# 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 89.04 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 63.30 1 1 A LYS 2 2 74.48 1 2 A MET 3 2 80.85 1 3 A TYR 4 2 94.40 1 4 A ASP 5 2 95.74 1 5 A ALA 6 2 97.23 1 6 A TYR 7 2 91.49 1 7 A ILE 8 2 97.45 1 8 A SER 9 2 98.30 1 9 A TYR 10 2 98.12 1 10 A VAL 11 2 95.78 1 11 A ASN 12 2 93.58 1 12 A ASN 13 2 93.19 1 13 A GLU 14 2 90.76 1 14 A ASN 15 2 87.49 1 15 A ASP 16 2 97.28 1 16 A ARG 17 2 87.01 1 17 A LYS 18 2 92.26 1 18 A PHE 19 2 98.06 1 19 A VAL 20 2 98.31 1 20 A ASN 21 2 93.97 1 21 A PHE 22 2 93.37 1 22 A ILE 23 2 97.23 1 23 A LEU 24 2 97.88 1 24 A LYS 25 2 93.70 1 25 A PRO 26 2 97.12 1 26 A HIS 27 2 90.33 1 27 A LEU 28 2 96.65 1 28 A GLU 29 2 95.74 1 29 A ASN 30 2 92.32 1 30 A LYS 31 2 84.41 1 31 A TYR 32 2 86.73 1 32 A SER 33 2 92.88 1 33 A HIS 34 2 93.59 1 34 A LYS 35 2 87.98 1 35 A LEU 36 2 97.22 1 36 A LEU 37 2 93.66 1 37 A LEU 38 2 95.18 1 38 A ASN 39 2 91.34 1 39 A ASP 40 2 95.83 1 40 A THR 41 2 92.70 1 41 A ASN 42 2 94.58 1 42 A ILE 43 2 95.88 1 43 A LEU 44 2 96.58 1 44 A PRO 45 2 95.43 1 45 A GLY 46 2 94.28 1 46 A ALA 47 2 94.47 1 47 A GLU 48 2 92.23 1 48 A PRO 49 2 97.10 1 49 A SER 50 2 96.86 1 50 A ALA 51 2 96.26 1 51 A GLU 52 2 86.09 1 52 A LEU 53 2 96.20 1 53 A LEU 54 2 95.32 1 54 A MET 55 2 85.97 1 55 A ASN 56 2 90.62 1 56 A ILE 57 2 88.61 1 57 A SER 58 2 92.15 1 58 A ARG 59 2 86.43 1 59 A CYS 60 2 95.49 1 60 A GLN 61 2 90.07 1 61 A ARG 62 2 92.38 1 62 A LEU 63 2 97.53 1 63 A ILE 64 2 98.29 1 64 A VAL 65 2 98.28 1 65 A VAL 66 2 98.38 1 66 A LEU 67 2 96.16 1 67 A SER 68 2 97.43 1 68 A GLN 69 2 84.31 1 69 A SER 70 2 94.92 1 70 A TYR 71 2 97.47 1 71 A LEU 72 2 95.86 1 72 A GLU 73 2 90.92 1 73 A GLN 74 2 93.82 1 74 A GLU 75 2 85.46 1 75 A TRP 76 2 95.35 1 76 A CYS 77 2 95.62 1 77 A THR 78 2 92.96 1 78 A THR 79 2 91.12 1 79 A ASN 80 2 88.14 1 80 A PHE 81 2 96.07 1 81 A ARG 82 2 82.02 1 82 A GLN 83 2 88.32 1 83 A GLY 84 2 97.57 1 84 A LEU 85 2 96.87 1 85 A TRP 86 2 78.14 1 86 A HIS 87 2 94.50 1 87 A LEU 88 2 97.41 1 88 A ILE 89 2 96.69 1 89 A GLU 90 2 85.29 1 90 A LEU 91 2 94.67 1 91 A SER 92 2 88.90 1 92 A ARG 93 2 67.81 1 93 A LYS 94 2 90.80 1 94 A PRO 95 2 97.28 1 95 A ILE 96 2 98.12 1 96 A PHE 97 2 97.22 1 97 A ILE 98 2 98.17 1 98 A ILE 99 2 91.53 1 99 A PHE 100 2 96.82 1 100 A GLN 101 2 88.99 1 101 A SER 102 2 93.59 1 102 A GLN 103 2 91.86 1 103 A GLN 104 2 81.09 1 104 A LYS 105 2 81.24 1 105 A GLN 106 2 82.15 1 106 A ILE 107 2 89.41 1 107 A SER 108 2 91.31 1 108 A GLN 109 2 83.21 1 109 A ASP 110 2 85.78 1 110 A ILE 111 2 94.24 1 111 A SER 112 2 91.36 1 112 A GLN 113 2 85.08 1 113 A GLN 114 2 89.52 1 114 A LEU 115 2 95.14 1 115 A ARG 116 2 78.92 1 116 A GLN 117 2 86.66 1 117 A HIS 118 2 90.19 1 118 A GLN 119 2 82.05 1 119 A PRO 120 2 93.50 1 120 A SER 121 2 95.52 1 121 A ILE 122 2 96.98 1 122 A THR 123 2 96.76 1 123 A MET 124 2 89.48 1 124 A ILE 125 2 96.53 1 125 A THR 126 2 95.84 1 126 A TRP 127 2 97.68 1 127 A GLY 128 2 96.71 1 128 A ALA 129 2 92.24 1 129 A HIS 130 2 85.06 1 130 A SER 131 2 97.11 1 131 A MET 132 2 88.47 1 132 A THR 133 2 92.07 1 133 A PRO 134 2 92.45 1 134 A SER 135 2 94.06 1 135 A SER 136 2 97.07 1 136 A GLY 137 2 97.22 1 137 A PHE 138 2 98.03 1 138 A TRP 139 2 97.37 1 139 A LYS 140 2 89.87 1 140 A GLU 141 2 90.56 1 141 A LEU 142 2 97.35 1 142 A ALA 143 2 95.68 1 143 A LEU 144 2 90.92 1 144 A VAL 145 2 95.45 1 145 A MET 146 2 94.58 1 146 A PRO 147 2 91.55 1 147 A ARG 148 2 65.48 1 148 A LYS 149 2 62.25 1 149 A HIS 150 2 47.12 1 150 A HIS 151 2 42.64 1 151 A HIS 152 2 41.67 1 152 A HIS 153 2 40.87 1 153 A HIS 154 2 40.04 1 154 A HIS 155 2 32.79 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 ? 18.290 -5.208 7.306 1.00 64.54 1 A 1 ATOM 2 C CA . MET A 1 1 ? 17.311 -6.298 7.375 1.00 73.07 1 A 1 ATOM 3 C C . MET A 1 1 ? 15.893 -5.755 7.441 1.00 77.20 1 A 1 ATOM 4 O O . MET A 1 1 ? 15.606 -4.867 8.241 1.00 72.88 1 A 1 ATOM 5 C CB . MET A 1 1 ? 17.570 -7.178 8.599 1.00 65.05 1 A 1 ATOM 6 C CG . MET A 1 1 ? 16.628 -8.359 8.717 1.00 56.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? 16.836 -9.299 10.235 1.00 51.80 1 A 1 ATOM 8 C CE . MET A 1 1 ? 16.185 -8.125 11.439 1.00 45.43 1 A 1 ATOM 9 N N . LYS A 1 2 ? 15.019 -6.263 6.599 1.00 75.44 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 13.624 -5.846 6.598 1.00 80.74 2 A 1 ATOM 11 C C . LYS A 1 2 ? 12.877 -6.510 7.758 1.00 83.13 2 A 1 ATOM 12 O O . LYS A 1 2 ? 12.898 -7.731 7.893 1.00 80.57 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 12.962 -6.214 5.277 1.00 75.03 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 13.648 -5.630 4.047 1.00 73.69 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 13.591 -4.110 4.027 1.00 71.51 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 14.199 -3.553 2.750 1.00 67.98 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 14.132 -2.075 2.694 1.00 62.20 2 A 1 ATOM 18 N N . MET A 1 3 ? 12.241 -5.692 8.596 1.00 88.22 3 A 1 ATOM 19 C CA . MET A 1 3 ? 11.506 -6.200 9.751 1.00 90.38 3 A 1 ATOM 20 C C . MET A 1 3 ? 10.073 -6.590 9.402 1.00 92.43 3 A 1 ATOM 21 O O . MET A 1 3 ? 9.473 -7.429 10.071 1.00 89.94 3 A 1 ATOM 22 C CB . MET A 1 3 ? 11.497 -5.151 10.864 1.00 84.44 3 A 1 ATOM 23 C CG . MET A 1 3 ? 12.872 -4.706 11.325 1.00 73.74 3 A 1 ATOM 24 S SD . MET A 1 3 ? 12.780 -3.455 12.619 1.00 68.03 3 A 1 ATOM 25 C CE . MET A 1 3 ? 14.522 -3.072 12.832 1.00 59.59 3 A 1 ATOM 26 N N . TYR A 1 4 ? 9.527 -5.978 8.346 1.00 95.89 4 A 1 ATOM 27 C CA . TYR A 1 4 ? 8.149 -6.218 7.938 1.00 96.44 4 A 1 ATOM 28 C C . TYR A 1 4 ? 8.071 -6.615 6.470 1.00 96.46 4 A 1 ATOM 29 O O . TYR A 1 4 ? 8.936 -6.248 5.669 1.00 95.59 4 A 1 ATOM 30 C CB . TYR A 1 4 ? 7.296 -4.972 8.184 1.00 96.16 4 A 1 ATOM 31 C CG . TYR A 1 4 ? 7.227 -4.549 9.633 1.00 95.75 4 A 1 ATOM 32 C CD1 . TYR A 1 4 ? 6.270 -5.084 10.486 1.00 93.98 4 A 1 ATOM 33 C CD2 . TYR A 1 4 ? 8.121 -3.616 10.148 1.00 93.84 4 A 1 ATOM 34 C CE1 . TYR A 1 4 ? 6.199 -4.700 11.817 1.00 92.38 4 A 1 ATOM 35 C CE2 . TYR A 1 4 ? 8.063 -3.228 11.479 1.00 92.62 4 A 1 ATOM 36 C CZ . TYR A 1 4 ? 7.098 -3.774 12.307 1.00 93.00 4 A 1 ATOM 37 O OH . TYR A 1 4 ? 7.031 -3.389 13.627 1.00 90.74 4 A 1 ATOM 38 N N . ASP A 1 5 ? 7.032 -7.368 6.130 1.00 97.05 5 A 1 ATOM 39 C CA . ASP A 1 5 ? 6.823 -7.787 4.751 1.00 96.99 5 A 1 ATOM 40 C C . ASP A 1 5 ? 6.213 -6.672 3.909 1.00 96.99 5 A 1 ATOM 41 O O . ASP A 1 5 ? 6.507 -6.551 2.721 1.00 96.53 5 A 1 ATOM 42 C CB . ASP A 1 5 ? 5.928 -9.029 4.705 1.00 96.69 5 A 1 ATOM 43 C CG . ASP A 1 5 ? 6.566 -10.227 5.381 1.00 95.76 5 A 1 ATOM 44 O OD1 . ASP A 1 5 ? 7.748 -10.508 5.102 1.00 93.29 5 A 1 ATOM 45 O OD2 . ASP A 1 5 ? 5.883 -10.885 6.190 1.00 92.64 5 A 1 ATOM 46 N N . ALA A 1 6 ? 5.363 -5.849 4.529 1.00 97.27 6 A 1 ATOM 47 C CA . ALA A 1 6 ? 4.706 -4.775 3.789 1.00 97.36 6 A 1 ATOM 48 C C . ALA A 1 6 ? 4.344 -3.580 4.660 1.00 97.47 6 A 1 ATOM 49 O O . ALA A 1 6 ? 4.019 -3.732 5.841 1.00 97.06 6 A 1 ATOM 50 C CB . ALA A 1 6 ? 3.458 -5.303 3.089 1.00 96.98 6 A 1 ATOM 51 N N . TYR A 1 7 ? 4.421 -2.404 4.068 1.00 97.11 7 A 1 ATOM 52 C CA . TYR A 1 7 ? 4.015 -1.145 4.683 1.00 97.27 7 A 1 ATOM 53 C C . TYR A 1 7 ? 2.730 -0.722 3.983 1.00 97.55 7 A 1 ATOM 54 O O . TYR A 1 7 ? 2.739 -0.479 2.776 1.00 97.23 7 A 1 ATOM 55 C CB . TYR A 1 7 ? 5.124 -0.105 4.494 1.00 96.32 7 A 1 ATOM 56 C CG . TYR A 1 7 ? 4.908 1.234 5.184 1.00 94.76 7 A 1 ATOM 57 C CD1 . TYR A 1 7 ? 3.981 1.402 6.204 1.00 91.01 7 A 1 ATOM 58 C CD2 . TYR A 1 7 ? 5.680 2.338 4.821 1.00 90.03 7 A 1 ATOM 59 C CE1 . TYR A 1 7 ? 3.816 2.623 6.839 1.00 85.55 7 A 1 ATOM 60 C CE2 . TYR A 1 7 ? 5.529 3.562 5.449 1.00 85.56 7 A 1 ATOM 61 C CZ . TYR A 1 7 ? 4.595 3.702 6.456 1.00 85.19 7 A 1 ATOM 62 O OH . TYR A 1 7 ? 4.443 4.921 7.077 1.00 80.28 7 A 1 ATOM 63 N N . ILE A 1 8 ? 1.633 -0.660 4.730 1.00 97.91 8 A 1 ATOM 64 C CA . ILE A 1 8 ? 0.333 -0.341 4.146 1.00 98.15 8 A 1 ATOM 65 C C . ILE A 1 8 ? -0.054 1.106 4.429 1.00 98.12 8 A 1 ATOM 66 O O . ILE A 1 8 ? -0.250 1.488 5.585 1.00 97.84 8 A 1 ATOM 67 C CB . ILE A 1 8 ? -0.765 -1.286 4.678 1.00 98.16 8 A 1 ATOM 68 C CG1 . ILE A 1 8 ? -0.388 -2.744 4.394 1.00 97.16 8 A 1 ATOM 69 C CG2 . ILE A 1 8 ? -2.111 -0.946 4.040 1.00 97.54 8 A 1 ATOM 70 C CD1 . ILE A 1 8 ? -1.388 -3.760 4.916 1.00 94.71 8 A 1 ATOM 71 N N . SER A 1 9 ? -0.170 1.907 3.374 1.00 98.40 9 A 1 ATOM 72 C CA . SER A 1 9 ? -0.572 3.304 3.480 1.00 98.48 9 A 1 ATOM 73 C C . SER A 1 9 ? -2.039 3.446 3.089 1.00 98.57 9 A 1 ATOM 74 O O . SER A 1 9 ? -2.441 3.017 2.006 1.00 98.47 9 A 1 ATOM 75 C CB . SER A 1 9 ? 0.295 4.185 2.577 1.00 98.32 9 A 1 ATOM 76 O OG . SER A 1 9 ? -0.151 5.531 2.593 1.00 97.58 9 A 1 ATOM 77 N N . TYR A 1 10 ? -2.831 4.047 3.966 1.00 98.56 10 A 1 ATOM 78 C CA . TYR A 1 10 ? -4.259 4.226 3.718 1.00 98.62 10 A 1 ATOM 79 C C . TYR A 1 10 ? -4.783 5.440 4.480 1.00 98.49 10 A 1 ATOM 80 O O . TYR A 1 10 ? -4.125 5.938 5.392 1.00 98.20 10 A 1 ATOM 81 C CB . TYR A 1 10 ? -5.040 2.970 4.140 1.00 98.58 10 A 1 ATOM 82 C CG . TYR A 1 10 ? -5.090 2.757 5.643 1.00 98.57 10 A 1 ATOM 83 C CD1 . TYR A 1 10 ? -3.985 2.272 6.341 1.00 98.33 10 A 1 ATOM 84 C CD2 . TYR A 1 10 ? -6.246 3.040 6.364 1.00 98.24 10 A 1 ATOM 85 C CE1 . TYR A 1 10 ? -4.028 2.083 7.717 1.00 97.81 10 A 1 ATOM 86 C CE2 . TYR A 1 10 ? -6.302 2.853 7.742 1.00 97.77 10 A 1 ATOM 87 C CZ . TYR A 1 10 ? -5.192 2.375 8.409 1.00 97.69 10 A 1 ATOM 88 O OH . TYR A 1 10 ? -5.245 2.187 9.775 1.00 96.59 10 A 1 ATOM 89 N N . VAL A 1 11 ? -5.967 5.925 4.097 1.00 98.30 11 A 1 ATOM 90 C CA . VAL A 1 11 ? -6.598 7.030 4.814 1.00 98.07 11 A 1 ATOM 91 C C . VAL A 1 11 ? -7.599 6.483 5.823 1.00 98.06 11 A 1 ATOM 92 O O . VAL A 1 11 ? -8.274 5.481 5.569 1.00 97.23 11 A 1 ATOM 93 C CB . VAL A 1 11 ? -7.302 8.021 3.859 1.00 96.89 11 A 1 ATOM 94 C CG1 . VAL A 1 11 ? -6.263 8.827 3.094 1.00 89.58 11 A 1 ATOM 95 C CG2 . VAL A 1 11 ? -8.230 7.289 2.905 1.00 92.36 11 A 1 ATOM 96 N N . ASN A 1 12 ? -7.673 7.132 6.976 1.00 97.57 12 A 1 ATOM 97 C CA . ASN A 1 12 ? -8.498 6.643 8.078 1.00 97.03 12 A 1 ATOM 98 C C . ASN A 1 12 ? -9.950 7.120 8.026 1.00 96.63 12 A 1 ATOM 99 O O . ASN A 1 12 ? -10.409 7.844 8.909 1.00 94.34 12 A 1 ATOM 100 C CB . ASN A 1 12 ? -7.859 7.038 9.414 1.00 95.30 12 A 1 ATOM 101 C CG . ASN A 1 12 ? -8.429 6.269 10.594 1.00 93.36 12 A 1 ATOM 102 O OD1 . ASN A 1 12 ? -9.353 5.470 10.451 1.00 88.48 12 A 1 ATOM 103 N ND2 . ASN A 1 12 ? -7.864 6.511 11.775 1.00 85.91 12 A 1 ATOM 104 N N . ASN A 1 13 ? -10.681 6.704 6.992 1.00 97.09 13 A 1 ATOM 105 C CA . ASN A 1 13 ? -12.122 6.884 6.963 1.00 96.43 13 A 1 ATOM 106 C C . ASN A 1 13 ? -12.762 5.524 7.244 1.00 97.01 13 A 1 ATOM 107 O O . ASN A 1 13 ? -12.084 4.495 7.228 1.00 96.15 13 A 1 ATOM 108 C CB . ASN A 1 13 ? -12.600 7.473 5.624 1.00 93.94 13 A 1 ATOM 109 C CG . ASN A 1 13 ? -12.330 6.564 4.442 1.00 92.89 13 A 1 ATOM 110 O OD1 . ASN A 1 13 ? -12.689 5.390 4.435 1.00 86.10 13 A 1 ATOM 111 N ND2 . ASN A 1 13 ? -11.718 7.127 3.404 1.00 85.92 13 A 1 ATOM 112 N N . GLU A 1 14 ? -14.064 5.519 7.514 1.00 97.00 14 A 1 ATOM 113 C CA . GLU A 1 14 ? -14.741 4.289 7.927 1.00 97.06 14 A 1 ATOM 114 C C . GLU A 1 14 ? -14.586 3.145 6.922 1.00 97.11 14 A 1 ATOM 115 O O . GLU A 1 14 ? -14.230 2.023 7.297 1.00 96.22 14 A 1 ATOM 116 C CB . GLU A 1 14 ? -16.226 4.566 8.183 1.00 96.37 14 A 1 ATOM 117 C CG . GLU A 1 14 ? -16.993 3.358 8.714 1.00 89.79 14 A 1 ATOM 118 C CD . GLU A 1 14 ? -18.451 3.667 9.004 1.00 85.00 14 A 1 ATOM 119 O OE1 . GLU A 1 14 ? -18.907 4.778 8.676 1.00 79.69 14 A 1 ATOM 120 O OE2 . GLU A 1 14 ? -19.142 2.790 9.560 1.00 78.62 14 A 1 ATOM 121 N N . ASN A 1 15 ? -14.847 3.423 5.651 1.00 96.63 15 A 1 ATOM 122 C CA . ASN A 1 15 ? -14.795 2.381 4.627 1.00 96.24 15 A 1 ATOM 123 C C . ASN A 1 15 ? -13.394 1.811 4.431 1.00 97.07 15 A 1 ATOM 124 O O . ASN A 1 15 ? -13.198 0.590 4.435 1.00 96.94 15 A 1 ATOM 125 C CB . ASN A 1 15 ? -15.324 2.909 3.294 1.00 94.39 15 A 1 ATOM 126 C CG . ASN A 1 15 ? -15.390 1.830 2.234 1.00 80.22 15 A 1 ATOM 127 O OD1 . ASN A 1 15 ? -16.291 0.993 2.240 1.00 69.98 15 A 1 ATOM 128 N ND2 . ASN A 1 15 ? -14.433 1.840 1.315 1.00 68.46 15 A 1 ATOM 129 N N . ASP A 1 16 ? -12.416 2.694 4.268 1.00 97.50 16 A 1 ATOM 130 C CA . ASP A 1 16 ? -11.044 2.257 4.019 1.00 98.05 16 A 1 ATOM 131 C C . ASP A 1 16 ? -10.433 1.589 5.246 1.00 98.29 16 A 1 ATOM 132 O O . ASP A 1 16 ? -9.686 0.614 5.124 1.00 98.16 16 A 1 ATOM 133 C CB . ASP A 1 16 ? -10.178 3.441 3.568 1.00 97.85 16 A 1 ATOM 134 C CG . ASP A 1 16 ? -10.627 4.025 2.240 1.00 97.48 16 A 1 ATOM 135 O OD1 . ASP A 1 16 ? -11.587 3.498 1.639 1.00 95.77 16 A 1 ATOM 136 O OD2 . ASP A 1 16 ? -10.013 5.015 1.793 1.00 95.18 16 A 1 ATOM 137 N N . ARG A 1 17 ? -10.739 2.103 6.434 1.00 98.19 17 A 1 ATOM 138 C CA . ARG A 1 17 ? -10.230 1.506 7.667 1.00 98.13 17 A 1 ATOM 139 C C . ARG A 1 17 ? -10.795 0.101 7.859 1.00 98.15 17 A 1 ATOM 140 O O . ARG A 1 17 ? -10.083 -0.808 8.293 1.00 97.82 17 A 1 ATOM 141 C CB . ARG A 1 17 ? -10.560 2.380 8.884 1.00 97.30 17 A 1 ATOM 142 C CG . ARG A 1 17 ? -9.856 1.941 10.165 1.00 92.77 17 A 1 ATOM 143 C CD . ARG A 1 17 ? -10.072 2.936 11.295 1.00 89.71 17 A 1 ATOM 144 N NE . ARG A 1 17 ? -11.442 2.905 11.808 1.00 80.50 17 A 1 ATOM 145 C CZ . ARG A 1 17 ? -11.858 2.092 12.774 1.00 73.40 17 A 1 ATOM 146 N NH1 . ARG A 1 17 ? -11.018 1.242 13.356 1.00 65.24 17 A 1 ATOM 147 N NH2 . ARG A 1 17 ? -13.119 2.128 13.173 1.00 65.95 17 A 1 ATOM 148 N N . LYS A 1 18 ? -12.070 -0.076 7.535 1.00 98.11 18 A 1 ATOM 149 C CA . LYS A 1 18 ? -12.696 -1.393 7.635 1.00 97.96 18 A 1 ATOM 150 C C . LYS A 1 18 ? -12.049 -2.371 6.654 1.00 98.03 18 A 1 ATOM 151 O O . LYS A 1 18 ? -11.761 -3.517 7.003 1.00 97.78 18 A 1 ATOM 152 C CB . LYS A 1 18 ? -14.203 -1.297 7.364 1.00 97.62 18 A 1 ATOM 153 C CG . LYS A 1 18 ? -15.006 -0.704 8.510 1.00 93.13 18 A 1 ATOM 154 C CD . LYS A 1 18 ? -16.487 -0.642 8.167 1.00 90.28 18 A 1 ATOM 155 C CE . LYS A 1 18 ? -17.308 -0.092 9.325 1.00 82.14 18 A 1 ATOM 156 N NZ . LYS A 1 18 ? -18.759 0.017 8.989 1.00 75.30 18 A 1 ATOM 157 N N . PHE A 1 19 ? -11.814 -1.915 5.431 1.00 98.00 19 A 1 ATOM 158 C CA . PHE A 1 19 ? -11.182 -2.761 4.422 1.00 98.12 19 A 1 ATOM 159 C C . PHE A 1 19 ? -9.794 -3.210 4.875 1.00 98.18 19 A 1 ATOM 160 O O . PHE A 1 19 ? -9.452 -4.391 4.786 1.00 98.11 19 A 1 ATOM 161 C CB . PHE A 1 19 ? -11.080 -2.020 3.088 1.00 98.06 19 A 1 ATOM 162 C CG . PHE A 1 19 ? -10.265 -2.753 2.052 1.00 98.26 19 A 1 ATOM 163 C CD1 . PHE A 1 19 ? -10.775 -3.876 1.418 1.00 98.10 19 A 1 ATOM 164 C CD2 . PHE A 1 19 ? -8.986 -2.324 1.727 1.00 98.10 19 A 1 ATOM 165 C CE1 . PHE A 1 19 ? -10.023 -4.560 0.474 1.00 97.90 19 A 1 ATOM 166 C CE2 . PHE A 1 19 ? -8.227 -3.003 0.782 1.00 97.83 19 A 1 ATOM 167 C CZ . PHE A 1 19 ? -8.748 -4.120 0.156 1.00 97.98 19 A 1 ATOM 168 N N . VAL A 1 20 ? -9.002 -2.268 5.373 1.00 98.50 20 A 1 ATOM 169 C CA . VAL A 1 20 ? -7.641 -2.580 5.804 1.00 98.54 20 A 1 ATOM 170 C C . VAL A 1 20 ? -7.612 -3.478 7.038 1.00 98.43 20 A 1 ATOM 171 O O . VAL A 1 20 ? -6.906 -4.490 7.060 1.00 98.29 20 A 1 ATOM 172 C CB . VAL A 1 20 ? -6.836 -1.290 6.082 1.00 98.49 20 A 1 ATOM 173 C CG1 . VAL A 1 20 ? -5.493 -1.617 6.732 1.00 97.93 20 A 1 ATOM 174 C CG2 . VAL A 1 20 ? -6.618 -0.525 4.785 1.00 98.01 20 A 1 ATOM 175 N N . ASN A 1 21 ? -8.385 -3.121 8.058 1.00 98.35 21 A 1 ATOM 176 C CA . ASN A 1 21 ? -8.323 -3.831 9.334 1.00 98.08 21 A 1 ATOM 177 C C . ASN A 1 21 ? -9.116 -5.134 9.401 1.00 97.98 21 A 1 ATOM 178 O O . ASN A 1 21 ? -8.753 -6.034 10.162 1.00 97.17 21 A 1 ATOM 179 C CB . ASN A 1 21 ? -8.763 -2.909 10.473 1.00 97.53 21 A 1 ATOM 180 C CG . ASN A 1 21 ? -7.722 -1.861 10.808 1.00 94.61 21 A 1 ATOM 181 O OD1 . ASN A 1 21 ? -6.790 -2.115 11.572 1.00 85.26 21 A 1 ATOM 182 N ND2 . ASN A 1 21 ? -7.867 -0.679 10.233 1.00 82.76 21 A 1 ATOM 183 N N . PHE A 1 22 ? -10.184 -5.246 8.615 1.00 97.87 22 A 1 ATOM 184 C CA . PHE A 1 22 ? -11.040 -6.430 8.697 1.00 97.69 22 A 1 ATOM 185 C C . PHE A 1 22 ? -10.961 -7.347 7.480 1.00 97.65 22 A 1 ATOM 186 O O . PHE A 1 22 ? -11.497 -8.457 7.509 1.00 96.70 22 A 1 ATOM 187 C CB . PHE A 1 22 ? -12.493 -6.009 8.938 1.00 97.23 22 A 1 ATOM 188 C CG . PHE A 1 22 ? -12.697 -5.276 10.240 1.00 95.40 22 A 1 ATOM 189 C CD1 . PHE A 1 22 ? -12.544 -5.938 11.451 1.00 91.14 22 A 1 ATOM 190 C CD2 . PHE A 1 22 ? -13.036 -3.932 10.253 1.00 90.37 22 A 1 ATOM 191 C CE1 . PHE A 1 22 ? -12.726 -5.268 12.650 1.00 88.15 22 A 1 ATOM 192 C CE2 . PHE A 1 22 ? -13.219 -3.257 11.452 1.00 87.49 22 A 1 ATOM 193 C CZ . PHE A 1 22 ? -13.064 -3.930 12.649 1.00 87.35 22 A 1 ATOM 194 N N . ILE A 1 23 ? -10.301 -6.900 6.418 1.00 97.97 23 A 1 ATOM 195 C CA . ILE A 1 23 ? -10.182 -7.717 5.214 1.00 97.93 23 A 1 ATOM 196 C C . ILE A 1 23 ? -8.722 -7.922 4.812 1.00 98.05 23 A 1 ATOM 197 O O . ILE A 1 23 ? -8.220 -9.046 4.806 1.00 97.82 23 A 1 ATOM 198 C CB . ILE A 1 23 ? -10.975 -7.101 4.039 1.00 97.77 23 A 1 ATOM 199 C CG1 . ILE A 1 23 ? -12.463 -7.018 4.393 1.00 97.00 23 A 1 ATOM 200 C CG2 . ILE A 1 23 ? -10.764 -7.924 2.771 1.00 97.14 23 A 1 ATOM 201 C CD1 . ILE A 1 23 ? -13.319 -6.384 3.314 1.00 94.14 23 A 1 ATOM 202 N N . LEU A 1 24 ? -8.038 -6.830 4.470 1.00 98.15 24 A 1 ATOM 203 C CA . LEU A 1 24 ? -6.667 -6.922 3.972 1.00 98.20 24 A 1 ATOM 204 C C . LEU A 1 24 ? -5.684 -7.449 5.019 1.00 98.14 24 A 1 ATOM 205 O O . LEU A 1 24 ? -4.980 -8.435 4.780 1.00 97.96 24 A 1 ATOM 206 C CB . LEU A 1 24 ? -6.200 -5.556 3.456 1.00 98.20 24 A 1 ATOM 207 C CG . LEU A 1 24 ? -4.822 -5.508 2.791 1.00 97.64 24 A 1 ATOM 208 C CD1 . LEU A 1 24 ? -4.793 -6.405 1.563 1.00 97.34 24 A 1 ATOM 209 C CD2 . LEU A 1 24 ? -4.477 -4.072 2.418 1.00 97.38 24 A 1 ATOM 210 N N . LYS A 1 25 ? -5.631 -6.787 6.172 1.00 98.24 25 A 1 ATOM 211 C CA . LYS A 1 25 ? -4.694 -7.159 7.236 1.00 98.13 25 A 1 ATOM 212 C C . LYS A 1 25 ? -4.889 -8.596 7.736 1.00 97.97 25 A 1 ATOM 213 O O . LYS A 1 25 ? -3.918 -9.361 7.781 1.00 97.75 25 A 1 ATOM 214 C CB . LYS A 1 25 ? -4.793 -6.166 8.400 1.00 97.83 25 A 1 ATOM 215 C CG . LYS A 1 25 ? -3.872 -6.457 9.579 1.00 95.67 25 A 1 ATOM 216 C CD . LYS A 1 25 ? -3.971 -5.337 10.619 1.00 93.04 25 A 1 ATOM 217 C CE . LYS A 1 25 ? -3.054 -5.585 11.811 1.00 85.54 25 A 1 ATOM 218 N NZ . LYS A 1 25 ? -3.468 -6.774 12.603 1.00 79.14 25 A 1 ATOM 219 N N . PRO A 1 26 ? -6.113 -8.983 8.111 1.00 97.93 26 A 1 ATOM 220 C CA . PRO A 1 26 ? -6.310 -10.350 8.617 1.00 97.61 26 A 1 ATOM 221 C C . PRO A 1 26 ? -5.933 -11.423 7.603 1.00 97.37 26 A 1 ATOM 222 O O . PRO A 1 26 ? -5.374 -12.458 7.971 1.00 96.72 26 A 1 ATOM 223 C CB . PRO A 1 26 ? -7.806 -10.399 8.941 1.00 97.08 26 A 1 ATOM 224 C CG . PRO A 1 26 ? -8.166 -8.976 9.199 1.00 95.44 26 A 1 ATOM 225 C CD . PRO A 1 26 ? -7.349 -8.198 8.210 1.00 97.66 26 A 1 ATOM 226 N N . HIS A 1 27 ? -6.228 -11.189 6.336 1.00 97.34 27 A 1 ATOM 227 C CA . HIS A 1 27 ? -5.927 -12.174 5.301 1.00 96.97 27 A 1 ATOM 228 C C . HIS A 1 27 ? -4.419 -12.330 5.113 1.00 96.71 27 A 1 ATOM 229 O O . HIS A 1 27 ? -3.901 -13.448 5.063 1.00 96.17 27 A 1 ATOM 230 C CB . HIS A 1 27 ? -6.595 -11.782 3.982 1.00 96.50 27 A 1 ATOM 231 C CG . HIS A 1 27 ? -6.859 -12.941 3.068 1.00 93.32 27 A 1 ATOM 232 N ND1 . HIS A 1 27 ? -8.121 -13.475 2.896 1.00 79.49 27 A 1 ATOM 233 C CD2 . HIS A 1 27 ? -6.038 -13.677 2.293 1.00 80.65 27 A 1 ATOM 234 C CE1 . HIS A 1 27 ? -8.058 -14.488 2.048 1.00 82.32 27 A 1 ATOM 235 N NE2 . HIS A 1 27 ? -6.806 -14.636 1.670 1.00 83.83 27 A 1 ATOM 236 N N . LEU A 1 28 ? -3.707 -11.208 5.018 1.00 97.44 28 A 1 ATOM 237 C CA . LEU A 1 28 ? -2.259 -11.252 4.835 1.00 97.22 28 A 1 ATOM 238 C C . LEU A 1 28 ? -1.551 -11.859 6.045 1.00 96.69 28 A 1 ATOM 239 O O . LEU A 1 28 ? -0.595 -12.621 5.893 1.00 95.97 28 A 1 ATOM 240 C CB . LEU A 1 28 ? -1.714 -9.848 4.553 1.00 97.37 28 A 1 ATOM 241 C CG . LEU A 1 28 ? -2.065 -9.248 3.188 1.00 96.80 28 A 1 ATOM 242 C CD1 . LEU A 1 28 ? -1.549 -7.818 3.091 1.00 96.00 28 A 1 ATOM 243 C CD2 . LEU A 1 28 ? -1.477 -10.100 2.072 1.00 95.72 28 A 1 ATOM 244 N N . GLU A 1 29 ? -2.023 -11.536 7.237 1.00 97.34 29 A 1 ATOM 245 C CA . GLU A 1 29 ? -1.395 -12.038 8.458 1.00 97.05 29 A 1 ATOM 246 C C . GLU A 1 29 ? -1.766 -13.489 8.761 1.00 96.29 29 A 1 ATOM 247 O O . GLU A 1 29 ? -0.897 -14.320 9.029 1.00 95.16 29 A 1 ATOM 248 C CB . GLU A 1 29 ? -1.761 -11.150 9.652 1.00 97.04 29 A 1 ATOM 249 C CG . GLU A 1 29 ? -1.176 -9.748 9.589 1.00 96.02 29 A 1 ATOM 250 C CD . GLU A 1 29 ? -1.498 -8.929 10.829 1.00 95.66 29 A 1 ATOM 251 O OE1 . GLU A 1 29 ? -2.483 -9.256 11.524 1.00 93.51 29 A 1 ATOM 252 O OE2 . GLU A 1 29 ? -0.767 -7.958 11.105 1.00 93.61 29 A 1 ATOM 253 N N . ASN A 1 30 ? -3.050 -13.798 8.705 1.00 96.33 30 A 1 ATOM 254 C CA . ASN A 1 30 ? -3.527 -15.123 9.096 1.00 95.55 30 A 1 ATOM 255 C C . ASN A 1 30 ? -3.387 -16.185 8.004 1.00 94.52 30 A 1 ATOM 256 O O . ASN A 1 30 ? -3.097 -17.345 8.298 1.00 92.49 30 A 1 ATOM 257 C CB . ASN A 1 30 ? -4.986 -15.040 9.557 1.00 95.05 30 A 1 ATOM 258 C CG . ASN A 1 30 ? -5.175 -14.087 10.722 1.00 92.36 30 A 1 ATOM 259 O OD1 . ASN A 1 30 ? -4.265 -13.888 11.528 1.00 86.95 30 A 1 ATOM 260 N ND2 . ASN A 1 30 ? -6.359 -13.494 10.822 1.00 85.34 30 A 1 ATOM 261 N N . LYS A 1 31 ? -3.594 -15.794 6.743 1.00 94.64 31 A 1 ATOM 262 C CA . LYS A 1 31 ? -3.519 -16.746 5.636 1.00 93.06 31 A 1 ATOM 263 C C . LYS A 1 31 ? -2.111 -16.862 5.059 1.00 92.41 31 A 1 ATOM 264 O O . LYS A 1 31 ? -1.676 -17.958 4.700 1.00 89.88 31 A 1 ATOM 265 C CB . LYS A 1 31 ? -4.497 -16.355 4.525 1.00 91.83 31 A 1 ATOM 266 C CG . LYS A 1 31 ? -5.962 -16.402 4.927 1.00 85.05 31 A 1 ATOM 267 C CD . LYS A 1 31 ? -6.431 -17.825 5.149 1.00 78.61 31 A 1 ATOM 268 C CE . LYS A 1 31 ? -7.926 -17.874 5.435 1.00 71.21 31 A 1 ATOM 269 N NZ . LYS A 1 31 ? -8.424 -19.266 5.605 1.00 63.02 31 A 1 ATOM 270 N N . TYR A 1 32 ? -1.404 -15.730 4.968 1.00 93.66 32 A 1 ATOM 271 C CA . TYR A 1 32 ? -0.078 -15.721 4.357 1.00 92.96 32 A 1 ATOM 272 C C . TYR A 1 32 ? 1.063 -15.557 5.365 1.00 93.09 32 A 1 ATOM 273 O O . TYR A 1 32 ? 2.237 -15.575 4.987 1.00 91.40 32 A 1 ATOM 274 C CB . TYR A 1 32 ? 0.002 -14.613 3.299 1.00 91.64 32 A 1 ATOM 275 C CG . TYR A 1 32 ? -1.054 -14.702 2.212 1.00 89.04 32 A 1 ATOM 276 C CD1 . TYR A 1 32 ? -1.612 -15.918 1.846 1.00 84.32 32 A 1 ATOM 277 C CD2 . TYR A 1 32 ? -1.477 -13.560 1.537 1.00 83.98 32 A 1 ATOM 278 C CE1 . TYR A 1 32 ? -2.574 -15.998 0.850 1.00 81.25 32 A 1 ATOM 279 C CE2 . TYR A 1 32 ? -2.431 -13.631 0.538 1.00 81.16 32 A 1 ATOM 280 C CZ . TYR A 1 32 ? -2.978 -14.852 0.200 1.00 80.99 32 A 1 ATOM 281 O OH . TYR A 1 32 ? -3.928 -14.926 -0.791 1.00 77.23 32 A 1 ATOM 282 N N . SER A 1 33 ? 0.731 -15.407 6.650 1.00 94.32 33 A 1 ATOM 283 C CA . SER A 1 33 ? 1.724 -15.274 7.720 1.00 94.78 33 A 1 ATOM 284 C C . SER A 1 33 ? 2.683 -14.097 7.524 1.00 95.41 33 A 1 ATOM 285 O O . SER A 1 33 ? 3.862 -14.181 7.868 1.00 93.84 33 A 1 ATOM 286 C CB . SER A 1 33 ? 2.525 -16.574 7.872 1.00 93.40 33 A 1 ATOM 287 O OG . SER A 1 33 ? 1.667 -17.660 8.178 1.00 85.50 33 A 1 ATOM 288 N N . HIS A 1 34 ? 2.172 -12.996 6.971 1.00 96.11 34 A 1 ATOM 289 C CA . HIS A 1 34 ? 2.982 -11.806 6.754 1.00 96.67 34 A 1 ATOM 290 C C . HIS A 1 34 ? 2.969 -10.881 7.968 1.00 97.00 34 A 1 ATOM 291 O O . HIS A 1 34 ? 1.981 -10.816 8.702 1.00 96.68 34 A 1 ATOM 292 C CB . HIS A 1 34 ? 2.489 -11.029 5.532 1.00 96.30 34 A 1 ATOM 293 C CG . HIS A 1 34 ? 2.800 -11.681 4.224 1.00 95.78 34 A 1 ATOM 294 N ND1 . HIS A 1 34 ? 4.075 -12.038 3.851 1.00 88.28 34 A 1 ATOM 295 C CD2 . HIS A 1 34 ? 2.002 -12.014 3.187 1.00 88.46 34 A 1 ATOM 296 C CE1 . HIS A 1 34 ? 4.047 -12.573 2.645 1.00 89.72 34 A 1 ATOM 297 N NE2 . HIS A 1 34 ? 2.801 -12.571 2.218 1.00 90.88 34 A 1 ATOM 298 N N . LYS A 1 35 ? 4.081 -10.161 8.169 1.00 97.05 35 A 1 ATOM 299 C CA . LYS A 1 35 ? 4.152 -9.126 9.193 1.00 97.05 35 A 1 ATOM 300 C C . LYS A 1 35 ? 3.928 -7.783 8.507 1.00 97.29 35 A 1 ATOM 301 O O . LYS A 1 35 ? 4.591 -7.465 7.522 1.00 96.83 35 A 1 ATOM 302 C CB . LYS A 1 35 ? 5.505 -9.140 9.905 1.00 96.27 35 A 1 ATOM 303 C CG . LYS A 1 35 ? 5.728 -10.362 10.788 1.00 88.03 35 A 1 ATOM 304 C CD . LYS A 1 35 ? 6.966 -10.201 11.655 1.00 82.83 35 A 1 ATOM 305 C CE . LYS A 1 35 ? 6.811 -9.060 12.648 1.00 72.29 35 A 1 ATOM 306 N NZ . LYS A 1 35 ? 8.003 -8.912 13.529 1.00 64.21 35 A 1 ATOM 307 N N . LEU A 1 36 ? 2.991 -6.995 9.035 1.00 97.56 36 A 1 ATOM 308 C CA . LEU A 1 36 ? 2.595 -5.747 8.396 1.00 97.62 36 A 1 ATOM 309 C C . LEU A 1 36 ? 2.815 -4.527 9.278 1.00 97.44 36 A 1 ATOM 310 O O . LEU A 1 36 ? 2.769 -4.618 10.506 1.00 96.95 36 A 1 ATOM 311 C CB . LEU A 1 36 ? 1.119 -5.804 7.992 1.00 97.60 36 A 1 ATOM 312 C CG . LEU A 1 36 ? 0.666 -7.027 7.197 1.00 97.25 36 A 1 ATOM 313 C CD1 . LEU A 1 36 ? -0.846 -7.001 7.020 1.00 96.74 36 A 1 ATOM 314 C CD2 . LEU A 1 36 ? 1.363 -7.069 5.848 1.00 96.59 36 A 1 ATOM 315 N N . LEU A 1 37 ? 3.061 -3.390 8.631 1.00 97.35 37 A 1 ATOM 316 C CA . LEU A 1 37 ? 3.152 -2.105 9.306 1.00 97.09 37 A 1 ATOM 317 C C . LEU A 1 37 ? 2.121 -1.187 8.661 1.00 97.31 37 A 1 ATOM 318 O O . LEU A 1 37 ? 2.187 -0.922 7.463 1.00 96.75 37 A 1 ATOM 319 C CB . LEU A 1 37 ? 4.562 -1.514 9.179 1.00 95.95 37 A 1 ATOM 320 C CG . LEU A 1 37 ? 4.790 -0.150 9.852 1.00 89.85 37 A 1 ATOM 321 C CD1 . LEU A 1 37 ? 4.493 -0.227 11.338 1.00 87.60 37 A 1 ATOM 322 C CD2 . LEU A 1 37 ? 6.222 0.311 9.618 1.00 87.41 37 A 1 ATOM 323 N N . LEU A 1 38 ? 1.161 -0.713 9.459 1.00 97.37 38 A 1 ATOM 324 C CA . LEU A 1 38 ? 0.090 0.133 8.942 1.00 97.15 38 A 1 ATOM 325 C C . LEU A 1 38 ? 0.345 1.607 9.225 1.00 96.54 38 A 1 ATOM 326 O O . LEU A 1 38 ? 0.873 1.965 10.278 1.00 95.29 38 A 1 ATOM 327 C CB . LEU A 1 38 ? -1.261 -0.280 9.540 1.00 96.94 38 A 1 ATOM 328 C CG . LEU A 1 38 ? -2.005 -1.433 8.864 1.00 95.23 38 A 1 ATOM 329 C CD1 . LEU A 1 38 ? -1.148 -2.687 8.798 1.00 91.94 38 A 1 ATOM 330 C CD2 . LEU A 1 38 ? -3.306 -1.720 9.605 1.00 90.96 38 A 1 ATOM 331 N N . ASN A 1 39 ? -0.028 2.466 8.279 1.00 96.80 39 A 1 ATOM 332 C CA . ASN A 1 39 ? 0.139 3.908 8.421 1.00 96.72 39 A 1 ATOM 333 C C . ASN A 1 39 ? -1.066 4.622 7.811 1.00 97.49 39 A 1 ATOM 334 O O . ASN A 1 39 ? -1.322 4.499 6.616 1.00 97.14 39 A 1 ATOM 335 C CB . ASN A 1 39 ? 1.437 4.361 7.742 1.00 94.43 39 A 1 ATOM 336 C CG . ASN A 1 39 ? 1.736 5.832 7.971 1.00 90.39 39 A 1 ATOM 337 O OD1 . ASN A 1 39 ? 0.896 6.694 7.744 1.00 79.29 39 A 1 ATOM 338 N ND2 . ASN A 1 39 ? 2.946 6.128 8.419 1.00 78.44 39 A 1 ATOM 339 N N . ASP A 1 40 ? -1.796 5.370 8.638 1.00 97.35 40 A 1 ATOM 340 C CA . ASP A 1 40 ? -2.975 6.088 8.170 1.00 97.34 40 A 1 ATOM 341 C C . ASP A 1 40 ? -2.750 7.594 8.106 1.00 97.14 40 A 1 ATOM 342 O O . ASP A 1 40 ? -3.706 8.373 8.071 1.00 95.53 40 A 1 ATOM 343 C CB . ASP A 1 40 ? -4.190 5.771 9.059 1.00 96.81 40 A 1 ATOM 344 C CG . ASP A 1 40 ? -4.006 6.226 10.496 1.00 96.17 40 A 1 ATOM 345 O OD1 . ASP A 1 40 ? -2.902 6.673 10.856 1.00 93.86 40 A 1 ATOM 346 O OD2 . ASP A 1 40 ? -4.982 6.129 11.270 1.00 92.41 40 A 1 ATOM 347 N N . THR A 1 41 ? -1.480 8.009 8.081 1.00 96.32 41 A 1 ATOM 348 C CA . THR A 1 41 ? -1.147 9.426 7.996 1.00 95.68 41 A 1 ATOM 349 C C . THR A 1 41 ? -0.657 9.776 6.595 1.00 96.07 41 A 1 ATOM 350 O O . THR A 1 41 ? -0.408 8.900 5.769 1.00 94.61 41 A 1 ATOM 351 C CB . THR A 1 41 ? -0.062 9.814 9.021 1.00 93.71 41 A 1 ATOM 352 O OG1 . THR A 1 41 ? 1.185 9.206 8.667 1.00 86.85 41 A 1 ATOM 353 C CG2 . THR A 1 41 ? -0.461 9.372 10.423 1.00 85.65 41 A 1 ATOM 354 N N . ASN A 1 42 ? -0.517 11.083 6.331 1.00 95.79 42 A 1 ATOM 355 C CA . ASN A 1 42 ? -0.031 11.557 5.043 1.00 96.13 42 A 1 ATOM 356 C C . ASN A 1 42 ? 1.453 11.226 4.892 1.00 96.42 42 A 1 ATOM 357 O O . ASN A 1 42 ? 2.292 11.791 5.585 1.00 95.75 42 A 1 ATOM 358 C CB . ASN A 1 42 ? -0.254 13.067 4.927 1.00 95.12 42 A 1 ATOM 359 C CG . ASN A 1 42 ? 0.115 13.617 3.562 1.00 94.54 42 A 1 ATOM 360 O OD1 . ASN A 1 42 ? 0.557 12.888 2.680 1.00 92.07 42 A 1 ATOM 361 N ND2 . ASN A 1 42 ? -0.077 14.921 3.380 1.00 90.82 42 A 1 ATOM 362 N N . ILE A 1 43 ? 1.774 10.303 3.983 1.00 97.04 43 A 1 ATOM 363 C CA . ILE A 1 43 ? 3.156 9.878 3.789 1.00 97.02 43 A 1 ATOM 364 C C . ILE A 1 43 ? 3.942 10.814 2.878 1.00 97.42 43 A 1 ATOM 365 O O . ILE A 1 43 ? 5.165 10.710 2.792 1.00 96.89 43 A 1 ATOM 366 C CB . ILE A 1 43 ? 3.226 8.445 3.212 1.00 96.51 43 A 1 ATOM 367 C CG1 . ILE A 1 43 ? 2.473 8.358 1.878 1.00 95.00 43 A 1 ATOM 368 C CG2 . ILE A 1 43 ? 2.669 7.451 4.222 1.00 92.50 43 A 1 ATOM 369 C CD1 . ILE A 1 43 ? 2.619 7.021 1.177 1.00 94.68 43 A 1 ATOM 370 N N . LEU A 1 44 ? 3.252 11.727 2.202 1.00 97.30 44 A 1 ATOM 371 C CA . LEU A 1 44 ? 3.898 12.645 1.268 1.00 97.40 44 A 1 ATOM 372 C C . LEU A 1 44 ? 3.421 14.089 1.451 1.00 97.23 44 A 1 ATOM 373 O O . LEU A 1 44 ? 2.875 14.697 0.531 1.00 96.09 44 A 1 ATOM 374 C CB . LEU A 1 44 ? 3.643 12.191 -0.173 1.00 97.09 44 A 1 ATOM 375 C CG . LEU A 1 44 ? 4.352 10.915 -0.624 1.00 96.53 44 A 1 ATOM 376 C CD1 . LEU A 1 44 ? 3.712 10.361 -1.884 1.00 95.40 44 A 1 ATOM 377 C CD2 . LEU A 1 44 ? 5.830 11.199 -0.865 1.00 95.62 44 A 1 ATOM 378 N N . PRO A 1 45 ? 3.647 14.676 2.641 1.00 96.85 45 A 1 ATOM 379 C CA . PRO A 1 45 ? 3.251 16.066 2.858 1.00 96.13 45 A 1 ATOM 380 C C . PRO A 1 45 ? 4.013 16.988 1.909 1.00 95.83 45 A 1 ATOM 381 O O . PRO A 1 45 ? 5.244 16.955 1.857 1.00 93.60 45 A 1 ATOM 382 C CB . PRO A 1 45 ? 3.618 16.323 4.323 1.00 95.29 45 A 1 ATOM 383 C CG . PRO A 1 45 ? 4.706 15.341 4.612 1.00 93.82 45 A 1 ATOM 384 C CD . PRO A 1 45 ? 4.315 14.116 3.828 1.00 96.50 45 A 1 ATOM 385 N N . GLY A 1 46 ? 3.274 17.800 1.150 1.00 95.36 46 A 1 ATOM 386 C CA . GLY A 1 46 ? 3.902 18.674 0.174 1.00 94.41 46 A 1 ATOM 387 C C . GLY A 1 46 ? 4.533 17.905 -0.979 1.00 95.11 46 A 1 ATOM 388 O O . GLY A 1 46 ? 5.443 18.402 -1.639 1.00 92.26 46 A 1 ATOM 389 N N . ALA A 1 47 ? 4.047 16.683 -1.200 1.00 94.38 47 A 1 ATOM 390 C CA . ALA A 1 47 ? 4.563 15.794 -2.244 1.00 94.79 47 A 1 ATOM 391 C C . ALA A 1 47 ? 6.007 15.352 -1.985 1.00 95.66 47 A 1 ATOM 392 O O . ALA A 1 47 ? 6.709 14.918 -2.902 1.00 94.16 47 A 1 ATOM 393 C CB . ALA A 1 47 ? 4.444 16.443 -3.626 1.00 93.37 47 A 1 ATOM 394 N N . GLU A 1 48 ? 6.453 15.448 -0.730 1.00 96.83 48 A 1 ATOM 395 C CA . GLU A 1 48 ? 7.785 15.005 -0.332 1.00 96.96 48 A 1 ATOM 396 C C . GLU A 1 48 ? 7.663 13.923 0.737 1.00 97.18 48 A 1 ATOM 397 O O . GLU A 1 48 ? 6.782 13.996 1.590 1.00 96.58 48 A 1 ATOM 398 C CB . GLU A 1 48 ? 8.616 16.178 0.202 1.00 96.09 48 A 1 ATOM 399 C CG . GLU A 1 48 ? 8.964 17.230 -0.844 1.00 91.61 48 A 1 ATOM 400 C CD . GLU A 1 48 ? 9.879 16.686 -1.934 1.00 89.34 48 A 1 ATOM 401 O OE1 . GLU A 1 48 ? 10.774 15.878 -1.617 1.00 82.37 48 A 1 ATOM 402 O OE2 . GLU A 1 48 ? 9.701 17.073 -3.104 1.00 83.13 48 A 1 ATOM 403 N N . PRO A 1 49 ? 8.532 12.919 0.708 1.00 97.62 49 A 1 ATOM 404 C CA . PRO A 1 49 ? 8.466 11.829 1.686 1.00 97.54 49 A 1 ATOM 405 C C . PRO A 1 49 ? 8.579 12.330 3.123 1.00 97.54 49 A 1 ATOM 406 O O . PRO A 1 49 ? 9.485 13.097 3.446 1.00 97.07 49 A 1 ATOM 407 C CB . PRO A 1 49 ? 9.660 10.947 1.316 1.00 97.07 49 A 1 ATOM 408 C CG . PRO A 1 49 ? 9.904 11.238 -0.128 1.00 95.65 49 A 1 ATOM 409 C CD . PRO A 1 49 ? 9.618 12.702 -0.268 1.00 97.21 49 A 1 ATOM 410 N N . SER A 1 50 ? 7.658 11.898 3.978 1.00 97.52 50 A 1 ATOM 411 C CA . SER A 1 50 ? 7.715 12.258 5.387 1.00 97.28 50 A 1 ATOM 412 C C . SER A 1 50 ? 8.857 11.496 6.054 1.00 97.32 50 A 1 ATOM 413 O O . SER A 1 50 ? 9.316 10.469 5.551 1.00 97.13 50 A 1 ATOM 414 C CB . SER A 1 50 ? 6.392 11.926 6.084 1.00 96.73 50 A 1 ATOM 415 O OG . SER A 1 50 ? 6.202 10.528 6.180 1.00 95.15 50 A 1 ATOM 416 N N . ALA A 1 51 ? 9.318 12.008 7.195 1.00 97.05 51 A 1 ATOM 417 C CA . ALA A 1 51 ? 10.374 11.336 7.943 1.00 96.59 51 A 1 ATOM 418 C C . ALA A 1 51 ? 9.922 9.938 8.351 1.00 96.26 51 A 1 ATOM 419 O O . ALA A 1 51 ? 10.710 8.989 8.344 1.00 95.40 51 A 1 ATOM 420 C CB . ALA A 1 51 ? 10.751 12.158 9.173 1.00 95.98 51 A 1 ATOM 421 N N . GLU A 1 52 ? 8.645 9.815 8.695 1.00 96.12 52 A 1 ATOM 422 C CA . GLU A 1 52 ? 8.084 8.528 9.098 1.00 95.29 52 A 1 ATOM 423 C C . GLU A 1 52 ? 8.103 7.531 7.940 1.00 95.44 52 A 1 ATOM 424 O O . GLU A 1 52 ? 8.422 6.356 8.128 1.00 94.64 52 A 1 ATOM 425 C CB . GLU A 1 52 ? 6.657 8.709 9.625 1.00 93.50 52 A 1 ATOM 426 C CG . GLU A 1 52 ? 6.042 7.437 10.196 1.00 81.81 52 A 1 ATOM 427 C CD . GLU A 1 52 ? 4.669 7.673 10.802 1.00 76.71 52 A 1 ATOM 428 O OE1 . GLU A 1 52 ? 4.046 8.707 10.490 1.00 71.27 52 A 1 ATOM 429 O OE2 . GLU A 1 52 ? 4.212 6.822 11.593 1.00 69.99 52 A 1 ATOM 430 N N . LEU A 1 53 ? 7.758 8.002 6.744 1.00 96.35 53 A 1 ATOM 431 C CA . LEU A 1 53 ? 7.781 7.138 5.567 1.00 96.63 53 A 1 ATOM 432 C C . LEU A 1 53 ? 9.198 6.652 5.274 1.00 96.50 53 A 1 ATOM 433 O O . LEU A 1 53 ? 9.417 5.461 5.049 1.00 96.12 53 A 1 ATOM 434 C CB . LEU A 1 53 ? 7.226 7.872 4.342 1.00 96.64 53 A 1 ATOM 435 C CG . LEU A 1 53 ? 7.331 7.117 3.011 1.00 96.41 53 A 1 ATOM 436 C CD1 . LEU A 1 53 ? 6.511 5.836 3.058 1.00 95.56 53 A 1 ATOM 437 C CD2 . LEU A 1 53 ? 6.880 8.001 1.857 1.00 95.41 53 A 1 ATOM 438 N N . LEU A 1 54 ? 10.161 7.574 5.287 1.00 96.85 54 A 1 ATOM 439 C CA . LEU A 1 54 ? 11.551 7.226 5.015 1.00 96.35 54 A 1 ATOM 440 C C . LEU A 1 54 ? 12.077 6.208 6.021 1.00 95.52 54 A 1 ATOM 441 O O . LEU A 1 54 ? 12.784 5.267 5.658 1.00 94.55 54 A 1 ATOM 442 C CB . LEU A 1 54 ? 12.427 8.485 5.032 1.00 96.23 54 A 1 ATOM 443 C CG . LEU A 1 54 ? 12.182 9.493 3.905 1.00 95.16 54 A 1 ATOM 444 C CD1 . LEU A 1 54 ? 12.992 10.760 4.137 1.00 94.11 54 A 1 ATOM 445 C CD2 . LEU A 1 54 ? 12.539 8.875 2.560 1.00 93.83 54 A 1 ATOM 446 N N . MET A 1 55 ? 11.726 6.404 7.284 1.00 95.28 55 A 1 ATOM 447 C CA . MET A 1 55 ? 12.162 5.501 8.344 1.00 94.31 55 A 1 ATOM 448 C C . MET A 1 55 ? 11.534 4.118 8.202 1.00 94.00 55 A 1 ATOM 449 O O . MET A 1 55 ? 12.226 3.101 8.261 1.00 92.75 55 A 1 ATOM 450 C CB . MET A 1 55 ? 11.808 6.094 9.710 1.00 92.66 55 A 1 ATOM 451 C CG . MET A 1 55 ? 12.096 5.179 10.892 1.00 80.30 55 A 1 ATOM 452 S SD . MET A 1 55 ? 13.843 4.818 11.091 1.00 73.91 55 A 1 ATOM 453 C CE . MET A 1 55 ? 13.824 3.903 12.639 1.00 64.59 55 A 1 ATOM 454 N N . ASN A 1 56 ? 10.221 4.086 8.004 1.00 94.46 56 A 1 ATOM 455 C CA . ASN A 1 56 ? 9.506 2.814 7.988 1.00 93.81 56 A 1 ATOM 456 C C . ASN A 1 56 ? 9.604 2.037 6.675 1.00 94.50 56 A 1 ATOM 457 O O . ASN A 1 56 ? 9.563 0.808 6.688 1.00 93.51 56 A 1 ATOM 458 C CB . ASN A 1 56 ? 8.038 3.041 8.363 1.00 92.22 56 A 1 ATOM 459 C CG . ASN A 1 56 ? 7.868 3.448 9.814 1.00 89.64 56 A 1 ATOM 460 O OD1 . ASN A 1 56 ? 8.660 3.061 10.675 1.00 84.13 56 A 1 ATOM 461 N ND2 . ASN A 1 56 ? 6.830 4.227 10.099 1.00 82.72 56 A 1 ATOM 462 N N . ILE A 1 57 ? 9.734 2.731 5.551 1.00 94.88 57 A 1 ATOM 463 C CA . ILE A 1 57 ? 9.820 2.030 4.269 1.00 94.57 57 A 1 ATOM 464 C C . ILE A 1 57 ? 11.105 1.207 4.195 1.00 94.83 57 A 1 ATOM 465 O O . ILE A 1 57 ? 11.150 0.173 3.531 1.00 94.07 57 A 1 ATOM 466 C CB . ILE A 1 57 ? 9.745 3.014 3.070 1.00 93.12 57 A 1 ATOM 467 C CG1 . ILE A 1 57 ? 9.440 2.244 1.779 1.00 82.01 57 A 1 ATOM 468 C CG2 . ILE A 1 57 ? 11.041 3.817 2.923 1.00 80.64 57 A 1 ATOM 469 C CD1 . ILE A 1 57 ? 8.097 1.552 1.773 1.00 74.74 57 A 1 ATOM 470 N N . SER A 1 58 ? 12.151 1.658 4.902 1.00 94.97 58 A 1 ATOM 471 C CA . SER A 1 58 ? 13.418 0.935 4.920 1.00 94.39 58 A 1 ATOM 472 C C . SER A 1 58 ? 13.311 -0.362 5.722 1.00 94.64 58 A 1 ATOM 473 O O . SER A 1 58 ? 14.167 -1.240 5.616 1.00 93.04 58 A 1 ATOM 474 C CB . SER A 1 58 ? 14.530 1.818 5.507 1.00 93.02 58 A 1 ATOM 475 O OG . SER A 1 58 ? 14.326 2.047 6.888 1.00 82.82 58 A 1 ATOM 476 N N . ARG A 1 59 ? 12.247 -0.479 6.520 1.00 95.70 59 A 1 ATOM 477 C CA . ARG A 1 59 ? 12.024 -1.657 7.353 1.00 95.83 59 A 1 ATOM 478 C C . ARG A 1 59 ? 11.039 -2.632 6.716 1.00 96.25 59 A 1 ATOM 479 O O . ARG A 1 59 ? 10.758 -3.695 7.274 1.00 95.38 59 A 1 ATOM 480 C CB . ARG A 1 59 ? 11.506 -1.222 8.729 1.00 94.61 59 A 1 ATOM 481 C CG . ARG A 1 59 ? 12.403 -0.232 9.463 1.00 91.42 59 A 1 ATOM 482 C CD . ARG A 1 59 ? 11.634 0.497 10.560 1.00 87.60 59 A 1 ATOM 483 N NE . ARG A 1 59 ? 11.170 -0.406 11.609 1.00 80.64 59 A 1 ATOM 484 C CZ . ARG A 1 59 ? 10.216 -0.107 12.491 1.00 75.88 59 A 1 ATOM 485 N NH1 . ARG A 1 59 ? 9.612 1.067 12.445 1.00 69.60 59 A 1 ATOM 486 N NH2 . ARG A 1 59 ? 9.862 -0.987 13.417 1.00 67.85 59 A 1 ATOM 487 N N . CYS A 1 60 ? 10.520 -2.271 5.543 1.00 96.40 60 A 1 ATOM 488 C CA . CYS A 1 60 ? 9.507 -3.083 4.873 1.00 96.36 60 A 1 ATOM 489 C C . CYS A 1 60 ? 9.958 -3.540 3.487 1.00 96.01 60 A 1 ATOM 490 O O . CYS A 1 60 ? 10.622 -2.800 2.768 1.00 95.07 60 A 1 ATOM 491 C CB . CYS A 1 60 ? 8.199 -2.296 4.756 1.00 96.01 60 A 1 ATOM 492 S SG . CYS A 1 60 ? 7.522 -1.756 6.348 1.00 93.10 60 A 1 ATOM 493 N N . GLN A 1 61 ? 9.585 -4.767 3.110 1.00 96.32 61 A 1 ATOM 494 C CA . GLN A 1 61 ? 9.965 -5.310 1.807 1.00 95.87 61 A 1 ATOM 495 C C . GLN A 1 61 ? 9.072 -4.802 0.678 1.00 95.96 61 A 1 ATOM 496 O O . GLN A 1 61 ? 9.499 -4.739 -0.475 1.00 95.12 61 A 1 ATOM 497 C CB . GLN A 1 61 ? 9.933 -6.845 1.834 1.00 95.12 61 A 1 ATOM 498 C CG . GLN A 1 61 ? 10.873 -7.478 2.851 1.00 92.30 61 A 1 ATOM 499 C CD . GLN A 1 61 ? 10.971 -8.982 2.692 1.00 87.37 61 A 1 ATOM 500 O OE1 . GLN A 1 61 ? 11.365 -9.475 1.639 1.00 77.69 61 A 1 ATOM 501 N NE2 . GLN A 1 61 ? 10.607 -9.722 3.734 1.00 74.90 61 A 1 ATOM 502 N N . ARG A 1 62 ? 7.833 -4.443 1.012 1.00 96.74 62 A 1 ATOM 503 C CA . ARG A 1 62 ? 6.875 -3.968 0.014 1.00 97.13 62 A 1 ATOM 504 C C . ARG A 1 62 ? 6.135 -2.734 0.508 1.00 97.49 62 A 1 ATOM 505 O O . ARG A 1 62 ? 6.006 -2.513 1.712 1.00 96.99 62 A 1 ATOM 506 C CB . ARG A 1 62 ? 5.847 -5.054 -0.312 1.00 96.58 62 A 1 ATOM 507 C CG . ARG A 1 62 ? 6.419 -6.351 -0.875 1.00 94.32 62 A 1 ATOM 508 C CD . ARG A 1 62 ? 6.871 -6.192 -2.314 1.00 92.24 62 A 1 ATOM 509 N NE . ARG A 1 62 ? 7.299 -7.472 -2.885 1.00 90.36 62 A 1 ATOM 510 C CZ . ARG A 1 62 ? 8.507 -7.994 -2.748 1.00 88.30 62 A 1 ATOM 511 N NH1 . ARG A 1 62 ? 9.433 -7.356 -2.060 1.00 81.62 62 A 1 ATOM 512 N NH2 . ARG A 1 62 ? 8.788 -9.169 -3.291 1.00 84.46 62 A 1 ATOM 513 N N . LEU A 1 63 ? 5.651 -1.934 -0.437 1.00 97.65 63 A 1 ATOM 514 C CA . LEU A 1 63 ? 4.797 -0.795 -0.130 1.00 97.98 63 A 1 ATOM 515 C C . LEU A 1 63 ? 3.436 -1.053 -0.761 1.00 98.19 63 A 1 ATOM 516 O O . LEU A 1 63 ? 3.346 -1.297 -1.962 1.00 98.09 63 A 1 ATOM 517 C CB . LEU A 1 63 ? 5.388 0.509 -0.673 1.00 97.85 63 A 1 ATOM 518 C CG . LEU A 1 63 ? 4.464 1.738 -0.597 1.00 97.34 63 A 1 ATOM 519 C CD1 . LEU A 1 63 ? 4.121 2.070 0.847 1.00 96.71 63 A 1 ATOM 520 C CD2 . LEU A 1 63 ? 5.119 2.938 -1.278 1.00 96.44 63 A 1 ATOM 521 N N . ILE A 1 64 ? 2.395 -1.022 0.064 1.00 98.33 64 A 1 ATOM 522 C CA . ILE A 1 64 ? 1.026 -1.190 -0.414 1.00 98.50 64 A 1 ATOM 523 C C . ILE A 1 64 ? 0.256 0.094 -0.144 1.00 98.52 64 A 1 ATOM 524 O O . ILE A 1 64 ? 0.221 0.572 0.988 1.00 98.33 64 A 1 ATOM 525 C CB . ILE A 1 64 ? 0.313 -2.370 0.283 1.00 98.50 64 A 1 ATOM 526 C CG1 . ILE A 1 64 ? 1.051 -3.683 0.004 1.00 98.21 64 A 1 ATOM 527 C CG2 . ILE A 1 64 ? -1.141 -2.458 -0.191 1.00 98.16 64 A 1 ATOM 528 C CD1 . ILE A 1 64 ? 0.463 -4.882 0.734 1.00 97.81 64 A 1 ATOM 529 N N . VAL A 1 65 ? -0.350 0.655 -1.179 1.00 98.47 65 A 1 ATOM 530 C CA . VAL A 1 65 ? -1.149 1.868 -1.046 1.00 98.50 65 A 1 ATOM 531 C C . VAL A 1 65 ? -2.596 1.563 -1.408 1.00 98.50 65 A 1 ATOM 532 O O . VAL A 1 65 ? -2.881 1.112 -2.515 1.00 98.29 65 A 1 ATOM 533 C CB . VAL A 1 65 ? -0.618 2.996 -1.959 1.00 98.35 65 A 1 ATOM 534 C CG1 . VAL A 1 65 ? -1.503 4.232 -1.842 1.00 97.88 65 A 1 ATOM 535 C CG2 . VAL A 1 65 ? 0.822 3.338 -1.600 1.00 97.95 65 A 1 ATOM 536 N N . VAL A 1 66 ? -3.506 1.789 -0.468 1.00 98.49 66 A 1 ATOM 537 C CA . VAL A 1 66 ? -4.932 1.618 -0.729 1.00 98.56 66 A 1 ATOM 538 C C . VAL A 1 66 ? -5.415 2.898 -1.400 1.00 98.41 66 A 1 ATOM 539 O O . VAL A 1 66 ? -5.792 3.868 -0.735 1.00 98.05 66 A 1 ATOM 540 C CB . VAL A 1 66 ? -5.719 1.346 0.573 1.00 98.56 66 A 1 ATOM 541 C CG1 . VAL A 1 66 ? -7.192 1.124 0.261 1.00 98.24 66 A 1 ATOM 542 C CG2 . VAL A 1 66 ? -5.145 0.130 1.289 1.00 98.34 66 A 1 ATOM 543 N N . LEU A 1 67 ? -5.374 2.896 -2.720 1.00 98.01 67 A 1 ATOM 544 C CA . LEU A 1 67 ? -5.622 4.095 -3.519 1.00 97.67 67 A 1 ATOM 545 C C . LEU A 1 67 ? -7.111 4.356 -3.747 1.00 97.40 67 A 1 ATOM 546 O O . LEU A 1 67 ? -7.601 4.319 -4.873 1.00 96.48 67 A 1 ATOM 547 C CB . LEU A 1 67 ? -4.883 3.975 -4.856 1.00 97.15 67 A 1 ATOM 548 C CG . LEU A 1 67 ? -4.546 5.283 -5.582 1.00 95.35 67 A 1 ATOM 549 C CD1 . LEU A 1 67 ? -3.509 6.072 -4.791 1.00 93.55 67 A 1 ATOM 550 C CD2 . LEU A 1 67 ? -4.026 4.981 -6.985 1.00 93.64 67 A 1 ATOM 551 N N . SER A 1 68 ? -7.816 4.627 -2.664 1.00 97.68 68 A 1 ATOM 552 C CA . SER A 1 68 ? -9.238 4.938 -2.735 1.00 97.65 68 A 1 ATOM 553 C C . SER A 1 68 ? -9.454 6.366 -3.222 1.00 97.39 68 A 1 ATOM 554 O O . SER A 1 68 ? -8.510 7.152 -3.318 1.00 97.14 68 A 1 ATOM 555 C CB . SER A 1 68 ? -9.872 4.771 -1.354 1.00 97.61 68 A 1 ATOM 556 O OG . SER A 1 68 ? -9.352 5.727 -0.444 1.00 97.11 68 A 1 ATOM 557 N N . GLN A 1 69 ? -10.707 6.704 -3.517 1.00 96.57 69 A 1 ATOM 558 C CA . GLN A 1 69 ? -11.038 8.067 -3.915 1.00 95.96 69 A 1 ATOM 559 C C . GLN A 1 69 ? -10.684 9.041 -2.792 1.00 96.33 69 A 1 ATOM 560 O O . GLN A 1 69 ? -10.167 10.129 -3.045 1.00 95.78 69 A 1 ATOM 561 C CB . GLN A 1 69 ? -12.524 8.182 -4.265 1.00 94.37 69 A 1 ATOM 562 C CG . GLN A 1 69 ? -12.972 9.597 -4.630 1.00 80.68 69 A 1 ATOM 563 C CD . GLN A 1 69 ? -12.217 10.160 -5.820 1.00 72.28 69 A 1 ATOM 564 O OE1 . GLN A 1 69 ? -11.798 9.419 -6.710 1.00 65.44 69 A 1 ATOM 565 N NE2 . GLN A 1 69 ? -12.043 11.470 -5.840 1.00 61.35 69 A 1 ATOM 566 N N . SER A 1 70 ? -10.935 8.642 -1.548 1.00 96.67 70 A 1 ATOM 567 C CA . SER A 1 70 ? -10.602 9.481 -0.399 1.00 96.65 70 A 1 ATOM 568 C C . SER A 1 70 ? -9.091 9.669 -0.275 1.00 97.05 70 A 1 ATOM 569 O O . SER A 1 70 ? -8.616 10.739 0.102 1.00 96.66 70 A 1 ATOM 570 C CB . SER A 1 70 ? -11.158 8.875 0.888 1.00 96.06 70 A 1 ATOM 571 O OG . SER A 1 70 ? -12.577 8.850 0.862 1.00 86.42 70 A 1 ATOM 572 N N . TYR A 1 71 ? -8.333 8.624 -0.591 1.00 97.18 71 A 1 ATOM 573 C CA . TYR A 1 71 ? -6.874 8.709 -0.564 1.00 97.62 71 A 1 ATOM 574 C C . TYR A 1 71 ? -6.391 9.740 -1.581 1.00 97.36 71 A 1 ATOM 575 O O . TYR A 1 71 ? -5.490 10.534 -1.303 1.00 96.68 71 A 1 ATOM 576 C CB . TYR A 1 71 ? -6.256 7.341 -0.860 1.00 97.74 71 A 1 ATOM 577 C CG . TYR A 1 71 ? -4.773 7.249 -0.539 1.00 98.14 71 A 1 ATOM 578 C CD1 . TYR A 1 71 ? -3.811 7.724 -1.423 1.00 97.71 71 A 1 ATOM 579 C CD2 . TYR A 1 71 ? -4.343 6.680 0.657 1.00 97.64 71 A 1 ATOM 580 C CE1 . TYR A 1 71 ? -2.458 7.648 -1.121 1.00 97.37 71 A 1 ATOM 581 C CE2 . TYR A 1 71 ? -2.992 6.595 0.961 1.00 97.31 71 A 1 ATOM 582 C CZ . TYR A 1 71 ? -2.056 7.084 0.073 1.00 97.68 71 A 1 ATOM 583 O OH . TYR A 1 71 ? -0.714 7.003 0.374 1.00 97.22 71 A 1 ATOM 584 N N . LEU A 1 72 ? -7.014 9.732 -2.756 1.00 97.13 72 A 1 ATOM 585 C CA . LEU A 1 72 ? -6.646 10.645 -3.833 1.00 96.74 72 A 1 ATOM 586 C C . LEU A 1 72 ? -7.072 12.087 -3.567 1.00 96.33 72 A 1 ATOM 587 O O . LEU A 1 72 ? -6.700 12.988 -4.318 1.00 95.46 72 A 1 ATOM 588 C CB . LEU A 1 72 ? -7.241 10.154 -5.158 1.00 96.35 72 A 1 ATOM 589 C CG . LEU A 1 72 ? -6.642 8.853 -5.698 1.00 95.47 72 A 1 ATOM 590 C CD1 . LEU A 1 72 ? -7.425 8.351 -6.902 1.00 94.72 72 A 1 ATOM 591 C CD2 . LEU A 1 72 ? -5.179 9.067 -6.069 1.00 94.68 72 A 1 ATOM 592 N N . GLU A 1 73 ? -7.843 12.305 -2.509 1.00 96.43 73 A 1 ATOM 593 C CA . GLU A 1 73 ? -8.266 13.652 -2.134 1.00 95.83 73 A 1 ATOM 594 C C . GLU A 1 73 ? -7.231 14.341 -1.246 1.00 95.76 73 A 1 ATOM 595 O O . GLU A 1 73 ? -7.376 15.516 -0.913 1.00 94.70 73 A 1 ATOM 596 C CB . GLU A 1 73 ? -9.627 13.607 -1.425 1.00 95.00 73 A 1 ATOM 597 C CG . GLU A 1 73 ? -10.780 13.230 -2.345 1.00 91.67 73 A 1 ATOM 598 C CD . GLU A 1 73 ? -12.087 13.013 -1.594 1.00 86.95 73 A 1 ATOM 599 O OE1 . GLU A 1 73 ? -12.093 13.145 -0.354 1.00 80.87 73 A 1 ATOM 600 O OE2 . GLU A 1 73 ? -13.102 12.700 -2.249 1.00 81.08 73 A 1 ATOM 601 N N . GLN A 1 74 ? -6.182 13.610 -0.862 1.00 96.20 74 A 1 ATOM 602 C CA . GLN A 1 74 ? -5.108 14.209 -0.082 1.00 95.94 74 A 1 ATOM 603 C C . GLN A 1 74 ? -4.432 15.306 -0.901 1.00 95.90 74 A 1 ATOM 604 O O . GLN A 1 74 ? -4.374 15.236 -2.127 1.00 95.28 74 A 1 ATOM 605 C CB . GLN A 1 74 ? -4.079 13.153 0.333 1.00 95.46 74 A 1 ATOM 606 C CG . GLN A 1 74 ? -4.579 12.177 1.383 1.00 94.30 74 A 1 ATOM 607 C CD . GLN A 1 74 ? -3.543 11.141 1.752 1.00 94.96 74 A 1 ATOM 608 O OE1 . GLN A 1 74 ? -3.028 11.127 2.867 1.00 88.50 74 A 1 ATOM 609 N NE2 . GLN A 1 74 ? -3.221 10.269 0.806 1.00 87.81 74 A 1 ATOM 610 N N . GLU A 1 75 ? -3.912 16.320 -0.207 1.00 95.70 75 A 1 ATOM 611 C CA . GLU A 1 75 ? -3.351 17.489 -0.877 1.00 95.32 75 A 1 ATOM 612 C C . GLU A 1 75 ? -2.262 17.141 -1.894 1.00 95.39 75 A 1 ATOM 613 O O . GLU A 1 75 ? -2.237 17.688 -2.994 1.00 94.18 75 A 1 ATOM 614 C CB . GLU A 1 75 ? -2.804 18.481 0.155 1.00 94.25 75 A 1 ATOM 615 C CG . GLU A 1 75 ? -2.368 19.811 -0.440 1.00 83.12 75 A 1 ATOM 616 C CD . GLU A 1 75 ? -1.875 20.796 0.616 1.00 74.90 75 A 1 ATOM 617 O OE1 . GLU A 1 75 ? -1.858 22.009 0.327 1.00 68.64 75 A 1 ATOM 618 O OE2 . GLU A 1 75 ? -1.515 20.357 1.727 1.00 67.68 75 A 1 ATOM 619 N N . TRP A 1 76 ? -1.358 16.232 -1.537 1.00 95.51 76 A 1 ATOM 620 C CA . TRP A 1 76 ? -0.272 15.890 -2.452 1.00 95.71 76 A 1 ATOM 621 C C . TRP A 1 76 ? -0.788 15.215 -3.719 1.00 96.03 76 A 1 ATOM 622 O O . TRP A 1 76 ? -0.198 15.358 -4.789 1.00 95.14 76 A 1 ATOM 623 C CB . TRP A 1 76 ? 0.783 15.017 -1.764 1.00 95.19 76 A 1 ATOM 624 C CG . TRP A 1 76 ? 0.419 13.569 -1.547 1.00 95.84 76 A 1 ATOM 625 C CD1 . TRP A 1 76 ? -0.103 13.014 -0.418 1.00 94.31 76 A 1 ATOM 626 C CD2 . TRP A 1 76 ? 0.605 12.488 -2.475 1.00 96.55 76 A 1 ATOM 627 N NE1 . TRP A 1 76 ? -0.261 11.659 -0.579 1.00 93.98 76 A 1 ATOM 628 C CE2 . TRP A 1 76 ? 0.164 11.305 -1.834 1.00 96.00 76 A 1 ATOM 629 C CE3 . TRP A 1 76 ? 1.107 12.401 -3.779 1.00 95.29 76 A 1 ATOM 630 C CZ2 . TRP A 1 76 ? 0.199 10.058 -2.460 1.00 95.25 76 A 1 ATOM 631 C CZ3 . TRP A 1 76 ? 1.135 11.155 -4.398 1.00 94.98 76 A 1 ATOM 632 C CH2 . TRP A 1 76 ? 0.688 10.004 -3.741 1.00 95.06 76 A 1 ATOM 633 N N . CYS A 1 77 ? -1.894 14.509 -3.600 1.00 96.14 77 A 1 ATOM 634 C CA . CYS A 1 77 ? -2.490 13.847 -4.756 1.00 95.90 77 A 1 ATOM 635 C C . CYS A 1 77 ? -3.170 14.844 -5.693 1.00 95.40 77 A 1 ATOM 636 O O . CYS A 1 77 ? -3.125 14.692 -6.909 1.00 94.75 77 A 1 ATOM 637 C CB . CYS A 1 77 ? -3.501 12.789 -4.305 1.00 95.99 77 A 1 ATOM 638 S SG . CYS A 1 77 ? -2.771 11.385 -3.422 1.00 95.55 77 A 1 ATOM 639 N N . THR A 1 78 ? -3.796 15.865 -5.126 1.00 95.59 78 A 1 ATOM 640 C CA . THR A 1 78 ? -4.524 16.844 -5.930 1.00 94.68 78 A 1 ATOM 641 C C . THR A 1 78 ? -3.622 17.941 -6.487 1.00 94.12 78 A 1 ATOM 642 O O . THR A 1 78 ? -3.968 18.582 -7.477 1.00 92.12 78 A 1 ATOM 643 C CB . THR A 1 78 ? -5.652 17.502 -5.114 1.00 94.00 78 A 1 ATOM 644 O OG1 . THR A 1 78 ? -5.100 18.194 -3.988 1.00 90.40 78 A 1 ATOM 645 C CG2 . THR A 1 78 ? -6.639 16.456 -4.621 1.00 89.83 78 A 1 ATOM 646 N N . THR A 1 79 ? -2.462 18.163 -5.857 1.00 94.96 79 A 1 ATOM 647 C CA . THR A 1 79 ? -1.574 19.249 -6.270 1.00 93.74 79 A 1 ATOM 648 C C . THR A 1 79 ? -0.361 18.780 -7.070 1.00 93.53 79 A 1 ATOM 649 O O . THR A 1 79 ? 0.063 19.458 -8.004 1.00 90.90 79 A 1 ATOM 650 C CB . THR A 1 79 ? -1.067 20.053 -5.059 1.00 92.27 79 A 1 ATOM 651 O OG1 . THR A 1 79 ? -0.342 19.188 -4.173 1.00 87.47 79 A 1 ATOM 652 C CG2 . THR A 1 79 ? -2.230 20.683 -4.309 1.00 84.99 79 A 1 ATOM 653 N N . ASN A 1 80 ? 0.208 17.636 -6.709 1.00 95.07 80 A 1 ATOM 654 C CA . ASN A 1 80 ? 1.407 17.151 -7.392 1.00 95.24 80 A 1 ATOM 655 C C . ASN A 1 80 ? 1.538 15.630 -7.321 1.00 96.23 80 A 1 ATOM 656 O O . ASN A 1 80 ? 2.505 15.099 -6.766 1.00 95.21 80 A 1 ATOM 657 C CB . ASN A 1 80 ? 2.655 17.816 -6.802 1.00 92.28 80 A 1 ATOM 658 C CG . ASN A 1 80 ? 3.845 17.777 -7.741 1.00 83.04 80 A 1 ATOM 659 O OD1 . ASN A 1 80 ? 3.856 17.036 -8.722 1.00 74.66 80 A 1 ATOM 660 N ND2 . ASN A 1 80 ? 4.854 18.593 -7.445 1.00 73.39 80 A 1 ATOM 661 N N . PHE A 1 81 ? 0.560 14.935 -7.888 1.00 95.98 81 A 1 ATOM 662 C CA . PHE A 1 81 ? 0.552 13.476 -7.870 1.00 96.49 81 A 1 ATOM 663 C C . PHE A 1 81 ? 1.765 12.892 -8.590 1.00 96.69 81 A 1 ATOM 664 O O . PHE A 1 81 ? 2.310 11.872 -8.170 1.00 96.63 81 A 1 ATOM 665 C CB . PHE A 1 81 ? -0.736 12.938 -8.502 1.00 96.30 81 A 1 ATOM 666 C CG . PHE A 1 81 ? -0.857 11.441 -8.439 1.00 96.57 81 A 1 ATOM 667 C CD1 . PHE A 1 81 ? -1.240 10.810 -7.265 1.00 96.06 81 A 1 ATOM 668 C CD2 . PHE A 1 81 ? -0.582 10.663 -9.555 1.00 95.94 81 A 1 ATOM 669 C CE1 . PHE A 1 81 ? -1.349 9.431 -7.202 1.00 95.32 81 A 1 ATOM 670 C CE2 . PHE A 1 81 ? -0.686 9.282 -9.499 1.00 95.19 81 A 1 ATOM 671 C CZ . PHE A 1 81 ? -1.069 8.667 -8.320 1.00 95.56 81 A 1 ATOM 672 N N . ARG A 1 82 ? 2.188 13.549 -9.668 1.00 96.24 82 A 1 ATOM 673 C CA . ARG A 1 82 ? 3.329 13.076 -10.445 1.00 96.18 82 A 1 ATOM 674 C C . ARG A 1 82 ? 4.591 12.976 -9.588 1.00 96.42 82 A 1 ATOM 675 O O . ARG A 1 82 ? 5.292 11.963 -9.618 1.00 96.28 82 A 1 ATOM 676 C CB . ARG A 1 82 ? 3.580 13.999 -11.643 1.00 95.25 82 A 1 ATOM 677 C CG . ARG A 1 82 ? 4.723 13.540 -12.541 1.00 87.99 82 A 1 ATOM 678 C CD . ARG A 1 82 ? 4.935 14.501 -13.697 1.00 83.28 82 A 1 ATOM 679 N NE . ARG A 1 82 ? 3.755 14.616 -14.548 1.00 72.15 82 A 1 ATOM 680 C CZ . ARG A 1 82 ? 3.425 13.748 -15.499 1.00 64.59 82 A 1 ATOM 681 N NH1 . ARG A 1 82 ? 4.181 12.688 -15.735 1.00 58.13 82 A 1 ATOM 682 N NH2 . ARG A 1 82 ? 2.329 13.938 -16.216 1.00 55.66 82 A 1 ATOM 683 N N . GLN A 1 83 ? 4.878 14.035 -8.828 1.00 96.63 83 A 1 ATOM 684 C CA . GLN A 1 83 ? 6.061 14.058 -7.976 1.00 96.80 83 A 1 ATOM 685 C C . GLN A 1 83 ? 5.954 13.021 -6.864 1.00 97.16 83 A 1 ATOM 686 O O . GLN A 1 83 ? 6.924 12.327 -6.551 1.00 97.16 83 A 1 ATOM 687 C CB . GLN A 1 83 ? 6.263 15.451 -7.372 1.00 96.14 83 A 1 ATOM 688 C CG . GLN A 1 83 ? 7.546 15.609 -6.559 1.00 87.57 83 A 1 ATOM 689 C CD . GLN A 1 83 ? 8.797 15.444 -7.404 1.00 80.73 83 A 1 ATOM 690 O OE1 . GLN A 1 83 ? 8.808 15.778 -8.587 1.00 73.92 83 A 1 ATOM 691 N NE2 . GLN A 1 83 ? 9.856 14.931 -6.796 1.00 68.81 83 A 1 ATOM 692 N N . GLY A 1 84 ? 4.772 12.919 -6.259 1.00 97.53 84 A 1 ATOM 693 C CA . GLY A 1 84 ? 4.555 11.946 -5.196 1.00 97.52 84 A 1 ATOM 694 C C . GLY A 1 84 ? 4.721 10.518 -5.685 1.00 97.70 84 A 1 ATOM 695 O O . GLY A 1 84 ? 5.374 9.700 -5.032 1.00 97.53 84 A 1 ATOM 696 N N . LEU A 1 85 ? 4.146 10.215 -6.840 1.00 97.49 85 A 1 ATOM 697 C CA . LEU A 1 85 ? 4.251 8.880 -7.424 1.00 97.48 85 A 1 ATOM 698 C C . LEU A 1 85 ? 5.707 8.533 -7.714 1.00 97.44 85 A 1 ATOM 699 O O . LEU A 1 85 ? 6.148 7.408 -7.473 1.00 97.33 85 A 1 ATOM 700 C CB . LEU A 1 85 ? 3.420 8.794 -8.706 1.00 97.25 85 A 1 ATOM 701 C CG . LEU A 1 85 ? 3.465 7.459 -9.459 1.00 96.55 85 A 1 ATOM 702 C CD1 . LEU A 1 85 ? 2.984 6.326 -8.567 1.00 95.78 85 A 1 ATOM 703 C CD2 . LEU A 1 85 ? 2.617 7.544 -10.722 1.00 95.62 85 A 1 ATOM 704 N N . TRP A 1 86 ? 6.454 9.511 -8.228 1.00 97.13 86 A 1 ATOM 705 C CA . TRP A 1 86 ? 7.869 9.311 -8.517 1.00 96.81 86 A 1 ATOM 706 C C . TRP A 1 86 ? 8.648 8.945 -7.253 1.00 97.01 86 A 1 ATOM 707 O O . TRP A 1 86 ? 9.513 8.063 -7.280 1.00 96.62 86 A 1 ATOM 708 C CB . TRP A 1 86 ? 8.465 10.571 -9.150 1.00 95.79 86 A 1 ATOM 709 C CG . TRP A 1 86 ? 9.894 10.420 -9.567 1.00 84.57 86 A 1 ATOM 710 C CD1 . TRP A 1 86 ? 10.360 9.927 -10.753 1.00 71.65 86 A 1 ATOM 711 C CD2 . TRP A 1 86 ? 11.057 10.751 -8.790 1.00 77.45 86 A 1 ATOM 712 N NE1 . TRP A 1 86 ? 11.735 9.935 -10.771 1.00 64.43 86 A 1 ATOM 713 C CE2 . TRP A 1 86 ? 12.190 10.435 -9.573 1.00 72.44 86 A 1 ATOM 714 C CE3 . TRP A 1 86 ? 11.248 11.293 -7.513 1.00 61.77 86 A 1 ATOM 715 C CZ2 . TRP A 1 86 ? 13.491 10.641 -9.116 1.00 62.92 86 A 1 ATOM 716 C CZ3 . TRP A 1 86 ? 12.547 11.491 -7.061 1.00 56.80 86 A 1 ATOM 717 C CH2 . TRP A 1 86 ? 13.646 11.168 -7.860 1.00 58.59 86 A 1 ATOM 718 N N . HIS A 1 87 ? 8.332 9.618 -6.149 1.00 97.44 87 A 1 ATOM 719 C CA . HIS A 1 87 ? 8.981 9.320 -4.877 1.00 97.53 87 A 1 ATOM 720 C C . HIS A 1 87 ? 8.677 7.895 -4.411 1.00 97.54 87 A 1 ATOM 721 O O . HIS A 1 87 ? 9.567 7.181 -3.942 1.00 97.27 87 A 1 ATOM 722 C CB . HIS A 1 87 ? 8.546 10.322 -3.800 1.00 97.53 87 A 1 ATOM 723 C CG . HIS A 1 87 ? 9.253 11.645 -3.873 1.00 96.85 87 A 1 ATOM 724 N ND1 . HIS A 1 87 ? 10.621 11.761 -3.834 1.00 87.99 87 A 1 ATOM 725 C CD2 . HIS A 1 87 ? 8.775 12.904 -3.961 1.00 88.70 87 A 1 ATOM 726 C CE1 . HIS A 1 87 ? 10.961 13.039 -3.903 1.00 91.62 87 A 1 ATOM 727 N NE2 . HIS A 1 87 ? 9.858 13.758 -3.979 1.00 92.50 87 A 1 ATOM 728 N N . LEU A 1 88 ? 7.425 7.480 -4.537 1.00 97.72 88 A 1 ATOM 729 C CA . LEU A 1 88 ? 7.034 6.141 -4.108 1.00 97.71 88 A 1 ATOM 730 C C . LEU A 1 88 ? 7.745 5.067 -4.928 1.00 97.46 88 A 1 ATOM 731 O O . LEU A 1 88 ? 8.159 4.040 -4.393 1.00 96.97 88 A 1 ATOM 732 C CB . LEU A 1 88 ? 5.515 5.963 -4.202 1.00 97.76 88 A 1 ATOM 733 C CG . LEU A 1 88 ? 4.675 6.875 -3.301 1.00 97.44 88 A 1 ATOM 734 C CD1 . LEU A 1 88 ? 3.200 6.538 -3.438 1.00 97.19 88 A 1 ATOM 735 C CD2 . LEU A 1 88 ? 5.122 6.757 -1.848 1.00 97.03 88 A 1 ATOM 736 N N . ILE A 1 89 ? 7.888 5.317 -6.224 1.00 97.61 89 A 1 ATOM 737 C CA . ILE A 1 89 ? 8.581 4.377 -7.101 1.00 97.30 89 A 1 ATOM 738 C C . ILE A 1 89 ? 10.068 4.315 -6.751 1.00 96.69 89 A 1 ATOM 739 O O . ILE A 1 89 ? 10.687 3.252 -6.804 1.00 95.79 89 A 1 ATOM 740 C CB . ILE A 1 89 ? 8.393 4.771 -8.582 1.00 97.30 89 A 1 ATOM 741 C CG1 . ILE A 1 89 ? 6.923 4.608 -8.979 1.00 96.74 89 A 1 ATOM 742 C CG2 . ILE A 1 89 ? 9.290 3.937 -9.489 1.00 96.55 89 A 1 ATOM 743 C CD1 . ILE A 1 89 ? 6.590 5.119 -10.365 1.00 95.51 89 A 1 ATOM 744 N N . GLU A 1 90 ? 10.638 5.459 -6.380 1.00 97.02 90 A 1 ATOM 745 C CA . GLU A 1 90 ? 12.046 5.517 -5.999 1.00 96.31 90 A 1 ATOM 746 C C . GLU A 1 90 ? 12.304 4.813 -4.664 1.00 96.00 90 A 1 ATOM 747 O O . GLU A 1 90 ? 13.304 4.111 -4.505 1.00 94.67 90 A 1 ATOM 748 C CB . GLU A 1 90 ? 12.513 6.976 -5.910 1.00 95.03 90 A 1 ATOM 749 C CG . GLU A 1 90 ? 13.984 7.142 -5.556 1.00 79.04 90 A 1 ATOM 750 C CD . GLU A 1 90 ? 14.386 8.594 -5.323 1.00 73.92 90 A 1 ATOM 751 O OE1 . GLU A 1 90 ? 15.534 8.944 -5.645 1.00 67.97 90 A 1 ATOM 752 O OE2 . GLU A 1 90 ? 13.555 9.370 -4.817 1.00 67.69 90 A 1 ATOM 753 N N . LEU A 1 91 ? 11.393 5.003 -3.709 1.00 96.44 91 A 1 ATOM 754 C CA . LEU A 1 91 ? 11.568 4.456 -2.367 1.00 95.71 91 A 1 ATOM 755 C C . LEU A 1 91 ? 11.239 2.971 -2.262 1.00 94.74 91 A 1 ATOM 756 O O . LEU A 1 91 ? 11.773 2.275 -1.395 1.00 92.76 91 A 1 ATOM 757 C CB . LEU A 1 91 ? 10.714 5.243 -1.367 1.00 95.61 91 A 1 ATOM 758 C CG . LEU A 1 91 ? 11.123 6.697 -1.127 1.00 94.97 91 A 1 ATOM 759 C CD1 . LEU A 1 91 ? 10.064 7.418 -0.303 1.00 93.73 91 A 1 ATOM 760 C CD2 . LEU A 1 91 ? 12.474 6.756 -0.429 1.00 93.43 91 A 1 ATOM 761 N N . SER A 1 92 ? 10.368 2.484 -3.142 1.00 94.94 92 A 1 ATOM 762 C CA . SER A 1 92 ? 9.951 1.088 -3.102 1.00 92.98 92 A 1 ATOM 763 C C . SER A 1 92 ? 9.915 0.494 -4.503 1.00 90.76 92 A 1 ATOM 764 O O . SER A 1 92 ? 9.270 1.034 -5.394 1.00 84.28 92 A 1 ATOM 765 C CB . SER A 1 92 ? 8.572 0.961 -2.455 1.00 90.91 92 A 1 ATOM 766 O OG . SER A 1 92 ? 8.140 -0.386 -2.424 1.00 79.51 92 A 1 ATOM 767 N N . ARG A 1 93 ? 10.616 -0.616 -4.694 1.00 86.61 93 A 1 ATOM 768 C CA . ARG A 1 93 ? 10.642 -1.279 -5.990 1.00 85.70 93 A 1 ATOM 769 C C . ARG A 1 93 ? 9.267 -1.869 -6.299 1.00 86.78 93 A 1 ATOM 770 O O . ARG A 1 93 ? 8.797 -2.763 -5.600 1.00 80.20 93 A 1 ATOM 771 C CB . ARG A 1 93 ? 11.709 -2.371 -6.009 1.00 78.76 93 A 1 ATOM 772 C CG . ARG A 1 93 ? 11.948 -2.978 -7.390 1.00 67.39 93 A 1 ATOM 773 C CD . ARG A 1 93 ? 13.175 -3.873 -7.393 1.00 64.44 93 A 1 ATOM 774 N NE . ARG A 1 93 ? 13.498 -4.385 -8.726 1.00 56.22 93 A 1 ATOM 775 C CZ . ARG A 1 93 ? 13.020 -5.512 -9.237 1.00 50.14 93 A 1 ATOM 776 N NH1 . ARG A 1 93 ? 12.198 -6.267 -8.531 1.00 46.89 93 A 1 ATOM 777 N NH2 . ARG A 1 93 ? 13.364 -5.885 -10.458 1.00 42.78 93 A 1 ATOM 778 N N . LYS A 1 94 ? 8.648 -1.342 -7.367 1.00 93.62 94 A 1 ATOM 779 C CA . LYS A 1 94 ? 7.306 -1.753 -7.787 1.00 95.36 94 A 1 ATOM 780 C C . LYS A 1 94 ? 6.276 -1.684 -6.656 1.00 96.53 94 A 1 ATOM 781 O O . LYS A 1 94 ? 5.791 -2.714 -6.180 1.00 96.01 94 A 1 ATOM 782 C CB . LYS A 1 94 ? 7.336 -3.165 -8.384 1.00 94.03 94 A 1 ATOM 783 C CG . LYS A 1 94 ? 8.047 -3.244 -9.722 1.00 90.60 94 A 1 ATOM 784 C CD . LYS A 1 94 ? 7.883 -4.617 -10.361 1.00 88.91 94 A 1 ATOM 785 C CE . LYS A 1 94 ? 6.452 -4.843 -10.834 1.00 84.90 94 A 1 ATOM 786 N NZ . LYS A 1 94 ? 6.060 -3.915 -11.918 1.00 77.28 94 A 1 ATOM 787 N N . PRO A 1 95 ? 5.942 -0.457 -6.210 1.00 97.56 95 A 1 ATOM 788 C CA . PRO A 1 95 ? 4.920 -0.298 -5.172 1.00 97.83 95 A 1 ATOM 789 C C . PRO A 1 95 ? 3.589 -0.888 -5.626 1.00 98.11 95 A 1 ATOM 790 O O . PRO A 1 95 ? 3.270 -0.878 -6.819 1.00 97.85 95 A 1 ATOM 791 C CB . PRO A 1 95 ? 4.828 1.218 -4.983 1.00 97.28 95 A 1 ATOM 792 C CG . PRO A 1 95 ? 5.337 1.786 -6.271 1.00 95.00 95 A 1 ATOM 793 C CD . PRO A 1 95 ? 6.432 0.850 -6.687 1.00 97.30 95 A 1 ATOM 794 N N . ILE A 1 96 ? 2.832 -1.406 -4.669 1.00 98.30 96 A 1 ATOM 795 C CA . ILE A 1 96 ? 1.552 -2.045 -4.949 1.00 98.42 96 A 1 ATOM 796 C C . ILE A 1 96 ? 0.410 -1.070 -4.674 1.00 98.44 96 A 1 ATOM 797 O O . ILE A 1 96 ? 0.298 -0.537 -3.574 1.00 98.30 96 A 1 ATOM 798 C CB . ILE A 1 96 ? 1.375 -3.308 -4.081 1.00 98.39 96 A 1 ATOM 799 C CG1 . ILE A 1 96 ? 2.539 -4.279 -4.316 1.00 97.97 96 A 1 ATOM 800 C CG2 . ILE A 1 96 ? 0.037 -3.981 -4.377 1.00 98.00 96 A 1 ATOM 801 C CD1 . ILE A 1 96 ? 2.655 -5.362 -3.258 1.00 97.16 96 A 1 ATOM 802 N N . PHE A 1 97 ? -0.426 -0.840 -5.677 1.00 98.18 97 A 1 ATOM 803 C CA . PHE A 1 97 ? -1.576 0.047 -5.540 1.00 98.17 97 A 1 ATOM 804 C C . PHE A 1 97 ? -2.868 -0.751 -5.632 1.00 98.02 97 A 1 ATOM 805 O O . PHE A 1 97 ? -3.121 -1.425 -6.629 1.00 97.55 97 A 1 ATOM 806 C CB . PHE A 1 97 ? -1.557 1.133 -6.616 1.00 98.01 97 A 1 ATOM 807 C CG . PHE A 1 97 ? -0.422 2.112 -6.480 1.00 97.91 97 A 1 ATOM 808 C CD1 . PHE A 1 97 ? -0.512 3.180 -5.600 1.00 96.83 97 A 1 ATOM 809 C CD2 . PHE A 1 97 ? 0.738 1.964 -7.233 1.00 96.68 97 A 1 ATOM 810 C CE1 . PHE A 1 97 ? 0.534 4.087 -5.470 1.00 95.90 97 A 1 ATOM 811 C CE2 . PHE A 1 97 ? 1.787 2.865 -7.103 1.00 95.77 97 A 1 ATOM 812 C CZ . PHE A 1 97 ? 1.682 3.930 -6.221 1.00 96.39 97 A 1 ATOM 813 N N . ILE A 1 98 ? -3.675 -0.677 -4.581 1.00 98.21 98 A 1 ATOM 814 C CA . ILE A 1 98 ? -4.976 -1.333 -4.566 1.00 98.30 98 A 1 ATOM 815 C C . ILE A 1 98 ? -6.050 -0.295 -4.872 1.00 98.09 98 A 1 ATOM 816 O O . ILE A 1 98 ? -6.152 0.716 -4.179 1.00 97.82 98 A 1 ATOM 817 C CB . ILE A 1 98 ? -5.268 -1.988 -3.200 1.00 98.45 98 A 1 ATOM 818 C CG1 . ILE A 1 98 ? -4.246 -3.088 -2.910 1.00 98.22 98 A 1 ATOM 819 C CG2 . ILE A 1 98 ? -6.692 -2.545 -3.174 1.00 98.32 98 A 1 ATOM 820 C CD1 . ILE A 1 98 ? -4.393 -3.719 -1.533 1.00 97.92 98 A 1 ATOM 821 N N . ILE A 1 99 ? -6.833 -0.539 -5.915 1.00 97.45 99 A 1 ATOM 822 C CA . ILE A 1 99 ? -7.927 0.355 -6.273 1.00 97.23 99 A 1 ATOM 823 C C . ILE A 1 99 ? -9.255 -0.377 -6.131 1.00 97.51 99 A 1 ATOM 824 O O . ILE A 1 99 ? -9.328 -1.595 -6.306 1.00 97.24 99 A 1 ATOM 825 C CB . ILE A 1 99 ? -7.786 0.894 -7.720 1.00 96.09 99 A 1 ATOM 826 C CG1 . ILE A 1 99 ? -7.786 -0.255 -8.733 1.00 86.82 99 A 1 ATOM 827 C CG2 . ILE A 1 99 ? -6.520 1.730 -7.850 1.00 82.51 99 A 1 ATOM 828 C CD1 . ILE A 1 99 ? -7.738 0.195 -10.180 1.00 77.35 99 A 1 ATOM 829 N N . PHE A 1 100 ? -10.308 0.371 -5.803 1.00 97.33 100 A 1 ATOM 830 C CA . PHE A 1 100 ? -11.644 -0.201 -5.683 1.00 97.32 100 A 1 ATOM 831 C C . PHE A 1 100 ? -12.371 -0.081 -7.017 1.00 96.74 100 A 1 ATOM 832 O O . PHE A 1 100 ? -12.461 1.005 -7.583 1.00 95.76 100 A 1 ATOM 833 C CB . PHE A 1 100 ? -12.433 0.507 -4.584 1.00 97.30 100 A 1 ATOM 834 C CG . PHE A 1 100 ? -11.854 0.316 -3.204 1.00 97.64 100 A 1 ATOM 835 C CD1 . PHE A 1 100 ? -11.843 -0.938 -2.610 1.00 96.76 100 A 1 ATOM 836 C CD2 . PHE A 1 100 ? -11.326 1.391 -2.501 1.00 96.70 100 A 1 ATOM 837 C CE1 . PHE A 1 100 ? -11.313 -1.117 -1.338 1.00 96.33 100 A 1 ATOM 838 C CE2 . PHE A 1 100 ? -10.798 1.220 -1.229 1.00 96.36 100 A 1 ATOM 839 C CZ . PHE A 1 100 ? -10.792 -0.040 -0.648 1.00 96.73 100 A 1 ATOM 840 N N . GLN A 1 101 ? -12.885 -1.199 -7.510 1.00 96.42 101 A 1 ATOM 841 C CA . GLN A 1 101 ? -13.586 -1.225 -8.793 1.00 95.87 101 A 1 ATOM 842 C C . GLN A 1 101 ? -14.754 -0.243 -8.814 1.00 95.27 101 A 1 ATOM 843 O O . GLN A 1 101 ? -15.008 0.410 -9.825 1.00 94.31 101 A 1 ATOM 844 C CB . GLN A 1 101 ? -14.081 -2.645 -9.093 1.00 95.15 101 A 1 ATOM 845 C CG . GLN A 1 101 ? -14.754 -2.803 -10.448 1.00 88.64 101 A 1 ATOM 846 C CD . GLN A 1 101 ? -15.168 -4.237 -10.730 1.00 84.48 101 A 1 ATOM 847 O OE1 . GLN A 1 101 ? -14.914 -5.138 -9.934 1.00 76.70 101 A 1 ATOM 848 N NE2 . GLN A 1 101 ? -15.809 -4.458 -11.870 1.00 74.03 101 A 1 ATOM 849 N N . SER A 1 102 ? -15.444 -0.124 -7.681 1.00 95.22 102 A 1 ATOM 850 C CA . SER A 1 102 ? -16.596 0.766 -7.571 1.00 94.58 102 A 1 ATOM 851 C C . SER A 1 102 ? -16.210 2.242 -7.648 1.00 94.53 102 A 1 ATOM 852 O O . SER A 1 102 ? -17.057 3.091 -7.920 1.00 93.01 102 A 1 ATOM 853 C CB . SER A 1 102 ? -17.343 0.498 -6.259 1.00 93.88 102 A 1 ATOM 854 O OG . SER A 1 102 ? -16.507 0.738 -5.141 1.00 90.30 102 A 1 ATOM 855 N N . GLN A 1 103 ? -14.932 2.541 -7.410 1.00 94.63 103 A 1 ATOM 856 C CA . GLN A 1 103 ? -14.451 3.922 -7.417 1.00 93.90 103 A 1 ATOM 857 C C . GLN A 1 103 ? -13.549 4.228 -8.609 1.00 93.36 103 A 1 ATOM 858 O O . GLN A 1 103 ? -13.119 5.368 -8.790 1.00 91.39 103 A 1 ATOM 859 C CB . GLN A 1 103 ? -13.693 4.227 -6.119 1.00 92.68 103 A 1 ATOM 860 C CG . GLN A 1 103 ? -14.511 4.037 -4.851 1.00 91.44 103 A 1 ATOM 861 C CD . GLN A 1 103 ? -13.699 4.290 -3.594 1.00 92.33 103 A 1 ATOM 862 O OE1 . GLN A 1 103 ? -12.539 4.686 -3.657 1.00 88.46 103 A 1 ATOM 863 N NE2 . GLN A 1 103 ? -14.313 4.057 -2.436 1.00 88.53 103 A 1 ATOM 864 N N . GLN A 1 104 ? -13.260 3.217 -9.420 1.00 91.12 104 A 1 ATOM 865 C CA . GLN A 1 104 ? -12.326 3.376 -10.532 1.00 89.48 104 A 1 ATOM 866 C C . GLN A 1 104 ? -12.735 4.492 -11.493 1.00 89.58 104 A 1 ATOM 867 O O . GLN A 1 104 ? -11.887 5.227 -12.001 1.00 87.79 104 A 1 ATOM 868 C CB . GLN A 1 104 ? -12.182 2.055 -11.290 1.00 86.11 104 A 1 ATOM 869 C CG . GLN A 1 104 ? -11.083 2.053 -12.340 1.00 77.77 104 A 1 ATOM 870 C CD . GLN A 1 104 ? -10.859 0.683 -12.950 1.00 74.69 104 A 1 ATOM 871 O OE1 . GLN A 1 104 ? -11.581 -0.268 -12.655 1.00 68.28 104 A 1 ATOM 872 N NE2 . GLN A 1 104 ? -9.850 0.570 -13.800 1.00 64.96 104 A 1 ATOM 873 N N . LYS A 1 105 ? -14.033 4.632 -11.736 1.00 91.19 105 A 1 ATOM 874 C CA . LYS A 1 105 ? -14.546 5.656 -12.639 1.00 91.34 105 A 1 ATOM 875 C C . LYS A 1 105 ? -14.395 7.068 -12.080 1.00 91.99 105 A 1 ATOM 876 O O . LYS A 1 105 ? -14.486 8.044 -12.821 1.00 89.70 105 A 1 ATOM 877 C CB . LYS A 1 105 ? -16.021 5.382 -12.955 1.00 89.91 105 A 1 ATOM 878 C CG . LYS A 1 105 ? -16.914 5.346 -11.726 1.00 81.77 105 A 1 ATOM 879 C CD . LYS A 1 105 ? -18.337 4.934 -12.077 1.00 74.91 105 A 1 ATOM 880 C CE . LYS A 1 105 ? -19.209 4.833 -10.837 1.00 64.80 105 A 1 ATOM 881 N NZ . LYS A 1 105 ? -20.587 4.376 -11.158 1.00 55.52 105 A 1 ATOM 882 N N . GLN A 1 106 ? -14.157 7.166 -10.771 1.00 90.83 106 A 1 ATOM 883 C CA . GLN A 1 106 ? -14.008 8.463 -10.120 1.00 90.93 106 A 1 ATOM 884 C C . GLN A 1 106 ? -12.569 8.971 -10.162 1.00 91.88 106 A 1 ATOM 885 O O . GLN A 1 106 ? -12.308 10.138 -9.866 1.00 90.29 106 A 1 ATOM 886 C CB . GLN A 1 106 ? -14.490 8.384 -8.669 1.00 88.90 106 A 1 ATOM 887 C CG . GLN A 1 106 ? -15.938 7.946 -8.510 1.00 81.19 106 A 1 ATOM 888 C CD . GLN A 1 106 ? -16.352 7.828 -7.056 1.00 74.64 106 A 1 ATOM 889 O OE1 . GLN A 1 106 ? -15.852 8.547 -6.192 1.00 66.64 106 A 1 ATOM 890 N NE2 . GLN A 1 106 ? -17.277 6.919 -6.775 1.00 64.06 106 A 1 ATOM 891 N N . ILE A 1 107 ? -11.624 8.108 -10.518 1.00 90.94 107 A 1 ATOM 892 C CA . ILE A 1 107 ? -10.226 8.508 -10.620 1.00 91.11 107 A 1 ATOM 893 C C . ILE A 1 107 ? -10.053 9.409 -11.842 1.00 91.41 107 A 1 ATOM 894 O O . ILE A 1 107 ? -10.464 9.054 -12.945 1.00 90.69 107 A 1 ATOM 895 C CB . ILE A 1 107 ? -9.295 7.286 -10.733 1.00 90.50 107 A 1 ATOM 896 C CG1 . ILE A 1 107 ? -9.488 6.361 -9.529 1.00 87.78 107 A 1 ATOM 897 C CG2 . ILE A 1 107 ? -7.841 7.734 -10.831 1.00 88.04 107 A 1 ATOM 898 C CD1 . ILE A 1 107 ? -8.657 5.097 -9.578 1.00 84.81 107 A 1 ATOM 899 N N . SER A 1 108 ? -9.427 10.573 -11.636 1.00 92.61 108 A 1 ATOM 900 C CA . SER A 1 108 ? -9.240 11.528 -12.719 1.00 92.34 108 A 1 ATOM 901 C C . SER A 1 108 ? -8.440 10.913 -13.862 1.00 93.03 108 A 1 ATOM 902 O O . SER A 1 108 ? -7.620 10.015 -13.658 1.00 92.55 108 A 1 ATOM 903 C CB . SER A 1 108 ? -8.536 12.791 -12.214 1.00 90.66 108 A 1 ATOM 904 O OG . SER A 1 108 ? -7.184 12.535 -11.900 1.00 86.69 108 A 1 ATOM 905 N N . GLN A 1 109 ? -8.686 11.406 -15.076 1.00 92.61 109 A 1 ATOM 906 C CA . GLN A 1 109 ? -7.978 10.904 -16.247 1.00 92.95 109 A 1 ATOM 907 C C . GLN A 1 109 ? -6.483 11.206 -16.158 1.00 93.78 109 A 1 ATOM 908 O O . GLN A 1 109 ? -5.658 10.422 -16.628 1.00 93.35 109 A 1 ATOM 909 C CB . GLN A 1 109 ? -8.571 11.502 -17.523 1.00 92.05 109 A 1 ATOM 910 C CG . GLN A 1 109 ? -9.999 11.055 -17.807 1.00 80.90 109 A 1 ATOM 911 C CD . GLN A 1 109 ? -10.532 11.594 -19.119 1.00 73.45 109 A 1 ATOM 912 O OE1 . GLN A 1 109 ? -10.011 12.566 -19.661 1.00 66.49 109 A 1 ATOM 913 N NE2 . GLN A 1 109 ? -11.582 10.968 -19.637 1.00 63.33 109 A 1 ATOM 914 N N . ASP A 1 110 ? -6.134 12.342 -15.550 1.00 93.51 110 A 1 ATOM 915 C CA . ASP A 1 110 ? -4.731 12.713 -15.394 1.00 93.50 110 A 1 ATOM 916 C C . ASP A 1 110 ? -3.993 11.723 -14.497 1.00 94.64 110 A 1 ATOM 917 O O . ASP A 1 110 ? -2.889 11.276 -14.821 1.00 94.24 110 A 1 ATOM 918 C CB . ASP A 1 110 ? -4.609 14.128 -14.818 1.00 91.82 110 A 1 ATOM 919 C CG . ASP A 1 110 ? -5.005 15.198 -15.823 1.00 78.11 110 A 1 ATOM 920 O OD1 . ASP A 1 110 ? -5.353 14.854 -16.966 1.00 70.97 110 A 1 ATOM 921 O OD2 . ASP A 1 110 ? -4.957 16.391 -15.461 1.00 69.49 110 A 1 ATOM 922 N N . ILE A 1 111 ? -4.596 11.369 -13.361 1.00 94.54 111 A 1 ATOM 923 C CA . ILE A 1 111 ? -3.988 10.409 -12.445 1.00 95.05 111 A 1 ATOM 924 C C . ILE A 1 111 ? -3.919 9.027 -13.089 1.00 95.36 111 A 1 ATOM 925 O O . ILE A 1 111 ? -2.907 8.331 -12.985 1.00 95.29 111 A 1 ATOM 926 C CB . ILE A 1 111 ? -4.759 10.351 -11.110 1.00 95.05 111 A 1 ATOM 927 C CG1 . ILE A 1 111 ? -4.549 11.653 -10.333 1.00 93.97 111 A 1 ATOM 928 C CG2 . ILE A 1 111 ? -4.319 9.151 -10.277 1.00 94.12 111 A 1 ATOM 929 C CD1 . ILE A 1 111 ? -5.270 11.718 -9.003 1.00 90.54 111 A 1 ATOM 930 N N . SER A 1 112 ? -4.990 8.632 -13.767 1.00 94.46 112 A 1 ATOM 931 C CA . SER A 1 112 ? -5.018 7.346 -14.455 1.00 93.81 112 A 1 ATOM 932 C C . SER A 1 112 ? -3.911 7.261 -15.502 1.00 94.38 112 A 1 ATOM 933 O O . SER A 1 112 ? -3.255 6.227 -15.646 1.00 94.20 112 A 1 ATOM 934 C CB . SER A 1 112 ? -6.380 7.120 -15.114 1.00 92.28 112 A 1 ATOM 935 O OG . SER A 1 112 ? -7.406 7.020 -14.142 1.00 79.05 112 A 1 ATOM 936 N N . GLN A 1 113 ? -3.705 8.357 -16.230 1.00 94.57 113 A 1 ATOM 937 C CA . GLN A 1 113 ? -2.672 8.398 -17.256 1.00 94.75 113 A 1 ATOM 938 C C . GLN A 1 113 ? -1.277 8.284 -16.645 1.00 95.18 113 A 1 ATOM 939 O O . GLN A 1 113 ? -0.398 7.614 -17.197 1.00 95.20 113 A 1 ATOM 940 C CB . GLN A 1 113 ? -2.783 9.685 -18.075 1.00 94.43 113 A 1 ATOM 941 C CG . GLN A 1 113 ? -1.780 9.791 -19.220 1.00 81.87 113 A 1 ATOM 942 C CD . GLN A 1 113 ? -1.988 11.032 -20.072 1.00 76.17 113 A 1 ATOM 943 O OE1 . GLN A 1 113 ? -3.027 11.683 -19.990 1.00 68.89 113 A 1 ATOM 944 N NE2 . GLN A 1 113 ? -1.007 11.357 -20.899 1.00 64.68 113 A 1 ATOM 945 N N . GLN A 1 114 ? -1.069 8.938 -15.502 1.00 95.40 114 A 1 ATOM 946 C CA . GLN A 1 114 ? 0.225 8.867 -14.824 1.00 95.48 114 A 1 ATOM 947 C C . GLN A 1 114 ? 0.502 7.455 -14.311 1.00 95.65 114 A 1 ATOM 948 O O . GLN A 1 114 ? 1.633 6.972 -14.371 1.00 95.18 114 A 1 ATOM 949 C CB . GLN A 1 114 ? 0.279 9.877 -13.673 1.00 95.35 114 A 1 ATOM 950 C CG . GLN A 1 114 ? 0.246 11.327 -14.132 1.00 91.22 114 A 1 ATOM 951 C CD . GLN A 1 114 ? 0.297 12.314 -12.982 1.00 86.78 114 A 1 ATOM 952 O OE1 . GLN A 1 114 ? 1.201 12.262 -12.152 1.00 76.51 114 A 1 ATOM 953 N NE2 . GLN A 1 114 ? -0.669 13.219 -12.928 1.00 74.07 114 A 1 ATOM 954 N N . LEU A 1 115 ? -0.530 6.787 -13.815 1.00 95.89 115 A 1 ATOM 955 C CA . LEU A 1 115 ? -0.383 5.409 -13.358 1.00 95.48 115 A 1 ATOM 956 C C . LEU A 1 115 ? -0.052 4.487 -14.531 1.00 95.30 115 A 1 ATOM 957 O O . LEU A 1 115 ? 0.793 3.598 -14.409 1.00 94.85 115 A 1 ATOM 958 C CB . LEU A 1 115 ? -1.658 4.938 -12.653 1.00 95.62 115 A 1 ATOM 959 C CG . LEU A 1 115 ? -1.963 5.600 -11.304 1.00 95.25 115 A 1 ATOM 960 C CD1 . LEU A 1 115 ? -3.353 5.213 -10.821 1.00 94.45 115 A 1 ATOM 961 C CD2 . LEU A 1 115 ? -0.918 5.207 -10.269 1.00 94.30 115 A 1 ATOM 962 N N . ARG A 1 116 ? -0.705 4.704 -15.667 1.00 94.69 116 A 1 ATOM 963 C CA . ARG A 1 116 ? -0.435 3.905 -16.865 1.00 93.96 116 A 1 ATOM 964 C C . ARG A 1 116 ? 0.975 4.163 -17.392 1.00 94.21 116 A 1 ATOM 965 O O . ARG A 1 116 ? 1.643 3.249 -17.872 1.00 93.61 116 A 1 ATOM 966 C CB . ARG A 1 116 ? -1.462 4.208 -17.959 1.00 92.67 116 A 1 ATOM 967 C CG . ARG A 1 116 ? -2.852 3.659 -17.700 1.00 80.64 116 A 1 ATOM 968 C CD . ARG A 1 116 ? -3.701 3.699 -18.966 1.00 78.35 116 A 1 ATOM 969 N NE . ARG A 1 116 ? -3.876 5.058 -19.481 1.00 68.34 116 A 1 ATOM 970 C CZ . ARG A 1 116 ? -4.870 5.870 -19.141 1.00 61.41 116 A 1 ATOM 971 N NH1 . ARG A 1 116 ? -5.793 5.472 -18.280 1.00 55.97 116 A 1 ATOM 972 N NH2 . ARG A 1 116 ? -4.942 7.090 -19.661 1.00 54.31 116 A 1 ATOM 973 N N . GLN A 1 117 ? 1.423 5.414 -17.293 1.00 94.91 117 A 1 ATOM 974 C CA . GLN A 1 117 ? 2.751 5.784 -17.760 1.00 94.84 117 A 1 ATOM 975 C C . GLN A 1 117 ? 3.839 5.031 -17.003 1.00 94.89 117 A 1 ATOM 976 O O . GLN A 1 117 ? 4.878 4.678 -17.573 1.00 93.92 117 A 1 ATOM 977 C CB . GLN A 1 117 ? 2.963 7.294 -17.617 1.00 94.06 117 A 1 ATOM 978 C CG . GLN A 1 117 ? 4.321 7.793 -18.108 1.00 83.28 117 A 1 ATOM 979 C CD . GLN A 1 117 ? 4.481 9.299 -17.955 1.00 80.05 117 A 1 ATOM 980 O OE1 . GLN A 1 117 ? 3.567 9.989 -17.509 1.00 73.60 117 A 1 ATOM 981 N NE2 . GLN A 1 117 ? 5.647 9.814 -18.326 1.00 70.39 117 A 1 ATOM 982 N N . HIS A 1 118 ? 3.596 4.772 -15.720 1.00 95.49 118 A 1 ATOM 983 C CA . HIS A 1 118 ? 4.561 4.075 -14.880 1.00 95.29 118 A 1 ATOM 984 C C . HIS A 1 118 ? 4.178 2.617 -14.628 1.00 95.58 118 A 1 ATOM 985 O O . HIS A 1 118 ? 4.640 2.001 -13.665 1.00 94.17 118 A 1 ATOM 986 C CB . HIS A 1 118 ? 4.723 4.817 -13.549 1.00 94.60 118 A 1 ATOM 987 C CG . HIS A 1 118 ? 5.341 6.177 -13.688 1.00 93.10 118 A 1 ATOM 988 N ND1 . HIS A 1 118 ? 6.693 6.367 -13.860 1.00 81.98 118 A 1 ATOM 989 C CD2 . HIS A 1 118 ? 4.790 7.409 -13.690 1.00 82.13 118 A 1 ATOM 990 C CE1 . HIS A 1 118 ? 6.949 7.661 -13.957 1.00 83.69 118 A 1 ATOM 991 N NE2 . HIS A 1 118 ? 5.814 8.319 -13.857 1.00 85.89 118 A 1 ATOM 992 N N . GLN A 1 119 ? 3.347 2.061 -15.493 1.00 94.09 119 A 1 ATOM 993 C CA . GLN A 1 119 ? 2.874 0.683 -15.352 1.00 93.17 119 A 1 ATOM 994 C C . GLN A 1 119 ? 4.000 -0.333 -15.121 1.00 94.08 119 A 1 ATOM 995 O O . GLN A 1 119 ? 3.874 -1.200 -14.251 1.00 93.23 119 A 1 ATOM 996 C CB . GLN A 1 119 ? 2.046 0.276 -16.576 1.00 90.47 119 A 1 ATOM 997 C CG . GLN A 1 119 ? 1.455 -1.129 -16.497 1.00 77.26 119 A 1 ATOM 998 C CD . GLN A 1 119 ? 0.446 -1.275 -15.377 1.00 71.36 119 A 1 ATOM 999 O OE1 . GLN A 1 119 ? -0.214 -0.312 -14.991 1.00 64.08 119 A 1 ATOM 1000 N NE2 . GLN A 1 119 ? 0.317 -2.482 -14.856 1.00 60.70 119 A 1 ATOM 1001 N N . PRO A 1 120 ? 5.114 -0.248 -15.861 1.00 94.51 120 A 1 ATOM 1002 C CA . PRO A 1 120 ? 6.210 -1.210 -15.648 1.00 94.78 120 A 1 ATOM 1003 C C . PRO A 1 120 ? 6.851 -1.108 -14.268 1.00 95.34 120 A 1 ATOM 1004 O O . PRO A 1 120 ? 7.488 -2.062 -13.812 1.00 93.40 120 A 1 ATOM 1005 C CB . PRO A 1 120 ? 7.221 -0.845 -16.743 1.00 93.26 120 A 1 ATOM 1006 C CG . PRO A 1 120 ? 6.411 -0.144 -17.784 1.00 90.11 120 A 1 ATOM 1007 C CD . PRO A 1 120 ? 5.391 0.634 -17.004 1.00 93.10 120 A 1 ATOM 1008 N N . SER A 1 121 ? 6.687 0.040 -13.597 1.00 96.76 121 A 1 ATOM 1009 C CA . SER A 1 121 ? 7.330 0.282 -12.308 1.00 97.09 121 A 1 ATOM 1010 C C . SER A 1 121 ? 6.395 0.133 -11.112 1.00 97.45 121 A 1 ATOM 1011 O O . SER A 1 121 ? 6.806 0.354 -9.971 1.00 96.60 121 A 1 ATOM 1012 C CB . SER A 1 121 ? 7.957 1.678 -12.282 1.00 96.12 121 A 1 ATOM 1013 O OG . SER A 1 121 ? 8.906 1.840 -13.318 1.00 89.09 121 A 1 ATOM 1014 N N . ILE A 1 122 ? 5.142 -0.239 -11.360 1.00 97.83 122 A 1 ATOM 1015 C CA . ILE A 1 122 ? 4.173 -0.396 -10.279 1.00 97.85 122 A 1 ATOM 1016 C C . ILE A 1 122 ? 3.346 -1.662 -10.465 1.00 97.69 122 A 1 ATOM 1017 O O . ILE A 1 122 ? 3.407 -2.315 -11.507 1.00 97.06 122 A 1 ATOM 1018 C CB . ILE A 1 122 ? 3.213 0.815 -10.196 1.00 97.63 122 A 1 ATOM 1019 C CG1 . ILE A 1 122 ? 2.337 0.889 -11.449 1.00 96.60 122 A 1 ATOM 1020 C CG2 . ILE A 1 122 ? 3.991 2.109 -10.011 1.00 95.67 122 A 1 ATOM 1021 C CD1 . ILE A 1 122 ? 1.320 2.015 -11.439 1.00 95.49 122 A 1 ATOM 1022 N N . THR A 1 123 ? 2.584 -2.014 -9.436 1.00 97.61 123 A 1 ATOM 1023 C CA . THR A 1 123 ? 1.662 -3.141 -9.506 1.00 97.58 123 A 1 ATOM 1024 C C . THR A 1 123 ? 0.269 -2.645 -9.139 1.00 97.74 123 A 1 ATOM 1025 O O . THR A 1 123 ? 0.066 -2.122 -8.048 1.00 97.42 123 A 1 ATOM 1026 C CB . THR A 1 123 ? 2.072 -4.272 -8.546 1.00 97.16 123 A 1 ATOM 1027 O OG1 . THR A 1 123 ? 3.352 -4.784 -8.918 1.00 94.78 123 A 1 ATOM 1028 C CG2 . THR A 1 123 ? 1.052 -5.405 -8.589 1.00 95.04 123 A 1 ATOM 1029 N N . MET A 1 124 ? -0.684 -2.795 -10.059 1.00 96.76 124 A 1 ATOM 1030 C CA . MET A 1 124 ? -2.061 -2.368 -9.828 1.00 96.43 124 A 1 ATOM 1031 C C . MET A 1 124 ? -2.954 -3.587 -9.627 1.00 96.73 124 A 1 ATOM 1032 O O . MET A 1 124 ? -2.973 -4.496 -10.455 1.00 96.14 124 A 1 ATOM 1033 C CB . MET A 1 124 ? -2.580 -1.538 -11.005 1.00 95.08 124 A 1 ATOM 1034 C CG . MET A 1 124 ? -1.824 -0.235 -11.242 1.00 86.26 124 A 1 ATOM 1035 S SD . MET A 1 124 ? -2.116 0.995 -9.952 1.00 79.73 124 A 1 ATOM 1036 C CE . MET A 1 124 ? -3.862 1.349 -10.182 1.00 68.70 124 A 1 ATOM 1037 N N . ILE A 1 125 ? -3.682 -3.610 -8.506 1.00 97.29 125 A 1 ATOM 1038 C CA . ILE A 1 125 ? -4.604 -4.708 -8.227 1.00 97.52 125 A 1 ATOM 1039 C C . ILE A 1 125 ? -5.967 -4.126 -7.870 1.00 97.47 125 A 1 ATOM 1040 O O . ILE A 1 125 ? -6.064 -3.222 -7.045 1.00 97.29 125 A 1 ATOM 1041 C CB . ILE A 1 125 ? -4.106 -5.604 -7.073 1.00 97.66 125 A 1 ATOM 1042 C CG1 . ILE A 1 125 ? -2.640 -5.991 -7.281 1.00 95.70 125 A 1 ATOM 1043 C CG2 . ILE A 1 125 ? -4.967 -6.862 -6.984 1.00 94.35 125 A 1 ATOM 1044 C CD1 . ILE A 1 125 ? -2.061 -6.850 -6.171 1.00 95.00 125 A 1 ATOM 1045 N N . THR A 1 126 ? -7.018 -4.643 -8.495 1.00 97.24 126 A 1 ATOM 1046 C CA . THR A 1 126 ? -8.365 -4.124 -8.289 1.00 97.36 126 A 1 ATOM 1047 C C . THR A 1 126 ? -9.177 -4.992 -7.336 1.00 97.83 126 A 1 ATOM 1048 O O . THR A 1 126 ? -9.262 -6.209 -7.513 1.00 97.80 126 A 1 ATOM 1049 C CB . THR A 1 126 ? -9.119 -4.006 -9.625 1.00 96.43 126 A 1 ATOM 1050 O OG1 . THR A 1 126 ? -8.383 -3.168 -10.518 1.00 92.09 126 A 1 ATOM 1051 C CG2 . THR A 1 126 ? -10.506 -3.407 -9.410 1.00 92.13 126 A 1 ATOM 1052 N N . TRP A 1 127 ? -9.757 -4.358 -6.316 1.00 97.82 127 A 1 ATOM 1053 C CA . TRP A 1 127 ? -10.659 -5.029 -5.390 1.00 98.00 127 A 1 ATOM 1054 C C . TRP A 1 127 ? -12.085 -4.830 -5.884 1.00 97.81 127 A 1 ATOM 1055 O O . TRP A 1 127 ? -12.577 -3.702 -5.938 1.00 97.33 127 A 1 ATOM 1056 C CB . TRP A 1 127 ? -10.514 -4.469 -3.974 1.00 98.07 127 A 1 ATOM 1057 C CG . TRP A 1 127 ? -11.526 -5.021 -3.011 1.00 98.19 127 A 1 ATOM 1058 C CD1 . TRP A 1 127 ? -12.740 -4.479 -2.691 1.00 97.68 127 A 1 ATOM 1059 C CD2 . TRP A 1 127 ? -11.429 -6.246 -2.269 1.00 98.07 127 A 1 ATOM 1060 N NE1 . TRP A 1 127 ? -13.402 -5.288 -1.791 1.00 97.42 127 A 1 ATOM 1061 C CE2 . TRP A 1 127 ? -12.618 -6.380 -1.512 1.00 97.79 127 A 1 ATOM 1062 C CE3 . TRP A 1 127 ? -10.450 -7.241 -2.163 1.00 97.67 127 A 1 ATOM 1063 C CZ2 . TRP A 1 127 ? -12.853 -7.468 -0.668 1.00 97.37 127 A 1 ATOM 1064 C CZ3 . TRP A 1 127 ? -10.688 -8.323 -1.322 1.00 97.17 127 A 1 ATOM 1065 C CH2 . TRP A 1 127 ? -11.880 -8.427 -0.586 1.00 97.13 127 A 1 ATOM 1066 N N . GLY A 1 128 ? -12.743 -5.918 -6.251 1.00 97.00 128 A 1 ATOM 1067 C CA . GLY A 1 128 ? -14.088 -5.853 -6.791 1.00 96.56 128 A 1 ATOM 1068 C C . GLY A 1 128 ? -15.108 -6.640 -5.997 1.00 97.12 128 A 1 ATOM 1069 O O . GLY A 1 128 ? -14.824 -7.122 -4.899 1.00 96.16 128 A 1 ATOM 1070 N N . ALA A 1 129 ? -16.302 -6.776 -6.566 1.00 94.35 129 A 1 ATOM 1071 C CA . ALA A 1 129 ? -17.415 -7.434 -5.891 1.00 93.32 129 A 1 ATOM 1072 C C . ALA A 1 129 ? -17.161 -8.915 -5.619 1.00 93.27 129 A 1 ATOM 1073 O O . ALA A 1 129 ? -17.733 -9.483 -4.692 1.00 89.57 129 A 1 ATOM 1074 C CB . ALA A 1 129 ? -18.690 -7.267 -6.712 1.00 90.71 129 A 1 ATOM 1075 N N . HIS A 1 130 ? -16.302 -9.533 -6.414 1.00 94.20 130 A 1 ATOM 1076 C CA . HIS A 1 130 ? -16.039 -10.965 -6.277 1.00 94.77 130 A 1 ATOM 1077 C C . HIS A 1 130 ? -14.648 -11.272 -5.718 1.00 96.05 130 A 1 ATOM 1078 O O . HIS A 1 130 ? -14.159 -12.397 -5.831 1.00 94.46 130 A 1 ATOM 1079 C CB . HIS A 1 130 ? -16.215 -11.660 -7.631 1.00 92.17 130 A 1 ATOM 1080 C CG . HIS A 1 130 ? -17.558 -11.432 -8.258 1.00 86.47 130 A 1 ATOM 1081 N ND1 . HIS A 1 130 ? -18.721 -11.936 -7.729 1.00 73.78 130 A 1 ATOM 1082 C CD2 . HIS A 1 130 ? -17.916 -10.746 -9.364 1.00 73.26 130 A 1 ATOM 1083 C CE1 . HIS A 1 130 ? -19.744 -11.574 -8.481 1.00 72.26 130 A 1 ATOM 1084 N NE2 . HIS A 1 130 ? -19.284 -10.852 -9.484 1.00 73.20 130 A 1 ATOM 1085 N N . SER A 1 131 ? -14.013 -10.264 -5.108 1.00 97.00 131 A 1 ATOM 1086 C CA . SER A 1 131 ? -12.646 -10.419 -4.616 1.00 97.53 131 A 1 ATOM 1087 C C . SER A 1 131 ? -12.550 -11.035 -3.221 1.00 97.45 131 A 1 ATOM 1088 O O . SER A 1 131 ? -11.467 -11.427 -2.794 1.00 96.65 131 A 1 ATOM 1089 C CB . SER A 1 131 ? -11.925 -9.069 -4.623 1.00 97.41 131 A 1 ATOM 1090 O OG . SER A 1 131 ? -11.850 -8.535 -5.933 1.00 96.62 131 A 1 ATOM 1091 N N . MET A 1 132 ? -13.681 -11.132 -2.522 1.00 96.68 132 A 1 ATOM 1092 C CA . MET A 1 132 ? -13.663 -11.603 -1.134 1.00 95.67 132 A 1 ATOM 1093 C C . MET A 1 132 ? -13.166 -13.044 -0.980 1.00 95.47 132 A 1 ATOM 1094 O O . MET A 1 132 ? -12.437 -13.357 -0.038 1.00 94.05 132 A 1 ATOM 1095 C CB . MET A 1 132 ? -15.054 -11.476 -0.507 1.00 93.68 132 A 1 ATOM 1096 C CG . MET A 1 132 ? -15.107 -11.851 0.968 1.00 84.09 132 A 1 ATOM 1097 S SD . MET A 1 132 ? -14.200 -10.690 2.023 1.00 78.82 132 A 1 ATOM 1098 C CE . MET A 1 132 ? -15.304 -9.269 1.992 1.00 69.26 132 A 1 ATOM 1099 N N . THR A 1 133 ? -13.545 -13.923 -1.895 1.00 95.72 133 A 1 ATOM 1100 C CA . THR A 1 133 ? -13.152 -15.327 -1.792 1.00 95.97 133 A 1 ATOM 1101 C C . THR A 1 133 ? -11.631 -15.475 -1.876 1.00 96.33 133 A 1 ATOM 1102 O O . THR A 1 133 ? -10.977 -14.770 -2.649 1.00 95.61 133 A 1 ATOM 1103 C CB . THR A 1 133 ? -13.799 -16.178 -2.899 1.00 94.43 133 A 1 ATOM 1104 O OG1 . THR A 1 133 ? -13.343 -15.739 -4.184 1.00 83.92 133 A 1 ATOM 1105 C CG2 . THR A 1 133 ? -15.316 -16.062 -2.839 1.00 82.48 133 A 1 ATOM 1106 N N . PRO A 1 134 ? -11.054 -16.386 -1.084 1.00 94.39 134 A 1 ATOM 1107 C CA . PRO A 1 134 ? -9.597 -16.581 -1.072 1.00 93.42 134 A 1 ATOM 1108 C C . PRO A 1 134 ? -9.010 -16.945 -2.430 1.00 93.91 134 A 1 ATOM 1109 O O . PRO A 1 134 ? -7.827 -16.697 -2.678 1.00 92.38 134 A 1 ATOM 1110 C CB . PRO A 1 134 ? -9.409 -17.727 -0.069 1.00 91.45 134 A 1 ATOM 1111 C CG . PRO A 1 134 ? -10.585 -17.613 0.839 1.00 89.17 134 A 1 ATOM 1112 C CD . PRO A 1 134 ? -11.723 -17.205 -0.062 1.00 92.46 134 A 1 ATOM 1113 N N . SER A 1 135 ? -9.819 -17.532 -3.304 1.00 94.87 135 A 1 ATOM 1114 C CA . SER A 1 135 ? -9.358 -17.954 -4.624 1.00 95.28 135 A 1 ATOM 1115 C C . SER A 1 135 ? -9.559 -16.886 -5.698 1.00 95.94 135 A 1 ATOM 1116 O O . SER A 1 135 ? -9.317 -17.142 -6.879 1.00 94.78 135 A 1 ATOM 1117 C CB . SER A 1 135 ? -10.074 -19.240 -5.045 1.00 94.06 135 A 1 ATOM 1118 O OG . SER A 1 135 ? -11.470 -19.034 -5.121 1.00 89.42 135 A 1 ATOM 1119 N N . SER A 1 136 ? -9.988 -15.691 -5.299 1.00 96.90 136 A 1 ATOM 1120 C CA . SER A 1 136 ? -10.230 -14.615 -6.253 1.00 97.30 136 A 1 ATOM 1121 C C . SER A 1 136 ? -8.935 -14.126 -6.897 1.00 97.61 136 A 1 ATOM 1122 O O . SER A 1 136 ? -7.840 -14.349 -6.373 1.00 97.44 136 A 1 ATOM 1123 C CB . SER A 1 136 ? -10.930 -13.435 -5.572 1.00 97.00 136 A 1 ATOM 1124 O OG . SER A 1 136 ? -10.055 -12.765 -4.685 1.00 96.18 136 A 1 ATOM 1125 N N . GLY A 1 137 ? -9.074 -13.453 -8.039 1.00 97.31 137 A 1 ATOM 1126 C CA . GLY A 1 137 ? -7.914 -12.917 -8.736 1.00 97.10 137 A 1 ATOM 1127 C C . GLY A 1 137 ? -7.150 -11.913 -7.895 1.00 97.50 137 A 1 ATOM 1128 O O . GLY A 1 137 ? -5.924 -11.839 -7.973 1.00 96.98 137 A 1 ATOM 1129 N N . PHE A 1 138 ? -7.875 -11.154 -7.071 1.00 97.77 138 A 1 ATOM 1130 C CA . PHE A 1 138 ? -7.249 -10.162 -6.198 1.00 98.03 138 A 1 ATOM 1131 C C . PHE A 1 138 ? -6.205 -10.796 -5.281 1.00 97.97 138 A 1 ATOM 1132 O O . PHE A 1 138 ? -5.052 -10.361 -5.238 1.00 97.84 138 A 1 ATOM 1133 C CB . PHE A 1 138 ? -8.301 -9.440 -5.353 1.00 98.08 138 A 1 ATOM 1134 C CG . PHE A 1 138 ? -7.710 -8.503 -4.328 1.00 98.34 138 A 1 ATOM 1135 C CD1 . PHE A 1 138 ? -7.404 -7.192 -4.661 1.00 98.19 138 A 1 ATOM 1136 C CD2 . PHE A 1 138 ? -7.445 -8.940 -3.036 1.00 98.14 138 A 1 ATOM 1137 C CE1 . PHE A 1 138 ? -6.845 -6.332 -3.725 1.00 97.97 138 A 1 ATOM 1138 C CE2 . PHE A 1 138 ? -6.885 -8.085 -2.094 1.00 97.89 138 A 1 ATOM 1139 C CZ . PHE A 1 138 ? -6.584 -6.778 -2.441 1.00 98.08 138 A 1 ATOM 1140 N N . TRP A 1 139 ? -6.609 -11.833 -4.552 1.00 97.82 139 A 1 ATOM 1141 C CA . TRP A 1 139 ? -5.704 -12.475 -3.606 1.00 97.57 139 A 1 ATOM 1142 C C . TRP A 1 139 ? -4.568 -13.212 -4.311 1.00 97.13 139 A 1 ATOM 1143 O O . TRP A 1 139 ? -3.439 -13.234 -3.818 1.00 96.58 139 A 1 ATOM 1144 C CB . TRP A 1 139 ? -6.476 -13.424 -2.690 1.00 97.40 139 A 1 ATOM 1145 C CG . TRP A 1 139 ? -7.466 -12.724 -1.802 1.00 97.70 139 A 1 ATOM 1146 C CD1 . TRP A 1 139 ? -8.824 -12.838 -1.828 1.00 97.12 139 A 1 ATOM 1147 C CD2 . TRP A 1 139 ? -7.168 -11.779 -0.760 1.00 97.85 139 A 1 ATOM 1148 N NE1 . TRP A 1 139 ? -9.392 -12.032 -0.872 1.00 97.08 139 A 1 ATOM 1149 C CE2 . TRP A 1 139 ? -8.401 -11.369 -0.200 1.00 97.53 139 A 1 ATOM 1150 C CE3 . TRP A 1 139 ? -5.985 -11.240 -0.241 1.00 97.60 139 A 1 ATOM 1151 C CZ2 . TRP A 1 139 ? -8.477 -10.445 0.846 1.00 97.21 139 A 1 ATOM 1152 C CZ3 . TRP A 1 139 ? -6.069 -10.317 0.801 1.00 97.29 139 A 1 ATOM 1153 C CH2 . TRP A 1 139 ? -7.306 -9.932 1.332 1.00 97.26 139 A 1 ATOM 1154 N N . LYS A 1 140 ? -4.850 -13.805 -5.460 1.00 97.25 140 A 1 ATOM 1155 C CA . LYS A 1 140 ? -3.824 -14.496 -6.230 1.00 96.78 140 A 1 ATOM 1156 C C . LYS A 1 140 ? -2.768 -13.513 -6.734 1.00 96.50 140 A 1 ATOM 1157 O O . LYS A 1 140 ? -1.569 -13.780 -6.649 1.00 95.97 140 A 1 ATOM 1158 C CB . LYS A 1 140 ? -4.450 -15.244 -7.407 1.00 96.34 140 A 1 ATOM 1159 C CG . LYS A 1 140 ? -5.278 -16.457 -6.998 1.00 90.94 140 A 1 ATOM 1160 C CD . LYS A 1 140 ? -5.856 -17.171 -8.207 1.00 86.64 140 A 1 ATOM 1161 C CE . LYS A 1 140 ? -6.642 -18.406 -7.801 1.00 78.27 140 A 1 ATOM 1162 N NZ . LYS A 1 140 ? -7.246 -19.101 -8.970 1.00 70.13 140 A 1 ATOM 1163 N N . GLU A 1 141 ? -3.220 -12.376 -7.256 1.00 97.33 141 A 1 ATOM 1164 C CA . GLU A 1 141 ? -2.304 -11.353 -7.751 1.00 97.13 141 A 1 ATOM 1165 C C . GLU A 1 141 ? -1.472 -10.761 -6.616 1.00 97.05 141 A 1 ATOM 1166 O O . GLU A 1 141 ? -0.268 -10.544 -6.763 1.00 96.60 141 A 1 ATOM 1167 C CB . GLU A 1 141 ? -3.080 -10.237 -8.459 1.00 96.83 141 A 1 ATOM 1168 C CG . GLU A 1 141 ? -3.682 -10.641 -9.792 1.00 88.99 141 A 1 ATOM 1169 C CD . GLU A 1 141 ? -4.489 -9.514 -10.420 1.00 84.02 141 A 1 ATOM 1170 O OE1 . GLU A 1 141 ? -5.688 -9.406 -10.116 1.00 78.43 141 A 1 ATOM 1171 O OE2 . GLU A 1 141 ? -3.912 -8.735 -11.204 1.00 78.63 141 A 1 ATOM 1172 N N . LEU A 1 142 ? -2.115 -10.514 -5.481 1.00 97.47 142 A 1 ATOM 1173 C CA . LEU A 1 142 ? -1.422 -9.945 -4.329 1.00 97.56 142 A 1 ATOM 1174 C C . LEU A 1 142 ? -0.383 -10.920 -3.781 1.00 97.19 142 A 1 ATOM 1175 O O . LEU A 1 142 ? 0.731 -10.524 -3.433 1.00 96.82 142 A 1 ATOM 1176 C CB . LEU A 1 142 ? -2.429 -9.565 -3.239 1.00 97.76 142 A 1 ATOM 1177 C CG . LEU A 1 142 ? -1.864 -8.870 -1.994 1.00 97.57 142 A 1 ATOM 1178 C CD1 . LEU A 1 142 ? -1.082 -7.623 -2.373 1.00 97.26 142 A 1 ATOM 1179 C CD2 . LEU A 1 142 ? -3.005 -8.514 -1.047 1.00 97.20 142 A 1 ATOM 1180 N N . ALA A 1 143 ? -0.740 -12.190 -3.713 1.00 96.76 143 A 1 ATOM 1181 C CA . ALA A 1 143 ? 0.179 -13.207 -3.211 1.00 96.03 143 A 1 ATOM 1182 C C . ALA A 1 143 ? 1.426 -13.327 -4.088 1.00 95.72 143 A 1 ATOM 1183 O O . ALA A 1 143 ? 2.521 -13.586 -3.586 1.00 94.76 143 A 1 ATOM 1184 C CB . ALA A 1 143 ? -0.527 -14.556 -3.118 1.00 95.14 143 A 1 ATOM 1185 N N . LEU A 1 144 ? 1.259 -13.130 -5.386 1.00 95.88 144 A 1 ATOM 1186 C CA . LEU A 1 144 ? 2.373 -13.240 -6.325 1.00 95.48 144 A 1 ATOM 1187 C C . LEU A 1 144 ? 3.428 -12.157 -6.125 1.00 95.29 144 A 1 ATOM 1188 O O . LEU A 1 144 ? 4.617 -12.391 -6.355 1.00 93.98 144 A 1 ATOM 1189 C CB . LEU A 1 144 ? 1.862 -13.194 -7.769 1.00 94.72 144 A 1 ATOM 1190 C CG . LEU A 1 144 ? 1.163 -14.445 -8.298 1.00 86.22 144 A 1 ATOM 1191 C CD1 . LEU A 1 144 ? 0.586 -14.188 -9.682 1.00 83.36 144 A 1 ATOM 1192 C CD2 . LEU A 1 144 ? 2.144 -15.610 -8.342 1.00 82.47 144 A 1 ATOM 1193 N N . VAL A 1 145 ? 2.998 -10.957 -5.696 1.00 96.51 145 A 1 ATOM 1194 C CA . VAL A 1 145 ? 3.925 -9.838 -5.538 1.00 96.50 145 A 1 ATOM 1195 C C . VAL A 1 145 ? 4.410 -9.657 -4.104 1.00 96.42 145 A 1 ATOM 1196 O O . VAL A 1 145 ? 5.330 -8.877 -3.853 1.00 95.59 145 A 1 ATOM 1197 C CB . VAL A 1 145 ? 3.298 -8.517 -6.041 1.00 96.27 145 A 1 ATOM 1198 C CG1 . VAL A 1 145 ? 3.024 -8.611 -7.538 1.00 93.29 145 A 1 ATOM 1199 C CG2 . VAL A 1 145 ? 2.025 -8.203 -5.279 1.00 93.54 145 A 1 ATOM 1200 N N . MET A 1 146 ? 3.804 -10.372 -3.160 1.00 95.98 146 A 1 ATOM 1201 C CA . MET A 1 146 ? 4.241 -10.317 -1.771 1.00 95.84 146 A 1 ATOM 1202 C C . MET A 1 146 ? 5.463 -11.216 -1.575 1.00 95.03 146 A 1 ATOM 1203 O O . MET A 1 146 ? 5.631 -12.203 -2.291 1.00 93.82 146 A 1 ATOM 1204 C CB . MET A 1 146 ? 3.111 -10.743 -0.830 1.00 95.80 146 A 1 ATOM 1205 C CG . MET A 1 146 ? 1.998 -9.707 -0.697 1.00 94.56 146 A 1 ATOM 1206 S SD . MET A 1 146 ? 2.538 -8.197 0.140 1.00 94.65 146 A 1 ATOM 1207 C CE . MET A 1 146 ? 2.759 -8.788 1.821 1.00 91.00 146 A 1 ATOM 1208 N N . PRO A 1 147 ? 6.327 -10.886 -0.618 1.00 94.67 147 A 1 ATOM 1209 C CA . PRO A 1 147 ? 7.515 -11.710 -0.373 1.00 93.01 147 A 1 ATOM 1210 C C . PRO A 1 147 ? 7.150 -13.099 0.135 1.00 91.37 147 A 1 ATOM 1211 O O . PRO A 1 147 ? 6.081 -13.298 0.711 1.00 86.51 147 A 1 ATOM 1212 C CB . PRO A 1 147 ? 8.285 -10.915 0.686 1.00 91.06 147 A 1 ATOM 1213 C CG . PRO A 1 147 ? 7.233 -10.135 1.395 1.00 90.50 147 A 1 ATOM 1214 C CD . PRO A 1 147 ? 6.263 -9.744 0.316 1.00 93.72 147 A 1 ATOM 1215 N N . ARG A 1 148 ? 8.040 -14.057 -0.101 1.00 87.66 148 A 1 ATOM 1216 C CA . ARG A 1 148 ? 7.823 -15.421 0.361 1.00 84.59 148 A 1 ATOM 1217 C C . ARG A 1 148 ? 7.848 -15.476 1.886 1.00 81.63 148 A 1 ATOM 1218 O O . ARG A 1 148 ? 8.432 -14.611 2.540 1.00 71.45 148 A 1 ATOM 1219 C CB . ARG A 1 148 ? 8.889 -16.349 -0.221 1.00 78.31 148 A 1 ATOM 1220 C CG . ARG A 1 148 ? 8.930 -16.356 -1.738 1.00 66.65 148 A 1 ATOM 1221 C CD . ARG A 1 148 ? 10.049 -17.247 -2.256 1.00 62.18 148 A 1 ATOM 1222 N NE . ARG A 1 148 ? 11.346 -16.831 -1.745 1.00 54.14 148 A 1 ATOM 1223 C CZ . ARG A 1 148 ? 12.508 -17.298 -2.187 1.00 47.59 148 A 1 ATOM 1224 N NH1 . ARG A 1 148 ? 12.538 -18.190 -3.160 1.00 44.64 148 A 1 ATOM 1225 N NH2 . ARG A 1 148 ? 13.645 -16.872 -1.656 1.00 41.43 148 A 1 ATOM 1226 N N . LYS A 1 149 ? 7.228 -16.497 2.454 1.00 76.21 149 A 1 ATOM 1227 C CA . LYS A 1 149 ? 7.162 -16.648 3.901 1.00 72.68 149 A 1 ATOM 1228 C C . LYS A 1 149 ? 8.552 -16.781 4.512 1.00 69.76 149 A 1 ATOM 1229 O O . LYS A 1 149 ? 8.841 -16.202 5.559 1.00 61.18 149 A 1 ATOM 1230 C CB . LYS A 1 149 ? 6.311 -17.864 4.278 1.00 65.92 149 A 1 ATOM 1231 C CG . LYS A 1 149 ? 6.187 -18.089 5.774 1.00 60.11 149 A 1 ATOM 1232 C CD . LYS A 1 149 ? 5.338 -19.302 6.090 1.00 56.25 149 A 1 ATOM 1233 C CE . LYS A 1 149 ? 5.244 -19.536 7.589 1.00 51.03 149 A 1 ATOM 1234 N NZ . LYS A 1 149 ? 4.419 -20.724 7.923 1.00 47.07 149 A 1 ATOM 1235 N N . HIS A 1 150 ? 9.422 -17.548 3.849 1.00 57.63 150 A 1 ATOM 1236 C CA . HIS A 1 150 ? 10.779 -17.750 4.337 1.00 54.58 150 A 1 ATOM 1237 C C . HIS A 1 150 ? 11.722 -16.666 3.827 1.00 53.06 150 A 1 ATOM 1238 O O . HIS A 1 150 ? 11.413 -15.948 2.877 1.00 48.28 150 A 1 ATOM 1239 C CB . HIS A 1 150 ? 11.285 -19.132 3.927 1.00 49.47 150 A 1 ATOM 1240 C CG . HIS A 1 150 ? 10.502 -20.257 4.531 1.00 45.85 150 A 1 ATOM 1241 N ND1 . HIS A 1 150 ? 10.537 -20.553 5.872 1.00 42.22 150 A 1 ATOM 1242 C CD2 . HIS A 1 150 ? 9.656 -21.144 3.974 1.00 41.15 150 A 1 ATOM 1243 C CE1 . HIS A 1 150 ? 9.744 -21.579 6.115 1.00 39.52 150 A 1 ATOM 1244 N NE2 . HIS A 1 150 ? 9.195 -21.961 4.981 1.00 39.49 150 A 1 ATOM 1245 N N . HIS A 1 151 ? 12.887 -16.557 4.474 1.00 48.44 151 A 1 ATOM 1246 C CA . HIS A 1 151 ? 13.851 -15.515 4.146 1.00 47.93 151 A 1 ATOM 1247 C C . HIS A 1 151 ? 14.226 -15.533 2.669 1.00 47.02 151 A 1 ATOM 1248 O O . HIS A 1 151 ? 14.507 -16.586 2.097 1.00 44.09 151 A 1 ATOM 1249 C CB . HIS A 1 151 ? 15.106 -15.653 5.011 1.00 44.92 151 A 1 ATOM 1250 C CG . HIS A 1 151 ? 16.055 -14.496 4.891 1.00 42.08 151 A 1 ATOM 1251 N ND1 . HIS A 1 151 ? 17.002 -14.412 3.905 1.00 39.36 151 A 1 ATOM 1252 C CD2 . HIS A 1 151 ? 16.196 -13.379 5.635 1.00 38.32 151 A 1 ATOM 1253 C CE1 . HIS A 1 151 ? 17.687 -13.287 4.036 1.00 37.31 151 A 1 ATOM 1254 N NE2 . HIS A 1 151 ? 17.219 -12.641 5.085 1.00 36.97 151 A 1 ATOM 1255 N N . HIS A 1 152 ? 14.234 -14.351 2.064 1.00 45.71 152 A 1 ATOM 1256 C CA . HIS A 1 152 ? 14.550 -14.211 0.648 1.00 45.99 152 A 1 ATOM 1257 C C . HIS A 1 152 ? 16.059 -14.222 0.429 1.00 44.93 152 A 1 ATOM 1258 O O . HIS A 1 152 ? 16.792 -13.468 1.065 1.00 42.65 152 A 1 ATOM 1259 C CB . HIS A 1 152 ? 13.946 -12.913 0.105 1.00 44.17 152 A 1 ATOM 1260 C CG . HIS A 1 152 ? 14.078 -12.750 -1.377 1.00 41.81 152 A 1 ATOM 1261 N ND1 . HIS A 1 152 ? 12.990 -12.764 -2.222 1.00 39.24 152 A 1 ATOM 1262 C CD2 . HIS A 1 152 ? 15.157 -12.569 -2.163 1.00 38.24 152 A 1 ATOM 1263 C CE1 . HIS A 1 152 ? 13.400 -12.601 -3.462 1.00 37.21 152 A 1 ATOM 1264 N NE2 . HIS A 1 152 ? 14.718 -12.482 -3.457 1.00 36.72 152 A 1 ATOM 1265 N N . HIS A 1 153 ? 16.525 -15.088 -0.478 1.00 45.24 153 A 1 ATOM 1266 C CA . HIS A 1 153 ? 17.939 -15.143 -0.823 1.00 46.09 153 A 1 ATOM 1267 C C . HIS A 1 153 ? 18.109 -15.063 -2.334 1.00 44.86 153 A 1 ATOM 1268 O O . HIS A 1 153 ? 17.470 -15.805 -3.077 1.00 41.82 153 A 1 ATOM 1269 C CB . HIS A 1 153 ? 18.584 -16.424 -0.284 1.00 44.02 153 A 1 ATOM 1270 C CG . HIS A 1 153 ? 20.078 -16.441 -0.432 1.00 40.46 153 A 1 ATOM 1271 N ND1 . HIS A 1 153 ? 20.705 -16.839 -1.583 1.00 37.53 153 A 1 ATOM 1272 C CD2 . HIS A 1 153 ? 21.059 -16.097 0.426 1.00 36.75 153 A 1 ATOM 1273 C CE1 . HIS A 1 153 ? 22.014 -16.740 -1.437 1.00 35.89 153 A 1 ATOM 1274 N NE2 . HIS A 1 153 ? 22.261 -16.290 -0.219 1.00 36.05 153 A 1 ATOM 1275 N N . HIS A 1 154 ? 18.985 -14.145 -2.770 1.00 43.60 154 A 1 ATOM 1276 C CA . HIS A 1 154 ? 19.207 -13.940 -4.198 1.00 44.82 154 A 1 ATOM 1277 C C . HIS A 1 154 ? 20.679 -14.155 -4.545 1.00 43.42 154 A 1 ATOM 1278 O O . HIS A 1 154 ? 21.561 -13.636 -3.863 1.00 40.39 154 A 1 ATOM 1279 C CB . HIS A 1 154 ? 18.762 -12.536 -4.607 1.00 43.21 154 A 1 ATOM 1280 C CG . HIS A 1 154 ? 18.635 -12.352 -6.089 1.00 39.96 154 A 1 ATOM 1281 N ND1 . HIS A 1 154 ? 19.717 -12.245 -6.921 1.00 36.97 154 A 1 ATOM 1282 C CD2 . HIS A 1 154 ? 17.541 -12.249 -6.875 1.00 36.44 154 A 1 ATOM 1283 C CE1 . HIS A 1 154 ? 19.309 -12.097 -8.167 1.00 35.69 154 A 1 ATOM 1284 N NE2 . HIS A 1 154 ? 17.983 -12.089 -8.166 1.00 35.94 154 A 1 ATOM 1285 N N . HIS A 1 155 ? 20.922 -14.940 -5.586 1.00 36.43 155 A 1 ATOM 1286 C CA . HIS A 1 155 ? 22.292 -15.207 -6.028 1.00 39.66 155 A 1 ATOM 1287 C C . HIS A 1 155 ? 22.745 -14.151 -7.037 1.00 37.05 155 A 1 ATOM 1288 O O . HIS A 1 155 ? 23.944 -13.844 -7.089 1.00 32.56 155 A 1 ATOM 1289 C CB . HIS A 1 155 ? 22.395 -16.603 -6.647 1.00 35.97 155 A 1 ATOM 1290 C CG . HIS A 1 155 ? 22.134 -17.718 -5.679 1.00 33.72 155 A 1 ATOM 1291 N ND1 . HIS A 1 155 ? 20.883 -18.182 -5.392 1.00 29.12 155 A 1 ATOM 1292 C CD2 . HIS A 1 155 ? 22.996 -18.457 -4.950 1.00 27.72 155 A 1 ATOM 1293 C CE1 . HIS A 1 155 ? 20.972 -19.159 -4.513 1.00 28.21 155 A 1 ATOM 1294 N NE2 . HIS A 1 155 ? 22.245 -19.353 -4.227 1.00 31.16 155 A 1 ATOM 1295 O OXT . HIS A 1 155 ? 21.924 -13.645 -7.795 1.00 29.09 155 A 1 #