA . PHE A 1 81 ? 9.482 -10.409 -6.332 1.00 96.89 81 A 1 ATOM 663 C C . PHE A 1 81 ? 10.027 -10.696 -4.935 1.00 97.03 81 A 1 ATOM 664 O O . PHE A 1 81 ? 9.927 -9.856 -4.044 1.00 96.96 81 A 1 ATOM 665 C CB . PHE A 1 81 ? 8.108 -11.067 -6.477 1.00 96.71 81 A 1 ATOM 666 C CG . PHE A 1 81 ? 7.084 -10.522 -5.519 1.00 96.95 81 A 1 ATOM 667 C CD1 . PHE A 1 81 ? 6.541 -9.255 -5.710 1.00 96.46 81 A 1 ATOM 668 C CD2 . PHE A 1 81 ? 6.683 -11.261 -4.411 1.00 96.35 81 A 1 ATOM 669 C CE1 . PHE A 1 81 ? 5.614 -8.732 -4.815 1.00 95.79 81 A 1 ATOM 670 C CE2 . PHE A 1 81 ? 5.756 -10.746 -3.511 1.00 95.66 81 A 1 ATOM 671 C CZ . PHE A 1 81 ? 5.221 -9.479 -3.714 1.00 96.01 81 A 1 ATOM 672 N N . ARG A 1 82 ? 10.610 -11.878 -4.757 1.00 96.56 82 A 1 ATOM 673 C CA . ARG A 1 82 ? 11.167 -12.263 -3.461 1.00 96.47 82 A 1 ATOM 674 C C . ARG A 1 82 ? 12.190 -11.236 -2.965 1.00 96.66 82 A 1 ATOM 675 O O . ARG A 1 82 ? 12.123 -10.778 -1.824 1.00 96.51 82 A 1 ATOM 676 C CB . ARG A 1 82 ? 11.823 -13.645 -3.555 1.00 95.58 82 A 1 ATOM 677 C CG . ARG A 1 82 ? 12.417 -14.130 -2.240 1.00 88.46 82 A 1 ATOM 678 C CD . ARG A 1 82 ? 13.061 -15.498 -2.367 1.00 83.69 82 A 1 ATOM 679 N NE . ARG A 1 82 ? 12.099 -16.557 -2.680 1.00 72.69 82 A 1 ATOM 680 C CZ . ARG A 1 82 ? 11.780 -16.952 -3.915 1.00 65.10 82 A 1 ATOM 681 N NH1 . ARG A 1 82 ? 12.351 -16.387 -4.967 1.00 58.58 82 A 1 ATOM 682 N NH2 . ARG A 1 82 ? 10.887 -17.910 -4.097 1.00 56.28 82 A 1 ATOM 683 N N . GLN A 1 83 ? 13.142 -10.886 -3.831 1.00 96.92 83 A 1 ATOM 684 C CA . GLN A 1 83 ? 14.181 -9.924 -3.475 1.00 97.02 83 A 1 ATOM 685 C C . GLN A 1 83 ? 13.587 -8.548 -3.183 1.00 97.35 83 A 1 ATOM 686 O O . GLN A 1 83 ? 13.973 -7.884 -2.219 1.00 97.34 83 A 1 ATOM 687 C CB . GLN A 1 83 ? 15.204 -9.812 -4.606 1.00 96.36 83 A 1 ATOM 688 C CG . GLN A 1 83 ? 16.408 -8.937 -4.278 1.00 87.86 83 A 1 ATOM 689 C CD . GLN A 1 83 ? 17.409 -8.882 -5.420 1.00 81.09 83 A 1 ATOM 690 O OE1 . GLN A 1 83 ? 17.769 -9.914 -5.992 1.00 74.36 83 A 1 ATOM 691 N NE2 . GLN A 1 83 ? 17.863 -7.683 -5.760 1.00 69.26 83 A 1 ATOM 692 N N . GLY A 1 84 ? 12.652 -8.125 -4.021 1.00 97.73 84 A 1 ATOM 693 C CA . GLY A 1 84 ? 12.020 -6.826 -3.829 1.00 97.73 84 A 1 ATOM 694 C C . GLY A 1 84 ? 11.268 -6.752 -2.514 1.00 97.88 84 A 1 ATOM 695 O O . GLY A 1 84 ? 11.350 -5.753 -1.798 1.00 97.72 84 A 1 ATOM 696 N N . LEU A 1 85 ? 10.549 -7.811 -2.183 1.00 97.68 85 A 1 ATOM 697 C CA . LEU A 1 85 ? 9.785 -7.855 -0.937 1.00 97.66 85 A 1 ATOM 698 C C . LEU A 1 85 ? 10.715 -7.765 0.272 1.00 97.62 85 A 1 ATOM 699 O O . LEU A 1 85 ? 10.413 -7.075 1.245 1.00 97.50 85 A 1 ATOM 700 C CB . LEU A 1 85 ? 8.956 -9.141 -0.872 1.00 97.45 85 A 1 ATOM 701 C CG . LEU A 1 85 ? 8.053 -9.319 0.357 1.00 96.79 85 A 1 ATOM 702 C CD1 . LEU A 1 85 ? 7.101 -8.139 0.485 1.00 96.11 85 A 1 ATOM 703 C CD2 . LEU A 1 85 ? 7.275 -10.623 0.222 1.00 95.96 85 A 1 ATOM 704 N N . TRP A 1 86 ? 11.858 -8.472 0.204 1.00 97.26 86 A 1 ATOM 705 C CA . TRP A 1 86 ? 12.830 -8.429 1.298 1.00 96.97 86 A 1 ATOM 706 C C . TRP A 1 86 ? 13.295 -6.992 1.534 1.00 97.14 86 A 1 ATOM 707 O O . TRP A 1 86 ? 13.427 -6.549 2.674 1.00 96.77 86 A 1 ATOM 708 C CB . TRP A 1 86 ? 14.053 -9.293 0.977 1.00 96.02 86 A 1 ATOM 709 C CG . TRP A 1 86 ? 13.818 -10.766 1.076 1.00 85.07 86 A 1 ATOM 710 C CD1 . TRP A 1 86 ? 12.822 -11.402 1.766 1.00 72.13 86 A 1 ATOM 711 C CD2 . TRP A 1 86 ? 14.626 -11.808 0.495 1.00 78.27 86 A 1 ATOM 712 N NE1 . TRP A 1 86 ? 12.950 -12.768 1.654 1.00 65.23 86 A 1 ATOM 713 C CE2 . TRP A 1 86 ? 14.058 -13.042 0.877 1.00 73.52 86 A 1 ATOM 714 C CE3 . TRP A 1 86 ? 15.777 -11.816 -0.305 1.00 62.61 86 A 1 ATOM 715 C CZ2 . TRP A 1 86 ? 14.600 -14.268 0.488 1.00 63.40 86 A 1 ATOM 716 C CZ3 . TRP A 1 86 ? 16.314 -13.035 -0.691 1.00 57.25 86 A 1 ATOM 717 C CH2 . TRP A 1 86 ? 15.725 -14.244 -0.298 1.00 59.12 86 A 1 ATOM 718 N N . HIS A 1 87 ? 13.544 -6.269 0.448 1.00 97.60 87 A 1 ATOM 719 C CA . HIS A 1 87 ? 13.987 -4.883 0.557 1.00 97.67 87 A 1 ATOM 720 C C . HIS A 1 87 ? 12.929 -3.989 1.199 1.00 97.66 87 A 1 ATOM 721 O O . HIS A 1 87 ? 13.247 -3.145 2.040 1.00 97.39 87 A 1 ATOM 722 C CB . HIS A 1 87 ? 14.364 -4.339 -0.823 1.00 97.69 87 A 1 ATOM 723 C CG . HIS A 1 87 ? 15.721 -4.773 -1.289 1.00 97.08 87 A 1 ATOM 724 N ND1 . HIS A 1 87 ? 15.953 -5.268 -2.554 1.00 88.27 87 A 1 ATOM 725 C CD2 . HIS A 1 87 ? 16.915 -4.782 -0.665 1.00 89.04 87 A 1 ATOM 726 C CE1 . HIS A 1 87 ? 17.233 -5.561 -2.686 1.00 92.03 87 A 1 ATOM 727 N NE2 . HIS A 1 87 ? 17.842 -5.280 -1.554 1.00 92.88 87 A 1 ATOM 728 N N . LEU A 1 88 ? 11.675 -4.165 0.814 1.00 97.86 88 A 1 ATOM 729 C CA . LEU A 1 88 ? 10.601 -3.347 1.374 1.00 97.84 88 A 1 ATOM 730 C C . LEU A 1 88 ? 10.437 -3.607 2.870 1.00 97.58 88 A 1 ATOM 731 O O . LEU A 1 88 ? 10.197 -2.684 3.644 1.00 97.10 88 A 1 ATOM 732 C CB . LEU A 1 88 ? 9.283 -3.614 0.642 1.00 97.88 88 A 1 ATOM 733 C CG . LEU A 1 88 ? 9.262 -3.240 -0.848 1.00 97.58 88 A 1 ATOM 734 C CD1 . LEU A 1 88 ? 7.873 -3.481 -1.418 1.00 97.35 88 A 1 ATOM 735 C CD2 . LEU A 1 88 ? 9.673 -1.785 -1.035 1.00 97.20 88 A 1 ATOM 736 N N . ILE A 1 89 ? 10.577 -4.864 3.273 1.00 97.69 89 A 1 ATOM 737 C CA . ILE A 1 89 ? 10.457 -5.225 4.681 1.00 97.37 89 A 1 ATOM 738 C C . ILE A 1 89 ? 11.637 -4.651 5.468 1.00 96.77 89 A 1 ATOM 739 O O . ILE A 1 89 ? 11.491 -4.241 6.619 1.00 95.88 89 A 1 ATOM 740 C CB . ILE A 1 89 ? 10.405 -6.763 4.851 1.00 97.39 89 A 1 ATOM 741 C CG1 . ILE A 1 89 ? 9.099 -7.299 4.256 1.00 96.86 89 A 1 ATOM 742 C CG2 . ILE A 1 89 ? 10.520 -7.149 6.322 1.00 96.66 89 A 1 ATOM 743 C CD1 . ILE A 1 89 ? 8.998 -8.813 4.224 1.00 95.68 89 A 1 ATOM 744 N N . GLU A 1 90 ? 12.806 -4.626 4.843 1.00 97.03 90 A 1 ATOM 745 C CA . GLU A 1 90 ? 14.015 -4.096 5.471 1.00 96.34 90 A 1 ATOM 746 C C . GLU A 1 90 ? 13.966 -2.576 5.627 1.00 96.05 90 A 1 ATOM 747 O O . GLU A 1 90 ? 14.424 -2.034 6.637 1.00 94.75 90 A 1 ATOM 748 C CB . GLU A 1 90 ? 15.244 -4.490 4.640 1.00 95.10 90 A 1 ATOM 749 C CG . GLU A 1 90 ? 16.573 -3.896 5.107 1.00 79.08 90 A 1 ATOM 750 C CD . GLU A 1 90 ? 16.979 -4.376 6.486 1.00 74.01 90 A 1 ATOM 751 O OE1 . GLU A 1 90 ? 16.748 -5.561 6.797 1.00 68.10 90 A 1 ATOM 752 O OE2 . GLU A 1 90 ? 17.543 -3.570 7.252 1.00 67.85 90 A 1 ATOM 753 N N . LEU A 1 91 ? 13.414 -1.892 4.629 1.00 96.52 91 A 1 ATOM 754 C CA . LEU A 1 91 ? 13.358 -0.433 4.631 1.00 95.83 91 A 1 ATOM 755 C C . LEU A 1 91 ? 12.219 0.205 5.421 1.00 94.85 91 A 1 ATOM 756 O O . LEU A 1 91 ? 12.302 1.379 5.782 1.00 92.88 91 A 1 ATOM 757 C CB . LEU A 1 91 ? 13.310 0.080 3.187 1.00 95.77 91 A 1 ATOM 758 C CG . LEU A 1 91 ? 14.546 -0.190 2.328 1.00 95.18 91 A 1 ATOM 759 C CD1 . LEU A 1 91 ? 14.251 0.153 0.875 1.00 93.99 91 A 1 ATOM 760 C CD2 . LEU A 1 91 ? 15.718 0.634 2.846 1.00 93.71 91 A 1 ATOM 761 N N . SER A 1 92 ? 11.166 -0.552 5.697 1.00 95.12 92 A 1 ATOM 762 C CA . SER A 1 92 ? 10.025 -0.005 6.424 1.00 93.27 92 A 1 ATOM 763 C C . SER A 1 92 ? 9.539 -0.961 7.506 1.00 91.25 92 A 1 ATOM 764 O O . SER A 1 92 ? 9.764 -2.167 7.433 1.00 85.26 92 A 1 ATOM 765 C CB . SER A 1 92 ? 8.877 0.293 5.454 1.00 91.21 92 A 1 ATOM 766 O OG . SER A 1 92 ? 8.382 -0.905 4.887 1.00 79.74 92 A 1 ATOM 767 N N . ARG A 1 93 ? 8.874 -0.409 8.527 1.00 87.79 93 A 1 ATOM 768 C CA . ARG A 1 93 ? 8.350 -1.231 9.609 1.00 86.76 93 A 1 ATOM 769 C C . ARG A 1 93 ? 6.986 -1.786 9.211 1.00 87.65 93 A 1 ATOM 770 O O . ARG A 1 93 ? 5.983 -1.074 9.244 1.00 81.25 93 A 1 ATOM 771 C CB . ARG A 1 93 ? 8.229 -0.418 10.900 1.00 80.31 93 A 1 ATOM 772 C CG . ARG A 1 93 ? 7.833 -1.260 12.108 1.00 69.41 93 A 1 ATOM 773 C CD . ARG A 1 93 ? 7.892 -0.455 13.402 1.00 66.65 93 A 1 ATOM 774 N NE . ARG A 1 93 ? 6.826 0.538 13.502 1.00 58.11 93 A 1 ATOM 775 C CZ . ARG A 1 93 ? 5.553 0.246 13.751 1.00 52.17 93 A 1 ATOM 776 N NH1 . ARG A 1 93 ? 5.167 -1.016 13.933 1.00 48.56 93 A 1 ATOM 777 N NH2 . ARG A 1 93 ? 4.650 1.216 13.819 1.00 44.39 93 A 1 ATOM 778 N N . LYS A 1 94 ? 6.982 -3.072 8.836 1.00 94.35 94 A 1 ATOM 779 C CA . LYS A 1 94 ? 5.758 -3.771 8.440 1.00 96.01 94 A 1 ATOM 780 C C . LYS A 1 94 ? 4.985 -3.024 7.349 1.00 96.95 94 A 1 ATOM 781 O O . LYS A 1 94 ? 3.949 -2.403 7.622 1.00 96.46 94 A 1 ATOM 782 C CB . LYS A 1 94 ? 4.871 -3.990 9.669 1.00 94.96 94 A 1 ATOM 783 C CG . LYS A 1 94 ? 3.849 -5.097 9.497 1.00 91.73 94 A 1 ATOM 784 C CD . LYS A 1 94 ? 3.202 -5.478 10.817 1.00 90.18 94 A 1 ATOM 785 C CE . LYS A 1 94 ? 2.267 -6.660 10.645 1.00 86.49 94 A 1 ATOM 786 N NZ . LYS A 1 94 ? 1.674 -7.101 11.937 1.00 79.32 94 A 1 ATOM 787 N N . PRO A 1 95 ? 5.481 -3.084 6.100 1.00 97.76 95 A 1 ATOM 788 C CA . PRO A 1 95 ? 4.817 -2.406 4.981 1.00 97.97 95 A 1 ATOM 789 C C . PRO A 1 95 ? 3.362 -2.829 4.808 1.00 98.21 95 A 1 ATOM 790 O O . PRO A 1 95 ? 2.989 -3.968 5.111 1.00 97.96 95 A 1 ATOM 791 C CB . PRO A 1 95 ? 5.685 -2.785 3.778 1.00 97.43 95 A 1 ATOM 792 C CG . PRO A 1 95 ? 6.293 -4.093 4.182 1.00 95.29 95 A 1 ATOM 793 C CD . PRO A 1 95 ? 6.640 -3.871 5.628 1.00 97.48 95 A 1 ATOM 794 N N . ILE A 1 96 ? 2.550 -1.888 4.335 1.00 98.35 96 A 1 ATOM 795 C CA . ILE A 1 96 ? 1.125 -2.121 4.135 1.00 98.45 96 A 1 ATOM 796 C C . ILE A 1 96 ? 0.837 -2.352 2.653 1.00 98.48 96 A 1 ATOM 797 O O . ILE A 1 96 ? 1.216 -1.545 1.809 1.00 98.35 96 A 1 ATOM 798 C CB . ILE A 1 96 ? 0.312 -0.898 4.619 1.00 98.40 96 A 1 ATOM 799 C CG1 . ILE A 1 96 ? 0.609 -0.623 6.096 1.00 97.98 96 A 1 ATOM 800 C CG2 . ILE A 1 96 ? -1.182 -1.130 4.401 1.00 98.00 96 A 1 ATOM 801 C CD1 . ILE A 1 96 ? 0.139 0.740 6.574 1.00 97.15 96 A 1 ATOM 802 N N . PHE A 1 97 ? 0.169 -3.460 2.343 1.00 98.25 97 A 1 ATOM 803 C CA . PHE A 1 97 ? -0.175 -3.794 0.964 1.00 98.24 97 A 1 ATOM 804 C C . PHE A 1 97 ? -1.687 -3.794 0.794 1.00 98.10 97 A 1 ATOM 805 O O . PHE A 1 97 ? -2.400 -4.498 1.509 1.00 97.62 97 A 1 ATOM 806 C CB . PHE A 1 97 ? 0.377 -5.173 0.595 1.00 98.09 97 A 1 ATOM 807 C CG . PHE A 1 97 ? 1.880 -5.233 0.522 1.00 97.98 97 A 1 ATOM 808 C CD1 . PHE A 1 97 ? 2.555 -4.730 -0.585 1.00 96.91 97 A 1 ATOM 809 C CD2 . PHE A 1 97 ? 2.622 -5.786 1.563 1.00 96.76 97 A 1 ATOM 810 C CE1 . PHE A 1 97 ? 3.947 -4.779 -0.657 1.00 95.97 97 A 1 ATOM 811 C CE2 . PHE A 1 97 ? 4.013 -5.833 1.498 1.00 95.85 97 A 1 ATOM 812 C CZ . PHE A 1 97 ? 4.676 -5.329 0.385 1.00 96.45 97 A 1 ATOM 813 N N . ILE A 1 98 ? -2.172 -3.000 -0.155 1.00 98.27 98 A 1 ATOM 814 C CA . ILE A 1 98 ? -3.600 -2.935 -0.441 1.00 98.35 98 A 1 ATOM 815 C C . ILE A 1 98 ? -3.851 -3.724 -1.724 1.00 98.16 98 A 1 ATOM 816 O O . ILE A 1 98 ? -3.229 -3.458 -2.751 1.00 97.91 98 A 1 ATOM 817 C CB . ILE A 1 98 ? -4.071 -1.476 -0.648 1.00 98.48 98 A 1 ATOM 818 C CG1 . ILE A 1 98 ? -3.908 -0.684 0.651 1.00 98.25 98 A 1 ATOM 819 C CG2 . ILE A 1 98 ? -5.529 -1.460 -1.113 1.00 98.35 98 A 1 ATOM 820 C CD1 . ILE A 1 98 ? -4.252 0.793 0.520 1.00 97.96 98 A 1 ATOM 821 N N . ILE A 1 99 ? -4.752 -4.697 -1.660 1.00 97.47 99 A 1 ATOM 822 C CA . ILE A 1 99 ? -5.094 -5.495 -2.834 1.00 97.27 99 A 1 ATOM 823 C C . ILE A 1 99 ? -6.574 -5.305 -3.144 1.00 97.57 99 A 1 ATOM 824 O O . ILE A 1 99 ? -7.377 -5.054 -2.246 1.00 97.33 99 A 1 ATOM 825 C CB . ILE A 1 99 ? -4.808 -7.002 -2.615 1.00 96.12 99 A 1 ATOM 826 C CG1 . ILE A 1 99 ? -5.608 -7.536 -1.424 1.00 86.86 99 A 1 ATOM 827 C CG2 . ILE A 1 99 ? -3.318 -7.228 -2.404 1.00 82.53 99 A 1 ATOM 828 C CD1 . ILE A 1 99 ? -5.473 -9.033 -1.209 1.00 77.63 99 A 1 ATOM 829 N N . PHE A 1 100 ? -6.937 -5.424 -4.424 1.00 97.44 100 A 1 ATOM 830 C CA . PHE A 1 100 ? -8.326 -5.271 -4.840 1.00 97.42 100 A 1 ATOM 831 C C . PHE A 1 100 ? -9.003 -6.637 -4.854 1.00 96.88 100 A 1 ATOM 832 O O . PHE A 1 100 ? -8.505 -7.576 -5.468 1.00 95.94 100 A 1 ATOM 833 C CB . PHE A 1 100 ? -8.395 -4.633 -6.227 1.00 97.42 100 A 1 ATOM 834 C CG . PHE A 1 100 ? -7.887 -3.212 -6.263 1.00 97.72 100 A 1 ATOM 835 C CD1 . PHE A 1 100 ? -8.515 -2.218 -5.520 1.00 96.92 100 A 1 ATOM 836 C CD2 . PHE A 1 100 ? -6.781 -2.870 -7.036 1.00 96.87 100 A 1 ATOM 837 C CE1 . PHE A 1 100 ? -8.049 -0.905 -5.544 1.00 96.52 100 A 1 ATOM 838 C CE2 . PHE A 1 100 ? -6.311 -1.559 -7.067 1.00 96.55 100 A 1 ATOM 839 C CZ . PHE A 1 100 ? -6.948 -0.577 -6.317 1.00 96.87 100 A 1 ATOM 840 N N . GLN A 1 101 ? -10.140 -6.731 -4.179 1.00 96.54 101 A 1 ATOM 841 C CA . GLN A 1 101 ? -10.891 -7.982 -4.096 1.00 96.05 101 A 1 ATOM 842 C C . GLN A 1 101 ? -11.189 -8.569 -5.474 1.00 95.56 101 A 1 ATOM 843 O O . GLN A 1 101 ? -11.092 -9.779 -5.675 1.00 94.68 101 A 1 ATOM 844 C CB . GLN A 1 101 ? -12.202 -7.744 -3.336 1.00 95.34 101 A 1 ATOM 845 C CG . GLN A 1 101 ? -13.061 -8.982 -3.148 1.00 88.74 101 A 1 ATOM 846 C CD . GLN A 1 101 ? -14.319 -8.690 -2.357 1.00 84.52 101 A 1 ATOM 847 O OE1 . GLN A 1 101 ? -15.122 -7.835 -2.732 1.00 76.80 101 A 1 ATOM 848 N NE2 . GLN A 1 101 ? -14.497 -9.393 -1.247 1.00 74.01 101 A 1 ATOM 849 N N . SER A 1 102 ? -11.534 -7.711 -6.424 1.00 95.21 102 A 1 ATOM 850 C CA . SER A 1 102 ? -11.861 -8.148 -7.780 1.00 94.64 102 A 1 ATOM 851 C C . SER A 1 102 ? -10.667 -8.695 -8.563 1.00 94.66 102 A 1 ATOM 852 O O . SER A 1 102 ? -10.841 -9.264 -9.639 1.00 93.29 102 A 1 ATOM 853 C CB . SER A 1 102 ? -12.486 -6.986 -8.564 1.00 93.97 102 A 1 ATOM 854 O OG . SER A 1 102 ? -11.571 -5.915 -8.699 1.00 90.60 102 A 1 ATOM 855 N N . GLN A 1 103 ? -9.462 -8.519 -8.019 1.00 94.72 103 A 1 ATOM 856 C CA . GLN A 1 103 ? -8.251 -8.973 -8.702 1.00 94.04 103 A 1 ATOM 857 C C . GLN A 1 103 ? -7.499 -10.074 -7.951 1.00 93.59 103 A 1 ATOM 858 O O . GLN A 1 103 ? -6.461 -10.545 -8.410 1.00 91.72 103 A 1 ATOM 859 C CB . GLN A 1 103 ? -7.302 -7.782 -8.920 1.00 92.80 103 A 1 ATOM 860 C CG . GLN A 1 103 ? -7.883 -6.661 -9.762 1.00 91.54 103 A 1 ATOM 861 C CD . GLN A 1 103 ? -6.953 -5.461 -9.855 1.00 92.45 103 A 1 ATOM 862 O OE1 . GLN A 1 103 ? -5.816 -5.496 -9.389 1.00 88.65 103 A 1 ATOM 863 N NE2 . GLN A 1 103 ? -7.440 -4.382 -10.466 1.00 88.83 103 A 1 ATOM 864 N N . GLN A 1 104 ? -8.018 -10.481 -6.798 1.00 91.23 104 A 1 ATOM 865 C CA . GLN A 1 104 ? -7.351 -11.493 -5.974 1.00 89.64 104 A 1 ATOM 866 C C . GLN A 1 104 ? -6.992 -12.789 -6.702 1.00 89.92 104 A 1 ATOM 867 O O . GLN A 1 104 ? -5.881 -13.297 -6.559 1.00 88.17 104 A 1 ATOM 868 C CB . GLN A 1 104 ? -8.205 -11.825 -4.749 1.00 86.12 104 A 1 ATOM 869 C CG . GLN A 1 104 ? -8.352 -10.680 -3.764 1.00 77.34 104 A 1 ATOM 870 C CD . GLN A 1 104 ? -9.136 -11.071 -2.532 1.00 74.04 104 A 1 ATOM 871 O OE1 . GLN A 1 104 ? -10.274 -11.531 -2.625 1.00 67.68 104 A 1 ATOM 872 N NE2 . GLN A 1 104 ? -8.531 -10.900 -1.360 1.00 64.34 104 A 1 ATOM 873 N N . LYS A 1 105 ? -7.924 -13.328 -7.485 1.00 91.46 105 A 1 ATOM 874 C CA . LYS A 1 105 ? -7.679 -14.580 -8.199 1.00 91.77 105 A 1 ATOM 875 C C . LYS A 1 105 ? -6.688 -14.441 -9.354 1.00 92.44 105 A 1 ATOM 876 O O . LYS A 1 105 ? -6.216 -15.440 -9.892 1.00 90.34 105 A 1 ATOM 877 C CB . LYS A 1 105 ? -8.999 -15.159 -8.726 1.00 90.45 105 A 1 ATOM 878 C CG . LYS A 1 105 ? -9.943 -15.625 -7.632 1.00 82.32 105 A 1 ATOM 879 C CD . LYS A 1 105 ? -11.191 -16.271 -8.217 1.00 75.61 105 A 1 ATOM 880 C CE . LYS A 1 105 ? -12.102 -16.792 -7.117 1.00 65.44 105 A 1 ATOM 881 N NZ . LYS A 1 105 ? -11.432 -17.811 -6.258 1.00 56.21 105 A 1 ATOM 882 N N . GLN A 1 106 ? -6.369 -13.205 -9.721 1.00 91.29 106 A 1 ATOM 883 C CA . GLN A 1 106 ? -5.427 -12.965 -10.810 1.00 91.38 106 A 1 ATOM 884 C C . GLN A 1 106 ? -3.977 -12.914 -10.326 1.00 92.28 106 A 1 ATOM 885 O O . GLN A 1 106 ? -3.044 -12.933 -11.129 1.00 90.74 106 A 1 ATOM 886 C CB . GLN A 1 106 ? -5.776 -11.658 -11.526 1.00 89.45 106 A 1 ATOM 887 C CG . GLN A 1 106 ? -7.121 -11.674 -12.235 1.00 81.73 106 A 1 ATOM 888 C CD . GLN A 1 106 ? -7.438 -10.350 -12.903 1.00 75.26 106 A 1 ATOM 889 O OE1 . GLN A 1 106 ? -7.579 -9.329 -12.236 1.00 67.21 106 A 1 ATOM 890 N NE2 . GLN A 1 106 ? -7.550 -10.363 -14.226 1.00 64.68 106 A 1 ATOM 891 N N . ILE A 1 107 ? -3.778 -12.854 -9.012 1.00 91.36 107 A 1 ATOM 892 C CA . ILE A 1 107 ? -2.427 -12.815 -8.449 1.00 91.43 107 A 1 ATOM 893 C C . ILE A 1 107 ? -1.810 -14.208 -8.596 1.00 91.78 107 A 1 ATOM 894 O O . ILE A 1 107 ? -2.427 -15.207 -8.231 1.00 91.07 107 A 1 ATOM 895 C CB . ILE A 1 107 ? -2.455 -12.412 -6.959 1.00 90.72 107 A 1 ATOM 896 C CG1 . ILE A 1 107 ? -3.091 -11.026 -6.808 1.00 87.95 107 A 1 ATOM 897 C CG2 . ILE A 1 107 ? -1.041 -12.414 -6.390 1.00 88.26 107 A 1 ATOM 898 C CD1 . ILE A 1 107 ? -3.241 -10.563 -5.371 1.00 84.93 107 A 1 ATOM 899 N N . SER A 1 108 ? -0.584 -14.267 -9.125 1.00 93.15 108 A 1 ATOM 900 C CA . SER A 1 108 ? 0.088 -15.545 -9.339 1.00 92.97 108 A 1 ATOM 901 C C . SER A 1 108 ? 0.250 -16.328 -8.037 1.00 93.62 108 A 1 ATOM 902 O O . SER A 1 108 ? 0.327 -15.749 -6.951 1.00 93.20 108 A 1 ATOM 903 C CB . SER A 1 108 ? 1.465 -15.330 -9.975 1.00 91.41 108 A 1 ATOM 904 O OG . SER A 1 108 ? 2.372 -14.757 -9.053 1.00 87.49 108 A 1 ATOM 905 N N . GLN A 1 109 ? 0.304 -17.649 -8.160 1.00 93.37 109 A 1 ATOM 906 C CA . GLN A 1 109 ? 0.468 -18.509 -6.994 1.00 93.67 109 A 1 ATOM 907 C C . GLN A 1 109 ? 1.801 -18.244 -6.298 1.00 94.40 109 A 1 ATOM 908 O O . GLN A 1 109 ? 1.886 -18.276 -5.072 1.00 93.95 109 A 1 ATOM 909 C CB . GLN A 1 109 ? 0.386 -19.978 -7.412 1.00 92.81 109 A 1 ATOM 910 C CG . GLN A 1 109 ? -1.009 -20.434 -7.811 1.00 81.56 109 A 1 ATOM 911 C CD . GLN A 1 109 ? -1.041 -21.880 -8.260 1.00 74.05 109 A 1 ATOM 912 O OE1 . GLN A 1 109 ? -0.456 -22.754 -7.616 1.00 67.12 109 A 1 ATOM 913 N NE2 . GLN A 1 109 ? -1.737 -22.151 -9.360 1.00 63.84 109 A 1 ATOM 914 N N . ASP A 1 110 ? 2.841 -17.984 -7.079 1.00 94.16 110 A 1 ATOM 915 C CA . ASP A 1 110 ? 4.168 -17.725 -6.523 1.00 94.11 110 A 1 ATOM 916 C C . ASP A 1 110 ? 4.179 -16.462 -5.662 1.00 95.10 110 A 1 ATOM 917 O O . ASP A 1 110 ? 4.697 -16.465 -4.543 1.00 94.68 110 A 1 ATOM 918 C CB . ASP A 1 110 ? 5.203 -17.589 -7.646 1.00 92.55 110 A 1 ATOM 919 C CG . ASP A 1 110 ? 6.606 -17.382 -7.107 1.00 78.63 110 A 1 ATOM 920 O OD1 . ASP A 1 110 ? 7.086 -18.245 -6.347 1.00 71.61 110 A 1 ATOM 921 O OD2 . ASP A 1 110 ? 7.225 -16.356 -7.449 1.00 70.13 110 A 1 ATOM 922 N N . ILE A 1 111 ? 3.601 -15.377 -6.177 1.00 95.00 111 A 1 ATOM 923 C CA . ILE A 1 111 ? 3.550 -14.123 -5.433 1.00 95.40 111 A 1 ATOM 924 C C . ILE A 1 111 ? 2.688 -14.276 -4.180 1.00 95.66 111 A 1 ATOM 925 O O . ILE A 1 111 ? 3.043 -13.788 -3.106 1.00 95.56 111 A 1 ATOM 926 C CB . ILE A 1 111 ? 3.013 -12.974 -6.318 1.00 95.38 111 A 1 ATOM 927 C CG1 . ILE A 1 111 ? 4.069 -12.613 -7.371 1.00 94.31 111 A 1 ATOM 928 C CG2 . ILE A 1 111 ? 2.659 -11.758 -5.467 1.00 94.45 111 A 1 ATOM 929 C CD1 . ILE A 1 111 ? 3.655 -11.512 -8.329 1.00 90.99 111 A 1 ATOM 930 N N . SER A 1 112 ? 1.560 -14.959 -4.313 1.00 94.81 112 A 1 ATOM 931 C CA . SER A 1 112 ? 0.672 -15.183 -3.176 1.00 94.22 112 A 1 ATOM 932 C C . SER A 1 112 ? 1.406 -15.949 -2.074 1.00 94.76 112 A 1 ATOM 933 O O . SER A 1 112 ? 1.234 -15.666 -0.889 1.00 94.58 112 A 1 ATOM 934 C CB . SER A 1 112 ? -0.570 -15.964 -3.606 1.00 92.73 112 A 1 ATOM 935 O OG . SER A 1 112 ? -1.380 -15.192 -4.476 1.00 79.55 112 A 1 ATOM 936 N N . GLN A 1 113 ? 2.229 -16.915 -2.480 1.00 95.00 113 A 1 ATOM 937 C CA . GLN A 1 113 ? 2.992 -17.711 -1.527 1.00 95.15 113 A 1 ATOM 938 C C . GLN A 1 113 ? 4.031 -16.855 -0.808 1.00 95.51 113 A 1 ATOM 939 O O . GLN A 1 113 ? 4.227 -16.983 0.400 1.00 95.50 113 A 1 ATOM 940 C CB . GLN A 1 113 ? 3.681 -18.871 -2.240 1.00 94.82 113 A 1 ATOM 941 C CG . GLN A 1 113 ? 4.416 -19.831 -1.306 1.00 82.16 113 A 1 ATOM 942 C CD . GLN A 1 113 ? 5.080 -20.970 -2.054 1.00 76.43 113 A 1 ATOM 943 O OE1 . GLN A 1 113 ? 4.435 -21.669 -2.836 1.00 69.18 113 A 1 ATOM 944 N NE2 . GLN A 1 113 ? 6.373 -21.166 -1.818 1.00 64.92 113 A 1 ATOM 945 N N . GLN A 1 114 ? 4.703 -15.980 -1.551 1.00 95.72 114 A 1 ATOM 946 C CA . GLN A 1 114 ? 5.715 -15.103 -0.964 1.00 95.78 114 A 1 ATOM 947 C C . GLN A 1 114 ? 5.085 -14.187 0.084 1.00 95.91 114 A 1 ATOM 948 O O . GLN A 1 114 ? 5.645 -13.981 1.163 1.00 95.44 114 A 1 ATOM 949 C CB . GLN A 1 114 ? 6.390 -14.255 -2.050 1.00 95.63 114 A 1 ATOM 950 C CG . GLN A 1 114 ? 7.256 -15.054 -3.014 1.00 91.59 114 A 1 ATOM 951 C CD . GLN A 1 114 ? 8.396 -15.758 -2.307 1.00 87.24 114 A 1 ATOM 952 O OE1 . GLN A 1 114 ? 9.174 -15.136 -1.589 1.00 76.98 114 A 1 ATOM 953 N NE2 . GLN A 1 114 ? 8.496 -17.067 -2.508 1.00 74.55 114 A 1 ATOM 954 N N . LEU A 1 115 ? 3.924 -13.634 -0.227 1.00 96.14 115 A 1 ATOM 955 C CA . LEU A 1 115 ? 3.233 -12.745 0.702 1.00 95.74 115 A 1 ATOM 956 C C . LEU A 1 115 ? 2.793 -13.520 1.944 1.00 95.57 115 A 1 ATOM 957 O O . LEU A 1 115 ? 2.900 -13.021 3.065 1.00 95.12 115 A 1 ATOM 958 C CB . LEU A 1 115 ? 2.016 -12.111 0.021 1.00 95.83 115 A 1 ATOM 959 C CG . LEU A 1 115 ? 2.323 -11.138 -1.123 1.00 95.45 115 A 1 ATOM 960 C CD1 . LEU A 1 115 ? 1.037 -10.764 -1.848 1.00 94.67 115 A 1 ATOM 961 C CD2 . LEU A 1 115 ? 3.004 -9.894 -0.572 1.00 94.51 115 A 1 ATOM 962 N N . ARG A 1 116 ? 2.319 -14.738 1.733 1.00 95.01 116 A 1 ATOM 963 C CA . ARG A 1 116 ? 1.857 -15.584 2.831 1.00 94.33 116 A 1 ATOM 964 C C . ARG A 1 116 ? 3.002 -15.943 3.782 1.00 94.53 116 A 1 ATOM 965 O O . ARG A 1 116 ? 2.835 -15.944 5.000 1.00 93.98 116 A 1 ATOM 966 C CB . ARG A 1 116 ? 1.221 -16.862 2.281 1.00 93.14 116 A 1 ATOM 967 C CG . ARG A 1 116 ? 0.430 -17.654 3.309 1.00 81.28 116 A 1 ATOM 968 C CD . ARG A 1 116 ? -0.167 -18.907 2.679 1.00 79.07 116 A 1 ATOM 969 N NE . ARG A 1 116 ? -0.895 -18.613 1.441 1.00 69.15 116 A 1 ATOM 970 C CZ . ARG A 1 116 ? -0.525 -19.018 0.228 1.00 62.29 116 A 1 ATOM 971 N NH1 . ARG A 1 116 ? 0.562 -19.753 0.077 1.00 56.71 116 A 1 ATOM 972 N NH2 . ARG A 1 116 ? -1.244 -18.682 -0.831 1.00 55.23 116 A 1 ATOM 973 N N . GLN A 1 117 ? 4.173 -16.243 3.212 1.00 95.27 117 A 1 ATOM 974 C CA . GLN A 1 117 ? 5.337 -16.612 4.013 1.00 95.18 117 A 1 ATOM 975 C C . GLN A 1 117 ? 5.806 -15.475 4.917 1.00 95.23 117 A 1 ATOM 976 O O . GLN A 1 117 ? 6.347 -15.715 5.997 1.00 94.28 117 A 1 ATOM 977 C CB . GLN A 1 117 ? 6.495 -17.046 3.109 1.00 94.41 117 A 1 ATOM 978 C CG . GLN A 1 117 ? 6.227 -18.303 2.302 1.00 83.52 117 A 1 ATOM 979 C CD . GLN A 1 117 ? 7.426 -18.721 1.475 1.00 80.26 117 A 1 ATOM 980 O OE1 . GLN A 1 117 ? 8.047 -17.893 0.806 1.00 73.76 117 A 1 ATOM 981 N NE2 . GLN A 1 117 ? 7.758 -20.008 1.517 1.00 70.53 117 A 1 ATOM 982 N N . HIS A 1 118 ? 5.592 -14.239 4.480 1.00 95.75 118 A 1 ATOM 983 C CA . HIS A 1 118 ? 6.007 -13.078 5.262 1.00 95.54 118 A 1 ATOM 984 C C . HIS A 1 118 ? 4.844 -12.376 5.957 1.00 95.82 118 A 1 ATOM 985 O O . HIS A 1 118 ? 4.941 -11.200 6.312 1.00 94.43 118 A 1 ATOM 986 C CB . HIS A 1 118 ? 6.750 -12.082 4.370 1.00 94.86 118 A 1 ATOM 987 C CG . HIS A 1 118 ? 8.055 -12.593 3.846 1.00 93.33 118 A 1 ATOM 988 N ND1 . HIS A 1 118 ? 8.149 -13.396 2.736 1.00 82.22 118 A 1 ATOM 989 C CD2 . HIS A 1 118 ? 9.319 -12.444 4.298 1.00 82.38 118 A 1 ATOM 990 C CE1 . HIS A 1 118 ? 9.411 -13.722 2.527 1.00 83.92 118 A 1 ATOM 991 N NE2 . HIS A 1 118 ? 10.147 -13.155 3.459 1.00 86.10 118 A 1 ATOM 992 N N . GLN A 1 119 ? 3.757 -13.092 6.171 1.00 94.17 119 A 1 ATOM 993 C CA . GLN A 1 119 ? 2.573 -12.534 6.823 1.00 93.25 119 A 1 ATOM 994 C C . GLN A 1 119 ? 2.890 -11.759 8.109 1.00 94.16 119 A 1 ATOM 995 O O . GLN A 1 119 ? 2.366 -10.662 8.318 1.00 93.24 119 A 1 ATOM 996 C CB . GLN A 1 119 ? 1.567 -13.647 7.118 1.00 90.48 119 A 1 ATOM 997 C CG . GLN A 1 119 ? 0.215 -13.158 7.603 1.00 77.16 119 A 1 ATOM 998 C CD . GLN A 1 119 ? -0.749 -14.293 7.875 1.00 71.42 119 A 1 ATOM 999 O OE1 . GLN A 1 119 ? -0.982 -15.142 7.015 1.00 64.18 119 A 1 ATOM 1000 N NE2 . GLN A 1 119 ? -1.311 -14.315 9.076 1.00 60.66 119 A 1 ATOM 1001 N N . PRO A 1 120 ? 3.749 -12.307 8.985 1.00 94.75 120 A 1 ATOM 1002 C CA . PRO A 1 120 ? 4.082 -11.607 10.238 1.00 95.07 120 A 1 ATOM 1003 C C . PRO A 1 120 ? 4.808 -10.278 10.037 1.00 95.67 120 A 1 ATOM 1004 O O . PRO A 1 120 ? 4.776 -9.411 10.912 1.00 93.90 120 A 1 ATOM 1005 C CB . PRO A 1 120 ? 4.970 -12.614 10.974 1.00 93.55 120 A 1 ATOM 1006 C CG . PRO A 1 120 ? 4.537 -13.935 10.419 1.00 90.31 120 A 1 ATOM 1007 C CD . PRO A 1 120 ? 4.361 -13.640 8.956 1.00 93.26 120 A 1 ATOM 1008 N N . SER A 1 121 ? 5.465 -10.116 8.884 1.00 96.99 121 A 1 ATOM 1009 C CA . SER A 1 121 ? 6.246 -8.912 8.606 1.00 97.28 121 A 1 ATOM 1010 C C . SER A 1 121 ? 5.567 -7.889 7.700 1.00 97.60 121 A 1 ATOM 1011 O O . SER A 1 121 ? 6.162 -6.866 7.360 1.00 96.82 121 A 1 ATOM 1012 C CB . SER A 1 121 ? 7.593 -9.295 7.991 1.00 96.41 121 A 1 ATOM 1013 O OG . SER A 1 121 ? 8.320 -10.156 8.846 1.00 89.85 121 A 1 ATOM 1014 N N . ILE A 1 122 ? 4.327 -8.151 7.308 1.00 98.00 122 A 1 ATOM 1015 C CA . ILE A 1 122 ? 3.596 -7.228 6.441 1.00 98.02 122 A 1 ATOM 1016 C C . ILE A 1 122 ? 2.138 -7.113 6.874 1.00 97.88 122 A 1 ATOM 1017 O O . ILE A 1 122 ? 1.661 -7.888 7.701 1.00 97.31 122 A 1 ATOM 1018 C CB . ILE A 1 122 ? 3.623 -7.697 4.965 1.00 97.81 122 A 1 ATOM 1019 C CG1 . ILE A 1 122 ? 2.849 -9.013 4.818 1.00 96.85 122 A 1 ATOM 1020 C CG2 . ILE A 1 122 ? 5.059 -7.867 4.490 1.00 95.98 122 A 1 ATOM 1021 C CD1 . ILE A 1 122 ? 2.744 -9.518 3.389 1.00 95.76 122 A 1 ATOM 1022 N N . THR A 1 123 ? 1.439 -6.128 6.318 1.00 97.76 123 A 1 ATOM 1023 C CA . THR A 1 123 ? 0.025 -5.936 6.608 1.00 97.72 123 A 1 ATOM 1024 C C . THR A 1 123 ? -0.718 -5.967 5.276 1.00 97.86 123 A 1 ATOM 1025 O O . THR A 1 123 ? -0.406 -5.199 4.371 1.00 97.53 123 A 1 ATOM 1026 C CB . THR A 1 123 ? -0.240 -4.584 7.300 1.00 97.32 123 A 1 ATOM 1027 O OG1 . THR A 1 123 ? 0.404 -4.565 8.577 1.00 95.00 123 A 1 ATOM 1028 C CG2 . THR A 1 123 ? -1.738 -4.374 7.500 1.00 95.26 123 A 1 ATOM 1029 N N . MET A 1 124 ? -1.692 -6.867 5.154 1.00 96.90 124 A 1 ATOM 1030 C CA . MET A 1 124 ? -2.477 -6.997 3.929 1.00 96.56 124 A 1 ATOM 1031 C C . MET A 1 124 ? -3.906 -6.527 4.192 1.00 96.81 124 A 1 ATOM 1032 O O . MET A 1 124 ? -4.553 -6.985 5.134 1.00 96.21 124 A 1 ATOM 1033 C CB . MET A 1 124 ? -2.510 -8.456 3.466 1.00 95.25 124 A 1 ATOM 1034 C CG . MET A 1 124 ? -1.158 -9.035 3.074 1.00 86.47 124 A 1 ATOM 1035 S SD . MET A 1 124 ? -0.509 -8.339 1.534 1.00 79.98 124 A 1 ATOM 1036 C CE . MET A 1 124 ? -1.634 -9.064 0.327 1.00 68.90 124 A 1 ATOM 1037 N N . ILE A 1 125 ? -4.393 -5.594 3.368 1.00 97.37 125 A 1 ATOM 1038 C CA . ILE A 1 125 ? -5.756 -5.092 3.519 1.00 97.57 125 A 1 ATOM 1039 C C . ILE A 1 125 ? -6.441 -5.149 2.156 1.00 97.54 125 A 1 ATOM 1040 O O . ILE A 1 125 ? -5.883 -4.710 1.154 1.00 97.37 125 A 1 ATOM 1041 C CB . ILE A 1 125 ? -5.778 -3.636 4.039 1.00 97.69 125 A 1 ATOM 1042 C CG1 . ILE A 1 125 ? -4.904 -3.508 5.292 1.00 95.76 125 A 1 ATOM 1043 C CG2 . ILE A 1 125 ? -7.214 -3.232 4.370 1.00 94.34 125 A 1 ATOM 1044 C CD1 . ILE A 1 125 ? -4.829 -2.100 5.853 1.00 95.08 125 A 1 ATOM 1045 N N . THR A 1 126 ? -7.651 -5.698 2.118 1.00 97.26 126 A 1 ATOM 1046 C CA . THR A 1 126 ? -8.387 -5.849 0.867 1.00 97.39 126 A 1 ATOM 1047 C C . THR A 1 126 ? -9.445 -4.771 0.659 1.00 97.86 126 A 1 ATOM 1048 O O . THR A 1 126 ? -10.236 -4.480 1.559 1.00 97.84 126 A 1 ATOM 1049 C CB . THR A 1 126 ? -9.073 -7.226 0.807 1.00 96.48 126 A 1 ATOM 1050 O OG1 . THR A 1 126 ? -8.090 -8.255 0.951 1.00 92.11 126 A 1 ATOM 1051 C CG2 . THR A 1 126 ? -9.796 -7.409 -0.524 1.00 92.17 126 A 1 ATOM 1052 N N . TRP A 1 127 ? -9.443 -4.175 -0.537 1.00 97.94 127 A 1 ATOM 1053 C CA . TRP A 1 127 ? -10.416 -3.155 -0.901 1.00 98.12 127 A 1 ATOM 1054 C C . TRP A 1 127 ? -11.470 -3.788 -1.799 1.00 97.96 127 A 1 ATOM 1055 O O . TRP A 1 127 ? -11.146 -4.358 -2.844 1.00 97.54 127 A 1 ATOM 1056 C CB . TRP A 1 127 ? -9.750 -1.993 -1.646 1.00 98.19 127 A 1 ATOM 1057 C CG . TRP A 1 127 ? -10.746 -1.033 -2.237 1.00 98.29 127 A 1 ATOM 1058 C CD1 . TRP A 1 127 ? -11.291 -1.079 -3.492 1.00 97.83 127 A 1 ATOM 1059 C CD2 . TRP A 1 127 ? -11.374 0.075 -1.573 1.00 98.19 127 A 1 ATOM 1060 N NE1 . TRP A 1 127 ? -12.211 -0.064 -3.652 1.00 97.60 127 A 1 ATOM 1061 C CE2 . TRP A 1 127 ? -12.284 0.661 -2.489 1.00 97.92 127 A 1 ATOM 1062 C CE3 . TRP A 1 127 ? -11.254 0.631 -0.293 1.00 97.83 127 A 1 ATOM 1063 C CZ2 . TRP A 1 127 ? -13.069 1.773 -2.161 1.00 97.53 127 A 1 ATOM 1064 C CZ3 . TRP A 1 127 ? -12.033 1.740 0.029 1.00 97.37 127 A 1 ATOM 1065 C CH2 . TRP A 1 127 ? -12.930 2.298 -0.901 1.00 97.32 127 A 1 ATOM 1066 N N . GLY A 1 128 ? -12.732 -3.688 -1.402 1.00 97.02 128 A 1 ATOM 1067 C CA . GLY A 1 128 ? -13.831 -4.245 -2.171 1.00 96.58 128 A 1 ATOM 1068 C C . GLY A 1 128 ? -14.948 -3.235 -2.339 1.00 96.99 128 A 1 ATOM 1069 O O . GLY A 1 128 ? -14.847 -2.105 -1.864 1.00 96.07 128 A 1 ATOM 1070 N N . ALA A 1 129 ? -16.028 -3.637 -3.019 1.00 92.53 129 A 1 ATOM 1071 C CA . ALA A 1 129 ? -17.160 -2.749 -3.267 1.00 90.99 129 A 1 ATOM 1072 C C . ALA A 1 129 ? -17.800 -2.267 -1.967 1.00 91.16 129 A 1 ATOM 1073 O O . ALA A 1 129 ? -18.365 -1.174 -1.912 1.00 87.08 129 A 1 ATOM 1074 C CB . ALA A 1 129 ? -18.197 -3.464 -4.128 1.00 87.28 129 A 1 ATOM 1075 N N . HIS A 1 130 ? -17.699 -3.074 -0.922 1.00 93.10 130 A 1 ATOM 1076 C CA . HIS A 1 130 ? -18.273 -2.747 0.381 1.00 93.72 130 A 1 ATOM 1077 C C . HIS A 1 130 ? -17.386 -1.840 1.229 1.00 95.43 130 A 1 ATOM 1078 O O . HIS A 1 130 ? -17.777 -1.440 2.327 1.00 93.83 130 A 1 ATOM 1079 C CB . HIS A 1 130 ? -18.533 -4.041 1.159 1.00 90.40 130 A 1 ATOM 1080 C CG . HIS A 1 130 ? -17.291 -4.859 1.374 1.00 84.25 130 A 1 ATOM 1081 N ND1 . HIS A 1 130 ? -16.610 -5.477 0.348 1.00 71.71 130 A 1 ATOM 1082 C CD2 . HIS A 1 130 ? -16.592 -5.125 2.500 1.00 71.39 130 A 1 ATOM 1083 C CE1 . HIS A 1 130 ? -15.546 -6.093 0.828 1.00 69.29 130 A 1 ATOM 1084 N NE2 . HIS A 1 130 ? -15.507 -5.900 2.134 1.00 70.26 130 A 1 ATOM 1085 N N . SER A 1 131 ? -16.189 -1.533 0.730 1.00 97.01 131 A 1 ATOM 1086 C CA . SER A 1 131 ? -15.226 -0.739 1.492 1.00 97.56 131 A 1 ATOM 1087 C C . SER A 1 131 ? -15.393 0.777 1.430 1.00 97.45 131 A 1 ATOM 1088 O O . SER A 1 131 ? -14.803 1.494 2.238 1.00 96.68 131 A 1 ATOM 1089 C CB . SER A 1 131 ? -13.804 -1.096 1.052 1.00 97.53 131 A 1 ATOM 1090 O OG . SER A 1 131 ? -13.554 -2.485 1.195 1.00 96.79 131 A 1 ATOM 1091 N N . MET A 1 132 ? -16.194 1.259 0.491 1.00 96.56 132 A 1 ATOM 1092 C CA . MET A 1 132 ? -16.364 2.702 0.314 1.00 95.51 132 A 1 ATOM 1093 C C . MET A 1 132 ? -16.824 3.461 1.564 1.00 95.32 132 A 1 ATOM 1094 O O . MET A 1 132 ? -16.300 4.530 1.875 1.00 93.93 132 A 1 ATOM 1095 C CB . MET A 1 132 ? -17.344 2.981 -0.831 1.00 93.46 132 A 1 ATOM 1096 C CG . MET A 1 132 ? -17.420 4.445 -1.241 1.00 83.80 132 A 1 ATOM 1097 S SD . MET A 1 132 ? -15.872 5.046 -1.979 1.00 78.57 132 A 1 ATOM 1098 C CE . MET A 1 132 ? -16.057 4.468 -3.670 1.00 69.08 132 A 1 ATOM 1099 N N . THR A 1 133 ? -17.796 2.924 2.280 1.00 95.54 133 A 1 ATOM 1100 C CA . THR A 1 133 ? -18.308 3.596 3.473 1.00 95.81 133 A 1 ATOM 1101 C C . THR A 1 133 ? -17.208 3.802 4.524 1.00 96.16 133 A 1 ATOM 1102 O O . THR A 1 133 ? -16.381 2.920 4.752 1.00 95.52 133 A 1 ATOM 1103 C CB . THR A 1 133 ? -19.475 2.808 4.112 1.00 94.32 133 A 1 ATOM 1104 O OG1 . THR A 1 133 ? -19.885 3.472 5.320 1.00 83.96 133 A 1 ATOM 1105 C CG2 . THR A 1 133 ? -19.048 1.387 4.444 1.00 82.60 133 A 1 ATOM 1106 N N . PRO A 1 134 ? -17.198 4.967 5.173 1.00 94.27 134 A 1 ATOM 1107 C CA . PRO A 1 134 ? -16.188 5.293 6.192 1.00 93.35 134 A 1 ATOM 1108 C C . PRO A 1 134 ? -16.106 4.299 7.348 1.00 93.87 134 A 1 ATOM 1109 O O . PRO A 1 134 ? -15.065 4.185 7.997 1.00 92.38 134 A 1 ATOM 1110 C CB . PRO A 1 134 ? -16.620 6.684 6.665 1.00 91.34 134 A 1 ATOM 1111 C CG . PRO A 1 134 ? -17.263 7.276 5.452 1.00 88.99 134 A 1 ATOM 1112 C CD . PRO A 1 134 ? -18.075 6.119 4.915 1.00 92.29 134 A 1 ATOM 1113 N N . SER A 1 135 ? -17.195 3.587 7.610 1.00 94.81 135 A 1 ATOM 1114 C CA . SER A 1 135 ? -17.234 2.629 8.711 1.00 95.20 135 A 1 ATOM 1115 C C . SER A 1 135 ? -16.896 1.200 8.282 1.00 95.88 135 A 1 ATOM 1116 O O . SER A 1 135 ? -17.036 0.265 9.070 1.00 94.78 135 A 1 ATOM 1117 C CB . SER A 1 135 ? -18.619 2.648 9.365 1.00 94.00 135 A 1 ATOM 1118 O OG . SER A 1 135 ? -19.618 2.261 8.441 1.00 89.38 135 A 1 ATOM 1119 N N . SER A 1 136 ? -16.445 1.021 7.045 1.00 96.95 136 A 1 ATOM 1120 C CA . SER A 1 136 ? -16.114 -0.307 6.536 1.00 97.34 136 A 1 ATOM 1121 C C . SER A 1 136 ? -14.886 -0.901 7.220 1.00 97.63 136 A 1 ATOM 1122 O O . SER A 1 136 ? -14.097 -0.188 7.846 1.00 97.47 136 A 1 ATOM 1123 C CB . SER A 1 136 ? -15.857 -0.252 5.027 1.00 97.07 136 A 1 ATOM 1124 O OG . SER A 1 136 ? -14.635 0.409 4.743 1.00 96.20 136 A 1 ATOM 1125 N N . GLY A 1 137 ? -14.737 -2.224 7.085 1.00 97.41 137 A 1 ATOM 1126 C CA . GLY A 1 137 ? -13.600 -2.904 7.683 1.00 97.13 137 A 1 ATOM 1127 C C . GLY A 1 137 ? -12.275 -2.430 7.117 1.00 97.52 137 A 1 ATOM 1128 O O . GLY A 1 137 ? -11.268 -2.400 7.827 1.00 97.03 137 A 1 ATOM 1129 N N . PHE A 1 138 ? -12.271 -2.047 5.838 1.00 97.78 138 A 1 ATOM 1130 C CA . PHE A 1 138 ? -11.053 -1.564 5.191 1.00 98.04 138 A 1 ATOM 1131 C C . PHE A 1 138 ? -10.465 -0.368 5.936 1.00 97.97 138 A 1 ATOM 1132 O O . PHE A 1 138 ? -9.291 -0.371 6.309 1.00 97.85 138 A 1 ATOM 1133 C CB . PHE A 1 138 ? -11.333 -1.158 3.743 1.00 98.09 138 A 1 ATOM 1134 C CG . PHE A 1 138 ? -10.148 -0.523 3.056 1.00 98.34 138 A 1 ATOM 1135 C CD1 . PHE A 1 138 ? -9.163 -1.307 2.461 1.00 98.20 138 A 1 ATOM 1136 C CD2 . PHE A 1 138 ? -9.995 0.861 3.039 1.00 98.15 138 A 1 ATOM 1137 C CE1 . PHE A 1 138 ? -8.048 -0.725 1.863 1.00 97.99 138 A 1 ATOM 1138 C CE2 . PHE A 1 138 ? -8.880 1.451 2.445 1.00 97.91 138 A 1 ATOM 1139 C CZ . PHE A 1 138 ? -7.906 0.655 1.859 1.00 98.09 138 A 1 ATOM 1140 N N . TRP A 1 139 ? -11.288 0.654 6.153 1.00 97.84 139 A 1 ATOM 1141 C CA . TRP A 1 139 ? -10.813 1.859 6.822 1.00 97.57 139 A 1 ATOM 1142 C C . TRP A 1 139 ? -10.452 1.603 8.283 1.00 97.15 139 A 1 ATOM 1143 O O . TRP A 1 139 ? -9.503 2.190 8.799 1.00 96.63 139 A 1 ATOM 1144 C CB . TRP A 1 139 ? -11.858 2.972 6.718 1.00 97.41 139 A 1 ATOM 1145 C CG . TRP A 1 139 ? -12.126 3.401 5.301 1.00 97.70 139 A 1 ATOM 1146 C CD1 . TRP A 1 139 ? -13.286 3.250 4.601 1.00 97.14 139 A 1 ATOM 1147 C CD2 . TRP A 1 139 ? -11.194 4.022 4.398 1.00 97.85 139 A 1 ATOM 1148 N NE1 . TRP A 1 139 ? -13.139 3.737 3.321 1.00 97.10 139 A 1 ATOM 1149 C CE2 . TRP A 1 139 ? -11.867 4.216 3.167 1.00 97.53 139 A 1 ATOM 1150 C CE3 . TRP A 1 139 ? -9.859 4.434 4.507 1.00 97.61 139 A 1 ATOM 1151 C CZ2 . TRP A 1 139 ? -11.244 4.801 2.057 1.00 97.23 139 A 1 ATOM 1152 C CZ3 . TRP A 1 139 ? -9.243 5.017 3.398 1.00 97.31 139 A 1 ATOM 1153 C CH2 . TRP A 1 139 ? -9.937 5.193 2.191 1.00 97.28 139 A 1 ATOM 1154 N N . LYS A 1 140 ? -11.185 0.725 8.944 1.00 97.28 140 A 1 ATOM 1155 C CA . LYS A 1 140 ? -10.898 0.394 10.335 1.00 96.79 140 A 1 ATOM 1156 C C . LYS A 1 140 ? -9.544 -0.305 10.443 1.00 96.50 140 A 1 ATOM 1157 O O . LYS A 1 140 ? -8.751 -0.003 11.334 1.00 95.98 140 A 1 ATOM 1158 C CB . LYS A 1 140 ? -11.996 -0.501 10.909 1.00 96.36 140 A 1 ATOM 1159 C CG . LYS A 1 140 ? -13.330 0.209 11.101 1.00 91.07 140 A 1 ATOM 1160 C CD . LYS A 1 140 ? -14.374 -0.715 11.706 1.00 86.84 140 A 1 ATOM 1161 C CE . LYS A 1 140 ? -15.692 0.011 11.926 1.00 78.64 140 A 1 ATOM 1162 N NZ . LYS A 1 140 ? -16.735 -0.883 12.504 1.00 70.70 140 A 1 ATOM 1163 N N . GLU A 1 141 ? -9.282 -1.242 9.527 1.00 97.35 141 A 1 ATOM 1164 C CA . GLU A 1 141 ? -8.014 -1.969 9.523 1.00 97.17 141 A 1 ATOM 1165 C C . GLU A 1 141 ? -6.850 -1.032 9.215 1.00 97.07 141 A 1 ATOM 1166 O O . GLU A 1 141 ? -5.799 -1.101 9.854 1.00 96.63 141 A 1 ATOM 1167 C CB . GLU A 1 141 ? -8.052 -3.097 8.486 1.00 96.90 141 A 1 ATOM 1168 C CG . GLU A 1 141 ? -8.998 -4.236 8.830 1.00 89.16 141 A 1 ATOM 1169 C CD . GLU A 1 141 ? -9.018 -5.307 7.752 1.00 84.27 141 A 1 ATOM 1170 O OE1 . GLU A 1 141 ? -7.940 -5.851 7.434 1.00 78.74 141 A 1 ATOM 1171 O OE2 . GLU A 1 141 ? -10.110 -5.600 7.224 1.00 79.00 141 A 1 ATOM 1172 N N . LEU A 1 142 ? -7.049 -0.154 8.245 1.00 97.49 142 A 1 ATOM 1173 C CA . LEU A 1 142 ? -5.999 0.786 7.859 1.00 97.58 142 A 1 ATOM 1174 C C . LEU A 1 142 ? -5.693 1.750 9.005 1.00 97.20 142 A 1 ATOM 1175 O O . LEU A 1 142 ? -4.532 2.060 9.275 1.00 96.81 142 A 1 ATOM 1176 C CB . LEU A 1 142 ? -6.422 1.565 6.607 1.00 97.77 142 A 1 ATOM 1177 C CG . LEU A 1 142 ? -5.396 2.537 6.014 1.00 97.61 142 A 1 ATOM 1178 C CD1 . LEU A 1 142 ? -4.088 1.816 5.712 1.00 97.31 142 A 1 ATOM 1179 C CD2 . LEU A 1 142 ? -5.972 3.145 4.736 1.00 97.26 142 A 1 ATOM 1180 N N . ALA A 1 143 ? -6.727 2.213 9.683 1.00 96.78 143 A 1 ATOM 1181 C CA . ALA A 1 143 ? -6.548 3.140 10.800 1.00 96.06 143 A 1 ATOM 1182 C C . ALA A 1 143 ? -5.729 2.515 11.931 1.00 95.73 143 A 1 ATOM 1183 O O . ALA A 1 143 ? -4.959 3.205 12.600 1.00 94.79 143 A 1 ATOM 1184 C CB . ALA A 1 143 ? -7.907 3.588 11.327 1.00 95.24 143 A 1 ATOM 1185 N N . LEU A 1 144 ? -5.892 1.216 12.134 1.00 95.85 144 A 1 ATOM 1186 C CA . LEU A 1 144 ? -5.172 0.514 13.195 1.00 95.43 144 A 1 ATOM 1187 C C . LEU A 1 144 ? -3.662 0.450 12.970 1.00 95.16 144 A 1 ATOM 1188 O O . LEU A 1 144 ? -2.892 0.441 13.931 1.00 93.80 144 A 1 ATOM 1189 C CB . LEU A 1 144 ? -5.710 -0.912 13.353 1.00 94.72 144 A 1 ATOM 1190 C CG . LEU A 1 144 ? -7.100 -1.079 13.968 1.00 86.38 144 A 1 ATOM 1191 C CD1 . LEU A 1 144 ? -7.502 -2.546 13.929 1.00 83.58 144 A 1 ATOM 1192 C CD2 . LEU A 1 144 ? -7.089 -0.571 15.407 1.00 82.73 144 A 1 ATOM 1193 N N . VAL A 1 145 ? -3.235 0.396 11.700 1.00 96.41 145 A 1 ATOM 1194 C CA . VAL A 1 145 ? -1.808 0.297 11.394 1.00 96.35 145 A 1 ATOM 1195 C C . VAL A 1 145 ? -1.140 1.629 11.060 1.00 96.25 145 A 1 ATOM 1196 O O . VAL A 1 145 ? 0.084 1.701 10.957 1.00 95.38 145 A 1 ATOM 1197 C CB . VAL A 1 145 ? -1.556 -0.696 10.236 1.00 96.14 145 A 1 ATOM 1198 C CG1 . VAL A 1 145 ? -1.993 -2.095 10.662 1.00 93.24 145 A 1 ATOM 1199 C CG2 . VAL A 1 145 ? -2.302 -0.260 8.984 1.00 93.51 145 A 1 ATOM 1200 N N . MET A 1 146 ? -1.927 2.683 10.903 1.00 95.84 146 A 1 ATOM 1201 C CA . MET A 1 146 ? -1.380 4.003 10.611 1.00 95.68 146 A 1 ATOM 1202 C C . MET A 1 146 ? -1.007 4.689 11.930 1.00 94.87 146 A 1 ATOM 1203 O O . MET A 1 146 ? -1.588 4.393 12.972 1.00 93.67 146 A 1 ATOM 1204 C CB . MET A 1 146 ? -2.402 4.853 9.860 1.00 95.65 146 A 1 ATOM 1205 C CG . MET A 1 146 ? -2.606 4.445 8.402 1.00 94.48 146 A 1 ATOM 1206 S SD . MET A 1 146 ? -1.138 4.729 7.377 1.00 94.59 146 A 1 ATOM 1207 C CE . MET A 1 146 ? -1.200 6.516 7.185 1.00 91.11 146 A 1 ATOM 1208 N N . PRO A 1 147 ? -0.036 5.604 11.900 1.00 94.60 147 A 1 ATOM 1209 C CA . PRO A 1 147 ? 0.357 6.292 13.133 1.00 92.96 147 A 1 ATOM 1210 C C . PRO A 1 147 ? -0.771 7.188 13.636 1.00 91.25 147 A 1 ATOM 1211 O O . PRO A 1 147 ? -1.678 7.541 12.883 1.00 86.26 147 A 1 ATOM 1212 C CB . PRO A 1 147 ? 1.587 7.092 12.700 1.00 91.11 147 A 1 ATOM 1213 C CG . PRO A 1 147 ? 1.321 7.371 11.255 1.00 90.63 147 A 1 ATOM 1214 C CD . PRO A 1 147 ? 0.773 6.061 10.754 1.00 93.78 147 A 1 ATOM 1215 N N . ARG A 1 148 ? -0.712 7.547 14.926 1.00 87.44 148 A 1 ATOM 1216 C CA . ARG A 1 148 ? -1.751 8.393 15.504 1.00 84.14 148 A 1 ATOM 1217 C C . ARG A 1 148 ? -1.778 9.751 14.818 1.00 80.99 148 A 1 ATOM 1218 O O . ARG A 1 148 ? -0.790 10.177 14.223 1.00 70.52 148 A 1 ATOM 1219 C CB . ARG A 1 148 ? -1.512 8.585 17.002 1.00 77.72 148 A 1 ATOM 1220 C CG . ARG A 1 148 ? -0.312 9.468 17.340 1.00 66.08 148 A 1 ATOM 1221 C CD . ARG A 1 148 ? -0.148 9.608 18.847 1.00 61.55 148 A 1 ATOM 1222 N NE . ARG A 1 148 ? 0.963 10.486 19.211 1.00 53.49 148 A 1 ATOM 1223 C CZ . ARG A 1 148 ? 0.913 11.813 19.143 1.00 46.95 148 A 1 ATOM 1224 N NH1 . ARG A 1 148 ? -0.187 12.426 18.732 1.00 44.07 148 A 1 ATOM 1225 N NH2 . ARG A 1 148 ? 1.972 12.534 19.485 1.00 40.90 148 A 1 ATOM 1226 N N . LYS A 1 149 ? -2.910 10.425 14.900 1.00 74.82 149 A 1 ATOM 1227 C CA . LYS A 1 149 ? -3.050 11.742 14.290 1.00 71.10 149 A 1 ATOM 1228 C C . LYS A 1 149 ? -2.201 12.759 15.050 1.00 68.05 149 A 1 ATOM 1229 O O . LYS A 1 149 ? -2.098 12.699 16.277 1.00 60.09 149 A 1 ATOM 1230 C CB . LYS A 1 149 ? -4.513 12.195 14.311 1.00 64.77 149 A 1 ATOM 1231 C CG . LYS A 1 149 ? -5.460 11.310 13.518 1.00 59.16 149 A 1 ATOM 1232 C CD . LYS A 1 149 ? -6.884 11.829 13.598 1.00 55.63 149 A 1 ATOM 1233 C CE . LYS A 1 149 ? -7.845 10.940 12.831 1.00 50.40 149 A 1 ATOM 1234 N NZ . LYS A 1 149 ? -9.245 11.437 12.901 1.00 46.74 149 A 1 ATOM 1235 N N . HIS A 1 150 ? -1.591 13.686 14.315 1.00 55.07 150 A 1 ATOM 1236 C CA . HIS A 1 150 ? -0.784 14.741 14.923 1.00 52.99 150 A 1 ATOM 1237 C C . HIS A 1 150 ? -1.386 16.085 14.528 1.00 51.80 150 A 1 ATOM 1238 O O . HIS A 1 150 ? -1.769 16.288 13.379 1.00 48.08 150 A 1 ATOM 1239 C CB . HIS A 1 150 ? 0.674 14.659 14.457 1.00 49.30 150 A 1 ATOM 1240 C CG . HIS A 1 150 ? 1.387 13.432 14.940 1.00 46.58 150 A 1 ATOM 1241 N ND1 . HIS A 1 150 ? 1.254 12.206 14.332 1.00 43.79 150 A 1 ATOM 1242 C CD2 . HIS A 1 150 ? 2.228 13.246 15.980 1.00 42.34 150 A 1 ATOM 1243 C CE1 . HIS A 1 150 ? 1.979 11.315 14.977 1.00 41.41 150 A 1 ATOM 1244 N NE2 . HIS A 1 150 ? 2.584 11.916 15.986 1.00 40.90 150 A 1 ATOM 1245 N N . HIS A 1 151 ? -1.460 16.996 15.490 1.00 50.41 151 A 1 ATOM 1246 C CA . HIS A 1 151 ? -2.045 18.307 15.242 1.00 49.89 151 A 1 ATOM 1247 C C . HIS A 1 151 ? -1.064 19.459 15.405 1.00 49.06 151 A 1 ATOM 1248 O O . HIS A 1 151 ? -1.467 20.615 15.541 1.00 46.00 151 A 1 ATOM 1249 C CB . HIS A 1 151 ? -3.242 18.514 16.176 1.00 46.64 151 A 1 ATOM 1250 C CG . HIS A 1 151 ? -4.262 17.422 16.090 1.00 43.70 151 A 1 ATOM 1251 N ND1 . HIS A 1 151 ? -5.061 17.243 14.985 1.00 40.79 151 A 1 ATOM 1252 C CD2 . HIS A 1 151 ? -4.588 16.439 16.953 1.00 39.57 151 A 1 ATOM 1253 C CE1 . HIS A 1 151 ? -5.838 16.188 15.169 1.00 38.66 151 A 1 ATOM 1254 N NE2 . HIS A 1 151 ? -5.570 15.678 16.358 1.00 38.37 151 A 1 ATOM 1255 N N . HIS A 1 152 ? 0.238 19.146 15.383 1.00 47.22 152 A 1 ATOM 1256 C CA . HIS A 1 152 ? 1.270 20.172 15.516 1.00 47.66 152 A 1 ATOM 1257 C C . HIS A 1 152 ? 1.735 20.667 14.150 1.00 46.77 152 A 1 ATOM 1258 O O . HIS A 1 152 ? 1.582 19.980 13.144 1.00 43.95 152 A 1 ATOM 1259 C CB . HIS A 1 152 ? 2.473 19.616 16.284 1.00 45.32 152 A 1 ATOM 1260 C CG . HIS A 1 152 ? 3.106 18.428 15.628 1.00 42.12 152 A 1 ATOM 1261 N ND1 . HIS A 1 152 ? 2.596 17.159 15.750 1.00 39.14 152 A 1 ATOM 1262 C CD2 . HIS A 1 152 ? 4.188 18.325 14.828 1.00 38.11 152 A 1 ATOM 1263 C CE1 . HIS A 1 152 ? 3.334 16.318 15.051 1.00 37.01 152 A 1 ATOM 1264 N NE2 . HIS A 1 152 ? 4.312 17.000 14.476 1.00 36.87 152 A 1 ATOM 1265 N N . HIS A 1 153 ? 2.297 21.869 14.133 1.00 45.77 153 A 1 ATOM 1266 C CA . HIS A 1 153 ? 2.799 22.467 12.901 1.00 46.67 153 A 1 ATOM 1267 C C . HIS A 1 153 ? 4.304 22.711 12.961 1.00 45.71 153 A 1 ATOM 1268 O O . HIS A 1 153 ? 4.910 23.168 11.989 1.00 42.72 153 A 1 ATOM 1269 C CB . HIS A 1 153 ? 2.077 23.792 12.633 1.00 44.57 153 A 1 ATOM 1270 C CG . HIS A 1 153 ? 0.606 23.640 12.396 1.00 40.93 153 A 1 ATOM 1271 N ND1 . HIS A 1 153 ? 0.095 23.046 11.266 1.00 37.86 153 A 1 ATOM 1272 C CD2 . HIS A 1 153 ? -0.456 23.995 13.148 1.00 37.06 153 A 1 ATOM 1273 C CE1 . HIS A 1 153 ? -1.222 23.035 11.335 1.00 36.07 153 A 1 ATOM 1274 N NE2 . HIS A 1 153 ? -1.589 23.605 12.469 1.00 36.18 153 A 1 ATOM 1275 N N . HIS A 1 154 ? 4.913 22.400 14.109 1.00 42.37 154 A 1 ATOM 1276 C CA . HIS A 1 154 ? 6.348 22.601 14.301 1.00 43.93 154 A 1 ATOM 1277 C C . HIS A 1 154 ? 6.967 21.409 15.017 1.00 43.16 154 A 1 ATOM 1278 O O . HIS A 1 154 ? 6.286 20.696 15.755 1.00 40.18 154 A 1 ATOM 1279 C CB . HIS A 1 154 ? 6.590 23.875 15.123 1.00 42.04 154 A 1 ATOM 1280 C CG . HIS A 1 154 ? 5.993 25.109 14.513 1.00 38.55 154 A 1 ATOM 1281 N ND1 . HIS A 1 154 ? 6.529 25.731 13.409 1.00 35.53 154 A 1 ATOM 1282 C CD2 . HIS A 1 154 ? 4.895 25.819 14.851 1.00 35.18 154 A 1 ATOM 1283 C CE1 . HIS A 1 154 ? 5.786 26.776 13.087 1.00 34.54 154 A 1 ATOM 1284 N NE2 . HIS A 1 154 ? 4.781 26.855 13.943 1.00 35.04 154 A 1 ATOM 1285 N N . HIS A 1 155 ? 8.270 21.186 14.782 1.00 39.11 155 A 1 ATOM 1286 C CA . HIS A 1 155 ? 8.991 20.078 15.410 1.00 40.80 155 A 1 ATOM 1287 C C . HIS A 1 155 ? 10.110 20.608 16.302 1.00 38.63 155 A 1 ATOM 1288 O O . HIS A 1 155 ? 10.227 20.150 17.445 1.00 35.03 155 A 1 ATOM 1289 C CB . HIS A 1 155 ? 9.569 19.126 14.355 1.00 38.58 155 A 1 ATOM 1290 C CG . HIS A 1 155 ? 8.530 18.456 13.509 1.00 36.46 155 A 1 ATOM 1291 N ND1 . HIS A 1 155 ? 7.865 19.097 12.507 1.00 31.82 155 A 1 ATOM 1292 C CD2 . HIS A 1 155 ? 8.049 17.189 13.544 1.00 30.80 155 A 1 ATOM 1293 C CE1 . HIS A 1 155 ? 7.005 18.263 11.952 1.00 30.85 155 A 1 ATOM 1294 N NE2 . HIS A 1 155 ? 7.099 17.091 12.560 1.00 32.79 155 A 1 ATOM 1295 O OXT . HIS A 1 155 ? 10.899 21.453 15.826 1.00 31.30 155 A 1 #