# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_7fcj # _entry.id 7fcj # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n LYS 2 1 n MET 3 1 n TYR 4 1 n ASP 5 1 n ALA 6 1 n TYR 7 1 n ILE 8 1 n SER 9 1 n TYR 10 1 n VAL 11 1 n ASN 12 1 n ASN 13 1 n GLU 14 1 n ASN 15 1 n ASP 16 1 n ARG 17 1 n LYS 18 1 n PHE 19 1 n VAL 20 1 n ASN 21 1 n PHE 22 1 n ILE 23 1 n LEU 24 1 n LYS 25 1 n PRO 26 1 n HIS 27 1 n LEU 28 1 n GLU 29 1 n ASN 30 1 n LYS 31 1 n TYR 32 1 n SER 33 1 n HIS 34 1 n LYS 35 1 n LEU 36 1 n LEU 37 1 n LEU 38 1 n ASN 39 1 n ASP 40 1 n THR 41 1 n ASN 42 1 n ILE 43 1 n LEU 44 1 n PRO 45 1 n GLY 46 1 n ALA 47 1 n GLU 48 1 n PRO 49 1 n SER 50 1 n ALA 51 1 n GLU 52 1 n LEU 53 1 n LEU 54 1 n MET 55 1 n ASN 56 1 n ILE 57 1 n SER 58 1 n ARG 59 1 n CYS 60 1 n GLN 61 1 n ARG 62 1 n LEU 63 1 n ILE 64 1 n VAL 65 1 n VAL 66 1 n LEU 67 1 n SER 68 1 n GLN 69 1 n SER 70 1 n TYR 71 1 n LEU 72 1 n GLU 73 1 n GLN 74 1 n GLU 75 1 n TRP 76 1 n CYS 77 1 n THR 78 1 n THR 79 1 n ASN 80 1 n PHE 81 1 n ARG 82 1 n GLN 83 1 n GLY 84 1 n LEU 85 1 n TRP 86 1 n HIS 87 1 n LEU 88 1 n ILE 89 1 n GLU 90 1 n LEU 91 1 n SER 92 1 n ARG 93 1 n LYS 94 1 n PRO 95 1 n ILE 96 1 n PHE 97 1 n ILE 98 1 n ILE 99 1 n PHE 100 1 n GLN 101 1 n SER 102 1 n GLN 103 1 n GLN 104 1 n LYS 105 1 n GLN 106 1 n ILE 107 1 n SER 108 1 n GLN 109 1 n ASP 110 1 n ILE 111 1 n SER 112 1 n GLN 113 1 n GLN 114 1 n LEU 115 1 n ARG 116 1 n GLN 117 1 n HIS 118 1 n GLN 119 1 n PRO 120 1 n SER 121 1 n ILE 122 1 n THR 123 1 n MET 124 1 n ILE 125 1 n THR 126 1 n TRP 127 1 n GLY 128 1 n ALA 129 1 n HIS 130 1 n SER 131 1 n MET 132 1 n THR 133 1 n PRO 134 1 n SER 135 1 n SER 136 1 n GLY 137 1 n PHE 138 1 n TRP 139 1 n LYS 140 1 n GLU 141 1 n LEU 142 1 n ALA 143 1 n LEU 144 1 n VAL 145 1 n MET 146 1 n PRO 147 1 n ARG 148 1 n LYS 149 1 n HIS 150 1 n HIS 151 1 n HIS 152 1 n HIS 153 1 n HIS 154 1 n HIS 155 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-09-26 03:39:09)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 88.83 _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 65.22 1 1 A LYS 2 2 76.12 1 2 A MET 3 2 81.35 1 3 A TYR 4 2 94.36 1 4 A ASP 5 2 95.81 1 5 A ALA 6 2 97.26 1 6 A TYR 7 2 91.57 1 7 A ILE 8 2 97.45 1 8 A SER 9 2 98.32 1 9 A TYR 10 2 98.15 1 10 A VAL 11 2 95.85 1 11 A ASN 12 2 93.62 1 12 A ASN 13 2 93.29 1 13 A GLU 14 2 90.92 1 14 A ASN 15 2 88.12 1 15 A ASP 16 2 97.45 1 16 A ARG 17 2 86.75 1 17 A LYS 18 2 92.16 1 18 A PHE 19 2 98.07 1 19 A VAL 20 2 98.35 1 20 A ASN 21 2 93.98 1 21 A PHE 22 2 93.45 1 22 A ILE 23 2 97.19 1 23 A LEU 24 2 97.84 1 24 A LYS 25 2 93.56 1 25 A PRO 26 2 97.02 1 26 A HIS 27 2 88.97 1 27 A LEU 28 2 96.55 1 28 A GLU 29 2 95.71 1 29 A ASN 30 2 92.19 1 30 A LYS 31 2 84.49 1 31 A TYR 32 2 86.49 1 32 A SER 33 2 92.77 1 33 A HIS 34 2 93.59 1 34 A LYS 35 2 87.79 1 35 A LEU 36 2 97.24 1 36 A LEU 37 2 93.60 1 37 A LEU 38 2 95.06 1 38 A ASN 39 2 91.08 1 39 A ASP 40 2 95.73 1 40 A THR 41 2 92.60 1 41 A ASN 42 2 94.82 1 42 A ILE 43 2 96.29 1 43 A LEU 44 2 96.76 1 44 A PRO 45 2 95.77 1 45 A GLY 46 2 94.98 1 46 A ALA 47 2 95.44 1 47 A GLU 48 2 92.60 1 48 A PRO 49 2 97.18 1 49 A SER 50 2 96.94 1 50 A ALA 51 2 96.36 1 51 A GLU 52 2 85.87 1 52 A LEU 53 2 96.41 1 53 A LEU 54 2 95.58 1 54 A MET 55 2 86.12 1 55 A ASN 56 2 90.73 1 56 A ILE 57 2 88.39 1 57 A SER 58 2 91.94 1 58 A ARG 59 2 86.09 1 59 A CYS 60 2 95.42 1 60 A GLN 61 2 89.81 1 61 A ARG 62 2 91.88 1 62 A LEU 63 2 97.47 1 63 A ILE 64 2 98.28 1 64 A VAL 65 2 98.27 1 65 A VAL 66 2 98.37 1 66 A LEU 67 2 96.06 1 67 A SER 68 2 97.38 1 68 A GLN 69 2 84.00 1 69 A SER 70 2 94.85 1 70 A TYR 71 2 97.56 1 71 A LEU 72 2 95.87 1 72 A GLU 73 2 91.12 1 73 A GLN 74 2 94.05 1 74 A GLU 75 2 86.27 1 75 A TRP 76 2 95.55 1 76 A CYS 77 2 95.86 1 77 A THR 78 2 93.54 1 78 A THR 79 2 92.44 1 79 A ASN 80 2 88.56 1 80 A PHE 81 2 96.07 1 81 A ARG 82 2 81.73 1 82 A GLN 83 2 88.32 1 83 A GLY 84 2 97.63 1 84 A LEU 85 2 96.68 1 85 A TRP 86 2 77.40 1 86 A HIS 87 2 94.51 1 87 A LEU 88 2 97.36 1 88 A ILE 89 2 96.47 1 89 A GLU 90 2 85.12 1 90 A LEU 91 2 94.69 1 91 A SER 92 2 89.26 1 92 A ARG 93 2 69.93 1 93 A LYS 94 2 89.21 1 94 A PRO 95 2 96.97 1 95 A ILE 96 2 97.81 1 96 A PHE 97 2 97.06 1 97 A ILE 98 2 98.10 1 98 A ILE 99 2 91.23 1 99 A PHE 100 2 96.96 1 100 A GLN 101 2 88.86 1 101 A SER 102 2 93.66 1 102 A GLN 103 2 91.55 1 103 A GLN 104 2 80.74 1 104 A LYS 105 2 81.07 1 105 A GLN 106 2 81.57 1 106 A ILE 107 2 88.86 1 107 A SER 108 2 91.30 1 108 A GLN 109 2 83.33 1 109 A ASP 110 2 85.69 1 110 A ILE 111 2 93.91 1 111 A SER 112 2 90.71 1 112 A GLN 113 2 84.25 1 113 A GLN 114 2 88.86 1 114 A LEU 115 2 94.47 1 115 A ARG 116 2 77.63 1 116 A GLN 117 2 85.59 1 117 A HIS 118 2 89.31 1 118 A GLN 119 2 78.09 1 119 A PRO 120 2 85.95 1 120 A SER 121 2 94.39 1 121 A ILE 122 2 96.47 1 122 A THR 123 2 96.02 1 123 A MET 124 2 89.09 1 124 A ILE 125 2 96.08 1 125 A THR 126 2 95.58 1 126 A TRP 127 2 97.65 1 127 A GLY 128 2 96.80 1 128 A ALA 129 2 92.14 1 129 A HIS 130 2 84.86 1 130 A SER 131 2 97.02 1 131 A MET 132 2 88.22 1 132 A THR 133 2 91.82 1 133 A PRO 134 2 92.29 1 134 A SER 135 2 93.86 1 135 A SER 136 2 96.94 1 136 A GLY 137 2 96.98 1 137 A PHE 138 2 97.94 1 138 A TRP 139 2 97.25 1 139 A LYS 140 2 89.75 1 140 A GLU 141 2 89.89 1 141 A LEU 142 2 97.18 1 142 A ALA 143 2 95.59 1 143 A LEU 144 2 90.16 1 144 A VAL 145 2 94.59 1 145 A MET 146 2 94.52 1 146 A PRO 147 2 91.71 1 147 A ARG 148 2 65.25 1 148 A LYS 149 2 62.66 1 149 A HIS 150 2 46.01 1 150 A HIS 151 2 44.90 1 151 A HIS 152 2 39.56 1 152 A HIS 153 2 38.99 1 153 A HIS 154 2 36.42 1 154 A HIS 155 2 31.27 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 ? 18.865 5.073 -9.662 1.00 66.45 1 A 1 ATOM 2 C CA . MET A 1 1 ? 18.996 3.888 -8.791 1.00 75.40 1 A 1 ATOM 3 C C . MET A 1 1 ? 17.936 3.987 -7.709 1.00 79.48 1 A 1 ATOM 4 O O . MET A 1 1 ? 17.818 5.041 -7.094 1.00 75.19 1 A 1 ATOM 5 C CB . MET A 1 1 ? 20.410 3.820 -8.205 1.00 66.90 1 A 1 ATOM 6 C CG . MET A 1 1 ? 20.699 2.524 -7.440 1.00 58.14 1 A 1 ATOM 7 S SD . MET A 1 1 ? 22.447 2.427 -6.942 1.00 53.66 1 A 1 ATOM 8 C CE . MET A 1 1 ? 22.453 0.868 -6.033 1.00 46.52 1 A 1 ATOM 9 N N . LYS A 1 2 ? 17.126 2.950 -7.510 1.00 76.58 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 16.074 2.975 -6.485 1.00 82.12 2 A 1 ATOM 11 C C . LYS A 1 2 ? 16.729 2.857 -5.104 1.00 84.15 2 A 1 ATOM 12 O O . LYS A 1 2 ? 17.463 1.907 -4.868 1.00 81.58 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 15.027 1.894 -6.753 1.00 76.86 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 14.247 2.167 -8.051 1.00 76.02 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 13.030 1.258 -8.222 1.00 73.86 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 12.214 1.688 -9.443 1.00 70.05 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 10.826 1.169 -9.427 1.00 63.84 2 A 1 ATOM 18 N N . MET A 1 3 ? 16.489 3.846 -4.239 1.00 89.08 3 A 1 ATOM 19 C CA . MET A 1 3 ? 17.120 3.923 -2.909 1.00 90.92 3 A 1 ATOM 20 C C . MET A 1 3 ? 16.360 3.149 -1.833 1.00 92.81 3 A 1 ATOM 21 O O . MET A 1 3 ? 16.944 2.767 -0.823 1.00 90.25 3 A 1 ATOM 22 C CB . MET A 1 3 ? 17.225 5.394 -2.480 1.00 85.09 3 A 1 ATOM 23 C CG . MET A 1 3 ? 18.321 6.147 -3.238 1.00 74.17 3 A 1 ATOM 24 S SD . MET A 1 3 ? 18.540 7.836 -2.619 1.00 68.49 3 A 1 ATOM 25 C CE . MET A 1 3 ? 20.214 8.167 -3.209 1.00 60.00 3 A 1 ATOM 26 N N . TYR A 1 4 ? 15.058 2.943 -2.047 1.00 96.01 4 A 1 ATOM 27 C CA . TYR A 1 4 ? 14.168 2.301 -1.092 1.00 96.57 4 A 1 ATOM 28 C C . TYR A 1 4 ? 13.563 1.034 -1.691 1.00 96.63 4 A 1 ATOM 29 O O . TYR A 1 4 ? 13.317 0.950 -2.901 1.00 95.74 4 A 1 ATOM 30 C CB . TYR A 1 4 ? 13.085 3.288 -0.652 1.00 96.25 4 A 1 ATOM 31 C CG . TYR A 1 4 ? 13.622 4.535 0.014 1.00 95.75 4 A 1 ATOM 32 C CD1 . TYR A 1 4 ? 13.930 4.532 1.386 1.00 93.86 4 A 1 ATOM 33 C CD2 . TYR A 1 4 ? 13.835 5.710 -0.736 1.00 93.74 4 A 1 ATOM 34 C CE1 . TYR A 1 4 ? 14.439 5.683 2.007 1.00 92.16 4 A 1 ATOM 35 C CE2 . TYR A 1 4 ? 14.347 6.867 -0.126 1.00 92.40 4 A 1 ATOM 36 C CZ . TYR A 1 4 ? 14.647 6.848 1.249 1.00 92.76 4 A 1 ATOM 37 O OH . TYR A 1 4 ? 15.147 7.980 1.854 1.00 90.40 4 A 1 ATOM 38 N N . ASP A 1 5 ? 13.302 0.065 -0.822 1.00 97.10 5 A 1 ATOM 39 C CA . ASP A 1 5 ? 12.663 -1.189 -1.214 1.00 97.06 5 A 1 ATOM 40 C C . ASP A 1 5 ? 11.148 -1.012 -1.379 1.00 97.02 5 A 1 ATOM 41 O O . ASP A 1 5 ? 10.557 -1.581 -2.300 1.00 96.51 5 A 1 ATOM 42 C CB . ASP A 1 5 ? 12.993 -2.269 -0.180 1.00 96.81 5 A 1 ATOM 43 C CG . ASP A 1 5 ? 14.495 -2.517 -0.035 1.00 95.89 5 A 1 ATOM 44 O OD1 . ASP A 1 5 ? 15.177 -2.781 -1.045 1.00 93.38 5 A 1 ATOM 45 O OD2 . ASP A 1 5 ? 15.001 -2.455 1.109 1.00 92.75 5 A 1 ATOM 46 N N . ALA A 1 6 ? 10.531 -0.186 -0.522 1.00 97.32 6 A 1 ATOM 47 C CA . ALA A 1 6 ? 9.113 0.130 -0.637 1.00 97.39 6 A 1 ATOM 48 C C . ALA A 1 6 ? 8.766 1.559 -0.212 1.00 97.48 6 A 1 ATOM 49 O O . ALA A 1 6 ? 9.353 2.125 0.708 1.00 97.04 6 A 1 ATOM 50 C CB . ALA A 1 6 ? 8.296 -0.891 0.154 1.00 97.05 6 A 1 ATOM 51 N N . TYR A 1 7 ? 7.749 2.096 -0.881 1.00 97.18 7 A 1 ATOM 52 C CA . TYR A 1 7 ? 6.978 3.268 -0.469 1.00 97.35 7 A 1 ATOM 53 C C . TYR A 1 7 ? 5.700 2.787 0.212 1.00 97.61 7 A 1 ATOM 54 O O . TYR A 1 7 ? 5.004 1.950 -0.356 1.00 97.25 7 A 1 ATOM 55 C CB . TYR A 1 7 ? 6.662 4.097 -1.708 1.00 96.41 7 A 1 ATOM 56 C CG . TYR A 1 7 ? 6.077 5.452 -1.407 1.00 94.87 7 A 1 ATOM 57 C CD1 . TYR A 1 7 ? 4.686 5.673 -1.403 1.00 91.01 7 A 1 ATOM 58 C CD2 . TYR A 1 7 ? 6.950 6.528 -1.177 1.00 90.14 7 A 1 ATOM 59 C CE1 . TYR A 1 7 ? 4.178 6.972 -1.219 1.00 85.76 7 A 1 ATOM 60 C CE2 . TYR A 1 7 ? 6.454 7.823 -0.992 1.00 85.54 7 A 1 ATOM 61 C CZ . TYR A 1 7 ? 5.070 8.048 -1.038 1.00 85.11 7 A 1 ATOM 62 O OH . TYR A 1 7 ? 4.608 9.334 -0.941 1.00 80.66 7 A 1 ATOM 63 N N . ILE A 1 8 ? 5.406 3.282 1.412 1.00 97.92 8 A 1 ATOM 64 C CA . ILE A 1 8 ? 4.208 2.902 2.170 1.00 98.16 8 A 1 ATOM 65 C C . ILE A 1 8 ? 3.277 4.106 2.234 1.00 98.13 8 A 1 ATOM 66 O O . ILE A 1 8 ? 3.586 5.081 2.915 1.00 97.84 8 A 1 ATOM 67 C CB . ILE A 1 8 ? 4.554 2.356 3.574 1.00 98.17 8 A 1 ATOM 68 C CG1 . ILE A 1 8 ? 5.560 1.185 3.471 1.00 97.18 8 A 1 ATOM 69 C CG2 . ILE A 1 8 ? 3.265 1.919 4.296 1.00 97.57 8 A 1 ATOM 70 C CD1 . ILE A 1 8 ? 5.952 0.561 4.817 1.00 94.66 8 A 1 ATOM 71 N N . SER A 1 9 ? 2.141 4.016 1.558 1.00 98.41 9 A 1 ATOM 72 C CA . SER A 1 9 ? 1.052 4.986 1.651 1.00 98.50 9 A 1 ATOM 73 C C . SER A 1 9 ? 0.020 4.506 2.667 1.00 98.58 9 A 1 ATOM 74 O O . SER A 1 9 ? -0.462 3.374 2.583 1.00 98.47 9 A 1 ATOM 75 C CB . SER A 1 9 ? 0.412 5.199 0.279 1.00 98.35 9 A 1 ATOM 76 O OG . SER A 1 9 ? -0.659 6.118 0.364 1.00 97.61 9 A 1 ATOM 77 N N . TYR A 1 10 ? -0.316 5.365 3.625 1.00 98.56 10 A 1 ATOM 78 C CA . TYR A 1 10 ? -1.313 5.088 4.656 1.00 98.62 10 A 1 ATOM 79 C C . TYR A 1 10 ? -1.977 6.390 5.115 1.00 98.51 10 A 1 ATOM 80 O O . TYR A 1 10 ? -1.467 7.474 4.847 1.00 98.22 10 A 1 ATOM 81 C CB . TYR A 1 10 ? -0.656 4.355 5.839 1.00 98.59 10 A 1 ATOM 82 C CG . TYR A 1 10 ? 0.300 5.186 6.674 1.00 98.58 10 A 1 ATOM 83 C CD1 . TYR A 1 10 ? 1.583 5.520 6.189 1.00 98.38 10 A 1 ATOM 84 C CD2 . TYR A 1 10 ? -0.086 5.639 7.949 1.00 98.30 10 A 1 ATOM 85 C CE1 . TYR A 1 10 ? 2.461 6.298 6.957 1.00 97.91 10 A 1 ATOM 86 C CE2 . TYR A 1 10 ? 0.786 6.420 8.728 1.00 97.82 10 A 1 ATOM 87 C CZ . TYR A 1 10 ? 2.058 6.747 8.227 1.00 97.69 10 A 1 ATOM 88 O OH . TYR A 1 10 ? 2.909 7.519 8.985 1.00 96.58 10 A 1 ATOM 89 N N . VAL A 1 11 ? -3.104 6.295 5.826 1.00 98.33 11 A 1 ATOM 90 C CA . VAL A 1 11 ? -3.731 7.460 6.465 1.00 98.11 11 A 1 ATOM 91 C C . VAL A 1 11 ? -3.329 7.554 7.931 1.00 98.10 11 A 1 ATOM 92 O O . VAL A 1 11 ? -3.193 6.543 8.625 1.00 97.25 11 A 1 ATOM 93 C CB . VAL A 1 11 ? -5.259 7.484 6.304 1.00 96.96 11 A 1 ATOM 94 C CG1 . VAL A 1 11 ? -5.625 7.759 4.847 1.00 89.67 11 A 1 ATOM 95 C CG2 . VAL A 1 11 ? -5.925 6.197 6.771 1.00 92.50 11 A 1 ATOM 96 N N . ASN A 1 12 ? -3.145 8.778 8.419 1.00 97.60 12 A 1 ATOM 97 C CA . ASN A 1 12 ? -2.695 9.038 9.785 1.00 97.08 12 A 1 ATOM 98 C C . ASN A 1 12 ? -3.861 9.059 10.787 1.00 96.70 12 A 1 ATOM 99 O O . ASN A 1 12 ? -4.160 10.075 11.412 1.00 94.43 12 A 1 ATOM 100 C CB . ASN A 1 12 ? -1.837 10.314 9.786 1.00 95.35 12 A 1 ATOM 101 C CG . ASN A 1 12 ? -1.028 10.494 11.061 1.00 93.42 12 A 1 ATOM 102 O OD1 . ASN A 1 12 ? -1.106 9.754 12.029 1.00 88.48 12 A 1 ATOM 103 N ND2 . ASN A 1 12 ? -0.177 11.496 11.075 1.00 85.92 12 A 1 ATOM 104 N N . ASN A 1 13 ? -4.524 7.930 10.966 1.00 97.17 13 A 1 ATOM 105 C CA . ASN A 1 13 ? -5.383 7.666 12.114 1.00 96.54 13 A 1 ATOM 106 C C . ASN A 1 13 ? -4.654 6.772 13.129 1.00 97.12 13 A 1 ATOM 107 O O . ASN A 1 13 ? -3.598 6.203 12.849 1.00 96.26 13 A 1 ATOM 108 C CB . ASN A 1 13 ? -6.742 7.117 11.644 1.00 94.09 13 A 1 ATOM 109 C CG . ASN A 1 13 ? -6.663 5.689 11.155 1.00 93.00 13 A 1 ATOM 110 O OD1 . ASN A 1 13 ? -6.191 4.792 11.835 1.00 86.18 13 A 1 ATOM 111 N ND2 . ASN A 1 13 ? -7.148 5.427 9.965 1.00 85.93 13 A 1 ATOM 112 N N . GLU A 1 14 ? -5.215 6.645 14.335 1.00 97.11 14 A 1 ATOM 113 C CA . GLU A 1 14 ? -4.532 5.927 15.413 1.00 97.16 14 A 1 ATOM 114 C C . GLU A 1 14 ? -4.262 4.448 15.080 1.00 97.22 14 A 1 ATOM 115 O O . GLU A 1 14 ? -3.168 3.940 15.355 1.00 96.37 14 A 1 ATOM 116 C CB . GLU A 1 14 ? -5.355 6.058 16.704 1.00 96.50 14 A 1 ATOM 117 C CG . GLU A 1 14 ? -4.587 5.462 17.888 1.00 90.00 14 A 1 ATOM 118 C CD . GLU A 1 14 ? -5.316 5.549 19.227 1.00 85.13 14 A 1 ATOM 119 O OE1 . GLU A 1 14 ? -4.717 5.027 20.201 1.00 79.71 14 A 1 ATOM 120 O OE2 . GLU A 1 14 ? -6.435 6.083 19.290 1.00 79.04 14 A 1 ATOM 121 N N . ASN A 1 15 ? -5.242 3.758 14.487 1.00 96.80 15 A 1 ATOM 122 C CA . ASN A 1 15 ? -5.124 2.339 14.161 1.00 96.50 15 A 1 ATOM 123 C C . ASN A 1 15 ? -4.070 2.101 13.075 1.00 97.23 15 A 1 ATOM 124 O O . ASN A 1 15 ? -3.124 1.334 13.278 1.00 97.14 15 A 1 ATOM 125 C CB . ASN A 1 15 ? -6.504 1.814 13.739 1.00 94.95 15 A 1 ATOM 126 C CG . ASN A 1 15 ? -6.463 0.318 13.502 1.00 81.14 15 A 1 ATOM 127 O OD1 . ASN A 1 15 ? -6.122 -0.172 12.450 1.00 71.39 15 A 1 ATOM 128 N ND2 . ASN A 1 15 ? -6.775 -0.468 14.513 1.00 69.80 15 A 1 ATOM 129 N N . ASP A 1 16 ? -4.190 2.813 11.974 1.00 97.69 16 A 1 ATOM 130 C CA . ASP A 1 16 ? -3.334 2.618 10.804 1.00 98.16 16 A 1 ATOM 131 C C . ASP A 1 16 ? -1.909 3.101 11.085 1.00 98.36 16 A 1 ATOM 132 O O . ASP A 1 16 ? -0.941 2.416 10.748 1.00 98.23 16 A 1 ATOM 133 C CB . ASP A 1 16 ? -3.944 3.337 9.591 1.00 97.98 16 A 1 ATOM 134 C CG . ASP A 1 16 ? -5.312 2.791 9.173 1.00 97.63 16 A 1 ATOM 135 O OD1 . ASP A 1 16 ? -5.824 1.825 9.787 1.00 96.08 16 A 1 ATOM 136 O OD2 . ASP A 1 16 ? -5.877 3.351 8.214 1.00 95.49 16 A 1 ATOM 137 N N . ARG A 1 17 ? -1.760 4.220 11.809 1.00 98.24 17 A 1 ATOM 138 C CA . ARG A 1 17 ? -0.456 4.703 12.276 1.00 98.18 17 A 1 ATOM 139 C C . ARG A 1 17 ? 0.232 3.686 13.181 1.00 98.20 17 A 1 ATOM 140 O O . ARG A 1 17 ? 1.428 3.445 13.024 1.00 97.85 17 A 1 ATOM 141 C CB . ARG A 1 17 ? -0.636 6.053 12.987 1.00 97.38 17 A 1 ATOM 142 C CG . ARG A 1 17 ? 0.705 6.665 13.419 1.00 92.95 17 A 1 ATOM 143 C CD . ARG A 1 17 ? 0.501 7.988 14.161 1.00 89.65 17 A 1 ATOM 144 N NE . ARG A 1 17 ? -0.177 7.780 15.458 1.00 80.02 17 A 1 ATOM 145 C CZ . ARG A 1 17 ? -0.295 8.672 16.428 1.00 72.34 17 A 1 ATOM 146 N NH1 . ARG A 1 17 ? 0.214 9.868 16.321 1.00 64.52 17 A 1 ATOM 147 N NH2 . ARG A 1 17 ? -0.927 8.369 17.528 1.00 64.89 17 A 1 ATOM 148 N N . LYS A 1 18 ? -0.496 3.080 14.123 1.00 98.14 18 A 1 ATOM 149 C CA . LYS A 1 18 ? 0.048 2.014 14.982 1.00 97.99 18 A 1 ATOM 150 C C . LYS A 1 18 ? 0.448 0.792 14.157 1.00 98.06 18 A 1 ATOM 151 O O . LYS A 1 18 ? 1.558 0.292 14.323 1.00 97.78 18 A 1 ATOM 152 C CB . LYS A 1 18 ? -0.961 1.626 16.074 1.00 97.65 18 A 1 ATOM 153 C CG . LYS A 1 18 ? -0.975 2.626 17.240 1.00 93.00 18 A 1 ATOM 154 C CD . LYS A 1 18 ? -2.067 2.241 18.253 1.00 90.13 18 A 1 ATOM 155 C CE . LYS A 1 18 ? -2.070 3.212 19.439 1.00 81.82 18 A 1 ATOM 156 N NZ . LYS A 1 18 ? -3.209 2.964 20.366 1.00 74.83 18 A 1 ATOM 157 N N . PHE A 1 19 ? -0.407 0.351 13.245 1.00 98.05 19 A 1 ATOM 158 C CA . PHE A 1 19 ? -0.099 -0.777 12.368 1.00 98.15 19 A 1 ATOM 159 C C . PHE A 1 19 ? 1.173 -0.530 11.545 1.00 98.22 19 A 1 ATOM 160 O O . PHE A 1 19 ? 2.094 -1.348 11.563 1.00 98.16 19 A 1 ATOM 161 C CB . PHE A 1 19 ? -1.302 -1.062 11.463 1.00 98.09 19 A 1 ATOM 162 C CG . PHE A 1 19 ? -1.007 -2.114 10.417 1.00 98.26 19 A 1 ATOM 163 C CD1 . PHE A 1 19 ? -0.793 -1.749 9.075 1.00 98.09 19 A 1 ATOM 164 C CD2 . PHE A 1 19 ? -0.886 -3.464 10.793 1.00 98.11 19 A 1 ATOM 165 C CE1 . PHE A 1 19 ? -0.470 -2.723 8.114 1.00 97.89 19 A 1 ATOM 166 C CE2 . PHE A 1 19 ? -0.563 -4.443 9.838 1.00 97.82 19 A 1 ATOM 167 C CZ . PHE A 1 19 ? -0.356 -4.069 8.501 1.00 97.95 19 A 1 ATOM 168 N N . VAL A 1 20 ? 1.270 0.623 10.894 1.00 98.53 20 A 1 ATOM 169 C CA . VAL A 1 20 ? 2.432 0.960 10.061 1.00 98.57 20 A 1 ATOM 170 C C . VAL A 1 20 ? 3.700 1.114 10.900 1.00 98.47 20 A 1 ATOM 171 O O . VAL A 1 20 ? 4.704 0.468 10.605 1.00 98.32 20 A 1 ATOM 172 C CB . VAL A 1 20 ? 2.150 2.213 9.214 1.00 98.52 20 A 1 ATOM 173 C CG1 . VAL A 1 20 ? 3.397 2.710 8.475 1.00 97.98 20 A 1 ATOM 174 C CG2 . VAL A 1 20 ? 1.088 1.896 8.156 1.00 98.05 20 A 1 ATOM 175 N N . ASN A 1 21 ? 3.662 1.933 11.956 1.00 98.36 21 A 1 ATOM 176 C CA . ASN A 1 21 ? 4.873 2.300 12.693 1.00 98.10 21 A 1 ATOM 177 C C . ASN A 1 21 ? 5.337 1.253 13.709 1.00 98.01 21 A 1 ATOM 178 O O . ASN A 1 21 ? 6.534 1.190 13.994 1.00 97.24 21 A 1 ATOM 179 C CB . ASN A 1 21 ? 4.681 3.666 13.363 1.00 97.55 21 A 1 ATOM 180 C CG . ASN A 1 21 ? 4.682 4.787 12.341 1.00 94.55 21 A 1 ATOM 181 O OD1 . ASN A 1 21 ? 5.713 5.158 11.808 1.00 85.27 21 A 1 ATOM 182 N ND2 . ASN A 1 21 ? 3.532 5.334 12.020 1.00 82.73 21 A 1 ATOM 183 N N . PHE A 1 22 ? 4.429 0.440 14.253 1.00 97.90 22 A 1 ATOM 184 C CA . PHE A 1 22 ? 4.766 -0.529 15.301 1.00 97.73 22 A 1 ATOM 185 C C . PHE A 1 22 ? 4.726 -1.987 14.840 1.00 97.66 22 A 1 ATOM 186 O O . PHE A 1 22 ? 5.265 -2.846 15.537 1.00 96.69 22 A 1 ATOM 187 C CB . PHE A 1 22 ? 3.878 -0.299 16.531 1.00 97.29 22 A 1 ATOM 188 C CG . PHE A 1 22 ? 3.972 1.097 17.119 1.00 95.40 22 A 1 ATOM 189 C CD1 . PHE A 1 22 ? 5.222 1.636 17.477 1.00 91.19 22 A 1 ATOM 190 C CD2 . PHE A 1 22 ? 2.810 1.866 17.318 1.00 90.48 22 A 1 ATOM 191 C CE1 . PHE A 1 22 ? 5.311 2.927 18.023 1.00 88.38 22 A 1 ATOM 192 C CE2 . PHE A 1 22 ? 2.895 3.156 17.865 1.00 87.72 22 A 1 ATOM 193 C CZ . PHE A 1 22 ? 4.146 3.686 18.214 1.00 87.47 22 A 1 ATOM 194 N N . ILE A 1 23 ? 4.144 -2.287 13.683 1.00 97.99 23 A 1 ATOM 195 C CA . ILE A 1 23 ? 4.051 -3.655 13.167 1.00 97.93 23 A 1 ATOM 196 C C . ILE A 1 23 ? 4.741 -3.766 11.808 1.00 98.02 23 A 1 ATOM 197 O O . ILE A 1 23 ? 5.741 -4.477 11.682 1.00 97.77 23 A 1 ATOM 198 C CB . ILE A 1 23 ? 2.585 -4.154 13.151 1.00 97.75 23 A 1 ATOM 199 C CG1 . ILE A 1 23 ? 1.942 -4.050 14.559 1.00 96.97 23 A 1 ATOM 200 C CG2 . ILE A 1 23 ? 2.536 -5.596 12.618 1.00 97.10 23 A 1 ATOM 201 C CD1 . ILE A 1 23 ? 0.459 -4.430 14.611 1.00 93.98 23 A 1 ATOM 202 N N . LEU A 1 24 ? 4.239 -3.071 10.793 1.00 98.14 24 A 1 ATOM 203 C CA . LEU A 1 24 ? 4.703 -3.246 9.419 1.00 98.20 24 A 1 ATOM 204 C C . LEU A 1 24 ? 6.150 -2.771 9.240 1.00 98.13 24 A 1 ATOM 205 O O . LEU A 1 24 ? 7.011 -3.558 8.835 1.00 97.93 24 A 1 ATOM 206 C CB . LEU A 1 24 ? 3.725 -2.528 8.471 1.00 98.19 24 A 1 ATOM 207 C CG . LEU A 1 24 ? 4.050 -2.700 6.976 1.00 97.57 24 A 1 ATOM 208 C CD1 . LEU A 1 24 ? 3.929 -4.156 6.532 1.00 97.26 24 A 1 ATOM 209 C CD2 . LEU A 1 24 ? 3.085 -1.855 6.147 1.00 97.31 24 A 1 ATOM 210 N N . LYS A 1 25 ? 6.419 -1.509 9.567 1.00 98.21 25 A 1 ATOM 211 C CA . LYS A 1 25 ? 7.747 -0.896 9.435 1.00 98.09 25 A 1 ATOM 212 C C . LYS A 1 25 ? 8.815 -1.648 10.236 1.00 97.92 25 A 1 ATOM 213 O O . LYS A 1 25 ? 9.789 -2.077 9.616 1.00 97.70 25 A 1 ATOM 214 C CB . LYS A 1 25 ? 7.670 0.606 9.750 1.00 97.80 25 A 1 ATOM 215 C CG . LYS A 1 25 ? 9.042 1.301 9.792 1.00 95.49 25 A 1 ATOM 216 C CD . LYS A 1 25 ? 8.878 2.808 10.088 1.00 92.82 25 A 1 ATOM 217 C CE . LYS A 1 25 ? 10.211 3.566 10.007 1.00 85.22 25 A 1 ATOM 218 N NZ . LYS A 1 25 ? 11.189 3.135 11.041 1.00 78.76 25 A 1 ATOM 219 N N . PRO A 1 26 ? 8.640 -1.898 11.549 1.00 97.87 26 A 1 ATOM 220 C CA . PRO A 1 26 ? 9.667 -2.598 12.324 1.00 97.51 26 A 1 ATOM 221 C C . PRO A 1 26 ? 9.958 -4.000 11.802 1.00 97.21 26 A 1 ATOM 222 O O . PRO A 1 26 ? 11.111 -4.419 11.780 1.00 96.52 26 A 1 ATOM 223 C CB . PRO A 1 26 ? 9.152 -2.647 13.761 1.00 97.02 26 A 1 ATOM 224 C CG . PRO A 1 26 ? 8.220 -1.450 13.834 1.00 95.38 26 A 1 ATOM 225 C CD . PRO A 1 26 ? 7.598 -1.438 12.446 1.00 97.62 26 A 1 ATOM 226 N N . HIS A 1 27 ? 8.946 -4.730 11.344 1.00 97.23 27 A 1 ATOM 227 C CA . HIS A 1 27 ? 9.161 -6.075 10.817 1.00 96.76 27 A 1 ATOM 228 C C . HIS A 1 27 ? 9.937 -6.050 9.496 1.00 96.56 27 A 1 ATOM 229 O O . HIS A 1 27 ? 10.905 -6.797 9.331 1.00 95.96 27 A 1 ATOM 230 C CB . HIS A 1 27 ? 7.818 -6.784 10.678 1.00 96.05 27 A 1 ATOM 231 C CG . HIS A 1 27 ? 7.944 -8.278 10.618 1.00 91.85 27 A 1 ATOM 232 N ND1 . HIS A 1 27 ? 7.598 -9.143 11.641 1.00 77.26 27 A 1 ATOM 233 C CD2 . HIS A 1 27 ? 8.365 -9.048 9.573 1.00 78.43 27 A 1 ATOM 234 C CE1 . HIS A 1 27 ? 7.780 -10.394 11.201 1.00 79.20 27 A 1 ATOM 235 N NE2 . HIS A 1 27 ? 8.257 -10.378 9.958 1.00 80.36 27 A 1 ATOM 236 N N . LEU A 1 28 ? 9.557 -5.168 8.580 1.00 97.25 28 A 1 ATOM 237 C CA . LEU A 1 28 ? 10.251 -5.037 7.300 1.00 97.07 28 A 1 ATOM 238 C C . LEU A 1 28 ? 11.686 -4.508 7.461 1.00 96.56 28 A 1 ATOM 239 O O . LEU A 1 28 ? 12.593 -5.005 6.796 1.00 95.87 28 A 1 ATOM 240 C CB . LEU A 1 28 ? 9.436 -4.128 6.366 1.00 97.25 28 A 1 ATOM 241 C CG . LEU A 1 28 ? 8.117 -4.733 5.852 1.00 96.71 28 A 1 ATOM 242 C CD1 . LEU A 1 28 ? 7.384 -3.695 5.006 1.00 95.97 28 A 1 ATOM 243 C CD2 . LEU A 1 28 ? 8.349 -5.971 4.986 1.00 95.68 28 A 1 ATOM 244 N N . GLU A 1 29 ? 11.899 -3.548 8.348 1.00 97.23 29 A 1 ATOM 245 C CA . GLU A 1 29 ? 13.231 -2.980 8.589 1.00 96.99 29 A 1 ATOM 246 C C . GLU A 1 29 ? 14.128 -3.924 9.399 1.00 96.22 29 A 1 ATOM 247 O O . GLU A 1 29 ? 15.223 -4.267 8.956 1.00 95.10 29 A 1 ATOM 248 C CB . GLU A 1 29 ? 13.115 -1.621 9.290 1.00 97.06 29 A 1 ATOM 249 C CG . GLU A 1 29 ? 12.553 -0.538 8.365 1.00 96.07 29 A 1 ATOM 250 C CD . GLU A 1 29 ? 12.441 0.838 9.037 1.00 95.77 29 A 1 ATOM 251 O OE1 . GLU A 1 29 ? 12.344 1.854 8.318 1.00 93.25 29 A 1 ATOM 252 O OE2 . GLU A 1 29 ? 12.381 0.937 10.285 1.00 93.71 29 A 1 ATOM 253 N N . ASN A 1 30 ? 13.664 -4.380 10.553 1.00 96.19 30 A 1 ATOM 254 C CA . ASN A 1 30 ? 14.511 -5.101 11.503 1.00 95.40 30 A 1 ATOM 255 C C . ASN A 1 30 ? 14.690 -6.572 11.131 1.00 94.34 30 A 1 ATOM 256 O O . ASN A 1 30 ? 15.750 -7.143 11.365 1.00 92.38 30 A 1 ATOM 257 C CB . ASN A 1 30 ? 13.933 -4.974 12.921 1.00 94.89 30 A 1 ATOM 258 C CG . ASN A 1 30 ? 13.807 -3.534 13.390 1.00 92.15 30 A 1 ATOM 259 O OD1 . ASN A 1 30 ? 14.478 -2.633 12.932 1.00 86.85 30 A 1 ATOM 260 N ND2 . ASN A 1 30 ? 12.932 -3.277 14.338 1.00 85.28 30 A 1 ATOM 261 N N . LYS A 1 31 ? 13.646 -7.210 10.567 1.00 94.46 31 A 1 ATOM 262 C CA . LYS A 1 31 ? 13.701 -8.635 10.237 1.00 92.85 31 A 1 ATOM 263 C C . LYS A 1 31 ? 14.112 -8.898 8.791 1.00 92.12 31 A 1 ATOM 264 O O . LYS A 1 31 ? 14.827 -9.862 8.530 1.00 89.78 31 A 1 ATOM 265 C CB . LYS A 1 31 ? 12.368 -9.298 10.592 1.00 91.65 31 A 1 ATOM 266 C CG . LYS A 1 31 ? 12.499 -10.815 10.520 1.00 85.06 31 A 1 ATOM 267 C CD . LYS A 1 31 ? 11.210 -11.491 10.960 1.00 79.01 31 A 1 ATOM 268 C CE . LYS A 1 31 ? 11.426 -12.995 10.869 1.00 71.85 31 A 1 ATOM 269 N NZ . LYS A 1 31 ? 10.242 -13.738 11.315 1.00 63.67 31 A 1 ATOM 270 N N . TYR A 1 32 ? 13.665 -8.058 7.867 1.00 93.28 32 A 1 ATOM 271 C CA . TYR A 1 32 ? 13.985 -8.215 6.445 1.00 92.51 32 A 1 ATOM 272 C C . TYR A 1 32 ? 15.004 -7.187 5.932 1.00 92.53 32 A 1 ATOM 273 O O . TYR A 1 32 ? 15.330 -7.182 4.744 1.00 90.65 32 A 1 ATOM 274 C CB . TYR A 1 32 ? 12.689 -8.227 5.625 1.00 91.24 32 A 1 ATOM 275 C CG . TYR A 1 32 ? 11.654 -9.263 6.026 1.00 88.83 32 A 1 ATOM 276 C CD1 . TYR A 1 32 ? 12.033 -10.555 6.444 1.00 84.13 32 A 1 ATOM 277 C CD2 . TYR A 1 32 ? 10.285 -8.944 5.945 1.00 83.89 32 A 1 ATOM 278 C CE1 . TYR A 1 32 ? 11.063 -11.511 6.787 1.00 81.24 32 A 1 ATOM 279 C CE2 . TYR A 1 32 ? 9.309 -9.897 6.279 1.00 81.11 32 A 1 ATOM 280 C CZ . TYR A 1 32 ? 9.702 -11.179 6.701 1.00 81.08 32 A 1 ATOM 281 O OH . TYR A 1 32 ? 8.752 -12.111 7.033 1.00 77.37 32 A 1 ATOM 282 N N . SER A 1 33 ? 15.518 -6.319 6.799 1.00 94.24 33 A 1 ATOM 283 C CA . SER A 1 33 ? 16.502 -5.272 6.505 1.00 94.71 33 A 1 ATOM 284 C C . SER A 1 33 ? 16.075 -4.300 5.400 1.00 95.39 33 A 1 ATOM 285 O O . SER A 1 33 ? 16.921 -3.644 4.798 1.00 93.85 33 A 1 ATOM 286 C CB . SER A 1 33 ? 17.878 -5.885 6.225 1.00 93.28 33 A 1 ATOM 287 O OG . SER A 1 33 ? 18.282 -6.684 7.318 1.00 85.18 33 A 1 ATOM 288 N N . HIS A 1 34 ? 14.767 -4.204 5.095 1.00 96.12 34 A 1 ATOM 289 C CA . HIS A 1 34 ? 14.276 -3.336 4.029 1.00 96.70 34 A 1 ATOM 290 C C . HIS A 1 34 ? 14.404 -1.854 4.384 1.00 97.03 34 A 1 ATOM 291 O O . HIS A 1 34 ? 14.204 -1.450 5.521 1.00 96.70 34 A 1 ATOM 292 C CB . HIS A 1 34 ? 12.841 -3.702 3.659 1.00 96.35 34 A 1 ATOM 293 C CG . HIS A 1 34 ? 12.757 -4.967 2.858 1.00 95.84 34 A 1 ATOM 294 N ND1 . HIS A 1 34 ? 13.455 -5.243 1.696 1.00 88.22 34 A 1 ATOM 295 C CD2 . HIS A 1 34 ? 11.980 -6.068 3.125 1.00 88.43 34 A 1 ATOM 296 C CE1 . HIS A 1 34 ? 13.105 -6.471 1.287 1.00 89.67 34 A 1 ATOM 297 N NE2 . HIS A 1 34 ? 12.211 -7.002 2.126 1.00 90.89 34 A 1 ATOM 298 N N . LYS A 1 35 ? 14.713 -1.022 3.374 1.00 97.05 35 A 1 ATOM 299 C CA . LYS A 1 35 ? 14.650 0.435 3.483 1.00 97.05 35 A 1 ATOM 300 C C . LYS A 1 35 ? 13.282 0.904 3.013 1.00 97.27 35 A 1 ATOM 301 O O . LYS A 1 35 ? 12.884 0.602 1.888 1.00 96.78 35 A 1 ATOM 302 C CB . LYS A 1 35 ? 15.765 1.099 2.674 1.00 96.28 35 A 1 ATOM 303 C CG . LYS A 1 35 ? 17.155 0.807 3.258 1.00 87.74 35 A 1 ATOM 304 C CD . LYS A 1 35 ? 18.223 1.576 2.478 1.00 82.48 35 A 1 ATOM 305 C CE . LYS A 1 35 ? 19.604 1.321 3.082 1.00 71.80 35 A 1 ATOM 306 N NZ . LYS A 1 35 ? 20.656 2.128 2.411 1.00 63.69 35 A 1 ATOM 307 N N . LEU A 1 36 ? 12.591 1.656 3.863 1.00 97.59 36 A 1 ATOM 308 C CA . LEU A 1 36 ? 11.220 2.091 3.626 1.00 97.63 36 A 1 ATOM 309 C C . LEU A 1 36 ? 11.142 3.610 3.531 1.00 97.46 36 A 1 ATOM 310 O O . LEU A 1 36 ? 11.906 4.327 4.178 1.00 96.97 36 A 1 ATOM 311 C CB . LEU A 1 36 ? 10.301 1.554 4.736 1.00 97.62 36 A 1 ATOM 312 C CG . LEU A 1 36 ? 10.371 0.032 4.961 1.00 97.26 36 A 1 ATOM 313 C CD1 . LEU A 1 36 ? 9.460 -0.340 6.123 1.00 96.76 36 A 1 ATOM 314 C CD2 . LEU A 1 36 ? 9.939 -0.761 3.725 1.00 96.62 36 A 1 ATOM 315 N N . LEU A 1 37 ? 10.189 4.085 2.738 1.00 97.36 37 A 1 ATOM 316 C CA . LEU A 1 37 ? 9.753 5.472 2.730 1.00 97.11 37 A 1 ATOM 317 C C . LEU A 1 37 ? 8.269 5.489 3.089 1.00 97.32 37 A 1 ATOM 318 O O . LEU A 1 37 ? 7.479 4.804 2.443 1.00 96.73 37 A 1 ATOM 319 C CB . LEU A 1 37 ? 10.056 6.072 1.352 1.00 95.99 37 A 1 ATOM 320 C CG . LEU A 1 37 ? 9.749 7.575 1.246 1.00 89.74 37 A 1 ATOM 321 C CD1 . LEU A 1 37 ? 10.633 8.413 2.166 1.00 87.36 37 A 1 ATOM 322 C CD2 . LEU A 1 37 ? 10.023 8.022 -0.187 1.00 87.20 37 A 1 ATOM 323 N N . LEU A 1 38 ? 7.905 6.234 4.132 1.00 97.36 38 A 1 ATOM 324 C CA . LEU A 1 38 ? 6.529 6.323 4.612 1.00 97.13 38 A 1 ATOM 325 C C . LEU A 1 38 ? 5.923 7.644 4.171 1.00 96.47 38 A 1 ATOM 326 O O . LEU A 1 38 ? 6.612 8.664 4.156 1.00 95.15 38 A 1 ATOM 327 C CB . LEU A 1 38 ? 6.473 6.164 6.142 1.00 96.93 38 A 1 ATOM 328 C CG . LEU A 1 38 ? 6.526 4.706 6.644 1.00 95.12 38 A 1 ATOM 329 C CD1 . LEU A 1 38 ? 7.860 4.007 6.384 1.00 91.67 38 A 1 ATOM 330 C CD2 . LEU A 1 38 ? 6.276 4.677 8.151 1.00 90.68 38 A 1 ATOM 331 N N . ASN A 1 39 ? 4.630 7.629 3.837 1.00 96.70 39 A 1 ATOM 332 C CA . ASN A 1 39 ? 3.850 8.820 3.532 1.00 96.59 39 A 1 ATOM 333 C C . ASN A 1 39 ? 2.415 8.627 4.038 1.00 97.38 39 A 1 ATOM 334 O O . ASN A 1 39 ? 1.761 7.642 3.701 1.00 96.98 39 A 1 ATOM 335 C CB . ASN A 1 39 ? 3.931 9.074 2.022 1.00 94.21 39 A 1 ATOM 336 C CG . ASN A 1 39 ? 3.209 10.338 1.600 1.00 89.99 39 A 1 ATOM 337 O OD1 . ASN A 1 39 ? 2.072 10.561 1.922 1.00 78.83 39 A 1 ATOM 338 N ND2 . ASN A 1 39 ? 3.845 11.196 0.844 1.00 77.98 39 A 1 ATOM 339 N N . ASP A 1 40 ? 1.958 9.573 4.850 1.00 97.34 40 A 1 ATOM 340 C CA . ASP A 1 40 ? 0.615 9.618 5.430 1.00 97.31 40 A 1 ATOM 341 C C . ASP A 1 40 ? -0.275 10.690 4.789 1.00 97.11 40 A 1 ATOM 342 O O . ASP A 1 40 ? -1.369 10.975 5.279 1.00 95.38 40 A 1 ATOM 343 C CB . ASP A 1 40 ? 0.715 9.766 6.958 1.00 96.73 40 A 1 ATOM 344 C CG . ASP A 1 40 ? 1.358 11.062 7.459 1.00 96.07 40 A 1 ATOM 345 O OD1 . ASP A 1 40 ? 2.025 11.760 6.668 1.00 93.75 40 A 1 ATOM 346 O OD2 . ASP A 1 40 ? 1.229 11.313 8.683 1.00 92.18 40 A 1 ATOM 347 N N . THR A 1 41 ? 0.165 11.271 3.677 1.00 96.33 41 A 1 ATOM 348 C CA . THR A 1 41 ? -0.580 12.284 2.931 1.00 95.69 41 A 1 ATOM 349 C C . THR A 1 41 ? -1.361 11.664 1.770 1.00 96.13 41 A 1 ATOM 350 O O . THR A 1 41 ? -1.128 10.524 1.354 1.00 94.57 41 A 1 ATOM 351 C CB . THR A 1 41 ? 0.321 13.435 2.449 1.00 93.63 41 A 1 ATOM 352 O OG1 . THR A 1 41 ? 1.106 13.056 1.342 1.00 86.59 41 A 1 ATOM 353 C CG2 . THR A 1 41 ? 1.235 13.989 3.538 1.00 85.28 41 A 1 ATOM 354 N N . ASN A 1 42 ? -2.309 12.432 1.214 1.00 95.99 42 A 1 ATOM 355 C CA . ASN A 1 42 ? -3.037 12.015 0.025 1.00 96.38 42 A 1 ATOM 356 C C . ASN A 1 42 ? -2.098 11.969 -1.191 1.00 96.66 42 A 1 ATOM 357 O O . ASN A 1 42 ? -1.662 13.000 -1.697 1.00 95.93 42 A 1 ATOM 358 C CB . ASN A 1 42 ? -4.238 12.952 -0.185 1.00 95.42 42 A 1 ATOM 359 C CG . ASN A 1 42 ? -5.109 12.512 -1.352 1.00 94.82 42 A 1 ATOM 360 O OD1 . ASN A 1 42 ? -4.877 11.504 -1.995 1.00 92.31 42 A 1 ATOM 361 N ND2 . ASN A 1 42 ? -6.150 13.264 -1.649 1.00 91.03 42 A 1 ATOM 362 N N . ILE A 1 43 ? -1.823 10.766 -1.691 1.00 97.31 43 A 1 ATOM 363 C CA . ILE A 1 43 ? -0.945 10.547 -2.851 1.00 97.28 43 A 1 ATOM 364 C C . ILE A 1 43 ? -1.629 10.814 -4.200 1.00 97.59 43 A 1 ATOM 365 O O . ILE A 1 43 ? -0.939 10.912 -5.211 1.00 97.02 43 A 1 ATOM 366 C CB . ILE A 1 43 ? -0.329 9.133 -2.815 1.00 96.84 43 A 1 ATOM 367 C CG1 . ILE A 1 43 ? -1.391 8.013 -2.793 1.00 95.61 43 A 1 ATOM 368 C CG2 . ILE A 1 43 ? 0.639 9.030 -1.618 1.00 93.52 43 A 1 ATOM 369 C CD1 . ILE A 1 43 ? -0.811 6.612 -3.041 1.00 95.17 43 A 1 ATOM 370 N N . LEU A 1 44 ? -2.956 10.919 -4.221 1.00 97.50 44 A 1 ATOM 371 C CA . LEU A 1 44 ? -3.780 11.063 -5.426 1.00 97.56 44 A 1 ATOM 372 C C . LEU A 1 44 ? -4.834 12.173 -5.252 1.00 97.43 44 A 1 ATOM 373 O O . LEU A 1 44 ? -6.033 11.904 -5.353 1.00 96.28 44 A 1 ATOM 374 C CB . LEU A 1 44 ? -4.422 9.703 -5.758 1.00 97.23 44 A 1 ATOM 375 C CG . LEU A 1 44 ? -3.453 8.625 -6.274 1.00 96.69 44 A 1 ATOM 376 C CD1 . LEU A 1 44 ? -4.127 7.266 -6.233 1.00 95.60 44 A 1 ATOM 377 C CD2 . LEU A 1 44 ? -3.044 8.892 -7.723 1.00 95.80 44 A 1 ATOM 378 N N . PRO A 1 45 ? -4.430 13.434 -4.972 1.00 97.10 45 A 1 ATOM 379 C CA . PRO A 1 45 ? -5.392 14.524 -4.865 1.00 96.47 45 A 1 ATOM 380 C C . PRO A 1 45 ? -6.131 14.693 -6.197 1.00 96.26 45 A 1 ATOM 381 O O . PRO A 1 45 ? -5.506 14.802 -7.252 1.00 94.11 45 A 1 ATOM 382 C CB . PRO A 1 45 ? -4.565 15.759 -4.483 1.00 95.64 45 A 1 ATOM 383 C CG . PRO A 1 45 ? -3.171 15.449 -5.039 1.00 94.07 45 A 1 ATOM 384 C CD . PRO A 1 45 ? -3.071 13.935 -4.868 1.00 96.72 45 A 1 ATOM 385 N N . GLY A 1 46 ? -7.463 14.666 -6.154 1.00 95.82 46 A 1 ATOM 386 C CA . GLY A 1 46 ? -8.291 14.693 -7.365 1.00 95.10 46 A 1 ATOM 387 C C . GLY A 1 46 ? -8.138 13.456 -8.273 1.00 95.80 46 A 1 ATOM 388 O O . GLY A 1 46 ? -8.391 13.536 -9.469 1.00 93.21 46 A 1 ATOM 389 N N . ALA A 1 47 ? -7.693 12.337 -7.707 1.00 95.40 47 A 1 ATOM 390 C CA . ALA A 1 47 ? -7.306 11.112 -8.419 1.00 95.77 47 A 1 ATOM 391 C C . ALA A 1 47 ? -6.093 11.263 -9.363 1.00 96.35 47 A 1 ATOM 392 O O . ALA A 1 47 ? -5.809 10.351 -10.141 1.00 94.97 47 A 1 ATOM 393 C CB . ALA A 1 47 ? -8.532 10.463 -9.080 1.00 94.69 47 A 1 ATOM 394 N N . GLU A 1 48 ? -5.340 12.354 -9.245 1.00 97.33 48 A 1 ATOM 395 C CA . GLU A 1 48 ? -4.099 12.587 -9.981 1.00 97.36 48 A 1 ATOM 396 C C . GLU A 1 48 ? -2.875 12.377 -9.075 1.00 97.49 48 A 1 ATOM 397 O O . GLU A 1 48 ? -2.900 12.756 -7.902 1.00 96.87 48 A 1 ATOM 398 C CB . GLU A 1 48 ? -4.093 13.998 -10.588 1.00 96.61 48 A 1 ATOM 399 C CG . GLU A 1 48 ? -5.118 14.176 -11.723 1.00 92.18 48 A 1 ATOM 400 C CD . GLU A 1 48 ? -4.881 13.200 -12.892 1.00 89.68 48 A 1 ATOM 401 O OE1 . GLU A 1 48 ? -5.876 12.749 -13.499 1.00 82.19 48 A 1 ATOM 402 O OE2 . GLU A 1 48 ? -3.703 12.872 -13.159 1.00 83.73 48 A 1 ATOM 403 N N . PRO A 1 49 ? -1.777 11.804 -9.585 1.00 97.73 49 A 1 ATOM 404 C CA . PRO A 1 49 ? -0.575 11.595 -8.788 1.00 97.63 49 A 1 ATOM 405 C C . PRO A 1 49 ? -0.005 12.908 -8.240 1.00 97.64 49 A 1 ATOM 406 O O . PRO A 1 49 ? 0.321 13.823 -9.000 1.00 97.15 49 A 1 ATOM 407 C CB . PRO A 1 49 ? 0.416 10.888 -9.712 1.00 97.13 49 A 1 ATOM 408 C CG . PRO A 1 49 ? -0.470 10.228 -10.762 1.00 95.71 49 A 1 ATOM 409 C CD . PRO A 1 49 ? -1.617 11.221 -10.905 1.00 97.26 49 A 1 ATOM 410 N N . SER A 1 50 ? 0.195 12.987 -6.927 1.00 97.59 50 A 1 ATOM 411 C CA . SER A 1 50 ? 0.864 14.136 -6.321 1.00 97.37 50 A 1 ATOM 412 C C . SER A 1 50 ? 2.325 14.233 -6.785 1.00 97.41 50 A 1 ATOM 413 O O . SER A 1 50 ? 2.969 13.229 -7.112 1.00 97.19 50 A 1 ATOM 414 C CB . SER A 1 50 ? 0.763 14.095 -4.790 1.00 96.83 50 A 1 ATOM 415 O OG . SER A 1 50 ? 1.619 13.110 -4.242 1.00 95.26 50 A 1 ATOM 416 N N . ALA A 1 51 ? 2.882 15.444 -6.753 1.00 97.11 51 A 1 ATOM 417 C CA . ALA A 1 51 ? 4.303 15.643 -7.051 1.00 96.68 51 A 1 ATOM 418 C C . ALA A 1 51 ? 5.202 14.797 -6.131 1.00 96.37 51 A 1 ATOM 419 O O . ALA A 1 51 ? 6.185 14.203 -6.578 1.00 95.53 51 A 1 ATOM 420 C CB . ALA A 1 51 ? 4.617 17.135 -6.919 1.00 96.10 51 A 1 ATOM 421 N N . GLU A 1 52 ? 4.813 14.672 -4.863 1.00 96.14 52 A 1 ATOM 422 C CA . GLU A 1 52 ? 5.526 13.851 -3.889 1.00 95.34 52 A 1 ATOM 423 C C . GLU A 1 52 ? 5.480 12.359 -4.252 1.00 95.56 52 A 1 ATOM 424 O O . GLU A 1 52 ? 6.514 11.685 -4.207 1.00 94.78 52 A 1 ATOM 425 C CB . GLU A 1 52 ? 4.942 14.110 -2.495 1.00 93.51 52 A 1 ATOM 426 C CG . GLU A 1 52 ? 5.801 13.436 -1.425 1.00 81.38 52 A 1 ATOM 427 C CD . GLU A 1 52 ? 5.299 13.634 0.003 1.00 76.12 52 A 1 ATOM 428 O OE1 . GLU A 1 52 ? 6.014 13.148 0.912 1.00 70.43 52 A 1 ATOM 429 O OE2 . GLU A 1 52 ? 4.194 14.181 0.189 1.00 69.60 52 A 1 ATOM 430 N N . LEU A 1 53 ? 4.320 11.846 -4.674 1.00 96.53 53 A 1 ATOM 431 C CA . LEU A 1 53 ? 4.206 10.471 -5.155 1.00 96.84 53 A 1 ATOM 432 C C . LEU A 1 53 ? 5.121 10.242 -6.358 1.00 96.74 53 A 1 ATOM 433 O O . LEU A 1 53 ? 5.911 9.297 -6.345 1.00 96.33 53 A 1 ATOM 434 C CB . LEU A 1 53 ? 2.742 10.133 -5.487 1.00 96.87 53 A 1 ATOM 435 C CG . LEU A 1 53 ? 2.554 8.718 -6.079 1.00 96.59 53 A 1 ATOM 436 C CD1 . LEU A 1 53 ? 2.945 7.615 -5.096 1.00 95.76 53 A 1 ATOM 437 C CD2 . LEU A 1 53 ? 1.102 8.501 -6.490 1.00 95.58 53 A 1 ATOM 438 N N . LEU A 1 54 ? 5.067 11.114 -7.362 1.00 97.02 54 A 1 ATOM 439 C CA . LEU A 1 54 ? 5.881 10.996 -8.574 1.00 96.57 54 A 1 ATOM 440 C C . LEU A 1 54 ? 7.386 10.993 -8.265 1.00 95.77 54 A 1 ATOM 441 O O . LEU A 1 54 ? 8.128 10.146 -8.770 1.00 94.81 54 A 1 ATOM 442 C CB . LEU A 1 54 ? 5.530 12.141 -9.543 1.00 96.50 54 A 1 ATOM 443 C CG . LEU A 1 54 ? 4.123 12.060 -10.162 1.00 95.48 54 A 1 ATOM 444 C CD1 . LEU A 1 54 ? 3.857 13.321 -10.982 1.00 94.38 54 A 1 ATOM 445 C CD2 . LEU A 1 54 ? 3.973 10.847 -11.079 1.00 94.11 54 A 1 ATOM 446 N N . MET A 1 55 ? 7.831 11.891 -7.396 1.00 95.38 55 A 1 ATOM 447 C CA . MET A 1 55 ? 9.228 11.948 -6.964 1.00 94.44 55 A 1 ATOM 448 C C . MET A 1 55 ? 9.644 10.690 -6.196 1.00 94.12 55 A 1 ATOM 449 O O . MET A 1 55 ? 10.699 10.104 -6.462 1.00 92.85 55 A 1 ATOM 450 C CB . MET A 1 55 ? 9.443 13.185 -6.090 1.00 92.84 55 A 1 ATOM 451 C CG . MET A 1 55 ? 9.462 14.480 -6.908 1.00 80.51 55 A 1 ATOM 452 S SD . MET A 1 55 ? 9.674 15.993 -5.918 1.00 74.09 55 A 1 ATOM 453 C CE . MET A 1 55 ? 11.325 15.730 -5.225 1.00 64.74 55 A 1 ATOM 454 N N . ASN A 1 56 ? 8.813 10.249 -5.259 1.00 94.62 56 A 1 ATOM 455 C CA . ASN A 1 56 ? 9.169 9.172 -4.344 1.00 94.00 56 A 1 ATOM 456 C C . ASN A 1 56 ? 9.003 7.777 -4.952 1.00 94.69 56 A 1 ATOM 457 O O . ASN A 1 56 ? 9.830 6.899 -4.693 1.00 93.68 56 A 1 ATOM 458 C CB . ASN A 1 56 ? 8.373 9.363 -3.049 1.00 92.40 56 A 1 ATOM 459 C CG . ASN A 1 56 ? 8.907 10.521 -2.221 1.00 89.71 56 A 1 ATOM 460 O OD1 . ASN A 1 56 ? 10.093 10.813 -2.213 1.00 84.08 56 A 1 ATOM 461 N ND2 . ASN A 1 56 ? 8.057 11.162 -1.446 1.00 82.63 56 A 1 ATOM 462 N N . ILE A 1 57 ? 8.005 7.553 -5.805 1.00 94.92 57 A 1 ATOM 463 C CA . ILE A 1 57 ? 7.776 6.238 -6.427 1.00 94.55 57 A 1 ATOM 464 C C . ILE A 1 57 ? 8.939 5.829 -7.337 1.00 94.81 57 A 1 ATOM 465 O O . ILE A 1 57 ? 9.316 4.654 -7.384 1.00 93.95 57 A 1 ATOM 466 C CB . ILE A 1 57 ? 6.418 6.221 -7.172 1.00 93.02 57 A 1 ATOM 467 C CG1 . ILE A 1 57 ? 5.895 4.791 -7.415 1.00 81.59 57 A 1 ATOM 468 C CG2 . ILE A 1 57 ? 6.480 6.963 -8.526 1.00 80.17 57 A 1 ATOM 469 C CD1 . ILE A 1 57 ? 5.525 4.054 -6.131 1.00 74.09 57 A 1 ATOM 470 N N . SER A 1 58 ? 9.585 6.800 -7.988 1.00 94.84 58 A 1 ATOM 471 C CA . SER A 1 58 ? 10.771 6.559 -8.818 1.00 94.27 58 A 1 ATOM 472 C C . SER A 1 58 ? 11.951 6.005 -8.004 1.00 94.61 58 A 1 ATOM 473 O O . SER A 1 58 ? 12.732 5.185 -8.503 1.00 92.91 58 A 1 ATOM 474 C CB . SER A 1 58 ? 11.156 7.858 -9.540 1.00 92.77 58 A 1 ATOM 475 O OG . SER A 1 58 ? 11.779 8.761 -8.659 1.00 82.23 58 A 1 ATOM 476 N N . ARG A 1 59 ? 12.016 6.369 -6.721 1.00 95.64 59 A 1 ATOM 477 C CA . ARG A 1 59 ? 13.066 5.990 -5.760 1.00 95.86 59 A 1 ATOM 478 C C . ARG A 1 59 ? 12.779 4.669 -5.044 1.00 96.32 59 A 1 ATOM 479 O O . ARG A 1 59 ? 13.660 4.158 -4.355 1.00 95.41 59 A 1 ATOM 480 C CB . ARG A 1 59 ? 13.246 7.128 -4.746 1.00 94.63 59 A 1 ATOM 481 C CG . ARG A 1 59 ? 13.623 8.470 -5.412 1.00 91.35 59 A 1 ATOM 482 C CD . ARG A 1 59 ? 13.517 9.638 -4.428 1.00 87.37 59 A 1 ATOM 483 N NE . ARG A 1 59 ? 14.495 9.531 -3.331 1.00 80.01 59 A 1 ATOM 484 C CZ . ARG A 1 59 ? 14.444 10.196 -2.184 1.00 74.88 59 A 1 ATOM 485 N NH1 . ARG A 1 59 ? 13.470 11.013 -1.904 1.00 68.80 59 A 1 ATOM 486 N NH2 . ARG A 1 59 ? 15.390 10.065 -1.308 1.00 66.72 59 A 1 ATOM 487 N N . CYS A 1 60 ? 11.574 4.117 -5.197 1.00 96.42 60 A 1 ATOM 488 C CA . CYS A 1 60 ? 11.112 2.931 -4.483 1.00 96.36 60 A 1 ATOM 489 C C . CYS A 1 60 ? 10.903 1.744 -5.429 1.00 96.05 60 A 1 ATOM 490 O O . CYS A 1 60 ? 10.417 1.893 -6.548 1.00 95.08 60 A 1 ATOM 491 C CB . CYS A 1 60 ? 9.831 3.278 -3.713 1.00 95.93 60 A 1 ATOM 492 S SG . CYS A 1 60 ? 10.193 4.528 -2.442 1.00 92.68 60 A 1 ATOM 493 N N . GLN A 1 61 ? 11.246 0.525 -4.990 1.00 96.16 61 A 1 ATOM 494 C CA . GLN A 1 61 ? 11.070 -0.679 -5.815 1.00 95.70 61 A 1 ATOM 495 C C . GLN A 1 61 ? 9.634 -1.205 -5.813 1.00 95.75 61 A 1 ATOM 496 O O . GLN A 1 61 ? 9.214 -1.828 -6.792 1.00 94.83 61 A 1 ATOM 497 C CB . GLN A 1 61 ? 12.024 -1.788 -5.362 1.00 95.01 61 A 1 ATOM 498 C CG . GLN A 1 61 ? 13.501 -1.398 -5.484 1.00 92.13 61 A 1 ATOM 499 C CD . GLN A 1 61 ? 14.413 -2.611 -5.323 1.00 87.06 61 A 1 ATOM 500 O OE1 . GLN A 1 61 ? 14.158 -3.667 -5.876 1.00 77.24 61 A 1 ATOM 501 N NE2 . GLN A 1 61 ? 15.489 -2.499 -4.581 1.00 74.41 61 A 1 ATOM 502 N N . ARG A 1 62 ? 8.898 -0.963 -4.725 1.00 96.58 62 A 1 ATOM 503 C CA . ARG A 1 62 ? 7.500 -1.377 -4.543 1.00 96.98 62 A 1 ATOM 504 C C . ARG A 1 62 ? 6.678 -0.224 -3.986 1.00 97.36 62 A 1 ATOM 505 O O . ARG A 1 62 ? 7.210 0.619 -3.267 1.00 96.77 62 A 1 ATOM 506 C CB . ARG A 1 62 ? 7.428 -2.586 -3.587 1.00 96.36 62 A 1 ATOM 507 C CG . ARG A 1 62 ? 8.157 -3.844 -4.087 1.00 94.02 62 A 1 ATOM 508 C CD . ARG A 1 62 ? 7.487 -4.449 -5.325 1.00 91.72 62 A 1 ATOM 509 N NE . ARG A 1 62 ? 8.216 -5.638 -5.794 1.00 89.77 62 A 1 ATOM 510 C CZ . ARG A 1 62 ? 9.191 -5.673 -6.693 1.00 87.33 62 A 1 ATOM 511 N NH1 . ARG A 1 62 ? 9.599 -4.603 -7.311 1.00 80.29 62 A 1 ATOM 512 N NH2 . ARG A 1 62 ? 9.770 -6.801 -6.974 1.00 83.46 62 A 1 ATOM 513 N N . LEU A 1 63 ? 5.388 -0.236 -4.277 1.00 97.58 63 A 1 ATOM 514 C CA . LEU A 1 63 ? 4.387 0.564 -3.582 1.00 97.91 63 A 1 ATOM 515 C C . LEU A 1 63 ? 3.571 -0.372 -2.695 1.00 98.11 63 A 1 ATOM 516 O O . LEU A 1 63 ? 3.073 -1.387 -3.181 1.00 97.98 63 A 1 ATOM 517 C CB . LEU A 1 63 ? 3.523 1.302 -4.615 1.00 97.80 63 A 1 ATOM 518 C CG . LEU A 1 63 ? 2.323 2.062 -4.018 1.00 97.30 63 A 1 ATOM 519 C CD1 . LEU A 1 63 ? 2.753 3.200 -3.097 1.00 96.66 63 A 1 ATOM 520 C CD2 . LEU A 1 63 ? 1.481 2.653 -5.149 1.00 96.40 63 A 1 ATOM 521 N N . ILE A 1 64 ? 3.442 -0.018 -1.424 1.00 98.28 64 A 1 ATOM 522 C CA . ILE A 1 64 ? 2.538 -0.660 -0.469 1.00 98.48 64 A 1 ATOM 523 C C . ILE A 1 64 ? 1.488 0.373 -0.079 1.00 98.50 64 A 1 ATOM 524 O O . ILE A 1 64 ? 1.838 1.469 0.345 1.00 98.31 64 A 1 ATOM 525 C CB . ILE A 1 64 ? 3.300 -1.197 0.762 1.00 98.49 64 A 1 ATOM 526 C CG1 . ILE A 1 64 ? 4.396 -2.207 0.348 1.00 98.22 64 A 1 ATOM 527 C CG2 . ILE A 1 64 ? 2.308 -1.835 1.755 1.00 98.16 64 A 1 ATOM 528 C CD1 . ILE A 1 64 ? 5.267 -2.710 1.510 1.00 97.81 64 A 1 ATOM 529 N N . VAL A 1 65 ? 0.219 0.024 -0.188 1.00 98.45 65 A 1 ATOM 530 C CA . VAL A 1 65 ? -0.903 0.856 0.252 1.00 98.48 65 A 1 ATOM 531 C C . VAL A 1 65 ? -1.626 0.119 1.370 1.00 98.49 65 A 1 ATOM 532 O O . VAL A 1 65 ? -2.073 -1.010 1.182 1.00 98.27 65 A 1 ATOM 533 C CB . VAL A 1 65 ? -1.846 1.189 -0.917 1.00 98.35 65 A 1 ATOM 534 C CG1 . VAL A 1 65 ? -3.009 2.065 -0.463 1.00 97.89 65 A 1 ATOM 535 C CG2 . VAL A 1 65 ? -1.105 1.929 -2.042 1.00 97.95 65 A 1 ATOM 536 N N . VAL A 1 66 ? -1.740 0.748 2.533 1.00 98.47 66 A 1 ATOM 537 C CA . VAL A 1 66 ? -2.541 0.226 3.647 1.00 98.54 66 A 1 ATOM 538 C C . VAL A 1 66 ? -3.993 0.629 3.409 1.00 98.39 66 A 1 ATOM 539 O O . VAL A 1 66 ? -4.430 1.704 3.813 1.00 98.04 66 A 1 ATOM 540 C CB . VAL A 1 66 ? -2.005 0.705 5.009 1.00 98.55 66 A 1 ATOM 541 C CG1 . VAL A 1 66 ? -2.809 0.094 6.159 1.00 98.25 66 A 1 ATOM 542 C CG2 . VAL A 1 66 ? -0.538 0.285 5.192 1.00 98.35 66 A 1 ATOM 543 N N . LEU A 1 67 ? -4.724 -0.224 2.728 1.00 97.95 67 A 1 ATOM 544 C CA . LEU A 1 67 ? -6.070 0.034 2.225 1.00 97.61 67 A 1 ATOM 545 C C . LEU A 1 67 ? -7.126 -0.226 3.314 1.00 97.35 67 A 1 ATOM 546 O O . LEU A 1 67 ? -7.966 -1.126 3.206 1.00 96.43 67 A 1 ATOM 547 C CB . LEU A 1 67 ? -6.264 -0.785 0.932 1.00 97.08 67 A 1 ATOM 548 C CG . LEU A 1 67 ? -7.390 -0.253 0.027 1.00 95.24 67 A 1 ATOM 549 C CD1 . LEU A 1 67 ? -6.963 1.031 -0.692 1.00 93.34 67 A 1 ATOM 550 C CD2 . LEU A 1 67 ? -7.729 -1.296 -1.040 1.00 93.44 67 A 1 ATOM 551 N N . SER A 1 68 ? -7.043 0.541 4.392 1.00 97.65 68 A 1 ATOM 552 C CA . SER A 1 68 ? -8.018 0.517 5.479 1.00 97.61 68 A 1 ATOM 553 C C . SER A 1 68 ? -9.344 1.152 5.061 1.00 97.34 68 A 1 ATOM 554 O O . SER A 1 68 ? -9.438 1.809 4.024 1.00 97.05 68 A 1 ATOM 555 C CB . SER A 1 68 ? -7.447 1.251 6.693 1.00 97.56 68 A 1 ATOM 556 O OG . SER A 1 68 ? -7.303 2.628 6.427 1.00 97.05 68 A 1 ATOM 557 N N . GLN A 1 69 ? -10.365 1.012 5.904 1.00 96.44 69 A 1 ATOM 558 C CA . GLN A 1 69 ? -11.618 1.747 5.722 1.00 95.80 69 A 1 ATOM 559 C C . GLN A 1 69 ? -11.360 3.259 5.666 1.00 96.24 69 A 1 ATOM 560 O O . GLN A 1 69 ? -11.788 3.910 4.719 1.00 95.69 69 A 1 ATOM 561 C CB . GLN A 1 69 ? -12.584 1.386 6.855 1.00 94.09 69 A 1 ATOM 562 C CG . GLN A 1 69 ? -13.936 2.092 6.656 1.00 80.42 69 A 1 ATOM 563 C CD . GLN A 1 69 ? -14.904 1.867 7.815 1.00 71.78 69 A 1 ATOM 564 O OE1 . GLN A 1 69 ? -14.626 1.189 8.795 1.00 64.95 69 A 1 ATOM 565 N NE2 . GLN A 1 69 ? -16.088 2.431 7.736 1.00 60.55 69 A 1 ATOM 566 N N . SER A 1 70 ? -10.586 3.801 6.604 1.00 96.68 70 A 1 ATOM 567 C CA . SER A 1 70 ? -10.264 5.235 6.628 1.00 96.70 70 A 1 ATOM 568 C C . SER A 1 70 ? -9.429 5.680 5.425 1.00 97.12 70 A 1 ATOM 569 O O . SER A 1 70 ? -9.528 6.822 4.993 1.00 96.72 70 A 1 ATOM 570 C CB . SER A 1 70 ? -9.513 5.588 7.909 1.00 96.09 70 A 1 ATOM 571 O OG . SER A 1 70 ? -10.226 5.149 9.051 1.00 85.79 70 A 1 ATOM 572 N N . TYR A 1 71 ? -8.616 4.798 4.846 1.00 97.24 71 A 1 ATOM 573 C CA . TYR A 1 71 ? -7.927 5.093 3.588 1.00 97.68 71 A 1 ATOM 574 C C . TYR A 1 71 ? -8.921 5.246 2.435 1.00 97.45 71 A 1 ATOM 575 O O . TYR A 1 71 ? -8.802 6.161 1.625 1.00 96.80 71 A 1 ATOM 576 C CB . TYR A 1 71 ? -6.898 4.003 3.281 1.00 97.80 71 A 1 ATOM 577 C CG . TYR A 1 71 ? -5.902 4.391 2.205 1.00 98.18 71 A 1 ATOM 578 C CD1 . TYR A 1 71 ? -6.244 4.335 0.840 1.00 97.81 71 A 1 ATOM 579 C CD2 . TYR A 1 71 ? -4.618 4.851 2.576 1.00 97.76 71 A 1 ATOM 580 C CE1 . TYR A 1 71 ? -5.332 4.755 -0.146 1.00 97.52 71 A 1 ATOM 581 C CE2 . TYR A 1 71 ? -3.699 5.265 1.601 1.00 97.44 71 A 1 ATOM 582 C CZ . TYR A 1 71 ? -4.067 5.231 0.242 1.00 97.73 71 A 1 ATOM 583 O OH . TYR A 1 71 ? -3.179 5.672 -0.708 1.00 97.28 71 A 1 ATOM 584 N N . LEU A 1 72 ? -9.923 4.370 2.392 1.00 97.17 72 A 1 ATOM 585 C CA . LEU A 1 72 ? -10.970 4.356 1.370 1.00 96.80 72 A 1 ATOM 586 C C . LEU A 1 72 ? -11.992 5.496 1.518 1.00 96.45 72 A 1 ATOM 587 O O . LEU A 1 72 ? -12.750 5.737 0.582 1.00 95.58 72 A 1 ATOM 588 C CB . LEU A 1 72 ? -11.668 2.990 1.399 1.00 96.35 72 A 1 ATOM 589 C CG . LEU A 1 72 ? -10.789 1.823 0.915 1.00 95.40 72 A 1 ATOM 590 C CD1 . LEU A 1 72 ? -11.517 0.502 1.155 1.00 94.63 72 A 1 ATOM 591 C CD2 . LEU A 1 72 ? -10.482 1.939 -0.580 1.00 94.54 72 A 1 ATOM 592 N N . GLU A 1 73 ? -11.993 6.196 2.643 1.00 96.58 73 A 1 ATOM 593 C CA . GLU A 1 73 ? -12.797 7.408 2.860 1.00 96.07 73 A 1 ATOM 594 C C . GLU A 1 73 ? -12.190 8.653 2.187 1.00 96.04 73 A 1 ATOM 595 O O . GLU A 1 73 ? -12.862 9.673 2.072 1.00 95.02 73 A 1 ATOM 596 C CB . GLU A 1 73 ? -12.975 7.644 4.369 1.00 95.31 73 A 1 ATOM 597 C CG . GLU A 1 73 ? -13.926 6.619 5.009 1.00 92.06 73 A 1 ATOM 598 C CD . GLU A 1 73 ? -13.887 6.607 6.550 1.00 87.10 73 A 1 ATOM 599 O OE1 . GLU A 1 73 ? -14.521 5.691 7.130 1.00 80.60 73 A 1 ATOM 600 O OE2 . GLU A 1 73 ? -13.193 7.456 7.156 1.00 81.26 73 A 1 ATOM 601 N N . GLN A 1 74 ? -10.940 8.589 1.717 1.00 96.41 74 A 1 ATOM 602 C CA . GLN A 1 74 ? -10.348 9.687 0.952 1.00 96.21 74 A 1 ATOM 603 C C . GLN A 1 74 ? -11.163 9.967 -0.313 1.00 96.19 74 A 1 ATOM 604 O O . GLN A 1 74 ? -11.635 9.050 -0.983 1.00 95.54 74 A 1 ATOM 605 C CB . GLN A 1 74 ? -8.894 9.371 0.571 1.00 95.74 74 A 1 ATOM 606 C CG . GLN A 1 74 ? -7.949 9.350 1.779 1.00 94.55 74 A 1 ATOM 607 C CD . GLN A 1 74 ? -6.537 8.966 1.343 1.00 95.09 74 A 1 ATOM 608 O OE1 . GLN A 1 74 ? -5.644 9.783 1.207 1.00 88.73 74 A 1 ATOM 609 N NE2 . GLN A 1 74 ? -6.307 7.700 1.075 1.00 88.01 74 A 1 ATOM 610 N N . GLU A 1 75 ? -11.255 11.250 -0.678 1.00 96.14 75 A 1 ATOM 611 C CA . GLU A 1 75 ? -12.099 11.715 -1.783 1.00 95.85 75 A 1 ATOM 612 C C . GLU A 1 75 ? -11.837 10.956 -3.093 1.00 95.86 75 A 1 ATOM 613 O O . GLU A 1 75 ? -12.774 10.503 -3.747 1.00 94.73 75 A 1 ATOM 614 C CB . GLU A 1 75 ? -11.868 13.221 -1.963 1.00 95.00 75 A 1 ATOM 615 C CG . GLU A 1 75 ? -12.795 13.838 -3.020 1.00 84.41 75 A 1 ATOM 616 C CD . GLU A 1 75 ? -12.524 15.335 -3.262 1.00 75.83 75 A 1 ATOM 617 O OE1 . GLU A 1 75 ? -13.295 15.932 -4.047 1.00 69.21 75 A 1 ATOM 618 O OE2 . GLU A 1 75 ? -11.539 15.863 -2.694 1.00 69.40 75 A 1 ATOM 619 N N . TRP A 1 76 ? -10.571 10.741 -3.465 1.00 95.88 76 A 1 ATOM 620 C CA . TRP A 1 76 ? -10.250 10.024 -4.700 1.00 96.08 76 A 1 ATOM 621 C C . TRP A 1 76 ? -10.740 8.568 -4.689 1.00 96.40 76 A 1 ATOM 622 O O . TRP A 1 76 ? -11.120 8.033 -5.729 1.00 95.52 76 A 1 ATOM 623 C CB . TRP A 1 76 ? -8.747 10.105 -4.975 1.00 95.54 76 A 1 ATOM 624 C CG . TRP A 1 76 ? -7.880 9.183 -4.173 1.00 96.09 76 A 1 ATOM 625 C CD1 . TRP A 1 76 ? -7.228 9.498 -3.034 1.00 94.54 76 A 1 ATOM 626 C CD2 . TRP A 1 76 ? -7.548 7.785 -4.459 1.00 96.70 76 A 1 ATOM 627 N NE1 . TRP A 1 76 ? -6.501 8.393 -2.588 1.00 94.19 76 A 1 ATOM 628 C CE2 . TRP A 1 76 ? -6.671 7.325 -3.439 1.00 96.08 76 A 1 ATOM 629 C CE3 . TRP A 1 76 ? -7.892 6.883 -5.486 1.00 95.36 76 A 1 ATOM 630 C CZ2 . TRP A 1 76 ? -6.151 6.007 -3.434 1.00 95.22 76 A 1 ATOM 631 C CZ3 . TRP A 1 76 ? -7.378 5.570 -5.476 1.00 95.04 76 A 1 ATOM 632 C CH2 . TRP A 1 76 ? -6.516 5.140 -4.463 1.00 95.07 76 A 1 ATOM 633 N N . CYS A 1 77 ? -10.775 7.939 -3.517 1.00 96.35 77 A 1 ATOM 634 C CA . CYS A 1 77 ? -11.280 6.575 -3.368 1.00 96.15 77 A 1 ATOM 635 C C . CYS A 1 77 ? -12.808 6.514 -3.485 1.00 95.67 77 A 1 ATOM 636 O O . CYS A 1 77 ? -13.343 5.560 -4.045 1.00 94.96 77 A 1 ATOM 637 C CB . CYS A 1 77 ? -10.840 6.007 -2.012 1.00 96.23 77 A 1 ATOM 638 S SG . CYS A 1 77 ? -9.032 5.799 -1.915 1.00 95.78 77 A 1 ATOM 639 N N . THR A 1 78 ? -13.506 7.515 -2.960 1.00 95.94 78 A 1 ATOM 640 C CA . THR A 1 78 ? -14.973 7.547 -2.962 1.00 95.21 78 A 1 ATOM 641 C C . THR A 1 78 ? -15.555 8.031 -4.290 1.00 94.81 78 A 1 ATOM 642 O O . THR A 1 78 ? -16.640 7.592 -4.664 1.00 92.99 78 A 1 ATOM 643 C CB . THR A 1 78 ? -15.517 8.409 -1.814 1.00 94.53 78 A 1 ATOM 644 O OG1 . THR A 1 78 ? -15.021 9.723 -1.887 1.00 90.94 78 A 1 ATOM 645 C CG2 . THR A 1 78 ? -15.127 7.854 -0.442 1.00 90.34 78 A 1 ATOM 646 N N . THR A 1 79 ? -14.843 8.899 -5.008 1.00 95.72 79 A 1 ATOM 647 C CA . THR A 1 79 ? -15.344 9.547 -6.231 1.00 94.83 79 A 1 ATOM 648 C C . THR A 1 79 ? -14.750 8.973 -7.515 1.00 94.64 79 A 1 ATOM 649 O O . THR A 1 79 ? -15.456 8.866 -8.517 1.00 92.41 79 A 1 ATOM 650 C CB . THR A 1 79 ? -15.099 11.062 -6.199 1.00 93.68 79 A 1 ATOM 651 O OG1 . THR A 1 79 ? -13.717 11.335 -6.116 1.00 89.09 79 A 1 ATOM 652 C CG2 . THR A 1 79 ? -15.793 11.743 -5.022 1.00 86.70 79 A 1 ATOM 653 N N . ASN A 1 80 ? -13.466 8.590 -7.513 1.00 95.68 80 A 1 ATOM 654 C CA . ASN A 1 80 ? -12.759 8.206 -8.738 1.00 95.67 80 A 1 ATOM 655 C C . ASN A 1 80 ? -11.697 7.114 -8.517 1.00 96.44 80 A 1 ATOM 656 O O . ASN A 1 80 ? -10.587 7.159 -9.052 1.00 95.31 80 A 1 ATOM 657 C CB . ASN A 1 80 ? -12.212 9.478 -9.409 1.00 92.93 80 A 1 ATOM 658 C CG . ASN A 1 80 ? -12.016 9.306 -10.903 1.00 83.52 80 A 1 ATOM 659 O OD1 . ASN A 1 80 ? -12.169 8.236 -11.475 1.00 75.13 80 A 1 ATOM 660 N ND2 . ASN A 1 80 ? -11.700 10.383 -11.590 1.00 73.76 80 A 1 ATOM 661 N N . PHE A 1 81 ? -12.054 6.092 -7.747 1.00 96.08 81 A 1 ATOM 662 C CA . PHE A 1 81 ? -11.137 5.000 -7.402 1.00 96.49 81 A 1 ATOM 663 C C . PHE A 1 81 ? -10.524 4.316 -8.630 1.00 96.67 81 A 1 ATOM 664 O O . PHE A 1 81 ? -9.348 3.965 -8.611 1.00 96.61 81 A 1 ATOM 665 C CB . PHE A 1 81 ? -11.869 3.967 -6.543 1.00 96.28 81 A 1 ATOM 666 C CG . PHE A 1 81 ? -10.960 2.869 -6.031 1.00 96.54 81 A 1 ATOM 667 C CD1 . PHE A 1 81 ? -10.917 1.613 -6.665 1.00 96.02 81 A 1 ATOM 668 C CD2 . PHE A 1 81 ? -10.114 3.117 -4.932 1.00 95.95 81 A 1 ATOM 669 C CE1 . PHE A 1 81 ? -10.042 0.614 -6.203 1.00 95.40 81 A 1 ATOM 670 C CE2 . PHE A 1 81 ? -9.239 2.121 -4.469 1.00 95.23 81 A 1 ATOM 671 C CZ . PHE A 1 81 ? -9.204 0.872 -5.106 1.00 95.51 81 A 1 ATOM 672 N N . ARG A 1 82 ? -11.289 4.174 -9.710 1.00 96.22 82 A 1 ATOM 673 C CA . ARG A 1 82 ? -10.811 3.542 -10.946 1.00 96.16 82 A 1 ATOM 674 C C . ARG A 1 82 ? -9.605 4.275 -11.540 1.00 96.38 82 A 1 ATOM 675 O O . ARG A 1 82 ? -8.619 3.624 -11.883 1.00 96.19 82 A 1 ATOM 676 C CB . ARG A 1 82 ? -11.966 3.465 -11.952 1.00 95.22 82 A 1 ATOM 677 C CG . ARG A 1 82 ? -11.561 2.717 -13.229 1.00 87.84 82 A 1 ATOM 678 C CD . ARG A 1 82 ? -12.724 2.644 -14.222 1.00 82.98 82 A 1 ATOM 679 N NE . ARG A 1 82 ? -13.845 1.848 -13.688 1.00 71.74 82 A 1 ATOM 680 C CZ . ARG A 1 82 ? -15.067 1.763 -14.187 1.00 63.83 82 A 1 ATOM 681 N NH1 . ARG A 1 82 ? -15.394 2.375 -15.294 1.00 57.56 82 A 1 ATOM 682 N NH2 . ARG A 1 82 ? -15.975 1.056 -13.562 1.00 54.92 82 A 1 ATOM 683 N N . GLN A 1 83 ? -9.687 5.602 -11.651 1.00 96.71 83 A 1 ATOM 684 C CA . GLN A 1 83 ? -8.601 6.417 -12.189 1.00 96.92 83 A 1 ATOM 685 C C . GLN A 1 83 ? -7.382 6.376 -11.261 1.00 97.25 83 A 1 ATOM 686 O O . GLN A 1 83 ? -6.272 6.102 -11.720 1.00 97.20 83 A 1 ATOM 687 C CB . GLN A 1 83 ? -9.110 7.847 -12.409 1.00 96.31 83 A 1 ATOM 688 C CG . GLN A 1 83 ? -8.035 8.789 -12.990 1.00 87.59 83 A 1 ATOM 689 C CD . GLN A 1 83 ? -8.589 10.184 -13.305 1.00 80.63 83 A 1 ATOM 690 O OE1 . GLN A 1 83 ? -9.789 10.414 -13.306 1.00 73.83 83 A 1 ATOM 691 N NE2 . GLN A 1 83 ? -7.750 11.146 -13.589 1.00 68.44 83 A 1 ATOM 692 N N . GLY A 1 84 ? -7.591 6.557 -9.967 1.00 97.59 84 A 1 ATOM 693 C CA . GLY A 1 84 ? -6.509 6.467 -8.987 1.00 97.60 84 A 1 ATOM 694 C C . GLY A 1 84 ? -5.802 5.107 -9.013 1.00 97.77 84 A 1 ATOM 695 O O . GLY A 1 84 ? -4.575 5.041 -9.084 1.00 97.58 84 A 1 ATOM 696 N N . LEU A 1 85 ? -6.561 4.014 -9.042 1.00 97.40 85 A 1 ATOM 697 C CA . LEU A 1 85 ? -6.005 2.661 -9.133 1.00 97.34 85 A 1 ATOM 698 C C . LEU A 1 85 ? -5.189 2.464 -10.419 1.00 97.29 85 A 1 ATOM 699 O O . LEU A 1 85 ? -4.111 1.867 -10.374 1.00 97.14 85 A 1 ATOM 700 C CB . LEU A 1 85 ? -7.154 1.645 -9.026 1.00 97.07 85 A 1 ATOM 701 C CG . LEU A 1 85 ? -6.701 0.174 -9.122 1.00 96.33 85 A 1 ATOM 702 C CD1 . LEU A 1 85 ? -5.718 -0.205 -8.013 1.00 95.53 85 A 1 ATOM 703 C CD2 . LEU A 1 85 ? -7.920 -0.740 -9.008 1.00 95.34 85 A 1 ATOM 704 N N . TRP A 1 86 ? -5.687 2.984 -11.544 1.00 96.92 86 A 1 ATOM 705 C CA . TRP A 1 86 ? -4.975 2.912 -12.816 1.00 96.58 86 A 1 ATOM 706 C C . TRP A 1 86 ? -3.617 3.630 -12.747 1.00 96.81 86 A 1 ATOM 707 O O . TRP A 1 86 ? -2.601 3.018 -13.081 1.00 96.41 86 A 1 ATOM 708 C CB . TRP A 1 86 ? -5.872 3.465 -13.925 1.00 95.51 86 A 1 ATOM 709 C CG . TRP A 1 86 ? -5.282 3.312 -15.289 1.00 83.80 86 A 1 ATOM 710 C CD1 . TRP A 1 86 ? -5.357 2.199 -16.055 1.00 70.78 86 A 1 ATOM 711 C CD2 . TRP A 1 86 ? -4.482 4.276 -16.043 1.00 76.41 86 A 1 ATOM 712 N NE1 . TRP A 1 86 ? -4.659 2.402 -17.245 1.00 63.15 86 A 1 ATOM 713 C CE2 . TRP A 1 86 ? -4.103 3.664 -17.266 1.00 71.14 86 A 1 ATOM 714 C CE3 . TRP A 1 86 ? -4.045 5.596 -15.797 1.00 60.55 86 A 1 ATOM 715 C CZ2 . TRP A 1 86 ? -3.310 4.339 -18.223 1.00 61.97 86 A 1 ATOM 716 C CZ3 . TRP A 1 86 ? -3.250 6.265 -16.750 1.00 55.85 86 A 1 ATOM 717 C CH2 . TRP A 1 86 ? -2.891 5.637 -17.945 1.00 57.71 86 A 1 ATOM 718 N N . HIS A 1 87 ? -3.577 4.845 -12.190 1.00 97.38 87 A 1 ATOM 719 C CA . HIS A 1 87 ? -2.318 5.566 -11.965 1.00 97.51 87 A 1 ATOM 720 C C . HIS A 1 87 ? -1.347 4.787 -11.066 1.00 97.52 87 A 1 ATOM 721 O O . HIS A 1 87 ? -0.158 4.671 -11.372 1.00 97.22 87 A 1 ATOM 722 C CB . HIS A 1 87 ? -2.614 6.937 -11.344 1.00 97.56 87 A 1 ATOM 723 C CG . HIS A 1 87 ? -3.173 7.932 -12.320 1.00 96.92 87 A 1 ATOM 724 N ND1 . HIS A 1 87 ? -2.583 8.312 -13.519 1.00 87.94 87 A 1 ATOM 725 C CD2 . HIS A 1 87 ? -4.307 8.681 -12.154 1.00 88.83 87 A 1 ATOM 726 C CE1 . HIS A 1 87 ? -3.349 9.272 -14.054 1.00 91.68 87 A 1 ATOM 727 N NE2 . HIS A 1 87 ? -4.400 9.521 -13.254 1.00 92.58 87 A 1 ATOM 728 N N . LEU A 1 88 ? -1.826 4.184 -9.981 1.00 97.69 88 A 1 ATOM 729 C CA . LEU A 1 88 ? -0.966 3.392 -9.094 1.00 97.68 88 A 1 ATOM 730 C C . LEU A 1 88 ? -0.373 2.166 -9.808 1.00 97.39 88 A 1 ATOM 731 O O . LEU A 1 88 ? 0.800 1.849 -9.604 1.00 96.85 88 A 1 ATOM 732 C CB . LEU A 1 88 ? -1.732 2.962 -7.834 1.00 97.74 88 A 1 ATOM 733 C CG . LEU A 1 88 ? -2.176 4.102 -6.898 1.00 97.42 88 A 1 ATOM 734 C CD1 . LEU A 1 88 ? -2.806 3.499 -5.646 1.00 97.15 88 A 1 ATOM 735 C CD2 . LEU A 1 88 ? -1.025 5.021 -6.479 1.00 96.99 88 A 1 ATOM 736 N N . ILE A 1 89 ? -1.154 1.496 -10.647 1.00 97.45 89 A 1 ATOM 737 C CA . ILE A 1 89 ? -0.688 0.353 -11.441 1.00 97.11 89 A 1 ATOM 738 C C . ILE A 1 89 ? 0.370 0.793 -12.461 1.00 96.52 89 A 1 ATOM 739 O O . ILE A 1 89 ? 1.414 0.146 -12.579 1.00 95.58 89 A 1 ATOM 740 C CB . ILE A 1 89 ? -1.885 -0.360 -12.111 1.00 97.09 89 A 1 ATOM 741 C CG1 . ILE A 1 89 ? -2.726 -1.083 -11.036 1.00 96.49 89 A 1 ATOM 742 C CG2 . ILE A 1 89 ? -1.415 -1.369 -13.179 1.00 96.32 89 A 1 ATOM 743 C CD1 . ILE A 1 89 ? -4.103 -1.539 -11.533 1.00 95.18 89 A 1 ATOM 744 N N . GLU A 1 90 ? 0.127 1.898 -13.157 1.00 96.85 90 A 1 ATOM 745 C CA . GLU A 1 90 ? 1.060 2.437 -14.146 1.00 96.18 90 A 1 ATOM 746 C C . GLU A 1 90 ? 2.407 2.820 -13.508 1.00 95.85 90 A 1 ATOM 747 O O . GLU A 1 90 ? 3.475 2.391 -13.964 1.00 94.55 90 A 1 ATOM 748 C CB . GLU A 1 90 ? 0.400 3.641 -14.846 1.00 95.02 90 A 1 ATOM 749 C CG . GLU A 1 90 ? 1.284 4.166 -15.983 1.00 78.96 90 A 1 ATOM 750 C CD . GLU A 1 90 ? 0.675 5.357 -16.738 1.00 73.39 90 A 1 ATOM 751 O OE1 . GLU A 1 90 ? 1.003 5.490 -17.938 1.00 67.40 90 A 1 ATOM 752 O OE2 . GLU A 1 90 ? -0.091 6.125 -16.119 1.00 67.84 90 A 1 ATOM 753 N N . LEU A 1 91 ? 2.362 3.559 -12.397 1.00 96.40 91 A 1 ATOM 754 C CA . LEU A 1 91 ? 3.554 4.089 -11.731 1.00 95.70 91 A 1 ATOM 755 C C . LEU A 1 91 ? 4.393 3.015 -11.024 1.00 94.71 91 A 1 ATOM 756 O O . LEU A 1 91 ? 5.624 3.080 -11.016 1.00 92.72 91 A 1 ATOM 757 C CB . LEU A 1 91 ? 3.111 5.167 -10.727 1.00 95.65 91 A 1 ATOM 758 C CG . LEU A 1 91 ? 2.548 6.454 -11.363 1.00 95.05 91 A 1 ATOM 759 C CD1 . LEU A 1 91 ? 1.962 7.332 -10.262 1.00 93.78 91 A 1 ATOM 760 C CD2 . LEU A 1 91 ? 3.630 7.248 -12.094 1.00 93.49 91 A 1 ATOM 761 N N . SER A 1 92 ? 3.746 2.028 -10.391 1.00 95.00 92 A 1 ATOM 762 C CA . SER A 1 92 ? 4.440 1.071 -9.514 1.00 93.22 92 A 1 ATOM 763 C C . SER A 1 92 ? 4.687 -0.303 -10.130 1.00 91.48 92 A 1 ATOM 764 O O . SER A 1 92 ? 5.522 -1.051 -9.620 1.00 85.64 92 A 1 ATOM 765 C CB . SER A 1 92 ? 3.683 0.929 -8.195 1.00 90.98 92 A 1 ATOM 766 O OG . SER A 1 92 ? 2.483 0.231 -8.397 1.00 79.24 92 A 1 ATOM 767 N N . ARG A 1 93 ? 4.003 -0.656 -11.210 1.00 87.39 93 A 1 ATOM 768 C CA . ARG A 1 93 ? 4.029 -1.992 -11.827 1.00 86.38 93 A 1 ATOM 769 C C . ARG A 1 93 ? 3.756 -3.109 -10.809 1.00 86.92 93 A 1 ATOM 770 O O . ARG A 1 93 ? 4.655 -3.858 -10.425 1.00 80.34 93 A 1 ATOM 771 C CB . ARG A 1 93 ? 5.353 -2.229 -12.575 1.00 80.70 93 A 1 ATOM 772 C CG . ARG A 1 93 ? 5.647 -1.203 -13.673 1.00 70.91 93 A 1 ATOM 773 C CD . ARG A 1 93 ? 6.963 -1.572 -14.353 1.00 68.51 93 A 1 ATOM 774 N NE . ARG A 1 93 ? 7.296 -0.637 -15.436 1.00 59.61 93 A 1 ATOM 775 C CZ . ARG A 1 93 ? 8.312 -0.745 -16.280 1.00 53.54 93 A 1 ATOM 776 N NH1 . ARG A 1 93 ? 9.170 -1.729 -16.204 1.00 49.56 93 A 1 ATOM 777 N NH2 . ARG A 1 93 ? 8.481 0.146 -17.219 1.00 45.39 93 A 1 ATOM 778 N N . LYS A 1 94 ? 2.509 -3.250 -10.430 1.00 92.97 94 A 1 ATOM 779 C CA . LYS A 1 94 ? 1.999 -4.210 -9.441 1.00 94.59 94 A 1 ATOM 780 C C . LYS A 1 94 ? 2.102 -3.695 -7.993 1.00 95.92 94 A 1 ATOM 781 O O . LYS A 1 94 ? 2.893 -4.217 -7.203 1.00 95.21 94 A 1 ATOM 782 C CB . LYS A 1 94 ? 2.608 -5.607 -9.674 1.00 92.59 94 A 1 ATOM 783 C CG . LYS A 1 94 ? 1.807 -6.715 -8.992 1.00 88.79 94 A 1 ATOM 784 C CD . LYS A 1 94 ? 2.348 -8.088 -9.392 1.00 86.86 94 A 1 ATOM 785 C CE . LYS A 1 94 ? 1.401 -9.144 -8.815 1.00 82.15 94 A 1 ATOM 786 N NZ . LYS A 1 94 ? 1.705 -10.502 -9.319 1.00 73.77 94 A 1 ATOM 787 N N . PRO A 1 95 ? 1.279 -2.690 -7.632 1.00 97.27 95 A 1 ATOM 788 C CA . PRO A 1 95 ? 1.163 -2.212 -6.260 1.00 97.56 95 A 1 ATOM 789 C C . PRO A 1 95 ? 0.673 -3.317 -5.319 1.00 97.85 95 A 1 ATOM 790 O O . PRO A 1 95 ? -0.067 -4.226 -5.712 1.00 97.51 95 A 1 ATOM 791 C CB . PRO A 1 95 ? 0.190 -1.030 -6.309 1.00 96.98 95 A 1 ATOM 792 C CG . PRO A 1 95 ? -0.673 -1.325 -7.531 1.00 94.59 95 A 1 ATOM 793 C CD . PRO A 1 95 ? 0.302 -2.013 -8.479 1.00 97.01 95 A 1 ATOM 794 N N . ILE A 1 96 ? 1.098 -3.218 -4.071 1.00 97.98 96 A 1 ATOM 795 C CA . ILE A 1 96 ? 0.731 -4.123 -2.986 1.00 98.13 96 A 1 ATOM 796 C C . ILE A 1 96 ? -0.324 -3.422 -2.133 1.00 98.21 96 A 1 ATOM 797 O O . ILE A 1 96 ? -0.046 -2.378 -1.549 1.00 98.10 96 A 1 ATOM 798 C CB . ILE A 1 96 ? 1.974 -4.509 -2.157 1.00 98.09 96 A 1 ATOM 799 C CG1 . ILE A 1 96 ? 3.072 -5.166 -3.028 1.00 97.62 96 A 1 ATOM 800 C CG2 . ILE A 1 96 ? 1.570 -5.453 -1.007 1.00 97.64 96 A 1 ATOM 801 C CD1 . ILE A 1 96 ? 4.451 -5.189 -2.354 1.00 96.72 96 A 1 ATOM 802 N N . PHE A 1 97 ? -1.504 -4.000 -2.020 1.00 97.95 97 A 1 ATOM 803 C CA . PHE A 1 97 ? -2.577 -3.513 -1.163 1.00 97.97 97 A 1 ATOM 804 C C . PHE A 1 97 ? -2.700 -4.407 0.064 1.00 97.82 97 A 1 ATOM 805 O O . PHE A 1 97 ? -2.943 -5.607 -0.058 1.00 97.32 97 A 1 ATOM 806 C CB . PHE A 1 97 ? -3.881 -3.437 -1.957 1.00 97.82 97 A 1 ATOM 807 C CG . PHE A 1 97 ? -3.840 -2.417 -3.074 1.00 97.74 97 A 1 ATOM 808 C CD1 . PHE A 1 97 ? -3.978 -1.048 -2.789 1.00 96.67 97 A 1 ATOM 809 C CD2 . PHE A 1 97 ? -3.641 -2.822 -4.408 1.00 96.58 97 A 1 ATOM 810 C CE1 . PHE A 1 97 ? -3.928 -0.093 -3.819 1.00 95.80 97 A 1 ATOM 811 C CE2 . PHE A 1 97 ? -3.588 -1.871 -5.440 1.00 95.68 97 A 1 ATOM 812 C CZ . PHE A 1 97 ? -3.733 -0.503 -5.144 1.00 96.26 97 A 1 ATOM 813 N N . ILE A 1 98 ? -2.545 -3.816 1.240 1.00 98.10 98 A 1 ATOM 814 C CA . ILE A 1 98 ? -2.830 -4.486 2.508 1.00 98.22 98 A 1 ATOM 815 C C . ILE A 1 98 ? -4.253 -4.118 2.912 1.00 98.02 98 A 1 ATOM 816 O O . ILE A 1 98 ? -4.565 -2.941 3.064 1.00 97.75 98 A 1 ATOM 817 C CB . ILE A 1 98 ? -1.794 -4.121 3.590 1.00 98.40 98 A 1 ATOM 818 C CG1 . ILE A 1 98 ? -0.383 -4.580 3.151 1.00 98.16 98 A 1 ATOM 819 C CG2 . ILE A 1 98 ? -2.194 -4.755 4.936 1.00 98.27 98 A 1 ATOM 820 C CD1 . ILE A 1 98 ? 0.746 -4.121 4.084 1.00 97.85 98 A 1 ATOM 821 N N . ILE A 1 99 ? -5.094 -5.115 3.117 1.00 97.35 99 A 1 ATOM 822 C CA . ILE A 1 99 ? -6.457 -4.945 3.622 1.00 97.13 99 A 1 ATOM 823 C C . ILE A 1 99 ? -6.575 -5.573 5.008 1.00 97.42 99 A 1 ATOM 824 O O . ILE A 1 99 ? -5.960 -6.604 5.290 1.00 97.15 99 A 1 ATOM 825 C CB . ILE A 1 99 ? -7.510 -5.493 2.629 1.00 95.97 99 A 1 ATOM 826 C CG1 . ILE A 1 99 ? -7.338 -7.001 2.351 1.00 86.32 99 A 1 ATOM 827 C CG2 . ILE A 1 99 ? -7.479 -4.673 1.329 1.00 81.77 99 A 1 ATOM 828 C CD1 . ILE A 1 99 ? -8.460 -7.614 1.507 1.00 76.70 99 A 1 ATOM 829 N N . PHE A 1 100 ? -7.392 -4.979 5.882 1.00 97.40 100 A 1 ATOM 830 C CA . PHE A 1 100 ? -7.693 -5.569 7.181 1.00 97.41 100 A 1 ATOM 831 C C . PHE A 1 100 ? -8.890 -6.509 7.063 1.00 96.82 100 A 1 ATOM 832 O O . PHE A 1 100 ? -9.960 -6.102 6.625 1.00 95.81 100 A 1 ATOM 833 C CB . PHE A 1 100 ? -7.925 -4.470 8.218 1.00 97.41 100 A 1 ATOM 834 C CG . PHE A 1 100 ? -6.705 -3.612 8.475 1.00 97.73 100 A 1 ATOM 835 C CD1 . PHE A 1 100 ? -5.572 -4.162 9.100 1.00 96.93 100 A 1 ATOM 836 C CD2 . PHE A 1 100 ? -6.692 -2.260 8.093 1.00 96.92 100 A 1 ATOM 837 C CE1 . PHE A 1 100 ? -4.437 -3.368 9.343 1.00 96.59 100 A 1 ATOM 838 C CE2 . PHE A 1 100 ? -5.563 -1.460 8.336 1.00 96.61 100 A 1 ATOM 839 C CZ . PHE A 1 100 ? -4.434 -2.017 8.963 1.00 96.92 100 A 1 ATOM 840 N N . GLN A 1 101 ? -8.735 -7.748 7.507 1.00 96.37 101 A 1 ATOM 841 C CA . GLN A 1 101 ? -9.810 -8.750 7.458 1.00 95.87 101 A 1 ATOM 842 C C . GLN A 1 101 ? -11.070 -8.282 8.200 1.00 95.25 101 A 1 ATOM 843 O O . GLN A 1 101 ? -12.185 -8.522 7.739 1.00 94.24 101 A 1 ATOM 844 C CB . GLN A 1 101 ? -9.280 -10.059 8.053 1.00 95.16 101 A 1 ATOM 845 C CG . GLN A 1 101 ? -10.281 -11.214 7.894 1.00 88.48 101 A 1 ATOM 846 C CD . GLN A 1 101 ? -9.768 -12.522 8.500 1.00 84.26 101 A 1 ATOM 847 O OE1 . GLN A 1 101 ? -8.791 -12.579 9.225 1.00 76.42 101 A 1 ATOM 848 N NE2 . GLN A 1 101 ? -10.429 -13.625 8.231 1.00 73.65 101 A 1 ATOM 849 N N . SER A 1 102 ? -10.898 -7.571 9.322 1.00 95.32 102 A 1 ATOM 850 C CA . SER A 1 102 ? -11.997 -7.001 10.109 1.00 94.66 102 A 1 ATOM 851 C C . SER A 1 102 ? -12.791 -5.927 9.361 1.00 94.59 102 A 1 ATOM 852 O O . SER A 1 102 ? -13.954 -5.710 9.678 1.00 93.03 102 A 1 ATOM 853 C CB . SER A 1 102 ? -11.445 -6.404 11.409 1.00 94.00 102 A 1 ATOM 854 O OG . SER A 1 102 ? -10.409 -5.478 11.135 1.00 90.36 102 A 1 ATOM 855 N N . GLN A 1 103 ? -12.182 -5.281 8.369 1.00 94.36 103 A 1 ATOM 856 C CA . GLN A 1 103 ? -12.769 -4.188 7.588 1.00 93.62 103 A 1 ATOM 857 C C . GLN A 1 103 ? -13.167 -4.625 6.171 1.00 93.06 103 A 1 ATOM 858 O O . GLN A 1 103 ? -13.811 -3.871 5.452 1.00 91.02 103 A 1 ATOM 859 C CB . GLN A 1 103 ? -11.779 -3.015 7.537 1.00 92.33 103 A 1 ATOM 860 C CG . GLN A 1 103 ? -11.434 -2.449 8.923 1.00 91.13 103 A 1 ATOM 861 C CD . GLN A 1 103 ? -10.399 -1.325 8.861 1.00 92.03 103 A 1 ATOM 862 O OE1 . GLN A 1 103 ? -9.917 -0.936 7.813 1.00 88.15 103 A 1 ATOM 863 N NE2 . GLN A 1 103 ? -10.002 -0.775 9.989 1.00 88.26 103 A 1 ATOM 864 N N . GLN A 1 104 ? -12.827 -5.841 5.761 1.00 90.81 104 A 1 ATOM 865 C CA . GLN A 1 104 ? -13.027 -6.304 4.384 1.00 89.17 104 A 1 ATOM 866 C C . GLN A 1 104 ? -14.485 -6.191 3.912 1.00 89.23 104 A 1 ATOM 867 O O . GLN A 1 104 ? -14.737 -5.862 2.752 1.00 87.37 104 A 1 ATOM 868 C CB . GLN A 1 104 ? -12.524 -7.745 4.280 1.00 85.77 104 A 1 ATOM 869 C CG . GLN A 1 104 ? -12.529 -8.257 2.831 1.00 77.41 104 A 1 ATOM 870 C CD . GLN A 1 104 ? -11.955 -9.667 2.697 1.00 74.36 104 A 1 ATOM 871 O OE1 . GLN A 1 104 ? -11.650 -10.352 3.655 1.00 67.92 104 A 1 ATOM 872 N NE2 . GLN A 1 104 ? -11.791 -10.154 1.488 1.00 64.61 104 A 1 ATOM 873 N N . LYS A 1 105 ? -15.451 -6.426 4.803 1.00 91.02 105 A 1 ATOM 874 C CA . LYS A 1 105 ? -16.889 -6.308 4.500 1.00 91.17 105 A 1 ATOM 875 C C . LYS A 1 105 ? -17.366 -4.859 4.335 1.00 91.76 105 A 1 ATOM 876 O O . LYS A 1 105 ? -18.458 -4.655 3.829 1.00 89.40 105 A 1 ATOM 877 C CB . LYS A 1 105 ? -17.718 -7.004 5.589 1.00 89.78 105 A 1 ATOM 878 C CG . LYS A 1 105 ? -17.512 -8.526 5.612 1.00 81.72 105 A 1 ATOM 879 C CD . LYS A 1 105 ? -18.463 -9.153 6.636 1.00 74.86 105 A 1 ATOM 880 C CE . LYS A 1 105 ? -18.300 -10.673 6.666 1.00 64.66 105 A 1 ATOM 881 N NZ . LYS A 1 105 ? -19.234 -11.301 7.640 1.00 55.25 105 A 1 ATOM 882 N N . GLN A 1 106 ? -16.581 -3.885 4.786 1.00 90.39 106 A 1 ATOM 883 C CA . GLN A 1 106 ? -16.899 -2.456 4.688 1.00 90.43 106 A 1 ATOM 884 C C . GLN A 1 106 ? -16.408 -1.856 3.364 1.00 91.41 106 A 1 ATOM 885 O O . GLN A 1 106 ? -16.840 -0.774 2.983 1.00 89.73 106 A 1 ATOM 886 C CB . GLN A 1 106 ? -16.281 -1.713 5.885 1.00 88.26 106 A 1 ATOM 887 C CG . GLN A 1 106 ? -16.832 -2.190 7.239 1.00 80.56 106 A 1 ATOM 888 C CD . GLN A 1 106 ? -15.987 -1.723 8.426 1.00 73.96 106 A 1 ATOM 889 O OE1 . GLN A 1 106 ? -14.822 -1.417 8.314 1.00 66.02 106 A 1 ATOM 890 N NE2 . GLN A 1 106 ? -16.529 -1.696 9.624 1.00 63.39 106 A 1 ATOM 891 N N . ILE A 1 107 ? -15.533 -2.555 2.642 1.00 90.52 107 A 1 ATOM 892 C CA . ILE A 1 107 ? -15.112 -2.153 1.299 1.00 90.64 107 A 1 ATOM 893 C C . ILE A 1 107 ? -16.330 -2.233 0.372 1.00 91.02 107 A 1 ATOM 894 O O . ILE A 1 107 ? -16.993 -3.269 0.300 1.00 90.24 107 A 1 ATOM 895 C CB . ILE A 1 107 ? -13.934 -3.010 0.790 1.00 89.90 107 A 1 ATOM 896 C CG1 . ILE A 1 107 ? -12.759 -2.989 1.794 1.00 87.08 107 A 1 ATOM 897 C CG2 . ILE A 1 107 ? -13.476 -2.499 -0.590 1.00 87.39 107 A 1 ATOM 898 C CD1 . ILE A 1 107 ? -11.546 -3.829 1.381 1.00 84.08 107 A 1 ATOM 899 N N . SER A 1 108 ? -16.604 -1.147 -0.352 1.00 92.55 108 A 1 ATOM 900 C CA . SER A 1 108 ? -17.741 -1.093 -1.266 1.00 92.39 108 A 1 ATOM 901 C C . SER A 1 108 ? -17.650 -2.195 -2.328 1.00 93.02 108 A 1 ATOM 902 O O . SER A 1 108 ? -16.568 -2.675 -2.689 1.00 92.48 108 A 1 ATOM 903 C CB . SER A 1 108 ? -17.878 0.301 -1.903 1.00 90.74 108 A 1 ATOM 904 O OG . SER A 1 108 ? -16.939 0.481 -2.943 1.00 86.59 108 A 1 ATOM 905 N N . GLN A 1 109 ? -18.800 -2.614 -2.847 1.00 92.88 109 A 1 ATOM 906 C CA . GLN A 1 109 ? -18.836 -3.622 -3.909 1.00 93.19 109 A 1 ATOM 907 C C . GLN A 1 109 ? -18.102 -3.144 -5.165 1.00 93.89 109 A 1 ATOM 908 O O . GLN A 1 109 ? -17.377 -3.933 -5.773 1.00 93.40 109 A 1 ATOM 909 C CB . GLN A 1 109 ? -20.284 -3.978 -4.254 1.00 92.36 109 A 1 ATOM 910 C CG . GLN A 1 109 ? -20.973 -4.778 -3.135 1.00 81.09 109 A 1 ATOM 911 C CD . GLN A 1 109 ? -22.375 -5.243 -3.542 1.00 73.45 109 A 1 ATOM 912 O OE1 . GLN A 1 109 ? -22.925 -4.868 -4.562 1.00 66.52 109 A 1 ATOM 913 N NE2 . GLN A 1 109 ? -23.004 -6.091 -2.760 1.00 63.19 109 A 1 ATOM 914 N N . ASP A 1 110 ? -18.234 -1.865 -5.506 1.00 93.58 110 A 1 ATOM 915 C CA . ASP A 1 110 ? -17.576 -1.270 -6.668 1.00 93.48 110 A 1 ATOM 916 C C . ASP A 1 110 ? -16.044 -1.310 -6.533 1.00 94.48 110 A 1 ATOM 917 O O . ASP A 1 110 ? -15.361 -1.904 -7.372 1.00 93.99 110 A 1 ATOM 918 C CB . ASP A 1 110 ? -18.100 0.159 -6.878 1.00 91.90 110 A 1 ATOM 919 C CG . ASP A 1 110 ? -17.486 0.766 -8.141 1.00 77.99 110 A 1 ATOM 920 O OD1 . ASP A 1 110 ? -17.715 0.189 -9.227 1.00 70.80 110 A 1 ATOM 921 O OD2 . ASP A 1 110 ? -16.731 1.748 -8.010 1.00 69.34 110 A 1 ATOM 922 N N . ILE A 1 111 ? -15.496 -0.815 -5.419 1.00 94.29 111 A 1 ATOM 923 C CA . ILE A 1 111 ? -14.051 -0.877 -5.141 1.00 94.72 111 A 1 ATOM 924 C C . ILE A 1 111 ? -13.559 -2.329 -5.134 1.00 94.97 111 A 1 ATOM 925 O O . ILE A 1 111 ? -12.557 -2.668 -5.766 1.00 94.81 111 A 1 ATOM 926 C CB . ILE A 1 111 ? -13.726 -0.160 -3.809 1.00 94.72 111 A 1 ATOM 927 C CG1 . ILE A 1 111 ? -13.933 1.362 -3.981 1.00 93.68 111 A 1 ATOM 928 C CG2 . ILE A 1 111 ? -12.290 -0.471 -3.343 1.00 93.80 111 A 1 ATOM 929 C CD1 . ILE A 1 111 ? -13.777 2.179 -2.698 1.00 90.27 111 A 1 ATOM 930 N N . SER A 1 112 ? -14.291 -3.221 -4.468 1.00 93.92 112 A 1 ATOM 931 C CA . SER A 1 112 ? -13.948 -4.645 -4.433 1.00 93.19 112 A 1 ATOM 932 C C . SER A 1 112 ? -13.931 -5.276 -5.827 1.00 93.74 112 A 1 ATOM 933 O O . SER A 1 112 ? -13.102 -6.143 -6.110 1.00 93.48 112 A 1 ATOM 934 C CB . SER A 1 112 ? -14.953 -5.412 -3.570 1.00 91.61 112 A 1 ATOM 935 O OG . SER A 1 112 ? -14.908 -4.993 -2.228 1.00 78.30 112 A 1 ATOM 936 N N . GLN A 1 113 ? -14.852 -4.875 -6.695 1.00 93.97 113 A 1 ATOM 937 C CA . GLN A 1 113 ? -14.909 -5.345 -8.073 1.00 94.13 113 A 1 ATOM 938 C C . GLN A 1 113 ? -13.742 -4.799 -8.894 1.00 94.54 113 A 1 ATOM 939 O O . GLN A 1 113 ? -13.090 -5.578 -9.592 1.00 94.54 113 A 1 ATOM 940 C CB . GLN A 1 113 ? -16.267 -4.990 -8.677 1.00 93.80 113 A 1 ATOM 941 C CG . GLN A 1 113 ? -16.408 -5.508 -10.119 1.00 80.95 113 A 1 ATOM 942 C CD . GLN A 1 113 ? -17.812 -5.291 -10.691 1.00 75.05 113 A 1 ATOM 943 O OE1 . GLN A 1 113 ? -18.724 -4.850 -10.029 1.00 67.90 113 A 1 ATOM 944 N NE2 . GLN A 1 113 ? -18.031 -5.619 -11.944 1.00 63.37 113 A 1 ATOM 945 N N . GLN A 1 114 ? -13.424 -3.514 -8.770 1.00 94.84 114 A 1 ATOM 946 C CA . GLN A 1 114 ? -12.294 -2.895 -9.466 1.00 94.95 114 A 1 ATOM 947 C C . GLN A 1 114 ? -10.960 -3.552 -9.071 1.00 95.09 114 A 1 ATOM 948 O O . GLN A 1 114 ? -10.183 -3.938 -9.944 1.00 94.57 114 A 1 ATOM 949 C CB . GLN A 1 114 ? -12.276 -1.387 -9.178 1.00 94.86 114 A 1 ATOM 950 C CG . GLN A 1 114 ? -13.474 -0.661 -9.817 1.00 90.56 114 A 1 ATOM 951 C CD . GLN A 1 114 ? -13.384 0.846 -9.614 1.00 85.99 114 A 1 ATOM 952 O OE1 . GLN A 1 114 ? -12.356 1.440 -9.870 1.00 75.76 114 A 1 ATOM 953 N NE2 . GLN A 1 114 ? -14.426 1.511 -9.183 1.00 73.15 114 A 1 ATOM 954 N N . LEU A 1 115 ? -10.732 -3.785 -7.786 1.00 95.26 115 A 1 ATOM 955 C CA . LEU A 1 115 ? -9.545 -4.502 -7.309 1.00 94.81 115 A 1 ATOM 956 C C . LEU A 1 115 ? -9.447 -5.913 -7.911 1.00 94.55 115 A 1 ATOM 957 O O . LEU A 1 115 ? -8.371 -6.320 -8.346 1.00 93.95 115 A 1 ATOM 958 C CB . LEU A 1 115 ? -9.569 -4.571 -5.772 1.00 94.99 115 A 1 ATOM 959 C CG . LEU A 1 115 ? -9.340 -3.227 -5.056 1.00 94.66 115 A 1 ATOM 960 C CD1 . LEU A 1 115 ? -9.624 -3.395 -3.566 1.00 93.87 115 A 1 ATOM 961 C CD2 . LEU A 1 115 ? -7.908 -2.721 -5.212 1.00 93.71 115 A 1 ATOM 962 N N . ARG A 1 116 ? -10.562 -6.652 -7.985 1.00 93.89 116 A 1 ATOM 963 C CA . ARG A 1 116 ? -10.585 -7.985 -8.613 1.00 93.02 116 A 1 ATOM 964 C C . ARG A 1 116 ? -10.320 -7.931 -10.119 1.00 93.24 116 A 1 ATOM 965 O O . ARG A 1 116 ? -9.597 -8.785 -10.618 1.00 92.47 116 A 1 ATOM 966 C CB . ARG A 1 116 ? -11.918 -8.689 -8.351 1.00 91.67 116 A 1 ATOM 967 C CG . ARG A 1 116 ? -12.027 -9.227 -6.914 1.00 79.48 116 A 1 ATOM 968 C CD . ARG A 1 116 ? -13.306 -10.054 -6.734 1.00 76.98 116 A 1 ATOM 969 N NE . ARG A 1 116 ? -14.530 -9.255 -6.927 1.00 66.84 116 A 1 ATOM 970 C CZ . ARG A 1 116 ? -15.334 -8.768 -5.992 1.00 59.43 116 A 1 ATOM 971 N NH1 . ARG A 1 116 ? -15.102 -8.950 -4.721 1.00 54.46 116 A 1 ATOM 972 N NH2 . ARG A 1 116 ? -16.402 -8.089 -6.320 1.00 52.47 116 A 1 ATOM 973 N N . GLN A 1 117 ? -10.878 -6.946 -10.818 1.00 93.98 117 A 1 ATOM 974 C CA . GLN A 1 117 ? -10.702 -6.799 -12.268 1.00 93.92 117 A 1 ATOM 975 C C . GLN A 1 117 ? -9.242 -6.541 -12.667 1.00 93.87 117 A 1 ATOM 976 O O . GLN A 1 117 ? -8.824 -6.945 -13.750 1.00 92.72 117 A 1 ATOM 977 C CB . GLN A 1 117 ? -11.574 -5.649 -12.774 1.00 93.14 117 A 1 ATOM 978 C CG . GLN A 1 117 ? -13.054 -6.044 -12.895 1.00 82.16 117 A 1 ATOM 979 C CD . GLN A 1 117 ? -13.948 -4.858 -13.267 1.00 78.92 117 A 1 ATOM 980 O OE1 . GLN A 1 117 ? -13.571 -3.706 -13.203 1.00 72.45 117 A 1 ATOM 981 N NE2 . GLN A 1 117 ? -15.173 -5.103 -13.674 1.00 69.13 117 A 1 ATOM 982 N N . HIS A 1 118 ? -8.466 -5.913 -11.788 1.00 94.79 118 A 1 ATOM 983 C CA . HIS A 1 118 ? -7.051 -5.631 -12.036 1.00 94.55 118 A 1 ATOM 984 C C . HIS A 1 118 ? -6.094 -6.754 -11.607 1.00 94.69 118 A 1 ATOM 985 O O . HIS A 1 118 ? -4.876 -6.614 -11.764 1.00 92.99 118 A 1 ATOM 986 C CB . HIS A 1 118 ? -6.701 -4.272 -11.434 1.00 93.89 118 A 1 ATOM 987 C CG . HIS A 1 118 ? -7.245 -3.134 -12.251 1.00 92.35 118 A 1 ATOM 988 N ND1 . HIS A 1 118 ? -6.805 -2.760 -13.504 1.00 81.07 118 A 1 ATOM 989 C CD2 . HIS A 1 118 ? -8.271 -2.283 -11.922 1.00 81.20 118 A 1 ATOM 990 C CE1 . HIS A 1 118 ? -7.538 -1.712 -13.909 1.00 82.68 118 A 1 ATOM 991 N NE2 . HIS A 1 118 ? -8.440 -1.390 -12.975 1.00 84.84 118 A 1 ATOM 992 N N . GLN A 1 119 ? -6.584 -7.885 -11.103 1.00 91.55 119 A 1 ATOM 993 C CA . GLN A 1 119 ? -5.725 -9.052 -10.913 1.00 89.36 119 A 1 ATOM 994 C C . GLN A 1 119 ? -5.317 -9.628 -12.282 1.00 89.44 119 A 1 ATOM 995 O O . GLN A 1 119 ? -6.163 -9.763 -13.159 1.00 87.18 119 A 1 ATOM 996 C CB . GLN A 1 119 ? -6.410 -10.111 -10.046 1.00 85.99 119 A 1 ATOM 997 C CG . GLN A 1 119 ? -6.528 -9.660 -8.585 1.00 73.35 119 A 1 ATOM 998 C CD . GLN A 1 119 ? -7.034 -10.767 -7.664 1.00 67.74 119 A 1 ATOM 999 O OE1 . GLN A 1 119 ? -7.560 -11.784 -8.072 1.00 60.66 119 A 1 ATOM 1000 N NE2 . GLN A 1 119 ? -6.888 -10.607 -6.367 1.00 57.55 119 A 1 ATOM 1001 N N . PRO A 1 120 ? -4.042 -9.950 -12.547 1.00 87.22 120 A 1 ATOM 1002 C CA . PRO A 1 120 ? -2.907 -10.013 -11.620 1.00 87.57 120 A 1 ATOM 1003 C C . PRO A 1 120 ? -2.048 -8.737 -11.540 1.00 89.94 120 A 1 ATOM 1004 O O . PRO A 1 120 ? -0.905 -8.804 -11.078 1.00 87.89 120 A 1 ATOM 1005 C CB . PRO A 1 120 ? -2.101 -11.199 -12.146 1.00 83.97 120 A 1 ATOM 1006 C CG . PRO A 1 120 ? -2.247 -11.048 -13.656 1.00 81.19 120 A 1 ATOM 1007 C CD . PRO A 1 120 ? -3.688 -10.562 -13.808 1.00 83.90 120 A 1 ATOM 1008 N N . SER A 1 121 ? -2.553 -7.581 -11.976 1.00 94.88 121 A 1 ATOM 1009 C CA . SER A 1 121 ? -1.800 -6.316 -12.009 1.00 96.06 121 A 1 ATOM 1010 C C . SER A 1 121 ? -1.532 -5.714 -10.628 1.00 96.79 121 A 1 ATOM 1011 O O . SER A 1 121 ? -0.720 -4.796 -10.502 1.00 95.94 121 A 1 ATOM 1012 C CB . SER A 1 121 ? -2.528 -5.279 -12.874 1.00 94.99 121 A 1 ATOM 1013 O OG . SER A 1 121 ? -2.757 -5.803 -14.165 1.00 87.70 121 A 1 ATOM 1014 N N . ILE A 1 122 ? -2.178 -6.247 -9.596 1.00 97.50 122 A 1 ATOM 1015 C CA . ILE A 1 122 ? -1.986 -5.863 -8.195 1.00 97.48 122 A 1 ATOM 1016 C C . ILE A 1 122 ? -1.629 -7.080 -7.337 1.00 97.26 122 A 1 ATOM 1017 O O . ILE A 1 122 ? -1.758 -8.231 -7.756 1.00 96.49 122 A 1 ATOM 1018 C CB . ILE A 1 122 ? -3.219 -5.099 -7.657 1.00 97.21 122 A 1 ATOM 1019 C CG1 . ILE A 1 122 ? -4.462 -6.006 -7.566 1.00 96.04 122 A 1 ATOM 1020 C CG2 . ILE A 1 122 ? -3.482 -3.850 -8.520 1.00 95.08 122 A 1 ATOM 1021 C CD1 . ILE A 1 122 ? -5.690 -5.314 -6.964 1.00 94.73 122 A 1 ATOM 1022 N N . THR A 1 123 ? -1.160 -6.840 -6.124 1.00 97.02 123 A 1 ATOM 1023 C CA . THR A 1 123 ? -1.037 -7.867 -5.086 1.00 96.96 123 A 1 ATOM 1024 C C . THR A 1 123 ? -1.894 -7.451 -3.904 1.00 97.20 123 A 1 ATOM 1025 O O . THR A 1 123 ? -1.698 -6.370 -3.373 1.00 96.88 123 A 1 ATOM 1026 C CB . THR A 1 123 ? 0.423 -8.057 -4.664 1.00 96.38 123 A 1 ATOM 1027 O OG1 . THR A 1 123 ? 1.189 -8.446 -5.787 1.00 93.74 123 A 1 ATOM 1028 C CG2 . THR A 1 123 ? 0.590 -9.150 -3.614 1.00 93.96 123 A 1 ATOM 1029 N N . MET A 1 124 ? -2.826 -8.290 -3.481 1.00 96.29 124 A 1 ATOM 1030 C CA . MET A 1 124 ? -3.630 -8.054 -2.283 1.00 95.97 124 A 1 ATOM 1031 C C . MET A 1 124 ? -3.201 -9.019 -1.189 1.00 96.22 124 A 1 ATOM 1032 O O . MET A 1 124 ? -3.121 -10.220 -1.433 1.00 95.59 124 A 1 ATOM 1033 C CB . MET A 1 124 ? -5.121 -8.201 -2.590 1.00 94.74 124 A 1 ATOM 1034 C CG . MET A 1 124 ? -5.628 -7.083 -3.505 1.00 86.00 124 A 1 ATOM 1035 S SD . MET A 1 124 ? -7.399 -7.155 -3.883 1.00 79.50 124 A 1 ATOM 1036 C CE . MET A 1 124 ? -8.110 -6.899 -2.236 1.00 68.41 124 A 1 ATOM 1037 N N . ILE A 1 125 ? -2.940 -8.485 0.010 1.00 96.80 125 A 1 ATOM 1038 C CA . ILE A 1 125 ? -2.559 -9.287 1.173 1.00 97.09 125 A 1 ATOM 1039 C C . ILE A 1 125 ? -3.473 -8.900 2.334 1.00 97.10 125 A 1 ATOM 1040 O O . ILE A 1 125 ? -3.642 -7.723 2.637 1.00 96.94 125 A 1 ATOM 1041 C CB . ILE A 1 125 ? -1.067 -9.113 1.536 1.00 97.23 125 A 1 ATOM 1042 C CG1 . ILE A 1 125 ? -0.151 -9.241 0.295 1.00 95.25 125 A 1 ATOM 1043 C CG2 . ILE A 1 125 ? -0.690 -10.174 2.587 1.00 93.77 125 A 1 ATOM 1044 C CD1 . ILE A 1 125 ? 1.340 -9.061 0.593 1.00 94.50 125 A 1 ATOM 1045 N N . THR A 1 126 ? -4.058 -9.885 2.997 1.00 97.03 126 A 1 ATOM 1046 C CA . THR A 1 126 ? -4.995 -9.648 4.095 1.00 97.16 126 A 1 ATOM 1047 C C . THR A 1 126 ? -4.290 -9.756 5.441 1.00 97.65 126 A 1 ATOM 1048 O O . THR A 1 126 ? -3.715 -10.794 5.778 1.00 97.59 126 A 1 ATOM 1049 C CB . THR A 1 126 ? -6.197 -10.593 4.016 1.00 96.22 126 A 1 ATOM 1050 O OG1 . THR A 1 126 ? -6.812 -10.483 2.751 1.00 91.75 126 A 1 ATOM 1051 C CG2 . THR A 1 126 ? -7.265 -10.248 5.054 1.00 91.69 126 A 1 ATOM 1052 N N . TRP A 1 127 ? -4.369 -8.690 6.239 1.00 97.78 127 A 1 ATOM 1053 C CA . TRP A 1 127 ? -3.981 -8.690 7.642 1.00 97.98 127 A 1 ATOM 1054 C C . TRP A 1 127 ? -5.156 -9.143 8.507 1.00 97.83 127 A 1 ATOM 1055 O O . TRP A 1 127 ? -6.202 -8.494 8.557 1.00 97.37 127 A 1 ATOM 1056 C CB . TRP A 1 127 ? -3.486 -7.305 8.057 1.00 98.03 127 A 1 ATOM 1057 C CG . TRP A 1 127 ? -3.058 -7.243 9.491 1.00 98.15 127 A 1 ATOM 1058 C CD1 . TRP A 1 127 ? -3.836 -6.876 10.534 1.00 97.64 127 A 1 ATOM 1059 C CD2 . TRP A 1 127 ? -1.765 -7.619 10.058 1.00 98.03 127 A 1 ATOM 1060 N NE1 . TRP A 1 127 ? -3.110 -6.986 11.717 1.00 97.37 127 A 1 ATOM 1061 C CE2 . TRP A 1 127 ? -1.836 -7.442 11.465 1.00 97.75 127 A 1 ATOM 1062 C CE3 . TRP A 1 127 ? -0.555 -8.088 9.513 1.00 97.65 127 A 1 ATOM 1063 C CZ2 . TRP A 1 127 ? -0.740 -7.730 12.312 1.00 97.32 127 A 1 ATOM 1064 C CZ3 . TRP A 1 127 ? 0.538 -8.368 10.355 1.00 97.16 127 A 1 ATOM 1065 C CH2 . TRP A 1 127 ? 0.441 -8.196 11.740 1.00 97.11 127 A 1 ATOM 1066 N N . GLY A 1 128 ? -4.989 -10.243 9.214 1.00 97.02 128 A 1 ATOM 1067 C CA . GLY A 1 128 ? -5.999 -10.826 10.090 1.00 96.65 128 A 1 ATOM 1068 C C . GLY A 1 128 ? -5.481 -11.093 11.500 1.00 97.21 128 A 1 ATOM 1069 O O . GLY A 1 128 ? -4.323 -10.828 11.819 1.00 96.31 128 A 1 ATOM 1070 N N . ALA A 1 129 ? -6.331 -11.677 12.346 1.00 94.21 129 A 1 ATOM 1071 C CA . ALA A 1 129 ? -6.037 -11.919 13.763 1.00 93.20 129 A 1 ATOM 1072 C C . ALA A 1 129 ? -4.757 -12.744 14.007 1.00 93.17 129 A 1 ATOM 1073 O O . ALA A 1 129 ? -4.051 -12.527 14.985 1.00 89.50 129 A 1 ATOM 1074 C CB . ALA A 1 129 ? -7.258 -12.613 14.376 1.00 90.61 129 A 1 ATOM 1075 N N . HIS A 1 130 ? -4.427 -13.655 13.093 1.00 94.08 130 A 1 ATOM 1076 C CA . HIS A 1 130 ? -3.248 -14.521 13.219 1.00 94.65 130 A 1 ATOM 1077 C C . HIS A 1 130 ? -2.023 -14.024 12.440 1.00 95.92 130 A 1 ATOM 1078 O O . HIS A 1 130 ? -0.977 -14.675 12.446 1.00 94.32 130 A 1 ATOM 1079 C CB . HIS A 1 130 ? -3.638 -15.951 12.839 1.00 92.05 130 A 1 ATOM 1080 C CG . HIS A 1 130 ? -4.767 -16.479 13.681 1.00 86.32 130 A 1 ATOM 1081 N ND1 . HIS A 1 130 ? -4.761 -16.613 15.054 1.00 73.50 130 A 1 ATOM 1082 C CD2 . HIS A 1 130 ? -6.014 -16.851 13.253 1.00 73.08 130 A 1 ATOM 1083 C CE1 . HIS A 1 130 ? -5.965 -17.056 15.438 1.00 71.84 130 A 1 ATOM 1084 N NE2 . HIS A 1 130 ? -6.757 -17.215 14.370 1.00 72.84 130 A 1 ATOM 1085 N N . SER A 1 131 ? -2.129 -12.869 11.780 1.00 96.96 131 A 1 ATOM 1086 C CA . SER A 1 131 ? -1.064 -12.375 10.900 1.00 97.47 131 A 1 ATOM 1087 C C . SER A 1 131 ? 0.164 -11.860 11.651 1.00 97.35 131 A 1 ATOM 1088 O O . SER A 1 131 ? 1.244 -11.823 11.075 1.00 96.51 131 A 1 ATOM 1089 C CB . SER A 1 131 ? -1.599 -11.281 9.974 1.00 97.34 131 A 1 ATOM 1090 O OG . SER A 1 131 ? -2.637 -11.805 9.166 1.00 96.52 131 A 1 ATOM 1091 N N . MET A 1 132 ? 0.022 -11.518 12.933 1.00 96.53 132 A 1 ATOM 1092 C CA . MET A 1 132 ? 1.120 -10.958 13.732 1.00 95.49 132 A 1 ATOM 1093 C C . MET A 1 132 ? 2.296 -11.932 13.910 1.00 95.33 132 A 1 ATOM 1094 O O . MET A 1 132 ? 3.448 -11.514 14.021 1.00 93.91 132 A 1 ATOM 1095 C CB . MET A 1 132 ? 0.568 -10.514 15.094 1.00 93.45 132 A 1 ATOM 1096 C CG . MET A 1 132 ? 1.547 -9.611 15.852 1.00 83.77 132 A 1 ATOM 1097 S SD . MET A 1 132 ? 0.853 -8.911 17.373 1.00 78.45 132 A 1 ATOM 1098 C CE . MET A 1 132 ? 2.236 -7.867 17.911 1.00 68.87 132 A 1 ATOM 1099 N N . THR A 1 133 ? 2.028 -13.235 13.906 1.00 95.58 133 A 1 ATOM 1100 C CA . THR A 1 133 ? 3.101 -14.229 14.037 1.00 95.84 133 A 1 ATOM 1101 C C . THR A 1 133 ? 4.050 -14.159 12.836 1.00 96.15 133 A 1 ATOM 1102 O O . THR A 1 133 ? 3.595 -14.117 11.691 1.00 95.37 133 A 1 ATOM 1103 C CB . THR A 1 133 ? 2.573 -15.659 14.200 1.00 94.30 133 A 1 ATOM 1104 O OG1 . THR A 1 133 ? 1.817 -16.067 13.091 1.00 83.51 133 A 1 ATOM 1105 C CG2 . THR A 1 133 ? 1.702 -15.810 15.441 1.00 81.97 133 A 1 ATOM 1106 N N . PRO A 1 134 ? 5.371 -14.216 13.041 1.00 94.26 134 A 1 ATOM 1107 C CA . PRO A 1 134 ? 6.338 -14.091 11.941 1.00 93.27 134 A 1 ATOM 1108 C C . PRO A 1 134 ? 6.219 -15.149 10.839 1.00 93.74 134 A 1 ATOM 1109 O O . PRO A 1 134 ? 6.685 -14.947 9.717 1.00 92.27 134 A 1 ATOM 1110 C CB . PRO A 1 134 ? 7.704 -14.187 12.623 1.00 91.26 134 A 1 ATOM 1111 C CG . PRO A 1 134 ? 7.453 -13.670 14.031 1.00 88.96 134 A 1 ATOM 1112 C CD . PRO A 1 134 ? 6.051 -14.183 14.324 1.00 92.27 134 A 1 ATOM 1113 N N . SER A 1 135 ? 5.617 -16.296 11.162 1.00 94.66 135 A 1 ATOM 1114 C CA . SER A 1 135 ? 5.375 -17.405 10.238 1.00 95.09 135 A 1 ATOM 1115 C C . SER A 1 135 ? 4.006 -17.347 9.550 1.00 95.73 135 A 1 ATOM 1116 O O . SER A 1 135 ? 3.670 -18.278 8.812 1.00 94.56 135 A 1 ATOM 1117 C CB . SER A 1 135 ? 5.544 -18.726 10.997 1.00 93.91 135 A 1 ATOM 1118 O OG . SER A 1 135 ? 4.663 -18.762 12.101 1.00 89.20 135 A 1 ATOM 1119 N N . SER A 1 136 ? 3.218 -16.294 9.781 1.00 96.77 136 A 1 ATOM 1120 C CA . SER A 1 136 ? 1.883 -16.150 9.197 1.00 97.17 136 A 1 ATOM 1121 C C . SER A 1 136 ? 1.913 -16.054 7.667 1.00 97.46 136 A 1 ATOM 1122 O O . SER A 1 136 ? 2.936 -15.718 7.066 1.00 97.29 136 A 1 ATOM 1123 C CB . SER A 1 136 ? 1.152 -14.944 9.796 1.00 96.89 136 A 1 ATOM 1124 O OG . SER A 1 136 ? 1.707 -13.730 9.340 1.00 96.05 136 A 1 ATOM 1125 N N . GLY A 1 137 ? 0.769 -16.338 7.044 1.00 97.10 137 A 1 ATOM 1126 C CA . GLY A 1 137 ? 0.601 -16.181 5.594 1.00 96.87 137 A 1 ATOM 1127 C C . GLY A 1 137 ? 0.888 -14.759 5.132 1.00 97.26 137 A 1 ATOM 1128 O O . GLY A 1 137 ? 1.634 -14.585 4.176 1.00 96.71 137 A 1 ATOM 1129 N N . PHE A 1 138 ? 0.437 -13.755 5.892 1.00 97.62 138 A 1 ATOM 1130 C CA . PHE A 1 138 ? 0.681 -12.342 5.596 1.00 97.89 138 A 1 ATOM 1131 C C . PHE A 1 138 ? 2.170 -12.037 5.369 1.00 97.82 138 A 1 ATOM 1132 O O . PHE A 1 138 ? 2.547 -11.504 4.328 1.00 97.70 138 A 1 ATOM 1133 C CB . PHE A 1 138 ? 0.131 -11.482 6.741 1.00 97.93 138 A 1 ATOM 1134 C CG . PHE A 1 138 ? 0.428 -10.006 6.575 1.00 98.25 138 A 1 ATOM 1135 C CD1 . PHE A 1 138 ? 1.604 -9.448 7.107 1.00 98.14 138 A 1 ATOM 1136 C CD2 . PHE A 1 138 ? -0.442 -9.192 5.828 1.00 98.12 138 A 1 ATOM 1137 C CE1 . PHE A 1 138 ? 1.911 -8.093 6.890 1.00 97.96 138 A 1 ATOM 1138 C CE2 . PHE A 1 138 ? -0.143 -7.839 5.615 1.00 97.88 138 A 1 ATOM 1139 C CZ . PHE A 1 138 ? 1.036 -7.292 6.143 1.00 98.03 138 A 1 ATOM 1140 N N . TRP A 1 139 ? 3.027 -12.416 6.308 1.00 97.72 139 A 1 ATOM 1141 C CA . TRP A 1 139 ? 4.460 -12.133 6.202 1.00 97.45 139 A 1 ATOM 1142 C C . TRP A 1 139 ? 5.134 -12.948 5.100 1.00 97.01 139 A 1 ATOM 1143 O O . TRP A 1 139 ? 6.043 -12.444 4.442 1.00 96.42 139 A 1 ATOM 1144 C CB . TRP A 1 139 ? 5.143 -12.373 7.548 1.00 97.28 139 A 1 ATOM 1145 C CG . TRP A 1 139 ? 4.728 -11.424 8.633 1.00 97.58 139 A 1 ATOM 1146 C CD1 . TRP A 1 139 ? 4.099 -11.764 9.775 1.00 97.00 139 A 1 ATOM 1147 C CD2 . TRP A 1 139 ? 4.887 -9.970 8.672 1.00 97.74 139 A 1 ATOM 1148 N NE1 . TRP A 1 139 ? 3.855 -10.622 10.533 1.00 96.94 139 A 1 ATOM 1149 C CE2 . TRP A 1 139 ? 4.314 -9.502 9.886 1.00 97.41 139 A 1 ATOM 1150 C CE3 . TRP A 1 139 ? 5.449 -9.013 7.800 1.00 97.50 139 A 1 ATOM 1151 C CZ2 . TRP A 1 139 ? 4.288 -8.130 10.229 1.00 97.09 139 A 1 ATOM 1152 C CZ3 . TRP A 1 139 ? 5.426 -7.643 8.141 1.00 97.18 139 A 1 ATOM 1153 C CH2 . TRP A 1 139 ? 4.844 -7.213 9.341 1.00 97.14 139 A 1 ATOM 1154 N N . LYS A 1 140 ? 4.693 -14.174 4.860 1.00 97.09 140 A 1 ATOM 1155 C CA . LYS A 1 140 ? 5.200 -15.012 3.767 1.00 96.59 140 A 1 ATOM 1156 C C . LYS A 1 140 ? 4.851 -14.414 2.404 1.00 96.21 140 A 1 ATOM 1157 O O . LYS A 1 140 ? 5.738 -14.275 1.564 1.00 95.66 140 A 1 ATOM 1158 C CB . LYS A 1 140 ? 4.651 -16.436 3.884 1.00 96.23 140 A 1 ATOM 1159 C CG . LYS A 1 140 ? 5.276 -17.205 5.055 1.00 90.87 140 A 1 ATOM 1160 C CD . LYS A 1 140 ? 4.599 -18.573 5.201 1.00 86.62 140 A 1 ATOM 1161 C CE . LYS A 1 140 ? 5.244 -19.355 6.343 1.00 78.39 140 A 1 ATOM 1162 N NZ . LYS A 1 140 ? 4.484 -20.584 6.672 1.00 70.09 140 A 1 ATOM 1163 N N . GLU A 1 141 ? 3.599 -14.028 2.214 1.00 96.90 141 A 1 ATOM 1164 C CA . GLU A 1 141 ? 3.145 -13.391 0.976 1.00 96.62 141 A 1 ATOM 1165 C C . GLU A 1 141 ? 3.855 -12.055 0.735 1.00 96.52 141 A 1 ATOM 1166 O O . GLU A 1 141 ? 4.355 -11.805 -0.365 1.00 96.05 141 A 1 ATOM 1167 C CB . GLU A 1 141 ? 1.630 -13.172 1.035 1.00 96.26 141 A 1 ATOM 1168 C CG . GLU A 1 141 ? 0.836 -14.476 0.889 1.00 88.02 141 A 1 ATOM 1169 C CD . GLU A 1 141 ? -0.669 -14.259 1.086 1.00 82.99 141 A 1 ATOM 1170 O OE1 . GLU A 1 141 ? -1.316 -15.185 1.618 1.00 77.47 141 A 1 ATOM 1171 O OE2 . GLU A 1 141 ? -1.167 -13.171 0.718 1.00 78.20 141 A 1 ATOM 1172 N N . LEU A 1 142 ? 3.986 -11.230 1.776 1.00 97.17 142 A 1 ATOM 1173 C CA . LEU A 1 142 ? 4.691 -9.957 1.682 1.00 97.34 142 A 1 ATOM 1174 C C . LEU A 1 142 ? 6.175 -10.158 1.340 1.00 96.97 142 A 1 ATOM 1175 O O . LEU A 1 142 ? 6.695 -9.486 0.451 1.00 96.60 142 A 1 ATOM 1176 C CB . LEU A 1 142 ? 4.477 -9.172 2.985 1.00 97.59 142 A 1 ATOM 1177 C CG . LEU A 1 142 ? 5.050 -7.740 2.956 1.00 97.46 142 A 1 ATOM 1178 C CD1 . LEU A 1 142 ? 4.463 -6.878 1.844 1.00 97.17 142 A 1 ATOM 1179 C CD2 . LEU A 1 142 ? 4.737 -7.058 4.290 1.00 97.11 142 A 1 ATOM 1180 N N . ALA A 1 143 ? 6.842 -11.114 1.966 1.00 96.64 143 A 1 ATOM 1181 C CA . ALA A 1 143 ? 8.240 -11.426 1.668 1.00 95.94 143 A 1 ATOM 1182 C C . ALA A 1 143 ? 8.456 -11.923 0.226 1.00 95.60 143 A 1 ATOM 1183 O O . ALA A 1 143 ? 9.500 -11.648 -0.364 1.00 94.62 143 A 1 ATOM 1184 C CB . ALA A 1 143 ? 8.740 -12.456 2.686 1.00 95.13 143 A 1 ATOM 1185 N N . LEU A 1 144 ? 7.479 -12.618 -0.359 1.00 95.39 144 A 1 ATOM 1186 C CA . LEU A 1 144 ? 7.561 -13.090 -1.746 1.00 94.84 144 A 1 ATOM 1187 C C . LEU A 1 144 ? 7.526 -11.951 -2.771 1.00 94.57 144 A 1 ATOM 1188 O O . LEU A 1 144 ? 8.180 -12.040 -3.812 1.00 93.15 144 A 1 ATOM 1189 C CB . LEU A 1 144 ? 6.408 -14.070 -2.024 1.00 93.98 144 A 1 ATOM 1190 C CG . LEU A 1 144 ? 6.580 -15.462 -1.394 1.00 85.30 144 A 1 ATOM 1191 C CD1 . LEU A 1 144 ? 5.279 -16.249 -1.522 1.00 82.47 144 A 1 ATOM 1192 C CD2 . LEU A 1 144 ? 7.691 -16.255 -2.076 1.00 81.55 144 A 1 ATOM 1193 N N . VAL A 1 145 ? 6.772 -10.880 -2.477 1.00 95.73 145 A 1 ATOM 1194 C CA . VAL A 1 145 ? 6.610 -9.746 -3.405 1.00 95.65 145 A 1 ATOM 1195 C C . VAL A 1 145 ? 7.615 -8.623 -3.164 1.00 95.68 145 A 1 ATOM 1196 O O . VAL A 1 145 ? 7.885 -7.834 -4.075 1.00 94.87 145 A 1 ATOM 1197 C CB . VAL A 1 145 ? 5.162 -9.222 -3.413 1.00 95.32 145 A 1 ATOM 1198 C CG1 . VAL A 1 145 ? 4.201 -10.322 -3.873 1.00 92.24 145 A 1 ATOM 1199 C CG2 . VAL A 1 145 ? 4.706 -8.699 -2.054 1.00 92.62 145 A 1 ATOM 1200 N N . MET A 1 146 ? 8.200 -8.567 -1.973 1.00 95.75 146 A 1 ATOM 1201 C CA . MET A 1 146 ? 9.273 -7.636 -1.644 1.00 95.76 146 A 1 ATOM 1202 C C . MET A 1 146 ? 10.587 -8.011 -2.352 1.00 94.97 146 A 1 ATOM 1203 O O . MET A 1 146 ? 10.821 -9.182 -2.663 1.00 93.72 146 A 1 ATOM 1204 C CB . MET A 1 146 ? 9.442 -7.551 -0.123 1.00 95.78 146 A 1 ATOM 1205 C CG . MET A 1 146 ? 8.309 -6.733 0.529 1.00 94.54 146 A 1 ATOM 1206 S SD . MET A 1 146 ? 8.231 -4.975 0.063 1.00 94.67 146 A 1 ATOM 1207 C CE . MET A 1 146 ? 9.675 -4.355 0.961 1.00 90.99 146 A 1 ATOM 1208 N N . PRO A 1 147 ? 11.465 -7.038 -2.626 1.00 94.87 147 A 1 ATOM 1209 C CA . PRO A 1 147 ? 12.775 -7.327 -3.195 1.00 93.22 147 A 1 ATOM 1210 C C . PRO A 1 147 ? 13.563 -8.271 -2.284 1.00 91.43 147 A 1 ATOM 1211 O O . PRO A 1 147 ? 13.695 -8.024 -1.089 1.00 86.43 147 A 1 ATOM 1212 C CB . PRO A 1 147 ? 13.481 -5.977 -3.349 1.00 91.28 147 A 1 ATOM 1213 C CG . PRO A 1 147 ? 12.343 -4.962 -3.321 1.00 90.74 147 A 1 ATOM 1214 C CD . PRO A 1 147 ? 11.304 -5.609 -2.420 1.00 93.97 147 A 1 ATOM 1215 N N . ARG A 1 148 ? 14.114 -9.339 -2.849 1.00 87.88 148 A 1 ATOM 1216 C CA . ARG A 1 148 ? 15.045 -10.188 -2.104 1.00 84.43 148 A 1 ATOM 1217 C C . ARG A 1 148 ? 16.278 -9.360 -1.772 1.00 81.02 148 A 1 ATOM 1218 O O . ARG A 1 148 ? 17.041 -9.009 -2.669 1.00 70.72 148 A 1 ATOM 1219 C CB . ARG A 1 148 ? 15.429 -11.445 -2.896 1.00 78.21 148 A 1 ATOM 1220 C CG . ARG A 1 148 ? 14.256 -12.421 -3.034 1.00 66.56 148 A 1 ATOM 1221 C CD . ARG A 1 148 ? 14.708 -13.698 -3.741 1.00 62.06 148 A 1 ATOM 1222 N NE . ARG A 1 148 ? 13.593 -14.645 -3.907 1.00 53.92 148 A 1 ATOM 1223 C CZ . ARG A 1 148 ? 13.666 -15.853 -4.440 1.00 47.38 148 A 1 ATOM 1224 N NH1 . ARG A 1 148 ? 14.790 -16.342 -4.884 1.00 44.43 148 A 1 ATOM 1225 N NH2 . ARG A 1 148 ? 12.597 -16.590 -4.534 1.00 41.16 148 A 1 ATOM 1226 N N . LYS A 1 149 ? 16.498 -9.102 -0.497 1.00 76.15 149 A 1 ATOM 1227 C CA . LYS A 1 149 ? 17.843 -8.778 -0.052 1.00 72.69 149 A 1 ATOM 1228 C C . LYS A 1 149 ? 18.619 -10.080 0.025 1.00 69.66 149 A 1 ATOM 1229 O O . LYS A 1 149 ? 18.153 -11.065 0.597 1.00 61.34 149 A 1 ATOM 1230 C CB . LYS A 1 149 ? 17.857 -7.986 1.261 1.00 66.22 149 A 1 ATOM 1231 C CG . LYS A 1 149 ? 17.406 -6.558 0.935 1.00 60.83 149 A 1 ATOM 1232 C CD . LYS A 1 149 ? 17.727 -5.571 2.046 1.00 57.06 149 A 1 ATOM 1233 C CE . LYS A 1 149 ? 17.408 -4.195 1.470 1.00 52.00 149 A 1 ATOM 1234 N NZ . LYS A 1 149 ? 17.661 -3.112 2.429 1.00 48.01 149 A 1 ATOM 1235 N N . HIS A 1 150 ? 19.798 -10.084 -0.580 1.00 57.11 150 A 1 ATOM 1236 C CA . HIS A 1 150 ? 20.791 -11.063 -0.209 1.00 53.94 150 A 1 ATOM 1237 C C . HIS A 1 150 ? 21.090 -10.826 1.271 1.00 52.67 150 A 1 ATOM 1238 O O . HIS A 1 150 ? 21.849 -9.928 1.625 1.00 47.75 150 A 1 ATOM 1239 C CB . HIS A 1 150 ? 22.037 -10.933 -1.092 1.00 48.24 150 A 1 ATOM 1240 C CG . HIS A 1 150 ? 21.804 -11.426 -2.494 1.00 44.35 150 A 1 ATOM 1241 N ND1 . HIS A 1 150 ? 21.752 -12.744 -2.894 1.00 40.57 150 A 1 ATOM 1242 C CD2 . HIS A 1 150 ? 21.583 -10.668 -3.618 1.00 39.51 150 A 1 ATOM 1243 C CE1 . HIS A 1 150 ? 21.518 -12.778 -4.214 1.00 37.79 150 A 1 ATOM 1244 N NE2 . HIS A 1 150 ? 21.403 -11.533 -4.691 1.00 38.12 150 A 1 ATOM 1245 N N . HIS A 1 151 ? 20.452 -11.622 2.142 1.00 50.91 151 A 1 ATOM 1246 C CA . HIS A 1 151 ? 21.083 -11.880 3.412 1.00 50.16 151 A 1 ATOM 1247 C C . HIS A 1 151 ? 22.410 -12.542 3.054 1.00 48.87 151 A 1 ATOM 1248 O O . HIS A 1 151 ? 22.461 -13.737 2.757 1.00 45.89 151 A 1 ATOM 1249 C CB . HIS A 1 151 ? 20.205 -12.757 4.317 1.00 47.23 151 A 1 ATOM 1250 C CG . HIS A 1 151 ? 19.071 -11.994 4.944 1.00 44.53 151 A 1 ATOM 1251 N ND1 . HIS A 1 151 ? 19.180 -11.052 5.951 1.00 41.84 151 A 1 ATOM 1252 C CD2 . HIS A 1 151 ? 17.738 -12.092 4.639 1.00 40.53 151 A 1 ATOM 1253 C CE1 . HIS A 1 151 ? 17.948 -10.602 6.240 1.00 39.75 151 A 1 ATOM 1254 N NE2 . HIS A 1 151 ? 17.045 -11.211 5.462 1.00 39.34 151 A 1 ATOM 1255 N N . HIS A 1 152 ? 23.480 -11.746 3.042 1.00 43.94 152 A 1 ATOM 1256 C CA . HIS A 1 152 ? 24.770 -12.305 3.344 1.00 44.54 152 A 1 ATOM 1257 C C . HIS A 1 152 ? 24.645 -12.852 4.769 1.00 43.60 152 A 1 ATOM 1258 O O . HIS A 1 152 ? 24.867 -12.144 5.746 1.00 40.74 152 A 1 ATOM 1259 C CB . HIS A 1 152 ? 25.879 -11.254 3.194 1.00 42.41 152 A 1 ATOM 1260 C CG . HIS A 1 152 ? 26.205 -10.947 1.757 1.00 39.28 152 A 1 ATOM 1261 N ND1 . HIS A 1 152 ? 26.865 -11.781 0.880 1.00 36.33 152 A 1 ATOM 1262 C CD2 . HIS A 1 152 ? 25.916 -9.799 1.062 1.00 35.58 152 A 1 ATOM 1263 C CE1 . HIS A 1 152 ? 26.974 -11.154 -0.302 1.00 34.59 152 A 1 ATOM 1264 N NE2 . HIS A 1 152 ? 26.406 -9.945 -0.231 1.00 34.55 152 A 1 ATOM 1265 N N . HIS A 1 153 ? 24.222 -14.121 4.870 1.00 42.78 153 A 1 ATOM 1266 C CA . HIS A 1 153 ? 24.693 -14.916 5.975 1.00 43.85 153 A 1 ATOM 1267 C C . HIS A 1 153 ? 26.213 -14.914 5.824 1.00 42.63 153 A 1 ATOM 1268 O O . HIS A 1 153 ? 26.768 -15.672 5.029 1.00 39.78 153 A 1 ATOM 1269 C CB . HIS A 1 153 ? 24.092 -16.326 5.935 1.00 42.25 153 A 1 ATOM 1270 C CG . HIS A 1 153 ? 22.670 -16.365 6.420 1.00 39.00 153 A 1 ATOM 1271 N ND1 . HIS A 1 153 ? 22.264 -16.253 7.736 1.00 35.89 153 A 1 ATOM 1272 C CD2 . HIS A 1 153 ? 21.528 -16.522 5.672 1.00 35.23 153 A 1 ATOM 1273 C CE1 . HIS A 1 153 ? 20.926 -16.343 7.778 1.00 34.25 153 A 1 ATOM 1274 N NE2 . HIS A 1 153 ? 20.440 -16.506 6.539 1.00 34.27 153 A 1 ATOM 1275 N N . HIS A 1 154 ? 26.862 -13.988 6.536 1.00 38.88 154 A 1 ATOM 1276 C CA . HIS A 1 154 ? 28.223 -14.250 6.929 1.00 40.96 154 A 1 ATOM 1277 C C . HIS A 1 154 ? 28.151 -15.515 7.787 1.00 39.84 154 A 1 ATOM 1278 O O . HIS A 1 154 ? 27.626 -15.488 8.901 1.00 36.89 154 A 1 ATOM 1279 C CB . HIS A 1 154 ? 28.821 -13.044 7.668 1.00 39.38 154 A 1 ATOM 1280 C CG . HIS A 1 154 ? 29.219 -11.936 6.727 1.00 36.35 154 A 1 ATOM 1281 N ND1 . HIS A 1 154 ? 30.327 -11.942 5.904 1.00 33.30 154 A 1 ATOM 1282 C CD2 . HIS A 1 154 ? 28.568 -10.748 6.496 1.00 33.05 154 A 1 ATOM 1283 C CE1 . HIS A 1 154 ? 30.348 -10.793 5.206 1.00 32.50 154 A 1 ATOM 1284 N NE2 . HIS A 1 154 ? 29.290 -10.039 5.536 1.00 33.07 154 A 1 ATOM 1285 N N . HIS A 1 155 ? 28.552 -16.618 7.196 1.00 33.84 155 A 1 ATOM 1286 C CA . HIS A 1 155 ? 29.072 -17.745 7.954 1.00 38.10 155 A 1 ATOM 1287 C C . HIS A 1 155 ? 30.340 -17.303 8.689 1.00 35.86 155 A 1 ATOM 1288 O O . HIS A 1 155 ? 31.086 -16.472 8.127 1.00 31.16 155 A 1 ATOM 1289 C CB . HIS A 1 155 ? 29.348 -18.923 7.014 1.00 34.46 155 A 1 ATOM 1290 C CG . HIS A 1 155 ? 28.098 -19.666 6.603 1.00 32.56 155 A 1 ATOM 1291 N ND1 . HIS A 1 155 ? 27.356 -20.473 7.436 1.00 27.88 155 A 1 ATOM 1292 C CD2 . HIS A 1 155 ? 27.491 -19.709 5.379 1.00 26.33 155 A 1 ATOM 1293 C CE1 . HIS A 1 155 ? 26.328 -20.982 6.732 1.00 26.76 155 A 1 ATOM 1294 N NE2 . HIS A 1 155 ? 26.379 -20.539 5.475 1.00 29.48 155 A 1 ATOM 1295 O OXT . HIS A 1 155 ? 30.564 -17.840 9.806 1.00 27.52 155 A 1 #