# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_7fcj # _entry.id 7fcj # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n LYS 2 1 n MET 3 1 n TYR 4 1 n ASP 5 1 n ALA 6 1 n TYR 7 1 n ILE 8 1 n SER 9 1 n TYR 10 1 n VAL 11 1 n ASN 12 1 n ASN 13 1 n GLU 14 1 n ASN 15 1 n ASP 16 1 n ARG 17 1 n LYS 18 1 n PHE 19 1 n VAL 20 1 n ASN 21 1 n PHE 22 1 n ILE 23 1 n LEU 24 1 n LYS 25 1 n PRO 26 1 n HIS 27 1 n LEU 28 1 n GLU 29 1 n ASN 30 1 n LYS 31 1 n TYR 32 1 n SER 33 1 n HIS 34 1 n LYS 35 1 n LEU 36 1 n LEU 37 1 n LEU 38 1 n ASN 39 1 n ASP 40 1 n THR 41 1 n ASN 42 1 n ILE 43 1 n LEU 44 1 n PRO 45 1 n GLY 46 1 n ALA 47 1 n GLU 48 1 n PRO 49 1 n SER 50 1 n ALA 51 1 n GLU 52 1 n LEU 53 1 n LEU 54 1 n MET 55 1 n ASN 56 1 n ILE 57 1 n SER 58 1 n ARG 59 1 n CYS 60 1 n GLN 61 1 n ARG 62 1 n LEU 63 1 n ILE 64 1 n VAL 65 1 n VAL 66 1 n LEU 67 1 n SER 68 1 n GLN 69 1 n SER 70 1 n TYR 71 1 n LEU 72 1 n GLU 73 1 n GLN 74 1 n GLU 75 1 n TRP 76 1 n CYS 77 1 n THR 78 1 n THR 79 1 n ASN 80 1 n PHE 81 1 n ARG 82 1 n GLN 83 1 n GLY 84 1 n LEU 85 1 n TRP 86 1 n HIS 87 1 n LEU 88 1 n ILE 89 1 n GLU 90 1 n LEU 91 1 n SER 92 1 n ARG 93 1 n LYS 94 1 n PRO 95 1 n ILE 96 1 n PHE 97 1 n ILE 98 1 n ILE 99 1 n PHE 100 1 n GLN 101 1 n SER 102 1 n GLN 103 1 n GLN 104 1 n LYS 105 1 n GLN 106 1 n ILE 107 1 n SER 108 1 n GLN 109 1 n ASP 110 1 n ILE 111 1 n SER 112 1 n GLN 113 1 n GLN 114 1 n LEU 115 1 n ARG 116 1 n GLN 117 1 n HIS 118 1 n GLN 119 1 n PRO 120 1 n SER 121 1 n ILE 122 1 n THR 123 1 n MET 124 1 n ILE 125 1 n THR 126 1 n TRP 127 1 n GLY 128 1 n ALA 129 1 n HIS 130 1 n SER 131 1 n MET 132 1 n THR 133 1 n PRO 134 1 n SER 135 1 n SER 136 1 n GLY 137 1 n PHE 138 1 n TRP 139 1 n LYS 140 1 n GLU 141 1 n LEU 142 1 n ALA 143 1 n LEU 144 1 n VAL 145 1 n MET 146 1 n PRO 147 1 n ARG 148 1 n LYS 149 1 n HIS 150 1 n HIS 151 1 n HIS 152 1 n HIS 153 1 n HIS 154 1 n HIS 155 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-09-26 03:39:09)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 89.04 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 64.31 1 1 A LYS 2 2 76.10 1 2 A MET 3 2 81.43 1 3 A TYR 4 2 94.41 1 4 A ASP 5 2 95.76 1 5 A ALA 6 2 97.26 1 6 A TYR 7 2 91.64 1 7 A ILE 8 2 97.44 1 8 A SER 9 2 98.32 1 9 A TYR 10 2 98.15 1 10 A VAL 11 2 95.74 1 11 A ASN 12 2 93.31 1 12 A ASN 13 2 92.98 1 13 A GLU 14 2 90.80 1 14 A ASN 15 2 87.97 1 15 A ASP 16 2 97.45 1 16 A ARG 17 2 86.72 1 17 A LYS 18 2 92.35 1 18 A PHE 19 2 98.10 1 19 A VAL 20 2 98.35 1 20 A ASN 21 2 93.91 1 21 A PHE 22 2 93.43 1 22 A ILE 23 2 97.20 1 23 A LEU 24 2 97.85 1 24 A LYS 25 2 93.52 1 25 A PRO 26 2 97.01 1 26 A HIS 27 2 89.68 1 27 A LEU 28 2 96.55 1 28 A GLU 29 2 95.65 1 29 A ASN 30 2 92.01 1 30 A LYS 31 2 84.22 1 31 A TYR 32 2 86.45 1 32 A SER 33 2 92.52 1 33 A HIS 34 2 93.53 1 34 A LYS 35 2 87.74 1 35 A LEU 36 2 97.22 1 36 A LEU 37 2 93.61 1 37 A LEU 38 2 95.13 1 38 A ASN 39 2 91.22 1 39 A ASP 40 2 95.79 1 40 A THR 41 2 92.72 1 41 A ASN 42 2 94.81 1 42 A ILE 43 2 96.35 1 43 A LEU 44 2 96.75 1 44 A PRO 45 2 95.68 1 45 A GLY 46 2 94.75 1 46 A ALA 47 2 95.19 1 47 A GLU 48 2 92.23 1 48 A PRO 49 2 97.12 1 49 A SER 50 2 96.90 1 50 A ALA 51 2 96.29 1 51 A GLU 52 2 85.92 1 52 A LEU 53 2 96.36 1 53 A LEU 54 2 95.49 1 54 A MET 55 2 86.06 1 55 A ASN 56 2 90.81 1 56 A ILE 57 2 88.49 1 57 A SER 58 2 91.52 1 58 A ARG 59 2 86.05 1 59 A CYS 60 2 95.48 1 60 A GLN 61 2 89.90 1 61 A ARG 62 2 92.28 1 62 A LEU 63 2 97.51 1 63 A ILE 64 2 98.29 1 64 A VAL 65 2 98.32 1 65 A VAL 66 2 98.40 1 66 A LEU 67 2 96.23 1 67 A SER 68 2 97.45 1 68 A GLN 69 2 84.24 1 69 A SER 70 2 94.86 1 70 A TYR 71 2 97.58 1 71 A LEU 72 2 96.02 1 72 A GLU 73 2 91.08 1 73 A GLN 74 2 94.07 1 74 A GLU 75 2 86.24 1 75 A TRP 76 2 95.44 1 76 A CYS 77 2 95.96 1 77 A THR 78 2 93.72 1 78 A THR 79 2 92.57 1 79 A ASN 80 2 88.82 1 80 A PHE 81 2 96.50 1 81 A ARG 82 2 82.11 1 82 A GLN 83 2 88.28 1 83 A GLY 84 2 97.69 1 84 A LEU 85 2 96.91 1 85 A TRP 86 2 77.99 1 86 A HIS 87 2 94.49 1 87 A LEU 88 2 97.44 1 88 A ILE 89 2 96.70 1 89 A GLU 90 2 85.26 1 90 A LEU 91 2 94.78 1 91 A SER 92 2 89.67 1 92 A ARG 93 2 70.01 1 93 A LYS 94 2 90.45 1 94 A PRO 95 2 97.28 1 95 A ILE 96 2 98.09 1 96 A PHE 97 2 97.27 1 97 A ILE 98 2 98.18 1 98 A ILE 99 2 91.44 1 99 A PHE 100 2 97.02 1 100 A GLN 101 2 88.96 1 101 A SER 102 2 93.77 1 102 A GLN 103 2 91.65 1 103 A GLN 104 2 81.00 1 104 A LYS 105 2 81.55 1 105 A GLN 106 2 82.20 1 106 A ILE 107 2 89.61 1 107 A SER 108 2 91.79 1 108 A GLN 109 2 83.49 1 109 A ASP 110 2 86.13 1 110 A ILE 111 2 94.60 1 111 A SER 112 2 91.64 1 112 A GLN 113 2 85.38 1 113 A GLN 114 2 89.57 1 114 A LEU 115 2 95.27 1 115 A ARG 116 2 78.83 1 116 A GLN 117 2 86.69 1 117 A HIS 118 2 90.23 1 118 A GLN 119 2 81.83 1 119 A PRO 120 2 93.39 1 120 A SER 121 2 95.53 1 121 A ILE 122 2 96.99 1 122 A THR 123 2 96.79 1 123 A MET 124 2 89.70 1 124 A ILE 125 2 96.58 1 125 A THR 126 2 95.85 1 126 A TRP 127 2 97.76 1 127 A GLY 128 2 96.89 1 128 A ALA 129 2 92.01 1 129 A HIS 130 2 84.78 1 130 A SER 131 2 97.15 1 131 A MET 132 2 88.36 1 132 A THR 133 2 91.77 1 133 A PRO 134 2 91.74 1 134 A SER 135 2 93.65 1 135 A SER 136 2 96.92 1 136 A GLY 137 2 97.13 1 137 A PHE 138 2 98.01 1 138 A TRP 139 2 97.26 1 139 A LYS 140 2 89.79 1 140 A GLU 141 2 90.42 1 141 A LEU 142 2 97.34 1 142 A ALA 143 2 95.72 1 143 A LEU 144 2 90.71 1 144 A VAL 145 2 95.33 1 145 A MET 146 2 94.77 1 146 A PRO 147 2 91.90 1 147 A ARG 148 2 65.86 1 148 A LYS 149 2 62.79 1 149 A HIS 150 2 47.73 1 150 A HIS 151 2 43.55 1 151 A HIS 152 2 40.10 1 152 A HIS 153 2 37.70 1 153 A HIS 154 2 36.03 1 154 A HIS 155 2 30.88 1 155 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n LYS . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n ASP . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n TYR . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ASN . 12 A 12 A 13 1 n ASN . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n ASP . 16 A 16 A 17 1 n ARG . 17 A 17 A 18 1 n LYS . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n PHE . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n PRO . 26 A 26 A 27 1 n HIS . 27 A 27 A 28 1 n LEU . 28 A 28 A 29 1 n GLU . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n LYS . 31 A 31 A 32 1 n TYR . 32 A 32 A 33 1 n SER . 33 A 33 A 34 1 n HIS . 34 A 34 A 35 1 n LYS . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n LEU . 37 A 37 A 38 1 n LEU . 38 A 38 A 39 1 n ASN . 39 A 39 A 40 1 n ASP . 40 A 40 A 41 1 n THR . 41 A 41 A 42 1 n ASN . 42 A 42 A 43 1 n ILE . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n PRO . 45 A 45 A 46 1 n GLY . 46 A 46 A 47 1 n ALA . 47 A 47 A 48 1 n GLU . 48 A 48 A 49 1 n PRO . 49 A 49 A 50 1 n SER . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n GLU . 52 A 52 A 53 1 n LEU . 53 A 53 A 54 1 n LEU . 54 A 54 A 55 1 n MET . 55 A 55 A 56 1 n ASN . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n SER . 58 A 58 A 59 1 n ARG . 59 A 59 A 60 1 n CYS . 60 A 60 A 61 1 n GLN . 61 A 61 A 62 1 n ARG . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n ILE . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n VAL . 66 A 66 A 67 1 n LEU . 67 A 67 A 68 1 n SER . 68 A 68 A 69 1 n GLN . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n TYR . 71 A 71 A 72 1 n LEU . 72 A 72 A 73 1 n GLU . 73 A 73 A 74 1 n GLN . 74 A 74 A 75 1 n GLU . 75 A 75 A 76 1 n TRP . 76 A 76 A 77 1 n CYS . 77 A 77 A 78 1 n THR . 78 A 78 A 79 1 n THR . 79 A 79 A 80 1 n ASN . 80 A 80 A 81 1 n PHE . 81 A 81 A 82 1 n ARG . 82 A 82 A 83 1 n GLN . 83 A 83 A 84 1 n GLY . 84 A 84 A 85 1 n LEU . 85 A 85 A 86 1 n TRP . 86 A 86 A 87 1 n HIS . 87 A 87 A 88 1 n LEU . 88 A 88 A 89 1 n ILE . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n LEU . 91 A 91 A 92 1 n SER . 92 A 92 A 93 1 n ARG . 93 A 93 A 94 1 n LYS . 94 A 94 A 95 1 n PRO . 95 A 95 A 96 1 n ILE . 96 A 96 A 97 1 n PHE . 97 A 97 A 98 1 n ILE . 98 A 98 A 99 1 n ILE . 99 A 99 A 100 1 n PHE . 100 A 100 A 101 1 n GLN . 101 A 101 A 102 1 n SER . 102 A 102 A 103 1 n GLN . 103 A 103 A 104 1 n GLN . 104 A 104 A 105 1 n LYS . 105 A 105 A 106 1 n GLN . 106 A 106 A 107 1 n ILE . 107 A 107 A 108 1 n SER . 108 A 108 A 109 1 n GLN . 109 A 109 A 110 1 n ASP . 110 A 110 A 111 1 n ILE . 111 A 111 A 112 1 n SER . 112 A 112 A 113 1 n GLN . 113 A 113 A 114 1 n GLN . 114 A 114 A 115 1 n LEU . 115 A 115 A 116 1 n ARG . 116 A 116 A 117 1 n GLN . 117 A 117 A 118 1 n HIS . 118 A 118 A 119 1 n GLN . 119 A 119 A 120 1 n PRO . 120 A 120 A 121 1 n SER . 121 A 121 A 122 1 n ILE . 122 A 122 A 123 1 n THR . 123 A 123 A 124 1 n MET . 124 A 124 A 125 1 n ILE . 125 A 125 A 126 1 n THR . 126 A 126 A 127 1 n TRP . 127 A 127 A 128 1 n GLY . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n HIS . 130 A 130 A 131 1 n SER . 131 A 131 A 132 1 n MET . 132 A 132 A 133 1 n THR . 133 A 133 A 134 1 n PRO . 134 A 134 A 135 1 n SER . 135 A 135 A 136 1 n SER . 136 A 136 A 137 1 n GLY . 137 A 137 A 138 1 n PHE . 138 A 138 A 139 1 n TRP . 139 A 139 A 140 1 n LYS . 140 A 140 A 141 1 n GLU . 141 A 141 A 142 1 n LEU . 142 A 142 A 143 1 n ALA . 143 A 143 A 144 1 n LEU . 144 A 144 A 145 1 n VAL . 145 A 145 A 146 1 n MET . 146 A 146 A 147 1 n PRO . 147 A 147 A 148 1 n ARG . 148 A 148 A 149 1 n LYS . 149 A 149 A 150 1 n HIS . 150 A 150 A 151 1 n HIS . 151 A 151 A 152 1 n HIS . 152 A 152 A 153 1 n HIS . 153 A 153 A 154 1 n HIS . 154 A 154 A 155 1 n HIS . 155 A 155 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (e807fd846049899dfdec5ca44da98c95d67dbcda1ded4e3a9b5f8a9fca437aa0)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -2.971 20.215 7.558 1.00 65.40 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.752 19.811 6.835 1.00 74.40 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.513 18.341 7.133 1.00 78.62 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.592 17.957 8.295 1.00 74.28 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.574 20.690 7.263 1.00 65.99 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.697 20.462 6.439 1.00 57.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.979 21.671 6.879 1.00 52.72 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.352 21.100 5.850 1.00 45.78 1 A 1 ATOM 9 N N . LYS A 1 2 ? -1.310 17.494 6.116 1.00 76.53 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -1.062 16.064 6.345 1.00 82.07 2 A 1 ATOM 11 C C . LYS A 1 2 ? 0.316 15.895 6.993 1.00 84.05 2 A 1 ATOM 12 O O . LYS A 1 2 ? 1.290 16.449 6.500 1.00 81.44 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -1.223 15.265 5.050 1.00 76.89 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -2.686 15.247 4.567 1.00 76.02 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -2.947 14.211 3.470 1.00 73.89 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -4.445 14.099 3.165 1.00 70.10 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -4.826 12.799 2.553 1.00 63.89 2 A 1 ATOM 18 N N . MET A 1 3 ? 0.358 15.160 8.117 1.00 89.02 3 A 1 ATOM 19 C CA . MET A 1 3 ? 1.564 15.032 8.944 1.00 90.96 3 A 1 ATOM 20 C C . MET A 1 3 ? 2.529 13.959 8.419 1.00 92.85 3 A 1 ATOM 21 O O . MET A 1 3 ? 3.737 14.054 8.622 1.00 90.34 3 A 1 ATOM 22 C CB . MET A 1 3 ? 1.108 14.719 10.382 1.00 85.19 3 A 1 ATOM 23 C CG . MET A 1 3 ? 2.259 14.694 11.389 1.00 74.27 3 A 1 ATOM 24 S SD . MET A 1 3 ? 1.732 14.300 13.083 1.00 68.70 3 A 1 ATOM 25 C CE . MET A 1 3 ? 0.802 15.792 13.512 1.00 60.11 3 A 1 ATOM 26 N N . TYR A 1 4 ? 1.976 12.943 7.740 1.00 96.02 4 A 1 ATOM 27 C CA . TYR A 1 4 ? 2.725 11.812 7.209 1.00 96.58 4 A 1 ATOM 28 C C . TYR A 1 4 ? 2.628 11.764 5.684 1.00 96.65 4 A 1 ATOM 29 O O . TYR A 1 4 ? 1.605 12.138 5.096 1.00 95.80 4 A 1 ATOM 30 C CB . TYR A 1 4 ? 2.219 10.513 7.838 1.00 96.25 4 A 1 ATOM 31 C CG . TYR A 1 4 ? 2.343 10.464 9.345 1.00 95.76 4 A 1 ATOM 32 C CD1 . TYR A 1 4 ? 3.552 10.066 9.945 1.00 93.91 4 A 1 ATOM 33 C CD2 . TYR A 1 4 ? 1.256 10.828 10.167 1.00 93.81 4 A 1 ATOM 34 C CE1 . TYR A 1 4 ? 3.677 10.022 11.343 1.00 92.27 4 A 1 ATOM 35 C CE2 . TYR A 1 4 ? 1.370 10.793 11.565 1.00 92.51 4 A 1 ATOM 36 C CZ . TYR A 1 4 ? 2.585 10.386 12.150 1.00 92.84 4 A 1 ATOM 37 O OH . TYR A 1 4 ? 2.700 10.343 13.522 1.00 90.51 4 A 1 ATOM 38 N N . ASP A 1 5 ? 3.689 11.262 5.055 1.00 97.05 5 A 1 ATOM 39 C CA . ASP A 1 5 ? 3.737 11.070 3.605 1.00 97.04 5 A 1 ATOM 40 C C . ASP A 1 5 ? 2.959 9.819 3.181 1.00 97.04 5 A 1 ATOM 41 O O . ASP A 1 5 ? 2.285 9.829 2.149 1.00 96.55 5 A 1 ATOM 42 C CB . ASP A 1 5 ? 5.199 10.993 3.158 1.00 96.76 5 A 1 ATOM 43 C CG . ASP A 1 5 ? 5.972 12.293 3.406 1.00 95.79 5 A 1 ATOM 44 O OD1 . ASP A 1 5 ? 5.493 13.360 2.971 1.00 93.25 5 A 1 ATOM 45 O OD2 . ASP A 1 5 ? 7.069 12.228 4.004 1.00 92.62 5 A 1 ATOM 46 N N . ALA A 1 6 ? 3.012 8.749 3.995 1.00 97.29 6 A 1 ATOM 47 C CA . ALA A 1 6 ? 2.254 7.531 3.739 1.00 97.39 6 A 1 ATOM 48 C C . ALA A 1 6 ? 1.777 6.827 5.012 1.00 97.46 6 A 1 ATOM 49 O O . ALA A 1 6 ? 2.461 6.800 6.033 1.00 97.05 6 A 1 ATOM 50 C CB . ALA A 1 6 ? 3.082 6.588 2.861 1.00 97.12 6 A 1 ATOM 51 N N . TYR A 1 7 ? 0.599 6.212 4.896 1.00 97.14 7 A 1 ATOM 52 C CA . TYR A 1 7 ? 0.076 5.183 5.794 1.00 97.32 7 A 1 ATOM 53 C C . TYR A 1 7 ? 0.378 3.816 5.189 1.00 97.57 7 A 1 ATOM 54 O O . TYR A 1 7 ? 0.045 3.593 4.026 1.00 97.23 7 A 1 ATOM 55 C CB . TYR A 1 7 ? -1.427 5.399 5.953 1.00 96.41 7 A 1 ATOM 56 C CG . TYR A 1 7 ? -2.073 4.512 6.991 1.00 94.89 7 A 1 ATOM 57 C CD1 . TYR A 1 7 ? -2.812 3.369 6.621 1.00 91.07 7 A 1 ATOM 58 C CD2 . TYR A 1 7 ? -1.991 4.872 8.346 1.00 90.23 7 A 1 ATOM 59 C CE1 . TYR A 1 7 ? -3.501 2.628 7.597 1.00 85.94 7 A 1 ATOM 60 C CE2 . TYR A 1 7 ? -2.672 4.136 9.325 1.00 85.68 7 A 1 ATOM 61 C CZ . TYR A 1 7 ? -3.448 3.031 8.945 1.00 85.31 7 A 1 ATOM 62 O OH . TYR A 1 7 ? -4.182 2.376 9.900 1.00 80.95 7 A 1 ATOM 63 N N . ILE A 1 8 ? 1.021 2.923 5.936 1.00 97.90 8 A 1 ATOM 64 C CA . ILE A 1 8 ? 1.381 1.578 5.471 1.00 98.14 8 A 1 ATOM 65 C C . ILE A 1 8 ? 0.530 0.566 6.230 1.00 98.10 8 A 1 ATOM 66 O O . ILE A 1 8 ? 0.750 0.351 7.419 1.00 97.82 8 A 1 ATOM 67 C CB . ILE A 1 8 ? 2.894 1.294 5.613 1.00 98.15 8 A 1 ATOM 68 C CG1 . ILE A 1 8 ? 3.725 2.385 4.893 1.00 97.16 8 A 1 ATOM 69 C CG2 . ILE A 1 8 ? 3.216 -0.106 5.055 1.00 97.54 8 A 1 ATOM 70 C CD1 . ILE A 1 8 ? 5.241 2.177 4.961 1.00 94.68 8 A 1 ATOM 71 N N . SER A 1 9 ? -0.411 -0.067 5.532 1.00 98.41 9 A 1 ATOM 72 C CA . SER A 1 9 ? -1.188 -1.195 6.039 1.00 98.50 9 A 1 ATOM 73 C C . SER A 1 9 ? -0.522 -2.505 5.627 1.00 98.59 9 A 1 ATOM 74 O O . SER A 1 9 ? -0.238 -2.717 4.444 1.00 98.48 9 A 1 ATOM 75 C CB . SER A 1 9 ? -2.627 -1.124 5.527 1.00 98.34 9 A 1 ATOM 76 O OG . SER A 1 9 ? -3.382 -2.218 6.012 1.00 97.58 9 A 1 ATOM 77 N N . TYR A 1 10 ? -0.280 -3.381 6.595 1.00 98.55 10 A 1 ATOM 78 C CA . TYR A 1 10 ? 0.300 -4.702 6.370 1.00 98.62 10 A 1 ATOM 79 C C . TYR A 1 10 ? -0.215 -5.692 7.417 1.00 98.50 10 A 1 ATOM 80 O O . TYR A 1 10 ? -0.731 -5.290 8.456 1.00 98.21 10 A 1 ATOM 81 C CB . TYR A 1 10 ? 1.837 -4.615 6.390 1.00 98.59 10 A 1 ATOM 82 C CG . TYR A 1 10 ? 2.458 -4.325 7.742 1.00 98.59 10 A 1 ATOM 83 C CD1 . TYR A 1 10 ? 2.424 -3.021 8.289 1.00 98.38 10 A 1 ATOM 84 C CD2 . TYR A 1 10 ? 3.076 -5.357 8.473 1.00 98.31 10 A 1 ATOM 85 C CE1 . TYR A 1 10 ? 2.987 -2.755 9.545 1.00 97.93 10 A 1 ATOM 86 C CE2 . TYR A 1 10 ? 3.648 -5.101 9.734 1.00 97.84 10 A 1 ATOM 87 C CZ . TYR A 1 10 ? 3.598 -3.799 10.264 1.00 97.71 10 A 1 ATOM 88 O OH . TYR A 1 10 ? 4.147 -3.549 11.501 1.00 96.61 10 A 1 ATOM 89 N N . VAL A 1 11 ? -0.074 -7.001 7.162 1.00 98.33 11 A 1 ATOM 90 C CA . VAL A 1 11 ? -0.395 -8.034 8.151 1.00 98.11 11 A 1 ATOM 91 C C . VAL A 1 11 ? 0.856 -8.421 8.936 1.00 98.12 11 A 1 ATOM 92 O O . VAL A 1 11 ? 1.963 -8.486 8.390 1.00 97.25 11 A 1 ATOM 93 C CB . VAL A 1 11 ? -1.104 -9.228 7.485 1.00 96.87 11 A 1 ATOM 94 C CG1 . VAL A 1 11 ? -0.198 -10.024 6.554 1.00 89.25 11 A 1 ATOM 95 C CG2 . VAL A 1 11 ? -1.709 -10.169 8.527 1.00 92.22 11 A 1 ATOM 96 N N . ASN A 1 12 ? 0.702 -8.665 10.240 1.00 97.48 12 A 1 ATOM 97 C CA . ASN A 1 12 ? 1.818 -8.957 11.140 1.00 96.92 12 A 1 ATOM 98 C C . ASN A 1 12 ? 2.233 -10.440 11.115 1.00 96.52 12 A 1 ATOM 99 O O . ASN A 1 12 ? 2.192 -11.140 12.128 1.00 94.17 12 A 1 ATOM 100 C CB . ASN A 1 12 ? 1.474 -8.421 12.540 1.00 95.10 12 A 1 ATOM 101 C CG . ASN A 1 12 ? 2.676 -8.353 13.474 1.00 92.99 12 A 1 ATOM 102 O OD1 . ASN A 1 12 ? 3.807 -8.694 13.156 1.00 87.87 12 A 1 ATOM 103 N ND2 . ASN A 1 12 ? 2.454 -7.856 14.672 1.00 85.39 12 A 1 ATOM 104 N N . ASN A 1 13 ? 2.666 -10.931 9.959 1.00 97.10 13 A 1 ATOM 105 C CA . ASN A 1 13 ? 3.418 -12.176 9.849 1.00 96.43 13 A 1 ATOM 106 C C . ASN A 1 13 ? 4.923 -11.886 9.740 1.00 97.06 13 A 1 ATOM 107 O O . ASN A 1 13 ? 5.355 -10.744 9.560 1.00 96.15 13 A 1 ATOM 108 C CB . ASN A 1 13 ? 2.844 -13.042 8.710 1.00 93.81 13 A 1 ATOM 109 C CG . ASN A 1 13 ? 3.200 -12.540 7.327 1.00 92.57 13 A 1 ATOM 110 O OD1 . ASN A 1 13 ? 4.326 -12.179 7.030 1.00 85.37 13 A 1 ATOM 111 N ND2 . ASN A 1 13 ? 2.254 -12.544 6.419 1.00 85.38 13 A 1 ATOM 112 N N . GLU A 1 14 ? 5.747 -12.929 9.871 1.00 97.05 14 A 1 ATOM 113 C CA . GLU A 1 14 ? 7.199 -12.745 9.903 1.00 97.07 14 A 1 ATOM 114 C C . GLU A 1 14 ? 7.758 -12.142 8.603 1.00 97.11 14 A 1 ATOM 115 O O . GLU A 1 14 ? 8.594 -11.231 8.649 1.00 96.22 14 A 1 ATOM 116 C CB . GLU A 1 14 ? 7.864 -14.093 10.217 1.00 96.42 14 A 1 ATOM 117 C CG . GLU A 1 14 ? 9.373 -13.917 10.411 1.00 89.86 14 A 1 ATOM 118 C CD . GLU A 1 14 ? 10.126 -15.207 10.728 1.00 84.95 14 A 1 ATOM 119 O OE1 . GLU A 1 14 ? 11.373 -15.091 10.831 1.00 79.54 14 A 1 ATOM 120 O OE2 . GLU A 1 14 ? 9.506 -16.276 10.838 1.00 79.01 14 A 1 ATOM 121 N N . ASN A 1 15 ? 7.299 -12.633 7.444 1.00 96.72 15 A 1 ATOM 122 C CA . ASN A 1 15 ? 7.786 -12.183 6.144 1.00 96.43 15 A 1 ATOM 123 C C . ASN A 1 15 ? 7.422 -10.718 5.881 1.00 97.20 15 A 1 ATOM 124 O O . ASN A 1 15 ? 8.294 -9.897 5.577 1.00 97.11 15 A 1 ATOM 125 C CB . ASN A 1 15 ? 7.222 -13.111 5.059 1.00 94.83 15 A 1 ATOM 126 C CG . ASN A 1 15 ? 7.729 -12.710 3.688 1.00 80.94 15 A 1 ATOM 127 O OD1 . ASN A 1 15 ? 8.910 -12.797 3.403 1.00 71.07 15 A 1 ATOM 128 N ND2 . ASN A 1 15 ? 6.861 -12.230 2.822 1.00 69.50 15 A 1 ATOM 129 N N . ASP A 1 16 ? 6.155 -10.376 6.059 1.00 97.65 16 A 1 ATOM 130 C CA . ASP A 1 16 ? 5.641 -9.043 5.745 1.00 98.15 16 A 1 ATOM 131 C C . ASP A 1 16 ? 6.160 -8.013 6.748 1.00 98.35 16 A 1 ATOM 132 O O . ASP A 1 16 ? 6.592 -6.926 6.356 1.00 98.24 16 A 1 ATOM 133 C CB . ASP A 1 16 ? 4.105 -9.075 5.714 1.00 97.97 16 A 1 ATOM 134 C CG . ASP A 1 16 ? 3.527 -9.979 4.621 1.00 97.63 16 A 1 ATOM 135 O OD1 . ASP A 1 16 ? 4.289 -10.608 3.849 1.00 96.10 16 A 1 ATOM 136 O OD2 . ASP A 1 16 ? 2.286 -10.060 4.553 1.00 95.53 16 A 1 ATOM 137 N N . ARG A 1 17 ? 6.247 -8.379 8.037 1.00 98.25 17 A 1 ATOM 138 C CA . ARG A 1 17 ? 6.871 -7.544 9.068 1.00 98.19 17 A 1 ATOM 139 C C . ARG A 1 17 ? 8.344 -7.266 8.762 1.00 98.22 17 A 1 ATOM 140 O O . ARG A 1 17 ? 8.789 -6.126 8.906 1.00 97.87 17 A 1 ATOM 141 C CB . ARG A 1 17 ? 6.695 -8.213 10.441 1.00 97.38 17 A 1 ATOM 142 C CG . ARG A 1 17 ? 7.255 -7.351 11.579 1.00 92.93 17 A 1 ATOM 143 C CD . ARG A 1 17 ? 6.968 -7.988 12.942 1.00 89.62 17 A 1 ATOM 144 N NE . ARG A 1 17 ? 7.652 -9.285 13.105 1.00 79.97 17 A 1 ATOM 145 C CZ . ARG A 1 17 ? 7.198 -10.337 13.770 1.00 72.25 17 A 1 ATOM 146 N NH1 . ARG A 1 17 ? 6.053 -10.316 14.393 1.00 64.46 17 A 1 ATOM 147 N NH2 . ARG A 1 17 ? 7.898 -11.434 13.827 1.00 64.75 17 A 1 ATOM 148 N N . LYS A 1 18 ? 9.104 -8.275 8.328 1.00 98.19 18 A 1 ATOM 149 C CA . LYS A 1 18 ? 10.499 -8.092 7.897 1.00 98.05 18 A 1 ATOM 150 C C . LYS A 1 18 ? 10.584 -7.181 6.673 1.00 98.11 18 A 1 ATOM 151 O O . LYS A 1 18 ? 11.373 -6.236 6.681 1.00 97.83 18 A 1 ATOM 152 C CB . LYS A 1 18 ? 11.163 -9.450 7.610 1.00 97.73 18 A 1 ATOM 153 C CG . LYS A 1 18 ? 11.602 -10.170 8.896 1.00 93.28 18 A 1 ATOM 154 C CD . LYS A 1 18 ? 12.176 -11.555 8.560 1.00 90.46 18 A 1 ATOM 155 C CE . LYS A 1 18 ? 12.661 -12.259 9.828 1.00 82.31 18 A 1 ATOM 156 N NZ . LYS A 1 18 ? 13.088 -13.662 9.569 1.00 75.19 18 A 1 ATOM 157 N N . PHE A 1 19 ? 9.751 -7.408 5.663 1.00 98.05 19 A 1 ATOM 158 C CA . PHE A 1 19 ? 9.715 -6.564 4.469 1.00 98.17 19 A 1 ATOM 159 C C . PHE A 1 19 ? 9.424 -5.095 4.814 1.00 98.23 19 A 1 ATOM 160 O O . PHE A 1 19 ? 10.173 -4.201 4.415 1.00 98.17 19 A 1 ATOM 161 C CB . PHE A 1 19 ? 8.681 -7.119 3.484 1.00 98.11 19 A 1 ATOM 162 C CG . PHE A 1 19 ? 8.463 -6.215 2.289 1.00 98.28 19 A 1 ATOM 163 C CD1 . PHE A 1 19 ? 7.304 -5.421 2.196 1.00 98.12 19 A 1 ATOM 164 C CD2 . PHE A 1 19 ? 9.449 -6.120 1.291 1.00 98.14 19 A 1 ATOM 165 C CE1 . PHE A 1 19 ? 7.127 -4.548 1.108 1.00 97.94 19 A 1 ATOM 166 C CE2 . PHE A 1 19 ? 9.277 -5.250 0.202 1.00 97.87 19 A 1 ATOM 167 C CZ . PHE A 1 19 ? 8.116 -4.465 0.112 1.00 97.99 19 A 1 ATOM 168 N N . VAL A 1 20 ? 8.392 -4.845 5.619 1.00 98.53 20 A 1 ATOM 169 C CA . VAL A 1 20 ? 8.014 -3.482 6.009 1.00 98.57 20 A 1 ATOM 170 C C . VAL A 1 20 ? 9.098 -2.820 6.860 1.00 98.47 20 A 1 ATOM 171 O O . VAL A 1 20 ? 9.538 -1.720 6.530 1.00 98.32 20 A 1 ATOM 172 C CB . VAL A 1 20 ? 6.647 -3.478 6.717 1.00 98.53 20 A 1 ATOM 173 C CG1 . VAL A 1 20 ? 6.301 -2.112 7.319 1.00 97.99 20 A 1 ATOM 174 C CG2 . VAL A 1 20 ? 5.540 -3.825 5.712 1.00 98.06 20 A 1 ATOM 175 N N . ASN A 1 21 ? 9.560 -3.480 7.932 1.00 98.38 21 A 1 ATOM 176 C CA . ASN A 1 21 ? 10.451 -2.845 8.907 1.00 98.12 21 A 1 ATOM 177 C C . ASN A 1 21 ? 11.920 -2.788 8.483 1.00 98.02 21 A 1 ATOM 178 O O . ASN A 1 21 ? 12.627 -1.873 8.905 1.00 97.21 21 A 1 ATOM 179 C CB . ASN A 1 21 ? 10.300 -3.531 10.269 1.00 97.56 21 A 1 ATOM 180 C CG . ASN A 1 21 ? 8.974 -3.183 10.918 1.00 94.52 21 A 1 ATOM 181 O OD1 . ASN A 1 21 ? 8.763 -2.075 11.378 1.00 85.00 21 A 1 ATOM 182 N ND2 . ASN A 1 21 ? 8.040 -4.105 10.945 1.00 82.46 21 A 1 ATOM 183 N N . PHE A 1 22 ? 12.392 -3.735 7.665 1.00 97.90 22 A 1 ATOM 184 C CA . PHE A 1 22 ? 13.807 -3.819 7.284 1.00 97.72 22 A 1 ATOM 185 C C . PHE A 1 22 ? 14.090 -3.414 5.838 1.00 97.64 22 A 1 ATOM 186 O O . PHE A 1 22 ? 15.248 -3.158 5.509 1.00 96.67 22 A 1 ATOM 187 C CB . PHE A 1 22 ? 14.351 -5.221 7.594 1.00 97.28 22 A 1 ATOM 188 C CG . PHE A 1 22 ? 14.249 -5.621 9.052 1.00 95.42 22 A 1 ATOM 189 C CD1 . PHE A 1 22 ? 14.844 -4.828 10.050 1.00 91.17 22 A 1 ATOM 190 C CD2 . PHE A 1 22 ? 13.563 -6.792 9.423 1.00 90.45 22 A 1 ATOM 191 C CE1 . PHE A 1 22 ? 14.752 -5.200 11.401 1.00 88.35 22 A 1 ATOM 192 C CE2 . PHE A 1 22 ? 13.471 -7.167 10.772 1.00 87.70 22 A 1 ATOM 193 C CZ . PHE A 1 22 ? 14.065 -6.369 11.758 1.00 87.45 22 A 1 ATOM 194 N N . ILE A 1 23 ? 13.075 -3.318 4.978 1.00 97.97 23 A 1 ATOM 195 C CA . ILE A 1 23 ? 13.256 -2.960 3.569 1.00 97.92 23 A 1 ATOM 196 C C . ILE A 1 23 ? 12.473 -1.690 3.230 1.00 98.02 23 A 1 ATOM 197 O O . ILE A 1 23 ? 13.074 -0.665 2.898 1.00 97.78 23 A 1 ATOM 198 C CB . ILE A 1 23 ? 12.923 -4.152 2.639 1.00 97.75 23 A 1 ATOM 199 C CG1 . ILE A 1 23 ? 13.773 -5.399 3.001 1.00 96.99 23 A 1 ATOM 200 C CG2 . ILE A 1 23 ? 13.134 -3.738 1.173 1.00 97.11 23 A 1 ATOM 201 C CD1 . ILE A 1 23 ? 13.437 -6.656 2.193 1.00 94.06 23 A 1 ATOM 202 N N . LEU A 1 24 ? 11.142 -1.729 3.319 1.00 98.11 24 A 1 ATOM 203 C CA . LEU A 1 24 ? 10.291 -0.638 2.847 1.00 98.18 24 A 1 ATOM 204 C C . LEU A 1 24 ? 10.468 0.631 3.687 1.00 98.11 24 A 1 ATOM 205 O O . LEU A 1 24 ? 10.823 1.685 3.148 1.00 97.93 24 A 1 ATOM 206 C CB . LEU A 1 24 ? 8.831 -1.129 2.822 1.00 98.19 24 A 1 ATOM 207 C CG . LEU A 1 24 ? 7.830 -0.103 2.259 1.00 97.61 24 A 1 ATOM 208 C CD1 . LEU A 1 24 ? 8.105 0.214 0.790 1.00 97.31 24 A 1 ATOM 209 C CD2 . LEU A 1 24 ? 6.413 -0.659 2.383 1.00 97.36 24 A 1 ATOM 210 N N . LYS A 1 25 ? 10.263 0.525 5.002 1.00 98.21 25 A 1 ATOM 211 C CA . LYS A 1 25 ? 10.375 1.650 5.933 1.00 98.09 25 A 1 ATOM 212 C C . LYS A 1 25 ? 11.765 2.300 5.900 1.00 97.92 25 A 1 ATOM 213 O O . LYS A 1 25 ? 11.823 3.497 5.622 1.00 97.70 25 A 1 ATOM 214 C CB . LYS A 1 25 ? 9.911 1.216 7.336 1.00 97.79 25 A 1 ATOM 215 C CG . LYS A 1 25 ? 10.140 2.303 8.388 1.00 95.47 25 A 1 ATOM 216 C CD . LYS A 1 25 ? 9.748 1.836 9.791 1.00 92.78 25 A 1 ATOM 217 C CE . LYS A 1 25 ? 10.114 2.977 10.749 1.00 85.11 25 A 1 ATOM 218 N NZ . LYS A 1 25 ? 9.956 2.621 12.176 1.00 78.63 25 A 1 ATOM 219 N N . PRO A 1 26 ? 12.879 1.559 6.074 1.00 97.86 26 A 1 ATOM 220 C CA . PRO A 1 26 ? 14.203 2.181 6.071 1.00 97.51 26 A 1 ATOM 221 C C . PRO A 1 26 ? 14.532 2.883 4.759 1.00 97.23 26 A 1 ATOM 222 O O . PRO A 1 26 ? 15.143 3.947 4.768 1.00 96.57 26 A 1 ATOM 223 C CB . PRO A 1 26 ? 15.197 1.055 6.350 1.00 96.99 26 A 1 ATOM 224 C CG . PRO A 1 26 ? 14.364 0.034 7.105 1.00 95.30 26 A 1 ATOM 225 C CD . PRO A 1 26 ? 13.007 0.157 6.433 1.00 97.59 26 A 1 ATOM 226 N N . HIS A 1 27 ? 14.110 2.336 3.618 1.00 97.27 27 A 1 ATOM 227 C CA . HIS A 1 27 ? 14.359 2.976 2.331 1.00 96.84 27 A 1 ATOM 228 C C . HIS A 1 27 ? 13.567 4.280 2.182 1.00 96.58 27 A 1 ATOM 229 O O . HIS A 1 27 ? 14.130 5.311 1.803 1.00 96.01 27 A 1 ATOM 230 C CB . HIS A 1 27 ? 14.052 1.993 1.203 1.00 96.31 27 A 1 ATOM 231 C CG . HIS A 1 27 ? 14.687 2.378 -0.101 1.00 92.64 27 A 1 ATOM 232 N ND1 . HIS A 1 27 ? 15.774 1.741 -0.676 1.00 78.38 27 A 1 ATOM 233 C CD2 . HIS A 1 27 ? 14.316 3.370 -0.965 1.00 79.59 27 A 1 ATOM 234 C CE1 . HIS A 1 27 ? 16.017 2.322 -1.860 1.00 80.89 27 A 1 ATOM 235 N NE2 . HIS A 1 27 ? 15.166 3.324 -2.065 1.00 82.28 27 A 1 ATOM 236 N N . LEU A 1 28 ? 12.278 4.256 2.516 1.00 97.29 28 A 1 ATOM 237 C CA . LEU A 1 28 ? 11.434 5.448 2.432 1.00 97.07 28 A 1 ATOM 238 C C . LEU A 1 28 ? 11.847 6.533 3.439 1.00 96.50 28 A 1 ATOM 239 O O . LEU A 1 28 ? 11.866 7.710 3.084 1.00 95.79 28 A 1 ATOM 240 C CB . LEU A 1 28 ? 9.963 5.048 2.623 1.00 97.28 28 A 1 ATOM 241 C CG . LEU A 1 28 ? 9.348 4.233 1.468 1.00 96.75 28 A 1 ATOM 242 C CD1 . LEU A 1 28 ? 7.915 3.852 1.827 1.00 96.00 28 A 1 ATOM 243 C CD2 . LEU A 1 28 ? 9.316 5.017 0.157 1.00 95.73 28 A 1 ATOM 244 N N . GLU A 1 29 ? 12.213 6.154 4.658 1.00 97.23 29 A 1 ATOM 245 C CA . GLU A 1 29 ? 12.639 7.107 5.691 1.00 96.97 29 A 1 ATOM 246 C C . GLU A 1 29 ? 14.053 7.645 5.441 1.00 96.15 29 A 1 ATOM 247 O O . GLU A 1 29 ? 14.247 8.856 5.376 1.00 94.97 29 A 1 ATOM 248 C CB . GLU A 1 29 ? 12.538 6.473 7.084 1.00 97.03 29 A 1 ATOM 249 C CG . GLU A 1 29 ? 11.082 6.279 7.519 1.00 96.01 29 A 1 ATOM 250 C CD . GLU A 1 29 ? 10.923 5.696 8.930 1.00 95.70 29 A 1 ATOM 251 O OE1 . GLU A 1 29 ? 9.826 5.852 9.514 1.00 93.15 29 A 1 ATOM 252 O OE2 . GLU A 1 29 ? 11.850 5.031 9.443 1.00 93.62 29 A 1 ATOM 253 N N . ASN A 1 30 ? 15.032 6.766 5.253 1.00 96.12 30 A 1 ATOM 254 C CA . ASN A 1 30 ? 16.440 7.167 5.219 1.00 95.27 30 A 1 ATOM 255 C C . ASN A 1 30 ? 16.872 7.707 3.856 1.00 94.15 30 A 1 ATOM 256 O O . ASN A 1 30 ? 17.730 8.581 3.778 1.00 92.13 30 A 1 ATOM 257 C CB . ASN A 1 30 ? 17.326 5.981 5.628 1.00 94.75 30 A 1 ATOM 258 C CG . ASN A 1 30 ? 17.006 5.451 7.015 1.00 91.99 30 A 1 ATOM 259 O OD1 . ASN A 1 30 ? 16.516 6.143 7.883 1.00 86.62 30 A 1 ATOM 260 N ND2 . ASN A 1 30 ? 17.287 4.192 7.265 1.00 85.02 30 A 1 ATOM 261 N N . LYS A 1 31 ? 16.304 7.171 2.756 1.00 94.36 31 A 1 ATOM 262 C CA . LYS A 1 31 ? 16.724 7.541 1.403 1.00 92.72 31 A 1 ATOM 263 C C . LYS A 1 31 ? 15.833 8.605 0.772 1.00 91.94 31 A 1 ATOM 264 O O . LYS A 1 31 ? 16.330 9.480 0.070 1.00 89.52 31 A 1 ATOM 265 C CB . LYS A 1 31 ? 16.814 6.276 0.555 1.00 91.52 31 A 1 ATOM 266 C CG . LYS A 1 31 ? 17.707 6.487 -0.658 1.00 84.81 31 A 1 ATOM 267 C CD . LYS A 1 31 ? 17.868 5.163 -1.385 1.00 78.63 31 A 1 ATOM 268 C CE . LYS A 1 31 ? 18.996 5.281 -2.400 1.00 71.31 31 A 1 ATOM 269 N NZ . LYS A 1 31 ? 19.599 3.963 -2.630 1.00 63.14 31 A 1 ATOM 270 N N . TYR A 1 32 ? 14.531 8.534 1.040 1.00 93.28 32 A 1 ATOM 271 C CA . TYR A 1 32 ? 13.578 9.543 0.578 1.00 92.44 32 A 1 ATOM 272 C C . TYR A 1 32 ? 13.125 10.494 1.694 1.00 92.43 32 A 1 ATOM 273 O O . TYR A 1 32 ? 12.306 11.379 1.447 1.00 90.59 32 A 1 ATOM 274 C CB . TYR A 1 32 ? 12.409 8.853 -0.135 1.00 91.17 32 A 1 ATOM 275 C CG . TYR A 1 32 ? 12.805 7.960 -1.296 1.00 88.70 32 A 1 ATOM 276 C CD1 . TYR A 1 32 ? 13.632 8.451 -2.326 1.00 84.08 32 A 1 ATOM 277 C CD2 . TYR A 1 32 ? 12.328 6.639 -1.371 1.00 83.85 32 A 1 ATOM 278 C CE1 . TYR A 1 32 ? 13.984 7.633 -3.412 1.00 81.24 32 A 1 ATOM 279 C CE2 . TYR A 1 32 ? 12.671 5.816 -2.456 1.00 81.14 32 A 1 ATOM 280 C CZ . TYR A 1 32 ? 13.500 6.317 -3.476 1.00 81.15 32 A 1 ATOM 281 O OH . TYR A 1 32 ? 13.839 5.519 -4.538 1.00 77.34 32 A 1 ATOM 282 N N . SER A 1 33 ? 13.634 10.327 2.915 1.00 94.09 33 A 1 ATOM 283 C CA . SER A 1 33 ? 13.316 11.092 4.128 1.00 94.51 33 A 1 ATOM 284 C C . SER A 1 33 ? 11.825 11.099 4.511 1.00 95.17 33 A 1 ATOM 285 O O . SER A 1 33 ? 11.425 11.887 5.359 1.00 93.53 33 A 1 ATOM 286 C CB . SER A 1 33 ? 13.905 12.501 4.059 1.00 93.02 33 A 1 ATOM 287 O OG . SER A 1 33 ? 15.274 12.475 3.722 1.00 84.80 33 A 1 ATOM 288 N N . HIS A 1 34 ? 10.975 10.242 3.903 1.00 95.90 34 A 1 ATOM 289 C CA . HIS A 1 34 ? 9.528 10.239 4.122 1.00 96.53 34 A 1 ATOM 290 C C . HIS A 1 34 ? 9.151 9.955 5.580 1.00 96.88 34 A 1 ATOM 291 O O . HIS A 1 34 ? 9.785 9.154 6.253 1.00 96.56 34 A 1 ATOM 292 C CB . HIS A 1 34 ? 8.846 9.248 3.179 1.00 96.20 34 A 1 ATOM 293 C CG . HIS A 1 34 ? 8.764 9.743 1.764 1.00 95.71 34 A 1 ATOM 294 N ND1 . HIS A 1 34 ? 8.204 10.936 1.353 1.00 88.32 34 A 1 ATOM 295 C CD2 . HIS A 1 34 ? 9.206 9.105 0.630 1.00 88.53 34 A 1 ATOM 296 C CE1 . HIS A 1 34 ? 8.307 11.009 0.018 1.00 89.75 34 A 1 ATOM 297 N NE2 . HIS A 1 34 ? 8.909 9.916 -0.457 1.00 90.90 34 A 1 ATOM 298 N N . LYS A 1 35 ? 8.078 10.612 6.063 1.00 96.98 35 A 1 ATOM 299 C CA . LYS A 1 35 ? 7.463 10.313 7.356 1.00 97.01 35 A 1 ATOM 300 C C . LYS A 1 35 ? 6.353 9.295 7.148 1.00 97.27 35 A 1 ATOM 301 O O . LYS A 1 35 ? 5.443 9.532 6.354 1.00 96.80 35 A 1 ATOM 302 C CB . LYS A 1 35 ? 6.927 11.584 8.015 1.00 96.21 35 A 1 ATOM 303 C CG . LYS A 1 35 ? 8.056 12.545 8.414 1.00 87.64 35 A 1 ATOM 304 C CD . LYS A 1 35 ? 7.470 13.755 9.145 1.00 82.42 35 A 1 ATOM 305 C CE . LYS A 1 35 ? 8.590 14.705 9.568 1.00 71.72 35 A 1 ATOM 306 N NZ . LYS A 1 35 ? 8.059 15.859 10.334 1.00 63.65 35 A 1 ATOM 307 N N . LEU A 1 36 ? 6.419 8.174 7.870 1.00 97.54 36 A 1 ATOM 308 C CA . LEU A 1 36 ? 5.522 7.038 7.692 1.00 97.61 36 A 1 ATOM 309 C C . LEU A 1 36 ? 4.697 6.793 8.951 1.00 97.45 36 A 1 ATOM 310 O O . LEU A 1 36 ? 5.165 7.011 10.067 1.00 96.98 36 A 1 ATOM 311 C CB . LEU A 1 36 ? 6.332 5.788 7.309 1.00 97.61 36 A 1 ATOM 312 C CG . LEU A 1 36 ? 7.259 5.958 6.091 1.00 97.24 36 A 1 ATOM 313 C CD1 . LEU A 1 36 ? 8.037 4.669 5.874 1.00 96.74 36 A 1 ATOM 314 C CD2 . LEU A 1 36 ? 6.488 6.289 4.809 1.00 96.60 36 A 1 ATOM 315 N N . LEU A 1 37 ? 3.472 6.304 8.755 1.00 97.37 37 A 1 ATOM 316 C CA . LEU A 1 37 ? 2.649 5.721 9.803 1.00 97.12 37 A 1 ATOM 317 C C . LEU A 1 37 ? 2.402 4.257 9.438 1.00 97.33 37 A 1 ATOM 318 O O . LEU A 1 37 ? 1.896 3.980 8.354 1.00 96.75 37 A 1 ATOM 319 C CB . LEU A 1 37 ? 1.360 6.542 9.935 1.00 96.00 37 A 1 ATOM 320 C CG . LEU A 1 37 ? 0.437 6.082 11.079 1.00 89.73 37 A 1 ATOM 321 C CD1 . LEU A 1 37 ? 1.084 6.256 12.452 1.00 87.36 37 A 1 ATOM 322 C CD2 . LEU A 1 37 ? -0.831 6.933 11.050 1.00 87.20 37 A 1 ATOM 323 N N . LEU A 1 38 ? 2.790 3.334 10.321 1.00 97.36 38 A 1 ATOM 324 C CA . LEU A 1 38 ? 2.627 1.897 10.103 1.00 97.15 38 A 1 ATOM 325 C C . LEU A 1 38 ? 1.426 1.399 10.894 1.00 96.51 38 A 1 ATOM 326 O O . LEU A 1 38 ? 1.215 1.840 12.024 1.00 95.25 38 A 1 ATOM 327 C CB . LEU A 1 38 ? 3.908 1.142 10.501 1.00 96.96 38 A 1 ATOM 328 C CG . LEU A 1 38 ? 5.021 1.135 9.433 1.00 95.19 38 A 1 ATOM 329 C CD1 . LEU A 1 38 ? 5.608 2.517 9.135 1.00 91.80 38 A 1 ATOM 330 C CD2 . LEU A 1 38 ? 6.168 0.240 9.901 1.00 90.82 38 A 1 ATOM 331 N N . ASN A 1 39 ? 0.654 0.469 10.313 1.00 96.77 39 A 1 ATOM 332 C CA . ASN A 1 39 ? -0.442 -0.216 10.985 1.00 96.66 39 A 1 ATOM 333 C C . ASN A 1 39 ? -0.500 -1.676 10.515 1.00 97.41 39 A 1 ATOM 334 O O . ASN A 1 39 ? -0.579 -1.941 9.318 1.00 97.01 39 A 1 ATOM 335 C CB . ASN A 1 39 ? -1.745 0.552 10.713 1.00 94.35 39 A 1 ATOM 336 C CG . ASN A 1 39 ? -2.912 0.044 11.543 1.00 90.17 39 A 1 ATOM 337 O OD1 . ASN A 1 39 ? -2.932 -1.062 12.025 1.00 79.15 39 A 1 ATOM 338 N ND2 . ASN A 1 39 ? -3.925 0.855 11.745 1.00 78.28 39 A 1 ATOM 339 N N . ASP A 1 40 ? -0.456 -2.598 11.470 1.00 97.36 40 A 1 ATOM 340 C CA . ASP A 1 40 ? -0.535 -4.045 11.264 1.00 97.33 40 A 1 ATOM 341 C C . ASP A 1 40 ? -1.895 -4.632 11.665 1.00 97.14 40 A 1 ATOM 342 O O . ASP A 1 40 ? -2.065 -5.850 11.711 1.00 95.45 40 A 1 ATOM 343 C CB . ASP A 1 40 ? 0.642 -4.734 11.974 1.00 96.77 40 A 1 ATOM 344 C CG . ASP A 1 40 ? 0.665 -4.607 13.500 1.00 96.12 40 A 1 ATOM 345 O OD1 . ASP A 1 40 ? -0.060 -3.757 14.055 1.00 93.83 40 A 1 ATOM 346 O OD2 . ASP A 1 40 ? 1.480 -5.342 14.107 1.00 92.31 40 A 1 ATOM 347 N N . THR A 1 41 ? -2.887 -3.779 11.924 1.00 96.36 41 A 1 ATOM 348 C CA . THR A 1 41 ? -4.246 -4.182 12.288 1.00 95.77 41 A 1 ATOM 349 C C . THR A 1 41 ? -5.168 -4.222 11.067 1.00 96.20 41 A 1 ATOM 350 O O . THR A 1 41 ? -4.876 -3.666 10.003 1.00 94.69 41 A 1 ATOM 351 C CB . THR A 1 41 ? -4.838 -3.300 13.402 1.00 93.77 41 A 1 ATOM 352 O OG1 . THR A 1 41 ? -5.196 -2.029 12.921 1.00 86.79 41 A 1 ATOM 353 C CG2 . THR A 1 41 ? -3.906 -3.132 14.598 1.00 85.46 41 A 1 ATOM 354 N N . ASN A 1 42 ? -6.332 -4.887 11.216 1.00 95.97 42 A 1 ATOM 355 C CA . ASN A 1 42 ? -7.356 -4.901 10.178 1.00 96.36 42 A 1 ATOM 356 C C . ASN A 1 42 ? -7.964 -3.499 10.003 1.00 96.65 42 A 1 ATOM 357 O O . ASN A 1 42 ? -8.686 -3.006 10.866 1.00 95.94 42 A 1 ATOM 358 C CB . ASN A 1 42 ? -8.413 -5.965 10.525 1.00 95.39 42 A 1 ATOM 359 C CG . ASN A 1 42 ? -9.466 -6.109 9.437 1.00 94.80 42 A 1 ATOM 360 O OD1 . ASN A 1 42 ? -9.421 -5.476 8.397 1.00 92.33 42 A 1 ATOM 361 N ND2 . ASN A 1 42 ? -10.445 -6.964 9.649 1.00 91.04 42 A 1 ATOM 362 N N . ILE A 1 43 ? -7.705 -2.869 8.855 1.00 97.29 43 A 1 ATOM 363 C CA . ILE A 1 43 ? -8.204 -1.524 8.530 1.00 97.29 43 A 1 ATOM 364 C C . ILE A 1 43 ? -9.664 -1.506 8.056 1.00 97.58 43 A 1 ATOM 365 O O . ILE A 1 43 ? -10.263 -0.435 8.003 1.00 97.03 43 A 1 ATOM 366 C CB . ILE A 1 43 ? -7.281 -0.828 7.508 1.00 96.90 43 A 1 ATOM 367 C CG1 . ILE A 1 43 ? -7.138 -1.617 6.188 1.00 95.72 43 A 1 ATOM 368 C CG2 . ILE A 1 43 ? -5.913 -0.554 8.166 1.00 93.65 43 A 1 ATOM 369 C CD1 . ILE A 1 43 ? -6.460 -0.819 5.064 1.00 95.34 43 A 1 ATOM 370 N N . LEU A 1 44 ? -10.229 -2.663 7.701 1.00 97.47 44 A 1 ATOM 371 C CA . LEU A 1 44 ? -11.570 -2.816 7.128 1.00 97.54 44 A 1 ATOM 372 C C . LEU A 1 44 ? -12.346 -3.960 7.812 1.00 97.39 44 A 1 ATOM 373 O O . LEU A 1 44 ? -12.758 -4.911 7.145 1.00 96.26 44 A 1 ATOM 374 C CB . LEU A 1 44 ? -11.446 -3.036 5.607 1.00 97.23 44 A 1 ATOM 375 C CG . LEU A 1 44 ? -10.981 -1.813 4.798 1.00 96.68 44 A 1 ATOM 376 C CD1 . LEU A 1 44 ? -10.584 -2.242 3.396 1.00 95.59 44 A 1 ATOM 377 C CD2 . LEU A 1 44 ? -12.102 -0.778 4.660 1.00 95.80 44 A 1 ATOM 378 N N . PRO A 1 45 ? -12.558 -3.919 9.150 1.00 97.06 45 A 1 ATOM 379 C CA . PRO A 1 45 ? -13.337 -4.949 9.829 1.00 96.38 45 A 1 ATOM 380 C C . PRO A 1 45 ? -14.765 -4.973 9.267 1.00 96.12 45 A 1 ATOM 381 O O . PRO A 1 45 ? -15.431 -3.939 9.201 1.00 93.85 45 A 1 ATOM 382 C CB . PRO A 1 45 ? -13.293 -4.583 11.318 1.00 95.58 45 A 1 ATOM 383 C CG . PRO A 1 45 ? -13.075 -3.068 11.314 1.00 94.09 45 A 1 ATOM 384 C CD . PRO A 1 45 ? -12.199 -2.859 10.078 1.00 96.71 45 A 1 ATOM 385 N N . GLY A 1 46 ? -15.226 -6.149 8.823 1.00 95.68 46 A 1 ATOM 386 C CA . GLY A 1 46 ? -16.528 -6.291 8.153 1.00 94.88 46 A 1 ATOM 387 C C . GLY A 1 46 ? -16.625 -5.580 6.790 1.00 95.60 46 A 1 ATOM 388 O O . GLY A 1 46 ? -17.720 -5.258 6.344 1.00 92.86 46 A 1 ATOM 389 N N . ALA A 1 47 ? -15.483 -5.317 6.153 1.00 95.14 47 A 1 ATOM 390 C CA . ALA A 1 47 ? -15.350 -4.498 4.938 1.00 95.53 47 A 1 ATOM 391 C C . ALA A 1 47 ? -15.728 -3.010 5.115 1.00 96.14 47 A 1 ATOM 392 O O . ALA A 1 47 ? -15.840 -2.289 4.121 1.00 94.69 47 A 1 ATOM 393 C CB . ALA A 1 47 ? -16.043 -5.176 3.749 1.00 94.45 47 A 1 ATOM 394 N N . GLU A 1 48 ? -15.845 -2.532 6.352 1.00 97.15 48 A 1 ATOM 395 C CA . GLU A 1 48 ? -16.081 -1.126 6.684 1.00 97.20 48 A 1 ATOM 396 C C . GLU A 1 48 ? -14.808 -0.472 7.242 1.00 97.38 48 A 1 ATOM 397 O O . GLU A 1 48 ? -14.060 -1.108 7.989 1.00 96.72 48 A 1 ATOM 398 C CB . GLU A 1 48 ? -17.245 -1.001 7.679 1.00 96.36 48 A 1 ATOM 399 C CG . GLU A 1 48 ? -18.613 -1.357 7.069 1.00 91.66 48 A 1 ATOM 400 C CD . GLU A 1 48 ? -18.979 -0.462 5.869 1.00 89.08 48 A 1 ATOM 401 O OE1 . GLU A 1 48 ? -19.613 -0.969 4.920 1.00 81.49 48 A 1 ATOM 402 O OE2 . GLU A 1 48 ? -18.592 0.727 5.882 1.00 83.02 48 A 1 ATOM 403 N N . PRO A 1 49 ? -14.540 0.799 6.923 1.00 97.66 49 A 1 ATOM 404 C CA . PRO A 1 49 ? -13.359 1.486 7.432 1.00 97.56 49 A 1 ATOM 405 C C . PRO A 1 49 ? -13.341 1.551 8.962 1.00 97.58 49 A 1 ATOM 406 O O . PRO A 1 49 ? -14.266 2.073 9.588 1.00 97.10 49 A 1 ATOM 407 C CB . PRO A 1 49 ? -13.391 2.884 6.812 1.00 97.07 49 A 1 ATOM 408 C CG . PRO A 1 49 ? -14.241 2.706 5.559 1.00 95.64 49 A 1 ATOM 409 C CD . PRO A 1 49 ? -15.254 1.652 5.989 1.00 97.20 49 A 1 ATOM 410 N N . SER A 1 50 ? -12.258 1.093 9.582 1.00 97.55 50 A 1 ATOM 411 C CA . SER A 1 50 ? -12.078 1.244 11.025 1.00 97.33 50 A 1 ATOM 412 C C . SER A 1 50 ? -11.958 2.726 11.415 1.00 97.37 50 A 1 ATOM 413 O O . SER A 1 50 ? -11.494 3.567 10.636 1.00 97.17 50 A 1 ATOM 414 C CB . SER A 1 50 ? -10.874 0.432 11.524 1.00 96.79 50 A 1 ATOM 415 O OG . SER A 1 50 ? -9.650 1.031 11.147 1.00 95.18 50 A 1 ATOM 416 N N . ALA A 1 51 ? -12.315 3.048 12.660 1.00 97.06 51 A 1 ATOM 417 C CA . ALA A 1 51 ? -12.133 4.403 13.188 1.00 96.62 51 A 1 ATOM 418 C C . ALA A 1 51 ? -10.662 4.854 13.115 1.00 96.31 51 A 1 ATOM 419 O O . ALA A 1 51 ? -10.368 6.012 12.800 1.00 95.46 51 A 1 ATOM 420 C CB . ALA A 1 51 ? -12.648 4.425 14.630 1.00 96.02 51 A 1 ATOM 421 N N . GLU A 1 52 ? -9.739 3.924 13.333 1.00 96.12 52 A 1 ATOM 422 C CA . GLU A 1 52 ? -8.306 4.180 13.223 1.00 95.33 52 A 1 ATOM 423 C C . GLU A 1 52 ? -7.893 4.505 11.779 1.00 95.55 52 A 1 ATOM 424 O O . GLU A 1 52 ? -7.151 5.466 11.556 1.00 94.77 52 A 1 ATOM 425 C CB . GLU A 1 52 ? -7.537 2.971 13.765 1.00 93.52 52 A 1 ATOM 426 C CG . GLU A 1 52 ? -6.040 3.283 13.842 1.00 81.47 52 A 1 ATOM 427 C CD . GLU A 1 52 ? -5.179 2.124 14.335 1.00 76.26 52 A 1 ATOM 428 O OE1 . GLU A 1 52 ? -3.986 2.398 14.602 1.00 70.55 52 A 1 ATOM 429 O OE2 . GLU A 1 52 ? -5.665 0.979 14.356 1.00 69.68 52 A 1 ATOM 430 N N . LEU A 1 53 ? -8.406 3.760 10.786 1.00 96.44 53 A 1 ATOM 431 C CA . LEU A 1 53 ? -8.159 4.061 9.376 1.00 96.78 53 A 1 ATOM 432 C C . LEU A 1 53 ? -8.665 5.462 9.028 1.00 96.70 53 A 1 ATOM 433 O O . LEU A 1 53 ? -7.905 6.256 8.475 1.00 96.32 53 A 1 ATOM 434 C CB . LEU A 1 53 ? -8.803 2.989 8.477 1.00 96.82 53 A 1 ATOM 435 C CG . LEU A 1 53 ? -8.661 3.284 6.965 1.00 96.55 53 A 1 ATOM 436 C CD1 . LEU A 1 53 ? -7.202 3.281 6.503 1.00 95.71 53 A 1 ATOM 437 C CD2 . LEU A 1 53 ? -9.425 2.252 6.146 1.00 95.56 53 A 1 ATOM 438 N N . LEU A 1 54 ? -9.912 5.787 9.385 1.00 96.96 54 A 1 ATOM 439 C CA . LEU A 1 54 ? -10.518 7.093 9.104 1.00 96.50 54 A 1 ATOM 440 C C . LEU A 1 54 ? -9.704 8.246 9.706 1.00 95.68 54 A 1 ATOM 441 O O . LEU A 1 54 ? -9.408 9.231 9.022 1.00 94.73 54 A 1 ATOM 442 C CB . LEU A 1 54 ? -11.963 7.112 9.641 1.00 96.43 54 A 1 ATOM 443 C CG . LEU A 1 54 ? -12.949 6.203 8.884 1.00 95.37 54 A 1 ATOM 444 C CD1 . LEU A 1 54 ? -14.293 6.197 9.609 1.00 94.26 54 A 1 ATOM 445 C CD2 . LEU A 1 54 ? -13.177 6.682 7.452 1.00 93.97 54 A 1 ATOM 446 N N . MET A 1 55 ? -9.287 8.105 10.958 1.00 95.40 55 A 1 ATOM 447 C CA . MET A 1 55 ? -8.461 9.108 11.629 1.00 94.45 55 A 1 ATOM 448 C C . MET A 1 55 ? -7.084 9.249 10.965 1.00 94.08 55 A 1 ATOM 449 O O . MET A 1 55 ? -6.631 10.358 10.665 1.00 92.76 55 A 1 ATOM 450 C CB . MET A 1 55 ? -8.331 8.723 13.107 1.00 92.86 55 A 1 ATOM 451 C CG . MET A 1 55 ? -7.525 9.766 13.882 1.00 80.42 55 A 1 ATOM 452 S SD . MET A 1 55 ? -7.296 9.430 15.651 1.00 73.96 55 A 1 ATOM 453 C CE . MET A 1 55 ? -6.391 7.861 15.587 1.00 64.58 55 A 1 ATOM 454 N N . ASN A 1 56 ? -6.416 8.127 10.700 1.00 94.70 56 A 1 ATOM 455 C CA . ASN A 1 56 ? -5.033 8.132 10.234 1.00 94.08 56 A 1 ATOM 456 C C . ASN A 1 56 ? -4.896 8.462 8.743 1.00 94.75 56 A 1 ATOM 457 O O . ASN A 1 56 ? -3.958 9.164 8.360 1.00 93.71 56 A 1 ATOM 458 C CB . ASN A 1 56 ? -4.393 6.790 10.608 1.00 92.51 56 A 1 ATOM 459 C CG . ASN A 1 56 ? -4.099 6.687 12.095 1.00 89.85 56 A 1 ATOM 460 O OD1 . ASN A 1 56 ? -3.870 7.673 12.776 1.00 84.18 56 A 1 ATOM 461 N ND2 . ASN A 1 56 ? -4.027 5.482 12.619 1.00 82.74 56 A 1 ATOM 462 N N . ILE A 1 57 ? -5.840 8.041 7.888 1.00 94.92 57 A 1 ATOM 463 C CA . ILE A 1 57 ? -5.788 8.335 6.447 1.00 94.56 57 A 1 ATOM 464 C C . ILE A 1 57 ? -5.896 9.840 6.172 1.00 94.73 57 A 1 ATOM 465 O O . ILE A 1 57 ? -5.244 10.358 5.261 1.00 93.87 57 A 1 ATOM 466 C CB . ILE A 1 57 ? -6.868 7.527 5.686 1.00 93.15 57 A 1 ATOM 467 C CG1 . ILE A 1 57 ? -6.546 7.385 4.185 1.00 81.84 57 A 1 ATOM 468 C CG2 . ILE A 1 57 ? -8.278 8.131 5.840 1.00 80.42 57 A 1 ATOM 469 C CD1 . ILE A 1 57 ? -5.326 6.514 3.905 1.00 74.42 57 A 1 ATOM 470 N N . SER A 1 58 ? -6.637 10.573 7.010 1.00 94.57 58 A 1 ATOM 471 C CA . SER A 1 58 ? -6.745 12.031 6.907 1.00 93.90 58 A 1 ATOM 472 C C . SER A 1 58 ? -5.393 12.728 7.124 1.00 94.29 58 A 1 ATOM 473 O O . SER A 1 58 ? -5.099 13.739 6.476 1.00 92.50 58 A 1 ATOM 474 C CB . SER A 1 58 ? -7.807 12.539 7.895 1.00 92.23 58 A 1 ATOM 475 O OG . SER A 1 58 ? -7.300 12.574 9.208 1.00 81.60 58 A 1 ATOM 476 N N . ARG A 1 59 ? -4.528 12.121 7.939 1.00 95.57 59 A 1 ATOM 477 C CA . ARG A 1 59 ? -3.192 12.617 8.319 1.00 95.81 59 A 1 ATOM 478 C C . ARG A 1 59 ? -2.086 12.204 7.346 1.00 96.28 59 A 1 ATOM 479 O O . ARG A 1 59 ? -0.970 12.711 7.454 1.00 95.40 59 A 1 ATOM 480 C CB . ARG A 1 59 ? -2.872 12.128 9.739 1.00 94.58 59 A 1 ATOM 481 C CG . ARG A 1 59 ? -3.901 12.614 10.783 1.00 91.29 59 A 1 ATOM 482 C CD . ARG A 1 59 ? -3.726 11.898 12.123 1.00 87.31 59 A 1 ATOM 483 N NE . ARG A 1 59 ? -2.439 12.232 12.765 1.00 80.00 59 A 1 ATOM 484 C CZ . ARG A 1 59 ? -1.882 11.567 13.769 1.00 74.89 59 A 1 ATOM 485 N NH1 . ARG A 1 59 ? -2.436 10.502 14.279 1.00 68.79 59 A 1 ATOM 486 N NH2 . ARG A 1 59 ? -0.771 11.975 14.293 1.00 66.67 59 A 1 ATOM 487 N N . CYS A 1 60 ? -2.376 11.297 6.400 1.00 96.41 60 A 1 ATOM 488 C CA . CYS A 1 60 ? -1.399 10.715 5.482 1.00 96.38 60 A 1 ATOM 489 C C . CYS A 1 60 ? -1.665 11.134 4.032 1.00 96.08 60 A 1 ATOM 490 O O . CYS A 1 60 ? -2.806 11.184 3.584 1.00 95.15 60 A 1 ATOM 491 C CB . CYS A 1 60 ? -1.412 9.190 5.637 1.00 96.00 60 A 1 ATOM 492 S SG . CYS A 1 60 ? -0.880 8.726 7.311 1.00 92.89 60 A 1 ATOM 493 N N . GLN A 1 61 ? -0.612 11.422 3.249 1.00 96.26 61 A 1 ATOM 494 C CA . GLN A 1 61 ? -0.771 11.832 1.846 1.00 95.81 61 A 1 ATOM 495 C C . GLN A 1 61 ? -1.041 10.662 0.899 1.00 95.87 61 A 1 ATOM 496 O O . GLN A 1 61 ? -1.687 10.853 -0.135 1.00 94.96 61 A 1 ATOM 497 C CB . GLN A 1 61 ? 0.460 12.606 1.365 1.00 95.12 61 A 1 ATOM 498 C CG . GLN A 1 61 ? 0.687 13.914 2.128 1.00 92.24 61 A 1 ATOM 499 C CD . GLN A 1 61 ? 1.713 14.799 1.424 1.00 87.13 61 A 1 ATOM 500 O OE1 . GLN A 1 61 ? 1.665 14.980 0.218 1.00 77.29 61 A 1 ATOM 501 N NE2 . GLN A 1 61 ? 2.652 15.369 2.137 1.00 74.45 61 A 1 ATOM 502 N N . ARG A 1 62 ? -0.550 9.467 1.242 1.00 96.71 62 A 1 ATOM 503 C CA . ARG A 1 62 ? -0.726 8.230 0.468 1.00 97.13 62 A 1 ATOM 504 C C . ARG A 1 62 ? -1.151 7.094 1.383 1.00 97.46 62 A 1 ATOM 505 O O . ARG A 1 62 ? -0.793 7.082 2.558 1.00 96.88 62 A 1 ATOM 506 C CB . ARG A 1 62 ? 0.587 7.860 -0.250 1.00 96.58 62 A 1 ATOM 507 C CG . ARG A 1 62 ? 1.096 8.909 -1.252 1.00 94.34 62 A 1 ATOM 508 C CD . ARG A 1 62 ? 0.173 9.060 -2.465 1.00 92.16 62 A 1 ATOM 509 N NE . ARG A 1 62 ? 0.693 10.079 -3.389 1.00 90.26 62 A 1 ATOM 510 C CZ . ARG A 1 62 ? 0.438 11.382 -3.358 1.00 88.09 62 A 1 ATOM 511 N NH1 . ARG A 1 62 ? -0.379 11.909 -2.493 1.00 81.26 62 A 1 ATOM 512 N NH2 . ARG A 1 62 ? 1.024 12.176 -4.209 1.00 84.23 62 A 1 ATOM 513 N N . LEU A 1 63 ? -1.861 6.118 0.818 1.00 97.64 63 A 1 ATOM 514 C CA . LEU A 1 63 ? -2.071 4.806 1.414 1.00 97.98 63 A 1 ATOM 515 C C . LEU A 1 63 ? -1.212 3.799 0.650 1.00 98.19 63 A 1 ATOM 516 O O . LEU A 1 63 ? -1.292 3.746 -0.578 1.00 98.07 63 A 1 ATOM 517 C CB . LEU A 1 63 ? -3.567 4.462 1.373 1.00 97.84 63 A 1 ATOM 518 C CG . LEU A 1 63 ? -3.907 3.029 1.828 1.00 97.32 63 A 1 ATOM 519 C CD1 . LEU A 1 63 ? -3.558 2.782 3.293 1.00 96.67 63 A 1 ATOM 520 C CD2 . LEU A 1 63 ? -5.403 2.777 1.640 1.00 96.40 63 A 1 ATOM 521 N N . ILE A 1 64 ? -0.411 3.026 1.374 1.00 98.30 64 A 1 ATOM 522 C CA . ILE A 1 64 ? 0.331 1.876 0.858 1.00 98.49 64 A 1 ATOM 523 C C . ILE A 1 64 ? -0.227 0.634 1.543 1.00 98.50 64 A 1 ATOM 524 O O . ILE A 1 64 ? -0.279 0.586 2.767 1.00 98.32 64 A 1 ATOM 525 C CB . ILE A 1 64 ? 1.851 2.024 1.093 1.00 98.50 64 A 1 ATOM 526 C CG1 . ILE A 1 64 ? 2.401 3.309 0.426 1.00 98.23 64 A 1 ATOM 527 C CG2 . ILE A 1 64 ? 2.586 0.774 0.575 1.00 98.17 64 A 1 ATOM 528 C CD1 . ILE A 1 64 ? 3.883 3.586 0.714 1.00 97.83 64 A 1 ATOM 529 N N . VAL A 1 65 ? -0.617 -0.373 0.776 1.00 98.49 65 A 1 ATOM 530 C CA . VAL A 1 65 ? -1.066 -1.671 1.283 1.00 98.53 65 A 1 ATOM 531 C C . VAL A 1 65 ? -0.087 -2.732 0.800 1.00 98.54 65 A 1 ATOM 532 O O . VAL A 1 65 ? 0.131 -2.875 -0.401 1.00 98.33 65 A 1 ATOM 533 C CB . VAL A 1 65 ? -2.509 -1.980 0.839 1.00 98.39 65 A 1 ATOM 534 C CG1 . VAL A 1 65 ? -2.982 -3.327 1.379 1.00 97.95 65 A 1 ATOM 535 C CG2 . VAL A 1 65 ? -3.489 -0.901 1.326 1.00 98.01 65 A 1 ATOM 536 N N . VAL A 1 66 ? 0.507 -3.479 1.730 1.00 98.51 66 A 1 ATOM 537 C CA . VAL A 1 66 ? 1.346 -4.640 1.407 1.00 98.57 66 A 1 ATOM 538 C C . VAL A 1 66 ? 0.425 -5.834 1.182 1.00 98.43 66 A 1 ATOM 539 O O . VAL A 1 66 ? 0.074 -6.556 2.114 1.00 98.07 66 A 1 ATOM 540 C CB . VAL A 1 66 ? 2.404 -4.899 2.497 1.00 98.58 66 A 1 ATOM 541 C CG1 . VAL A 1 66 ? 3.315 -6.065 2.107 1.00 98.28 66 A 1 ATOM 542 C CG2 . VAL A 1 66 ? 3.291 -3.661 2.699 1.00 98.38 66 A 1 ATOM 543 N N . LEU A 1 67 ? 0.004 -6.019 -0.058 1.00 98.03 67 A 1 ATOM 544 C CA . LEU A 1 67 ? -1.028 -6.967 -0.465 1.00 97.71 67 A 1 ATOM 545 C C . LEU A 1 67 ? -0.439 -8.376 -0.663 1.00 97.45 67 A 1 ATOM 546 O O . LEU A 1 67 ? -0.424 -8.926 -1.768 1.00 96.54 67 A 1 ATOM 547 C CB . LEU A 1 67 ? -1.750 -6.393 -1.703 1.00 97.22 67 A 1 ATOM 548 C CG . LEU A 1 67 ? -3.150 -6.989 -1.936 1.00 95.47 67 A 1 ATOM 549 C CD1 . LEU A 1 67 ? -4.161 -6.457 -0.915 1.00 93.65 67 A 1 ATOM 550 C CD2 . LEU A 1 67 ? -3.650 -6.601 -3.330 1.00 93.74 67 A 1 ATOM 551 N N . SER A 1 68 ? 0.097 -8.937 0.414 1.00 97.71 68 A 1 ATOM 552 C CA . SER A 1 68 ? 0.608 -10.304 0.446 1.00 97.67 68 A 1 ATOM 553 C C . SER A 1 68 ? -0.525 -11.331 0.390 1.00 97.42 68 A 1 ATOM 554 O O . SER A 1 68 ? -1.696 -10.997 0.567 1.00 97.15 68 A 1 ATOM 555 C CB . SER A 1 68 ? 1.440 -10.515 1.709 1.00 97.62 68 A 1 ATOM 556 O OG . SER A 1 68 ? 0.628 -10.480 2.865 1.00 97.13 68 A 1 ATOM 557 N N . GLN A 1 69 ? -0.174 -12.604 0.205 1.00 96.65 69 A 1 ATOM 558 C CA . GLN A 1 69 ? -1.141 -13.696 0.339 1.00 96.08 69 A 1 ATOM 559 C C . GLN A 1 69 ? -1.805 -13.672 1.723 1.00 96.46 69 A 1 ATOM 560 O O . GLN A 1 69 ? -3.028 -13.672 1.805 1.00 95.92 69 A 1 ATOM 561 C CB . GLN A 1 69 ? -0.432 -15.032 0.086 1.00 94.50 69 A 1 ATOM 562 C CG . GLN A 1 69 ? -1.439 -16.194 0.140 1.00 80.57 69 A 1 ATOM 563 C CD . GLN A 1 69 ? -0.772 -17.564 0.049 1.00 71.99 69 A 1 ATOM 564 O OE1 . GLN A 1 69 ? 0.437 -17.708 -0.055 1.00 65.20 69 A 1 ATOM 565 N NE2 . GLN A 1 69 ? -1.550 -18.624 0.086 1.00 60.83 69 A 1 ATOM 566 N N . SER A 1 70 ? -1.028 -13.548 2.799 1.00 96.72 70 A 1 ATOM 567 C CA . SER A 1 70 ? -1.570 -13.506 4.164 1.00 96.70 70 A 1 ATOM 568 C C . SER A 1 70 ? -2.417 -12.258 4.432 1.00 97.09 70 A 1 ATOM 569 O O . SER A 1 70 ? -3.345 -12.301 5.229 1.00 96.68 70 A 1 ATOM 570 C CB . SER A 1 70 ? -0.441 -13.569 5.187 1.00 96.09 70 A 1 ATOM 571 O OG . SER A 1 70 ? 0.406 -14.679 4.939 1.00 85.87 70 A 1 ATOM 572 N N . TYR A 1 71 ? -2.147 -11.137 3.762 1.00 97.25 71 A 1 ATOM 573 C CA . TYR A 1 71 ? -3.027 -9.966 3.821 1.00 97.70 71 A 1 ATOM 574 C C . TYR A 1 71 ? -4.392 -10.276 3.199 1.00 97.48 71 A 1 ATOM 575 O O . TYR A 1 71 ? -5.425 -9.907 3.750 1.00 96.82 71 A 1 ATOM 576 C CB . TYR A 1 71 ? -2.361 -8.776 3.127 1.00 97.82 71 A 1 ATOM 577 C CG . TYR A 1 71 ? -3.028 -7.448 3.423 1.00 98.20 71 A 1 ATOM 578 C CD1 . TYR A 1 71 ? -4.217 -7.065 2.769 1.00 97.83 71 A 1 ATOM 579 C CD2 . TYR A 1 71 ? -2.466 -6.585 4.392 1.00 97.77 71 A 1 ATOM 580 C CE1 . TYR A 1 71 ? -4.856 -5.855 3.088 1.00 97.54 71 A 1 ATOM 581 C CE2 . TYR A 1 71 ? -3.094 -5.371 4.715 1.00 97.47 71 A 1 ATOM 582 C CZ . TYR A 1 71 ? -4.296 -5.017 4.069 1.00 97.76 71 A 1 ATOM 583 O OH . TYR A 1 71 ? -4.925 -3.843 4.406 1.00 97.33 71 A 1 ATOM 584 N N . LEU A 1 72 ? -4.394 -10.993 2.072 1.00 97.22 72 A 1 ATOM 585 C CA . LEU A 1 72 ? -5.596 -11.387 1.335 1.00 96.88 72 A 1 ATOM 586 C C . LEU A 1 72 ? -6.401 -12.507 2.014 1.00 96.53 72 A 1 ATOM 587 O O . LEU A 1 72 ? -7.540 -12.746 1.618 1.00 95.68 72 A 1 ATOM 588 C CB . LEU A 1 72 ? -5.188 -11.796 -0.087 1.00 96.50 72 A 1 ATOM 589 C CG . LEU A 1 72 ? -4.691 -10.631 -0.962 1.00 95.62 72 A 1 ATOM 590 C CD1 . LEU A 1 72 ? -4.154 -11.177 -2.283 1.00 94.88 72 A 1 ATOM 591 C CD2 . LEU A 1 72 ? -5.818 -9.641 -1.269 1.00 94.81 72 A 1 ATOM 592 N N . GLU A 1 73 ? -5.849 -13.157 3.033 1.00 96.59 73 A 1 ATOM 593 C CA . GLU A 1 73 ? -6.553 -14.135 3.875 1.00 96.08 73 A 1 ATOM 594 C C . GLU A 1 73 ? -7.448 -13.468 4.938 1.00 96.06 73 A 1 ATOM 595 O O . GLU A 1 73 ? -8.262 -14.144 5.561 1.00 95.02 73 A 1 ATOM 596 C CB . GLU A 1 73 ? -5.534 -15.074 4.536 1.00 95.32 73 A 1 ATOM 597 C CG . GLU A 1 73 ? -4.905 -16.053 3.530 1.00 92.06 73 A 1 ATOM 598 C CD . GLU A 1 73 ? -3.664 -16.792 4.064 1.00 86.97 73 A 1 ATOM 599 O OE1 . GLU A 1 73 ? -3.031 -17.509 3.249 1.00 80.45 73 A 1 ATOM 600 O OE2 . GLU A 1 73 ? -3.302 -16.616 5.252 1.00 81.18 73 A 1 ATOM 601 N N . GLN A 1 74 ? -7.343 -12.149 5.147 1.00 96.39 74 A 1 ATOM 602 C CA . GLN A 1 74 ? -8.258 -11.429 6.035 1.00 96.19 74 A 1 ATOM 603 C C . GLN A 1 74 ? -9.704 -11.568 5.546 1.00 96.18 74 A 1 ATOM 604 O O . GLN A 1 74 ? -9.980 -11.505 4.349 1.00 95.56 74 A 1 ATOM 605 C CB . GLN A 1 74 ? -7.879 -9.944 6.126 1.00 95.74 74 A 1 ATOM 606 C CG . GLN A 1 74 ? -6.554 -9.707 6.865 1.00 94.59 74 A 1 ATOM 607 C CD . GLN A 1 74 ? -6.184 -8.226 6.841 1.00 95.16 74 A 1 ATOM 608 O OE1 . GLN A 1 74 ? -6.374 -7.480 7.787 1.00 88.78 74 A 1 ATOM 609 N NE2 . GLN A 1 74 ? -5.671 -7.745 5.731 1.00 88.02 74 A 1 ATOM 610 N N . GLU A 1 75 ? -10.651 -11.679 6.493 1.00 96.10 75 A 1 ATOM 611 C CA . GLU A 1 75 ? -12.062 -11.954 6.204 1.00 95.81 75 A 1 ATOM 612 C C . GLU A 1 75 ? -12.663 -10.980 5.179 1.00 95.83 75 A 1 ATOM 613 O O . GLU A 1 75 ? -13.323 -11.402 4.232 1.00 94.66 75 A 1 ATOM 614 C CB . GLU A 1 75 ? -12.841 -11.910 7.528 1.00 94.94 75 A 1 ATOM 615 C CG . GLU A 1 75 ? -14.315 -12.303 7.358 1.00 84.27 75 A 1 ATOM 616 C CD . GLU A 1 75 ? -15.119 -12.202 8.668 1.00 75.90 75 A 1 ATOM 617 O OE1 . GLU A 1 75 ? -16.298 -12.622 8.644 1.00 69.35 75 A 1 ATOM 618 O OE2 . GLU A 1 75 ? -14.569 -11.686 9.670 1.00 69.34 75 A 1 ATOM 619 N N . TRP A 1 76 ? -12.396 -9.668 5.300 1.00 95.82 76 A 1 ATOM 620 C CA . TRP A 1 76 ? -12.925 -8.688 4.349 1.00 96.06 76 A 1 ATOM 621 C C . TRP A 1 76 ? -12.395 -8.893 2.925 1.00 96.45 76 A 1 ATOM 622 O O . TRP A 1 76 ? -13.105 -8.625 1.957 1.00 95.59 76 A 1 ATOM 623 C CB . TRP A 1 76 ? -12.638 -7.271 4.848 1.00 95.45 76 A 1 ATOM 624 C CG . TRP A 1 76 ? -11.239 -6.771 4.637 1.00 95.99 76 A 1 ATOM 625 C CD1 . TRP A 1 76 ? -10.246 -6.791 5.551 1.00 94.33 76 A 1 ATOM 626 C CD2 . TRP A 1 76 ? -10.672 -6.150 3.435 1.00 96.61 76 A 1 ATOM 627 N NE1 . TRP A 1 76 ? -9.095 -6.221 5.006 1.00 93.92 76 A 1 ATOM 628 C CE2 . TRP A 1 76 ? -9.320 -5.815 3.711 1.00 95.94 76 A 1 ATOM 629 C CE3 . TRP A 1 76 ? -11.182 -5.833 2.159 1.00 95.17 76 A 1 ATOM 630 C CZ2 . TRP A 1 76 ? -8.491 -5.185 2.752 1.00 95.06 76 A 1 ATOM 631 C CZ3 . TRP A 1 76 ? -10.357 -5.209 1.203 1.00 94.88 76 A 1 ATOM 632 C CH2 . TRP A 1 76 ? -9.026 -4.889 1.496 1.00 94.93 76 A 1 ATOM 633 N N . CYS A 1 77 ? -11.178 -9.402 2.783 1.00 96.34 77 A 1 ATOM 634 C CA . CYS A 1 77 ? -10.591 -9.705 1.477 1.00 96.23 77 A 1 ATOM 635 C C . CYS A 1 77 ? -11.218 -10.956 0.851 1.00 95.84 77 A 1 ATOM 636 O O . CYS A 1 77 ? -11.405 -11.003 -0.362 1.00 95.19 77 A 1 ATOM 637 C CB . CYS A 1 77 ? -9.077 -9.899 1.617 1.00 96.31 77 A 1 ATOM 638 S SG . CYS A 1 77 ? -8.232 -8.363 2.112 1.00 95.86 77 A 1 ATOM 639 N N . THR A 1 78 ? -11.542 -11.961 1.657 1.00 96.05 78 A 1 ATOM 640 C CA . THR A 1 78 ? -12.110 -13.224 1.164 1.00 95.37 78 A 1 ATOM 641 C C . THR A 1 78 ? -13.609 -13.132 0.883 1.00 95.01 78 A 1 ATOM 642 O O . THR A 1 78 ? -14.092 -13.820 -0.011 1.00 93.25 78 A 1 ATOM 643 C CB . THR A 1 78 ? -11.831 -14.384 2.130 1.00 94.71 78 A 1 ATOM 644 O OG1 . THR A 1 78 ? -12.350 -14.115 3.409 1.00 91.16 78 A 1 ATOM 645 C CG2 . THR A 1 78 ? -10.331 -14.643 2.297 1.00 90.52 78 A 1 ATOM 646 N N . THR A 1 79 ? -14.343 -12.266 1.596 1.00 95.87 79 A 1 ATOM 647 C CA . THR A 1 79 ? -15.810 -12.174 1.510 1.00 94.99 79 A 1 ATOM 648 C C . THR A 1 79 ? -16.306 -10.928 0.775 1.00 94.84 79 A 1 ATOM 649 O O . THR A 1 79 ? -17.274 -11.008 0.025 1.00 92.63 79 A 1 ATOM 650 C CB . THR A 1 79 ? -16.451 -12.234 2.903 1.00 93.80 79 A 1 ATOM 651 O OG1 . THR A 1 79 ? -16.005 -11.157 3.699 1.00 89.14 79 A 1 ATOM 652 C CG2 . THR A 1 79 ? -16.126 -13.532 3.642 1.00 86.72 79 A 1 ATOM 653 N N . ASN A 1 80 ? -15.654 -9.777 0.945 1.00 95.84 80 A 1 ATOM 654 C CA . ASN A 1 80 ? -16.145 -8.470 0.494 1.00 95.84 80 A 1 ATOM 655 C C . ASN A 1 80 ? -15.044 -7.581 -0.102 1.00 96.60 80 A 1 ATOM 656 O O . ASN A 1 80 ? -15.076 -6.354 0.032 1.00 95.47 80 A 1 ATOM 657 C CB . ASN A 1 80 ? -16.879 -7.785 1.662 1.00 93.15 80 A 1 ATOM 658 C CG . ASN A 1 80 ? -18.203 -8.447 1.992 1.00 83.95 80 A 1 ATOM 659 O OD1 . ASN A 1 80 ? -19.096 -8.527 1.169 1.00 75.59 80 A 1 ATOM 660 N ND2 . ASN A 1 80 ? -18.373 -8.920 3.204 1.00 74.15 80 A 1 ATOM 661 N N . PHE A 1 81 ? -14.066 -8.165 -0.797 1.00 96.44 81 A 1 ATOM 662 C CA . PHE A 1 81 ? -12.917 -7.422 -1.332 1.00 96.86 81 A 1 ATOM 663 C C . PHE A 1 81 ? -13.322 -6.213 -2.183 1.00 96.99 81 A 1 ATOM 664 O O . PHE A 1 81 ? -12.724 -5.146 -2.063 1.00 96.92 81 A 1 ATOM 665 C CB . PHE A 1 81 ? -12.023 -8.353 -2.150 1.00 96.71 81 A 1 ATOM 666 C CG . PHE A 1 81 ? -10.750 -7.679 -2.623 1.00 96.98 81 A 1 ATOM 667 C CD1 . PHE A 1 81 ? -10.636 -7.192 -3.938 1.00 96.48 81 A 1 ATOM 668 C CD2 . PHE A 1 81 ? -9.683 -7.492 -1.723 1.00 96.42 81 A 1 ATOM 669 C CE1 . PHE A 1 81 ? -9.462 -6.533 -4.352 1.00 95.92 81 A 1 ATOM 670 C CE2 . PHE A 1 81 ? -8.511 -6.836 -2.131 1.00 95.76 81 A 1 ATOM 671 C CZ . PHE A 1 81 ? -8.402 -6.356 -3.445 1.00 96.03 81 A 1 ATOM 672 N N . ARG A 1 82 ? -14.375 -6.350 -2.998 1.00 96.65 82 A 1 ATOM 673 C CA . ARG A 1 82 ? -14.891 -5.254 -3.830 1.00 96.57 82 A 1 ATOM 674 C C . ARG A 1 82 ? -15.301 -4.037 -2.992 1.00 96.74 82 A 1 ATOM 675 O O . ARG A 1 82 ? -14.920 -2.918 -3.330 1.00 96.51 82 A 1 ATOM 676 C CB . ARG A 1 82 ? -16.062 -5.781 -4.673 1.00 95.68 82 A 1 ATOM 677 C CG . ARG A 1 82 ? -16.636 -4.698 -5.599 1.00 88.34 82 A 1 ATOM 678 C CD . ARG A 1 82 ? -17.824 -5.223 -6.411 1.00 83.52 82 A 1 ATOM 679 N NE . ARG A 1 82 ? -17.420 -6.248 -7.391 1.00 72.07 82 A 1 ATOM 680 C CZ . ARG A 1 82 ? -18.222 -7.045 -8.078 1.00 64.09 82 A 1 ATOM 681 N NH1 . ARG A 1 82 ? -19.517 -6.982 -7.958 1.00 57.80 82 A 1 ATOM 682 N NH2 . ARG A 1 82 ? -17.718 -7.919 -8.904 1.00 55.22 82 A 1 ATOM 683 N N . GLN A 1 83 ? -16.069 -4.255 -1.915 1.00 96.86 83 A 1 ATOM 684 C CA . GLN A 1 83 ? -16.527 -3.182 -1.030 1.00 97.00 83 A 1 ATOM 685 C C . GLN A 1 83 ? -15.343 -2.530 -0.309 1.00 97.32 83 A 1 ATOM 686 O O . GLN A 1 83 ? -15.195 -1.307 -0.351 1.00 97.26 83 A 1 ATOM 687 C CB . GLN A 1 83 ? -17.556 -3.756 -0.045 1.00 96.32 83 A 1 ATOM 688 C CG . GLN A 1 83 ? -18.108 -2.703 0.934 1.00 87.45 83 A 1 ATOM 689 C CD . GLN A 1 83 ? -19.191 -3.276 1.857 1.00 80.42 83 A 1 ATOM 690 O OE1 . GLN A 1 83 ? -19.651 -4.394 1.688 1.00 73.65 83 A 1 ATOM 691 N NE2 . GLN A 1 83 ? -19.634 -2.539 2.844 1.00 68.24 83 A 1 ATOM 692 N N . GLY A 1 84 ? -14.460 -3.334 0.262 1.00 97.64 84 A 1 ATOM 693 C CA . GLY A 1 84 ? -13.247 -2.827 0.903 1.00 97.66 84 A 1 ATOM 694 C C . GLY A 1 84 ? -12.373 -2.008 -0.053 1.00 97.82 84 A 1 ATOM 695 O O . GLY A 1 84 ? -11.927 -0.912 0.290 1.00 97.64 84 A 1 ATOM 696 N N . LEU A 1 85 ? -12.189 -2.481 -1.285 1.00 97.52 85 A 1 ATOM 697 C CA . LEU A 1 85 ? -11.427 -1.759 -2.306 1.00 97.50 85 A 1 ATOM 698 C C . LEU A 1 85 ? -12.066 -0.406 -2.655 1.00 97.44 85 A 1 ATOM 699 O O . LEU A 1 85 ? -11.346 0.586 -2.792 1.00 97.31 85 A 1 ATOM 700 C CB . LEU A 1 85 ? -11.261 -2.661 -3.540 1.00 97.30 85 A 1 ATOM 701 C CG . LEU A 1 85 ? -10.442 -2.025 -4.680 1.00 96.63 85 A 1 ATOM 702 C CD1 . LEU A 1 85 ? -9.019 -1.663 -4.251 1.00 95.87 85 A 1 ATOM 703 C CD2 . LEU A 1 85 ? -10.347 -3.010 -5.844 1.00 95.71 85 A 1 ATOM 704 N N . TRP A 1 86 ? -13.403 -0.338 -2.770 1.00 97.17 86 A 1 ATOM 705 C CA . TRP A 1 86 ? -14.108 0.929 -2.980 1.00 96.85 86 A 1 ATOM 706 C C . TRP A 1 86 ? -13.854 1.924 -1.849 1.00 97.05 86 A 1 ATOM 707 O O . TRP A 1 86 ? -13.488 3.064 -2.137 1.00 96.63 86 A 1 ATOM 708 C CB . TRP A 1 86 ? -15.610 0.695 -3.155 1.00 95.86 86 A 1 ATOM 709 C CG . TRP A 1 86 ? -16.044 0.151 -4.472 1.00 84.36 86 A 1 ATOM 710 C CD1 . TRP A 1 86 ? -15.384 0.280 -5.650 1.00 71.38 86 A 1 ATOM 711 C CD2 . TRP A 1 86 ? -17.290 -0.556 -4.784 1.00 77.18 86 A 1 ATOM 712 N NE1 . TRP A 1 86 ? -16.138 -0.288 -6.676 1.00 63.80 86 A 1 ATOM 713 C CE2 . TRP A 1 86 ? -17.317 -0.799 -6.181 1.00 71.97 86 A 1 ATOM 714 C CE3 . TRP A 1 86 ? -18.396 -0.987 -4.014 1.00 61.33 86 A 1 ATOM 715 C CZ2 . TRP A 1 86 ? -18.413 -1.435 -6.810 1.00 62.92 86 A 1 ATOM 716 C CZ3 . TRP A 1 86 ? -19.482 -1.629 -4.639 1.00 56.75 86 A 1 ATOM 717 C CH2 . TRP A 1 86 ? -19.489 -1.844 -6.021 1.00 58.58 86 A 1 ATOM 718 N N . HIS A 1 87 ? -13.951 1.490 -0.590 1.00 97.43 87 A 1 ATOM 719 C CA . HIS A 1 87 ? -13.634 2.347 0.553 1.00 97.53 87 A 1 ATOM 720 C C . HIS A 1 87 ? -12.188 2.860 0.513 1.00 97.57 87 A 1 ATOM 721 O O . HIS A 1 87 ? -11.939 4.053 0.706 1.00 97.28 87 A 1 ATOM 722 C CB . HIS A 1 87 ? -13.895 1.581 1.854 1.00 97.54 87 A 1 ATOM 723 C CG . HIS A 1 87 ? -15.355 1.405 2.162 1.00 96.85 87 A 1 ATOM 724 N ND1 . HIS A 1 87 ? -16.286 2.427 2.266 1.00 87.94 87 A 1 ATOM 725 C CD2 . HIS A 1 87 ? -15.987 0.228 2.453 1.00 88.78 87 A 1 ATOM 726 C CE1 . HIS A 1 87 ? -17.452 1.869 2.619 1.00 91.57 87 A 1 ATOM 727 N NE2 . HIS A 1 87 ? -17.308 0.540 2.740 1.00 92.45 87 A 1 ATOM 728 N N . LEU A 1 88 ? -11.223 2.007 0.194 1.00 97.73 88 A 1 ATOM 729 C CA . LEU A 1 88 ? -9.822 2.434 0.094 1.00 97.74 88 A 1 ATOM 730 C C . LEU A 1 88 ? -9.606 3.464 -1.024 1.00 97.49 88 A 1 ATOM 731 O O . LEU A 1 88 ? -8.865 4.430 -0.833 1.00 96.98 88 A 1 ATOM 732 C CB . LEU A 1 88 ? -8.897 1.222 -0.105 1.00 97.80 88 A 1 ATOM 733 C CG . LEU A 1 88 ? -8.846 0.217 1.063 1.00 97.48 88 A 1 ATOM 734 C CD1 . LEU A 1 88 ? -7.796 -0.846 0.758 1.00 97.21 88 A 1 ATOM 735 C CD2 . LEU A 1 88 ? -8.510 0.876 2.404 1.00 97.05 88 A 1 ATOM 736 N N . ILE A 1 89 ? -10.261 3.286 -2.174 1.00 97.59 89 A 1 ATOM 737 C CA . ILE A 1 89 ? -10.200 4.232 -3.294 1.00 97.30 89 A 1 ATOM 738 C C . ILE A 1 89 ? -10.844 5.568 -2.908 1.00 96.69 89 A 1 ATOM 739 O O . ILE A 1 89 ? -10.265 6.624 -3.174 1.00 95.76 89 A 1 ATOM 740 C CB . ILE A 1 89 ? -10.841 3.621 -4.558 1.00 97.32 89 A 1 ATOM 741 C CG1 . ILE A 1 89 ? -9.944 2.482 -5.101 1.00 96.77 89 A 1 ATOM 742 C CG2 . ILE A 1 89 ? -11.058 4.684 -5.650 1.00 96.58 89 A 1 ATOM 743 C CD1 . ILE A 1 89 ? -10.631 1.600 -6.148 1.00 95.58 89 A 1 ATOM 744 N N . GLU A 1 90 ? -12.005 5.539 -2.256 1.00 97.01 90 A 1 ATOM 745 C CA . GLU A 1 90 ? -12.706 6.744 -1.817 1.00 96.33 90 A 1 ATOM 746 C C . GLU A 1 90 ? -11.876 7.552 -0.806 1.00 96.02 90 A 1 ATOM 747 O O . GLU A 1 90 ? -11.651 8.757 -0.982 1.00 94.74 90 A 1 ATOM 748 C CB . GLU A 1 90 ? -14.072 6.333 -1.237 1.00 95.18 90 A 1 ATOM 749 C CG . GLU A 1 90 ? -14.912 7.562 -0.875 1.00 79.18 90 A 1 ATOM 750 C CD . GLU A 1 90 ? -16.309 7.217 -0.340 1.00 73.44 90 A 1 ATOM 751 O OE1 . GLU A 1 90 ? -17.093 8.183 -0.186 1.00 67.36 90 A 1 ATOM 752 O OE2 . GLU A 1 90 ? -16.582 6.024 -0.089 1.00 68.11 90 A 1 ATOM 753 N N . LEU A 1 91 ? -11.328 6.876 0.207 1.00 96.52 91 A 1 ATOM 754 C CA . LEU A 1 91 ? -10.576 7.513 1.291 1.00 95.81 91 A 1 ATOM 755 C C . LEU A 1 91 ? -9.204 8.051 0.859 1.00 94.82 91 A 1 ATOM 756 O O . LEU A 1 91 ? -8.753 9.094 1.341 1.00 92.78 91 A 1 ATOM 757 C CB . LEU A 1 91 ? -10.415 6.493 2.429 1.00 95.74 91 A 1 ATOM 758 C CG . LEU A 1 91 ? -11.723 6.123 3.159 1.00 95.15 91 A 1 ATOM 759 C CD1 . LEU A 1 91 ? -11.441 4.969 4.116 1.00 93.84 91 A 1 ATOM 760 C CD2 . LEU A 1 91 ? -12.280 7.299 3.961 1.00 93.56 91 A 1 ATOM 761 N N . SER A 1 92 ? -8.504 7.335 -0.039 1.00 95.31 92 A 1 ATOM 762 C CA . SER A 1 92 ? -7.130 7.680 -0.447 1.00 93.62 92 A 1 ATOM 763 C C . SER A 1 92 ? -7.013 8.241 -1.863 1.00 91.86 92 A 1 ATOM 764 O O . SER A 1 92 ? -5.967 8.778 -2.232 1.00 86.10 92 A 1 ATOM 765 C CB . SER A 1 92 ? -6.221 6.464 -0.273 1.00 91.46 92 A 1 ATOM 766 O OG . SER A 1 92 ? -6.501 5.505 -1.260 1.00 79.70 92 A 1 ATOM 767 N N . ARG A 1 93 ? -8.063 8.142 -2.660 1.00 87.29 93 A 1 ATOM 768 C CA . ARG A 1 93 ? -8.204 8.449 -4.092 1.00 86.52 93 A 1 ATOM 769 C C . ARG A 1 93 ? -7.339 7.600 -5.026 1.00 87.47 93 A 1 ATOM 770 O O . ARG A 1 93 ? -7.804 7.258 -6.102 1.00 81.18 93 A 1 ATOM 771 C CB . ARG A 1 93 ? -7.997 9.945 -4.370 1.00 80.76 93 A 1 ATOM 772 C CG . ARG A 1 93 ? -8.979 10.838 -3.598 1.00 70.96 93 A 1 ATOM 773 C CD . ARG A 1 93 ? -8.827 12.286 -4.055 1.00 68.53 93 A 1 ATOM 774 N NE . ARG A 1 93 ? -9.806 13.151 -3.379 1.00 59.54 93 A 1 ATOM 775 C CZ . ARG A 1 93 ? -10.096 14.404 -3.700 1.00 53.35 93 A 1 ATOM 776 N NH1 . ARG A 1 93 ? -9.487 15.025 -4.677 1.00 49.35 93 A 1 ATOM 777 N NH2 . ARG A 1 93 ? -11.013 15.052 -3.036 1.00 45.16 93 A 1 ATOM 778 N N . LYS A 1 94 ? -6.116 7.268 -4.659 1.00 93.77 94 A 1 ATOM 779 C CA . LYS A 1 94 ? -5.243 6.394 -5.452 1.00 95.52 94 A 1 ATOM 780 C C . LYS A 1 94 ? -4.337 5.560 -4.540 1.00 96.70 94 A 1 ATOM 781 O O . LYS A 1 94 ? -3.154 5.883 -4.402 1.00 96.06 94 A 1 ATOM 782 C CB . LYS A 1 94 ? -4.495 7.224 -6.514 1.00 93.84 94 A 1 ATOM 783 C CG . LYS A 1 94 ? -3.894 6.297 -7.577 1.00 90.06 94 A 1 ATOM 784 C CD . LYS A 1 94 ? -3.448 7.034 -8.841 1.00 88.40 94 A 1 ATOM 785 C CE . LYS A 1 94 ? -3.016 5.962 -9.852 1.00 83.90 94 A 1 ATOM 786 N NZ . LYS A 1 94 ? -2.804 6.494 -11.222 1.00 75.78 94 A 1 ATOM 787 N N . PRO A 1 95 ? -4.882 4.504 -3.889 1.00 97.62 95 A 1 ATOM 788 C CA . PRO A 1 95 ? -4.098 3.625 -3.028 1.00 97.86 95 A 1 ATOM 789 C C . PRO A 1 95 ? -2.997 2.908 -3.814 1.00 98.12 95 A 1 ATOM 790 O O . PRO A 1 95 ? -3.149 2.581 -4.995 1.00 97.82 95 A 1 ATOM 791 C CB . PRO A 1 95 ? -5.099 2.646 -2.402 1.00 97.27 95 A 1 ATOM 792 C CG . PRO A 1 95 ? -6.252 2.613 -3.401 1.00 94.94 95 A 1 ATOM 793 C CD . PRO A 1 95 ? -6.264 4.034 -3.954 1.00 97.32 95 A 1 ATOM 794 N N . ILE A 1 96 ? -1.879 2.674 -3.137 1.00 98.26 96 A 1 ATOM 795 C CA . ILE A 1 96 ? -0.713 1.971 -3.665 1.00 98.39 96 A 1 ATOM 796 C C . ILE A 1 96 ? -0.737 0.551 -3.103 1.00 98.43 96 A 1 ATOM 797 O O . ILE A 1 96 ? -0.656 0.369 -1.892 1.00 98.30 96 A 1 ATOM 798 C CB . ILE A 1 96 ? 0.588 2.713 -3.286 1.00 98.36 96 A 1 ATOM 799 C CG1 . ILE A 1 96 ? 0.599 4.171 -3.806 1.00 97.93 96 A 1 ATOM 800 C CG2 . ILE A 1 96 ? 1.812 1.946 -3.830 1.00 97.96 96 A 1 ATOM 801 C CD1 . ILE A 1 96 ? 1.648 5.058 -3.118 1.00 97.11 96 A 1 ATOM 802 N N . PHE A 1 97 ? -0.814 -0.451 -3.966 1.00 98.19 97 A 1 ATOM 803 C CA . PHE A 1 97 ? -0.749 -1.857 -3.593 1.00 98.19 97 A 1 ATOM 804 C C . PHE A 1 97 ? 0.614 -2.427 -3.971 1.00 98.05 97 A 1 ATOM 805 O O . PHE A 1 97 ? 0.995 -2.414 -5.141 1.00 97.57 97 A 1 ATOM 806 C CB . PHE A 1 97 ? -1.898 -2.623 -4.249 1.00 98.03 97 A 1 ATOM 807 C CG . PHE A 1 97 ? -3.264 -2.187 -3.759 1.00 97.94 97 A 1 ATOM 808 C CD1 . PHE A 1 97 ? -3.728 -2.597 -2.498 1.00 96.88 97 A 1 ATOM 809 C CD2 . PHE A 1 97 ? -4.076 -1.351 -4.550 1.00 96.78 97 A 1 ATOM 810 C CE1 . PHE A 1 97 ? -4.989 -2.192 -2.031 1.00 96.01 97 A 1 ATOM 811 C CE2 . PHE A 1 97 ? -5.339 -0.941 -4.086 1.00 95.89 97 A 1 ATOM 812 C CZ . PHE A 1 97 ? -5.796 -1.366 -2.824 1.00 96.46 97 A 1 ATOM 813 N N . ILE A 1 98 ? 1.338 -2.935 -2.979 1.00 98.22 98 A 1 ATOM 814 C CA . ILE A 1 98 ? 2.568 -3.695 -3.202 1.00 98.31 98 A 1 ATOM 815 C C . ILE A 1 98 ? 2.200 -5.175 -3.216 1.00 98.12 98 A 1 ATOM 816 O O . ILE A 1 98 ? 1.655 -5.682 -2.241 1.00 97.84 98 A 1 ATOM 817 C CB . ILE A 1 98 ? 3.643 -3.362 -2.150 1.00 98.46 98 A 1 ATOM 818 C CG1 . ILE A 1 98 ? 4.019 -1.863 -2.231 1.00 98.22 98 A 1 ATOM 819 C CG2 . ILE A 1 98 ? 4.877 -4.260 -2.356 1.00 98.33 98 A 1 ATOM 820 C CD1 . ILE A 1 98 ? 4.974 -1.391 -1.126 1.00 97.91 98 A 1 ATOM 821 N N . ILE A 1 99 ? 2.521 -5.865 -4.300 1.00 97.52 99 A 1 ATOM 822 C CA . ILE A 1 99 ? 2.342 -7.311 -4.434 1.00 97.31 99 A 1 ATOM 823 C C . ILE A 1 99 ? 3.704 -7.996 -4.515 1.00 97.60 99 A 1 ATOM 824 O O . ILE A 1 99 ? 4.652 -7.453 -5.091 1.00 97.33 99 A 1 ATOM 825 C CB . ILE A 1 99 ? 1.421 -7.671 -5.625 1.00 96.17 99 A 1 ATOM 826 C CG1 . ILE A 1 99 ? 1.989 -7.192 -6.979 1.00 86.54 99 A 1 ATOM 827 C CG2 . ILE A 1 99 ? 0.008 -7.118 -5.380 1.00 82.09 99 A 1 ATOM 828 C CD1 . ILE A 1 99 ? 1.179 -7.655 -8.197 1.00 76.98 99 A 1 ATOM 829 N N . PHE A 1 100 ? 3.814 -9.210 -3.966 1.00 97.47 100 A 1 ATOM 830 C CA . PHE A 1 100 ? 5.023 -10.015 -4.100 1.00 97.47 100 A 1 ATOM 831 C C . PHE A 1 100 ? 4.941 -10.877 -5.359 1.00 96.90 100 A 1 ATOM 832 O O . PHE A 1 100 ? 4.012 -11.661 -5.515 1.00 95.91 100 A 1 ATOM 833 C CB . PHE A 1 100 ? 5.236 -10.859 -2.841 1.00 97.46 100 A 1 ATOM 834 C CG . PHE A 1 100 ? 5.504 -10.038 -1.599 1.00 97.77 100 A 1 ATOM 835 C CD1 . PHE A 1 100 ? 6.727 -9.358 -1.451 1.00 96.98 100 A 1 ATOM 836 C CD2 . PHE A 1 100 ? 4.533 -9.940 -0.586 1.00 96.97 100 A 1 ATOM 837 C CE1 . PHE A 1 100 ? 6.981 -8.594 -0.300 1.00 96.64 100 A 1 ATOM 838 C CE2 . PHE A 1 100 ? 4.781 -9.178 0.567 1.00 96.66 100 A 1 ATOM 839 C CZ . PHE A 1 100 ? 6.008 -8.505 0.710 1.00 96.96 100 A 1 ATOM 840 N N . GLN A 1 101 ? 5.939 -10.785 -6.229 1.00 96.50 101 A 1 ATOM 841 C CA . GLN A 1 101 ? 5.984 -11.562 -7.475 1.00 95.99 101 A 1 ATOM 842 C C . GLN A 1 101 ? 5.908 -13.075 -7.218 1.00 95.40 101 A 1 ATOM 843 O O . GLN A 1 101 ? 5.245 -13.796 -7.963 1.00 94.41 101 A 1 ATOM 844 C CB . GLN A 1 101 ? 7.274 -11.202 -8.227 1.00 95.28 101 A 1 ATOM 845 C CG . GLN A 1 101 ? 7.331 -11.840 -9.622 1.00 88.58 101 A 1 ATOM 846 C CD . GLN A 1 101 ? 8.619 -11.493 -10.375 1.00 84.30 101 A 1 ATOM 847 O OE1 . GLN A 1 101 ? 9.582 -10.971 -9.839 1.00 76.50 101 A 1 ATOM 848 N NE2 . GLN A 1 101 ? 8.684 -11.788 -11.653 1.00 73.70 101 A 1 ATOM 849 N N . SER A 1 102 ? 6.537 -13.553 -6.137 1.00 95.37 102 A 1 ATOM 850 C CA . SER A 1 102 ? 6.509 -14.962 -5.724 1.00 94.77 102 A 1 ATOM 851 C C . SER A 1 102 ? 5.117 -15.452 -5.315 1.00 94.69 102 A 1 ATOM 852 O O . SER A 1 102 ? 4.855 -16.647 -5.391 1.00 93.15 102 A 1 ATOM 853 C CB . SER A 1 102 ? 7.480 -15.177 -4.557 1.00 94.12 102 A 1 ATOM 854 O OG . SER A 1 102 ? 7.198 -14.278 -3.499 1.00 90.54 102 A 1 ATOM 855 N N . GLN A 1 103 ? 4.228 -14.543 -4.905 1.00 94.52 103 A 1 ATOM 856 C CA . GLN A 1 103 ? 2.874 -14.842 -4.425 1.00 93.74 103 A 1 ATOM 857 C C . GLN A 1 103 ? 1.792 -14.482 -5.454 1.00 93.18 103 A 1 ATOM 858 O O . GLN A 1 103 ? 0.632 -14.829 -5.274 1.00 91.12 103 A 1 ATOM 859 C CB . GLN A 1 103 ? 2.629 -14.104 -3.101 1.00 92.44 103 A 1 ATOM 860 C CG . GLN A 1 103 ? 3.605 -14.520 -1.987 1.00 91.22 103 A 1 ATOM 861 C CD . GLN A 1 103 ? 3.380 -13.745 -0.688 1.00 92.15 103 A 1 ATOM 862 O OE1 . GLN A 1 103 ? 2.512 -12.901 -0.570 1.00 88.20 103 A 1 ATOM 863 N NE2 . GLN A 1 103 ? 4.174 -13.991 0.334 1.00 88.25 103 A 1 ATOM 864 N N . GLN A 1 104 ? 2.151 -13.822 -6.552 1.00 91.07 104 A 1 ATOM 865 C CA . GLN A 1 104 ? 1.179 -13.298 -7.520 1.00 89.50 104 A 1 ATOM 866 C C . GLN A 1 104 ? 0.237 -14.377 -8.083 1.00 89.67 104 A 1 ATOM 867 O O . GLN A 1 104 ? -0.947 -14.115 -8.300 1.00 87.86 104 A 1 ATOM 868 C CB . GLN A 1 104 ? 1.947 -12.593 -8.640 1.00 86.09 104 A 1 ATOM 869 C CG . GLN A 1 104 ? 1.010 -11.863 -9.615 1.00 77.57 104 A 1 ATOM 870 C CD . GLN A 1 104 ? 1.760 -11.092 -10.700 1.00 74.49 104 A 1 ATOM 871 O OE1 . GLN A 1 104 ? 2.969 -11.135 -10.829 1.00 68.05 104 A 1 ATOM 872 N NE2 . GLN A 1 104 ? 1.056 -10.354 -11.530 1.00 64.70 104 A 1 ATOM 873 N N . LYS A 1 105 ? 0.732 -15.604 -8.290 1.00 91.38 105 A 1 ATOM 874 C CA . LYS A 1 105 ? -0.071 -16.741 -8.779 1.00 91.68 105 A 1 ATOM 875 C C . LYS A 1 105 ? -1.063 -17.286 -7.741 1.00 92.31 105 A 1 ATOM 876 O O . LYS A 1 105 ? -1.946 -18.045 -8.114 1.00 90.09 105 A 1 ATOM 877 C CB . LYS A 1 105 ? 0.851 -17.874 -9.254 1.00 90.38 105 A 1 ATOM 878 C CG . LYS A 1 105 ? 1.669 -17.496 -10.499 1.00 82.16 105 A 1 ATOM 879 C CD . LYS A 1 105 ? 2.466 -18.714 -10.974 1.00 75.36 105 A 1 ATOM 880 C CE . LYS A 1 105 ? 3.276 -18.380 -12.228 1.00 65.02 105 A 1 ATOM 881 N NZ . LYS A 1 105 ? 4.045 -19.557 -12.709 1.00 55.54 105 A 1 ATOM 882 N N . GLN A 1 106 ? -0.897 -16.938 -6.465 1.00 90.89 106 A 1 ATOM 883 C CA . GLN A 1 106 ? -1.759 -17.377 -5.360 1.00 91.03 106 A 1 ATOM 884 C C . GLN A 1 106 ? -2.934 -16.413 -5.137 1.00 92.03 106 A 1 ATOM 885 O O . GLN A 1 106 ? -3.884 -16.757 -4.446 1.00 90.42 106 A 1 ATOM 886 C CB . GLN A 1 106 ? -0.913 -17.516 -4.083 1.00 88.99 106 A 1 ATOM 887 C CG . GLN A 1 106 ? 0.208 -18.561 -4.211 1.00 81.27 106 A 1 ATOM 888 C CD . GLN A 1 106 ? 1.247 -18.464 -3.090 1.00 74.62 106 A 1 ATOM 889 O OE1 . GLN A 1 106 ? 1.412 -17.460 -2.435 1.00 66.59 106 A 1 ATOM 890 N NE2 . GLN A 1 106 ? 2.026 -19.498 -2.855 1.00 63.92 106 A 1 ATOM 891 N N . ILE A 1 107 ? -2.898 -15.218 -5.731 1.00 91.08 107 A 1 ATOM 892 C CA . ILE A 1 107 ? -4.014 -14.269 -5.691 1.00 91.25 107 A 1 ATOM 893 C C . ILE A 1 107 ? -5.194 -14.877 -6.457 1.00 91.58 107 A 1 ATOM 894 O O . ILE A 1 107 ? -5.044 -15.306 -7.603 1.00 90.89 107 A 1 ATOM 895 C CB . ILE A 1 107 ? -3.603 -12.891 -6.251 1.00 90.65 107 A 1 ATOM 896 C CG1 . ILE A 1 107 ? -2.368 -12.335 -5.501 1.00 88.07 107 A 1 ATOM 897 C CG2 . ILE A 1 107 ? -4.785 -11.907 -6.148 1.00 88.30 107 A 1 ATOM 898 C CD1 . ILE A 1 107 ? -1.868 -10.976 -6.003 1.00 85.10 107 A 1 ATOM 899 N N . SER A 1 108 ? -6.377 -14.888 -5.830 1.00 93.01 108 A 1 ATOM 900 C CA . SER A 1 108 ? -7.578 -15.449 -6.444 1.00 92.86 108 A 1 ATOM 901 C C . SER A 1 108 ? -7.925 -14.730 -7.753 1.00 93.49 108 A 1 ATOM 902 O O . SER A 1 108 ? -7.583 -13.563 -7.979 1.00 93.00 108 A 1 ATOM 903 C CB . SER A 1 108 ? -8.762 -15.441 -5.461 1.00 91.27 108 A 1 ATOM 904 O OG . SER A 1 108 ? -9.324 -14.148 -5.350 1.00 87.12 108 A 1 ATOM 905 N N . GLN A 1 109 ? -8.624 -15.431 -8.648 1.00 93.23 109 A 1 ATOM 906 C CA . GLN A 1 109 ? -9.067 -14.839 -9.913 1.00 93.51 109 A 1 ATOM 907 C C . GLN A 1 109 ? -10.017 -13.659 -9.685 1.00 94.27 109 A 1 ATOM 908 O O . GLN A 1 109 ? -9.889 -12.645 -10.375 1.00 93.76 109 A 1 ATOM 909 C CB . GLN A 1 109 ? -9.744 -15.899 -10.785 1.00 92.58 109 A 1 ATOM 910 C CG . GLN A 1 109 ? -8.749 -16.947 -11.314 1.00 81.16 109 A 1 ATOM 911 C CD . GLN A 1 109 ? -9.412 -17.932 -12.285 1.00 73.44 109 A 1 ATOM 912 O OE1 . GLN A 1 109 ? -10.611 -17.949 -12.493 1.00 66.48 109 A 1 ATOM 913 N NE2 . GLN A 1 109 ? -8.649 -18.787 -12.925 1.00 63.00 109 A 1 ATOM 914 N N . ASP A 1 110 ? -10.914 -13.759 -8.695 1.00 94.09 110 A 1 ATOM 915 C CA . ASP A 1 110 ? -11.856 -12.690 -8.358 1.00 94.04 110 A 1 ATOM 916 C C . ASP A 1 110 ? -11.119 -11.424 -7.889 1.00 95.02 110 A 1 ATOM 917 O O . ASP A 1 110 ? -11.260 -10.362 -8.502 1.00 94.54 110 A 1 ATOM 918 C CB . ASP A 1 110 ? -12.865 -13.184 -7.311 1.00 92.47 110 A 1 ATOM 919 C CG . ASP A 1 110 ? -13.883 -12.078 -7.006 1.00 78.25 110 A 1 ATOM 920 O OD1 . ASP A 1 110 ? -14.624 -11.704 -7.944 1.00 71.07 110 A 1 ATOM 921 O OD2 . ASP A 1 110 ? -13.852 -11.558 -5.876 1.00 69.60 110 A 1 ATOM 922 N N . ILE A 1 111 ? -10.223 -11.536 -6.905 1.00 94.94 111 A 1 ATOM 923 C CA . ILE A 1 111 ? -9.414 -10.399 -6.431 1.00 95.38 111 A 1 ATOM 924 C C . ILE A 1 111 ? -8.586 -9.799 -7.575 1.00 95.63 111 A 1 ATOM 925 O O . ILE A 1 111 ? -8.558 -8.582 -7.771 1.00 95.51 111 A 1 ATOM 926 C CB . ILE A 1 111 ? -8.524 -10.830 -5.242 1.00 95.38 111 A 1 ATOM 927 C CG1 . ILE A 1 111 ? -9.419 -11.108 -4.012 1.00 94.34 111 A 1 ATOM 928 C CG2 . ILE A 1 111 ? -7.461 -9.759 -4.926 1.00 94.49 111 A 1 ATOM 929 C CD1 . ILE A 1 111 ? -8.682 -11.676 -2.797 1.00 91.10 111 A 1 ATOM 930 N N . SER A 1 112 ? -7.960 -10.645 -8.392 1.00 94.76 112 A 1 ATOM 931 C CA . SER A 1 112 ? -7.201 -10.192 -9.561 1.00 94.13 112 A 1 ATOM 932 C C . SER A 1 112 ? -8.070 -9.445 -10.583 1.00 94.67 112 A 1 ATOM 933 O O . SER A 1 112 ? -7.590 -8.535 -11.264 1.00 94.43 112 A 1 ATOM 934 C CB . SER A 1 112 ? -6.552 -11.386 -10.266 1.00 92.57 112 A 1 ATOM 935 O OG . SER A 1 112 ? -5.624 -12.037 -9.427 1.00 79.29 112 A 1 ATOM 936 N N . GLN A 1 113 ? -9.338 -9.830 -10.716 1.00 94.92 113 A 1 ATOM 937 C CA . GLN A 1 113 ? -10.304 -9.147 -11.568 1.00 95.13 113 A 1 ATOM 938 C C . GLN A 1 113 ? -10.720 -7.803 -10.966 1.00 95.49 113 A 1 ATOM 939 O O . GLN A 1 113 ? -10.699 -6.803 -11.685 1.00 95.44 113 A 1 ATOM 940 C CB . GLN A 1 113 ? -11.496 -10.072 -11.836 1.00 94.82 113 A 1 ATOM 941 C CG . GLN A 1 113 ? -12.508 -9.439 -12.808 1.00 82.14 113 A 1 ATOM 942 C CD . GLN A 1 113 ? -13.670 -10.381 -13.148 1.00 76.51 113 A 1 ATOM 943 O OE1 . GLN A 1 113 ? -13.740 -11.514 -12.727 1.00 69.21 113 A 1 ATOM 944 N NE2 . GLN A 1 113 ? -14.621 -9.938 -13.941 1.00 64.77 113 A 1 ATOM 945 N N . GLN A 1 114 ? -11.017 -7.742 -9.663 1.00 95.69 114 A 1 ATOM 946 C CA . GLN A 1 114 ? -11.361 -6.490 -8.969 1.00 95.74 114 A 1 ATOM 947 C C . GLN A 1 114 ? -10.235 -5.454 -9.097 1.00 95.89 114 A 1 ATOM 948 O O . GLN A 1 114 ? -10.478 -4.302 -9.463 1.00 95.37 114 A 1 ATOM 949 C CB . GLN A 1 114 ? -11.649 -6.745 -7.473 1.00 95.55 114 A 1 ATOM 950 C CG . GLN A 1 114 ? -12.827 -7.687 -7.161 1.00 91.31 114 A 1 ATOM 951 C CD . GLN A 1 114 ? -14.144 -7.271 -7.788 1.00 86.61 114 A 1 ATOM 952 O OE1 . GLN A 1 114 ? -14.503 -6.109 -7.872 1.00 76.36 114 A 1 ATOM 953 N NE2 . GLN A 1 114 ? -14.915 -8.233 -8.251 1.00 73.61 114 A 1 ATOM 954 N N . LEU A 1 115 ? -8.991 -5.869 -8.875 1.00 96.00 115 A 1 ATOM 955 C CA . LEU A 1 115 ? -7.824 -4.995 -9.029 1.00 95.65 115 A 1 ATOM 956 C C . LEU A 1 115 ? -7.688 -4.480 -10.469 1.00 95.50 115 A 1 ATOM 957 O O . LEU A 1 115 ? -7.472 -3.287 -10.678 1.00 94.99 115 A 1 ATOM 958 C CB . LEU A 1 115 ? -6.553 -5.748 -8.598 1.00 95.77 115 A 1 ATOM 959 C CG . LEU A 1 115 ? -6.454 -6.049 -7.091 1.00 95.35 115 A 1 ATOM 960 C CD1 . LEU A 1 115 ? -5.262 -6.972 -6.839 1.00 94.54 115 A 1 ATOM 961 C CD2 . LEU A 1 115 ? -6.267 -4.784 -6.257 1.00 94.34 115 A 1 ATOM 962 N N . ARG A 1 116 ? -7.870 -5.346 -11.478 1.00 94.90 116 A 1 ATOM 963 C CA . ARG A 1 116 ? -7.817 -4.935 -12.894 1.00 94.27 116 A 1 ATOM 964 C C . ARG A 1 116 ? -8.934 -3.960 -13.267 1.00 94.53 116 A 1 ATOM 965 O O . ARG A 1 116 ? -8.667 -3.004 -13.988 1.00 93.89 116 A 1 ATOM 966 C CB . ARG A 1 116 ? -7.850 -6.157 -13.815 1.00 93.03 116 A 1 ATOM 967 C CG . ARG A 1 116 ? -6.467 -6.814 -13.912 1.00 80.70 116 A 1 ATOM 968 C CD . ARG A 1 116 ? -6.467 -7.984 -14.899 1.00 78.32 116 A 1 ATOM 969 N NE . ARG A 1 116 ? -7.248 -9.123 -14.391 1.00 67.97 116 A 1 ATOM 970 C CZ . ARG A 1 116 ? -7.256 -10.354 -14.882 1.00 60.62 116 A 1 ATOM 971 N NH1 . ARG A 1 116 ? -6.545 -10.676 -15.929 1.00 55.36 116 A 1 ATOM 972 N NH2 . ARG A 1 116 ? -7.975 -11.287 -14.315 1.00 53.54 116 A 1 ATOM 973 N N . GLN A 1 117 ? -10.154 -4.181 -12.774 1.00 95.13 117 A 1 ATOM 974 C CA . GLN A 1 117 ? -11.288 -3.285 -13.030 1.00 95.11 117 A 1 ATOM 975 C C . GLN A 1 117 ? -11.045 -1.868 -12.493 1.00 95.19 117 A 1 ATOM 976 O O . GLN A 1 117 ? -11.493 -0.896 -13.098 1.00 94.21 117 A 1 ATOM 977 C CB . GLN A 1 117 ? -12.554 -3.869 -12.392 1.00 94.30 117 A 1 ATOM 978 C CG . GLN A 1 117 ? -13.131 -5.040 -13.207 1.00 83.21 117 A 1 ATOM 979 C CD . GLN A 1 117 ? -14.335 -5.697 -12.523 1.00 79.84 117 A 1 ATOM 980 O OE1 . GLN A 1 117 ? -14.651 -5.463 -11.372 1.00 73.33 117 A 1 ATOM 981 N NE2 . GLN A 1 117 ? -15.056 -6.549 -13.218 1.00 69.91 117 A 1 ATOM 982 N N . HIS A 1 118 ? -10.295 -1.743 -11.401 1.00 95.72 118 A 1 ATOM 983 C CA . HIS A 1 118 ? -9.991 -0.466 -10.760 1.00 95.55 118 A 1 ATOM 984 C C . HIS A 1 118 ? -8.577 0.048 -11.066 1.00 95.82 118 A 1 ATOM 985 O O . HIS A 1 118 ? -8.115 0.995 -10.427 1.00 94.46 118 A 1 ATOM 986 C CB . HIS A 1 118 ? -10.275 -0.577 -9.259 1.00 94.85 118 A 1 ATOM 987 C CG . HIS A 1 118 ? -11.720 -0.866 -8.971 1.00 93.16 118 A 1 ATOM 988 N ND1 . HIS A 1 118 ? -12.297 -2.114 -8.897 1.00 81.88 118 A 1 ATOM 989 C CD2 . HIS A 1 118 ? -12.732 0.050 -8.803 1.00 81.89 118 A 1 ATOM 990 C CE1 . HIS A 1 118 ? -13.613 -1.957 -8.687 1.00 83.43 118 A 1 ATOM 991 N NE2 . HIS A 1 118 ? -13.916 -0.658 -8.622 1.00 85.57 118 A 1 ATOM 992 N N . GLN A 1 119 ? -7.882 -0.529 -12.052 1.00 94.22 119 A 1 ATOM 993 C CA . GLN A 1 119 ? -6.499 -0.175 -12.400 1.00 93.23 119 A 1 ATOM 994 C C . GLN A 1 119 ? -6.268 1.345 -12.588 1.00 94.07 119 A 1 ATOM 995 O O . GLN A 1 119 ? -5.246 1.846 -12.096 1.00 93.11 119 A 1 ATOM 996 C CB . GLN A 1 119 ? -6.070 -1.013 -13.619 1.00 90.53 119 A 1 ATOM 997 C CG . GLN A 1 119 ? -4.578 -0.891 -13.972 1.00 76.97 119 A 1 ATOM 998 C CD . GLN A 1 119 ? -4.208 0.355 -14.777 1.00 70.77 119 A 1 ATOM 999 O OE1 . GLN A 1 119 ? -5.021 0.996 -15.417 1.00 63.51 119 A 1 ATOM 1000 N NE2 . GLN A 1 119 ? -2.952 0.742 -14.774 1.00 60.05 119 A 1 ATOM 1001 N N . PRO A 1 120 ? -7.186 2.128 -13.189 1.00 94.47 120 A 1 ATOM 1002 C CA . PRO A 1 120 ? -7.013 3.583 -13.298 1.00 94.73 120 A 1 ATOM 1003 C C . PRO A 1 120 ? -7.009 4.320 -11.950 1.00 95.31 120 A 1 ATOM 1004 O O . PRO A 1 120 ? -6.384 5.377 -11.811 1.00 93.30 120 A 1 ATOM 1005 C CB . PRO A 1 120 ? -8.175 4.056 -14.181 1.00 93.14 120 A 1 ATOM 1006 C CG . PRO A 1 120 ? -8.599 2.806 -14.949 1.00 89.88 120 A 1 ATOM 1007 C CD . PRO A 1 120 ? -8.364 1.703 -13.928 1.00 92.90 120 A 1 ATOM 1008 N N . SER A 1 121 ? -7.690 3.758 -10.945 1.00 96.68 121 A 1 ATOM 1009 C CA . SER A 1 121 ? -7.908 4.352 -9.621 1.00 97.06 121 A 1 ATOM 1010 C C . SER A 1 121 ? -6.922 3.866 -8.559 1.00 97.43 121 A 1 ATOM 1011 O O . SER A 1 121 ? -6.942 4.362 -7.430 1.00 96.61 121 A 1 ATOM 1012 C CB . SER A 1 121 ? -9.343 4.078 -9.159 1.00 96.12 121 A 1 ATOM 1013 O OG . SER A 1 121 ? -10.262 4.615 -10.094 1.00 89.28 121 A 1 ATOM 1014 N N . ILE A 1 122 ? -6.044 2.927 -8.903 1.00 97.85 122 A 1 ATOM 1015 C CA . ILE A 1 122 ? -5.041 2.360 -7.996 1.00 97.89 122 A 1 ATOM 1016 C C . ILE A 1 122 ? -3.635 2.441 -8.600 1.00 97.75 122 A 1 ATOM 1017 O O . ILE A 1 122 ? -3.445 2.768 -9.773 1.00 97.13 122 A 1 ATOM 1018 C CB . ILE A 1 122 ? -5.430 0.926 -7.552 1.00 97.64 122 A 1 ATOM 1019 C CG1 . ILE A 1 122 ? -5.343 -0.082 -8.715 1.00 96.61 122 A 1 ATOM 1020 C CG2 . ILE A 1 122 ? -6.829 0.933 -6.902 1.00 95.69 122 A 1 ATOM 1021 C CD1 . ILE A 1 122 ? -5.684 -1.528 -8.326 1.00 95.39 122 A 1 ATOM 1022 N N . THR A 1 123 ? -2.623 2.172 -7.795 1.00 97.61 123 A 1 ATOM 1023 C CA . THR A 1 123 ? -1.256 1.943 -8.268 1.00 97.61 123 A 1 ATOM 1024 C C . THR A 1 123 ? -0.807 0.584 -7.766 1.00 97.77 123 A 1 ATOM 1025 O O . THR A 1 123 ? -0.783 0.368 -6.565 1.00 97.43 123 A 1 ATOM 1026 C CB . THR A 1 123 ? -0.308 3.051 -7.790 1.00 97.19 123 A 1 ATOM 1027 O OG1 . THR A 1 123 ? -0.766 4.306 -8.261 1.00 94.82 123 A 1 ATOM 1028 C CG2 . THR A 1 123 ? 1.111 2.870 -8.317 1.00 95.08 123 A 1 ATOM 1029 N N . MET A 1 124 ? -0.460 -0.332 -8.656 1.00 96.87 124 A 1 ATOM 1030 C CA . MET A 1 124 ? 0.103 -1.632 -8.284 1.00 96.57 124 A 1 ATOM 1031 C C . MET A 1 124 ? 1.593 -1.641 -8.594 1.00 96.83 124 A 1 ATOM 1032 O O . MET A 1 124 ? 1.990 -1.270 -9.699 1.00 96.23 124 A 1 ATOM 1033 C CB . MET A 1 124 ? -0.614 -2.772 -9.010 1.00 95.32 124 A 1 ATOM 1034 C CG . MET A 1 124 ? -2.086 -2.882 -8.592 1.00 86.63 124 A 1 ATOM 1035 S SD . MET A 1 124 ? -2.968 -4.316 -9.269 1.00 80.20 124 A 1 ATOM 1036 C CE . MET A 1 124 ? -2.937 -3.939 -11.039 1.00 68.99 124 A 1 ATOM 1037 N N . ILE A 1 125 ? 2.410 -2.061 -7.617 1.00 97.31 125 A 1 ATOM 1038 C CA . ILE A 1 125 ? 3.862 -2.173 -7.778 1.00 97.54 125 A 1 ATOM 1039 C C . ILE A 1 125 ? 4.285 -3.568 -7.325 1.00 97.50 125 A 1 ATOM 1040 O O . ILE A 1 125 ? 3.911 -4.017 -6.246 1.00 97.32 125 A 1 ATOM 1041 C CB . ILE A 1 125 ? 4.618 -1.065 -7.008 1.00 97.67 125 A 1 ATOM 1042 C CG1 . ILE A 1 125 ? 4.025 0.340 -7.277 1.00 95.79 125 A 1 ATOM 1043 C CG2 . ILE A 1 125 ? 6.105 -1.100 -7.417 1.00 94.44 125 A 1 ATOM 1044 C CD1 . ILE A 1 125 ? 4.720 1.476 -6.522 1.00 95.04 125 A 1 ATOM 1045 N N . THR A 1 126 ? 5.066 -4.260 -8.137 1.00 97.28 126 A 1 ATOM 1046 C CA . THR A 1 126 ? 5.503 -5.627 -7.841 1.00 97.40 126 A 1 ATOM 1047 C C . THR A 1 126 ? 6.889 -5.632 -7.207 1.00 97.85 126 A 1 ATOM 1048 O O . THR A 1 126 ? 7.857 -5.137 -7.790 1.00 97.80 126 A 1 ATOM 1049 C CB . THR A 1 126 ? 5.463 -6.511 -9.094 1.00 96.47 126 A 1 ATOM 1050 O OG1 . THR A 1 126 ? 4.177 -6.473 -9.670 1.00 92.05 126 A 1 ATOM 1051 C CG2 . THR A 1 126 ? 5.754 -7.977 -8.774 1.00 92.07 126 A 1 ATOM 1052 N N . TRP A 1 127 ? 7.001 -6.240 -6.019 1.00 97.91 127 A 1 ATOM 1053 C CA . TRP A 1 127 ? 8.273 -6.577 -5.392 1.00 98.08 127 A 1 ATOM 1054 C C . TRP A 1 127 ? 8.739 -7.954 -5.863 1.00 97.93 127 A 1 ATOM 1055 O O . TRP A 1 127 ? 8.079 -8.966 -5.631 1.00 97.49 127 A 1 ATOM 1056 C CB . TRP A 1 127 ? 8.146 -6.526 -3.870 1.00 98.13 127 A 1 ATOM 1057 C CG . TRP A 1 127 ? 9.425 -6.870 -3.166 1.00 98.23 127 A 1 ATOM 1058 C CD1 . TRP A 1 127 ? 9.779 -8.100 -2.725 1.00 97.75 127 A 1 ATOM 1059 C CD2 . TRP A 1 127 ? 10.554 -5.992 -2.875 1.00 98.12 127 A 1 ATOM 1060 N NE1 . TRP A 1 127 ? 11.052 -8.043 -2.164 1.00 97.49 127 A 1 ATOM 1061 C CE2 . TRP A 1 127 ? 11.564 -6.769 -2.243 1.00 97.84 127 A 1 ATOM 1062 C CE3 . TRP A 1 127 ? 10.813 -4.624 -3.088 1.00 97.74 127 A 1 ATOM 1063 C CZ2 . TRP A 1 127 ? 12.800 -6.208 -1.843 1.00 97.42 127 A 1 ATOM 1064 C CZ3 . TRP A 1 127 ? 12.042 -4.067 -2.684 1.00 97.27 127 A 1 ATOM 1065 C CH2 . TRP A 1 127 ? 13.026 -4.856 -2.071 1.00 97.22 127 A 1 ATOM 1066 N N . GLY A 1 128 ? 9.891 -8.011 -6.507 1.00 97.15 128 A 1 ATOM 1067 C CA . GLY A 1 128 ? 10.497 -9.236 -7.015 1.00 96.78 128 A 1 ATOM 1068 C C . GLY A 1 128 ? 11.945 -9.413 -6.567 1.00 97.25 128 A 1 ATOM 1069 O O . GLY A 1 128 ? 12.511 -8.565 -5.878 1.00 96.37 128 A 1 ATOM 1070 N N . ALA A 1 129 ? 12.577 -10.502 -7.003 1.00 94.22 129 A 1 ATOM 1071 C CA . ALA A 1 129 ? 13.941 -10.870 -6.602 1.00 93.11 129 A 1 ATOM 1072 C C . ALA A 1 129 ? 14.990 -9.773 -6.877 1.00 93.06 129 A 1 ATOM 1073 O O . ALA A 1 129 ? 15.933 -9.607 -6.112 1.00 89.28 129 A 1 ATOM 1074 C CB . ALA A 1 129 ? 14.302 -12.167 -7.334 1.00 90.37 129 A 1 ATOM 1075 N N . HIS A 1 130 ? 14.799 -8.984 -7.934 1.00 94.17 130 A 1 ATOM 1076 C CA . HIS A 1 130 ? 15.733 -7.918 -8.317 1.00 94.69 130 A 1 ATOM 1077 C C . HIS A 1 130 ? 15.341 -6.528 -7.789 1.00 95.95 130 A 1 ATOM 1078 O O . HIS A 1 130 ? 16.022 -5.542 -8.076 1.00 94.37 130 A 1 ATOM 1079 C CB . HIS A 1 130 ? 15.909 -7.935 -9.838 1.00 92.05 130 A 1 ATOM 1080 C CG . HIS A 1 130 ? 16.376 -9.274 -10.343 1.00 86.19 130 A 1 ATOM 1081 N ND1 . HIS A 1 130 ? 17.558 -9.903 -10.004 1.00 73.39 130 A 1 ATOM 1082 C CD2 . HIS A 1 130 ? 15.693 -10.136 -11.162 1.00 72.92 130 A 1 ATOM 1083 C CE1 . HIS A 1 130 ? 17.582 -11.100 -10.605 1.00 71.55 130 A 1 ATOM 1084 N NE2 . HIS A 1 130 ? 16.464 -11.280 -11.320 1.00 72.53 130 A 1 ATOM 1085 N N . SER A 1 131 ? 14.264 -6.436 -7.003 1.00 97.10 131 A 1 ATOM 1086 C CA . SER A 1 131 ? 13.736 -5.144 -6.549 1.00 97.57 131 A 1 ATOM 1087 C C . SER A 1 131 ? 14.562 -4.495 -5.437 1.00 97.44 131 A 1 ATOM 1088 O O . SER A 1 131 ? 14.458 -3.291 -5.245 1.00 96.63 131 A 1 ATOM 1089 C CB . SER A 1 131 ? 12.282 -5.285 -6.094 1.00 97.46 131 A 1 ATOM 1090 O OG . SER A 1 131 ? 11.481 -5.738 -7.171 1.00 96.68 131 A 1 ATOM 1091 N N . MET A 1 132 ? 15.411 -5.260 -4.740 1.00 96.61 132 A 1 ATOM 1092 C CA . MET A 1 132 ? 16.191 -4.749 -3.603 1.00 95.57 132 A 1 ATOM 1093 C C . MET A 1 132 ? 17.179 -3.641 -3.998 1.00 95.30 132 A 1 ATOM 1094 O O . MET A 1 132 ? 17.441 -2.726 -3.219 1.00 93.83 132 A 1 ATOM 1095 C CB . MET A 1 132 ? 16.929 -5.920 -2.939 1.00 93.61 132 A 1 ATOM 1096 C CG . MET A 1 132 ? 17.549 -5.525 -1.594 1.00 84.01 132 A 1 ATOM 1097 S SD . MET A 1 132 ? 18.415 -6.873 -0.738 1.00 78.81 132 A 1 ATOM 1098 C CE . MET A 1 132 ? 17.040 -7.947 -0.275 1.00 69.16 132 A 1 ATOM 1099 N N . THR A 1 133 ? 17.722 -3.696 -5.213 1.00 95.60 133 A 1 ATOM 1100 C CA . THR A 1 133 ? 18.678 -2.679 -5.664 1.00 95.82 133 A 1 ATOM 1101 C C . THR A 1 133 ? 18.009 -1.302 -5.742 1.00 96.10 133 A 1 ATOM 1102 O O . THR A 1 133 ? 16.900 -1.183 -6.263 1.00 95.28 133 A 1 ATOM 1103 C CB . THR A 1 133 ? 19.319 -3.021 -7.016 1.00 94.27 133 A 1 ATOM 1104 O OG1 . THR A 1 133 ? 18.359 -3.111 -8.038 1.00 83.49 133 A 1 ATOM 1105 C CG2 . THR A 1 133 ? 20.084 -4.340 -6.976 1.00 81.84 133 A 1 ATOM 1106 N N . PRO A 1 134 ? 18.680 -0.227 -5.307 1.00 93.86 134 A 1 ATOM 1107 C CA . PRO A 1 134 ? 18.080 1.117 -5.288 1.00 92.79 134 A 1 ATOM 1108 C C . PRO A 1 134 ? 17.623 1.651 -6.647 1.00 93.36 134 A 1 ATOM 1109 O O . PRO A 1 134 ? 16.776 2.540 -6.724 1.00 91.75 134 A 1 ATOM 1110 C CB . PRO A 1 134 ? 19.180 2.012 -4.723 1.00 90.60 134 A 1 ATOM 1111 C CG . PRO A 1 134 ? 19.998 1.071 -3.842 1.00 88.18 134 A 1 ATOM 1112 C CD . PRO A 1 134 ? 19.960 -0.231 -4.618 1.00 91.63 134 A 1 ATOM 1113 N N . SER A 1 135 ? 18.208 1.129 -7.726 1.00 94.37 135 A 1 ATOM 1114 C CA . SER A 1 135 ? 17.888 1.488 -9.109 1.00 94.92 135 A 1 ATOM 1115 C C . SER A 1 135 ? 16.812 0.599 -9.742 1.00 95.68 135 A 1 ATOM 1116 O O . SER A 1 135 ? 16.527 0.766 -10.932 1.00 94.51 135 A 1 ATOM 1117 C CB . SER A 1 135 ? 19.176 1.459 -9.940 1.00 93.63 135 A 1 ATOM 1118 O OG . SER A 1 135 ? 19.772 0.178 -9.856 1.00 88.77 135 A 1 ATOM 1119 N N . SER A 1 136 ? 16.220 -0.334 -8.984 1.00 96.71 136 A 1 ATOM 1120 C CA . SER A 1 136 ? 15.188 -1.241 -9.487 1.00 97.15 136 A 1 ATOM 1121 C C . SER A 1 136 ? 13.922 -0.502 -9.937 1.00 97.47 136 A 1 ATOM 1122 O O . SER A 1 136 ? 13.665 0.634 -9.529 1.00 97.33 136 A 1 ATOM 1123 C CB . SER A 1 136 ? 14.843 -2.310 -8.444 1.00 96.85 136 A 1 ATOM 1124 O OG . SER A 1 136 ? 14.146 -1.749 -7.354 1.00 96.01 136 A 1 ATOM 1125 N N . GLY A 1 137 ? 13.122 -1.166 -10.778 1.00 97.17 137 A 1 ATOM 1126 C CA . GLY A 1 137 ? 11.820 -0.643 -11.206 1.00 96.99 137 A 1 ATOM 1127 C C . GLY A 1 137 ? 10.900 -0.355 -10.027 1.00 97.43 137 A 1 ATOM 1128 O O . GLY A 1 137 ? 10.344 0.733 -9.960 1.00 96.93 137 A 1 ATOM 1129 N N . PHE A 1 138 ? 10.863 -1.248 -9.030 1.00 97.69 138 A 1 ATOM 1130 C CA . PHE A 1 138 ? 10.059 -1.085 -7.816 1.00 97.96 138 A 1 ATOM 1131 C C . PHE A 1 138 ? 10.287 0.272 -7.131 1.00 97.92 138 A 1 ATOM 1132 O O . PHE A 1 138 ? 9.342 1.022 -6.898 1.00 97.81 138 A 1 ATOM 1133 C CB . PHE A 1 138 ? 10.376 -2.227 -6.842 1.00 98.01 138 A 1 ATOM 1134 C CG . PHE A 1 138 ? 9.666 -2.088 -5.511 1.00 98.30 138 A 1 ATOM 1135 C CD1 . PHE A 1 138 ? 10.275 -1.408 -4.442 1.00 98.20 138 A 1 ATOM 1136 C CD2 . PHE A 1 138 ? 8.360 -2.590 -5.352 1.00 98.17 138 A 1 ATOM 1137 C CE1 . PHE A 1 138 ? 9.585 -1.225 -3.231 1.00 98.02 138 A 1 ATOM 1138 C CE2 . PHE A 1 138 ? 7.673 -2.414 -4.144 1.00 97.93 138 A 1 ATOM 1139 C CZ . PHE A 1 138 ? 8.284 -1.727 -3.085 1.00 98.08 138 A 1 ATOM 1140 N N . TRP A 1 139 ? 11.536 0.620 -6.847 1.00 97.77 139 A 1 ATOM 1141 C CA . TRP A 1 139 ? 11.847 1.873 -6.153 1.00 97.52 139 A 1 ATOM 1142 C C . TRP A 1 139 ? 11.589 3.101 -7.026 1.00 97.11 139 A 1 ATOM 1143 O O . TRP A 1 139 ? 11.157 4.130 -6.513 1.00 96.55 139 A 1 ATOM 1144 C CB . TRP A 1 139 ? 13.292 1.856 -5.663 1.00 97.31 139 A 1 ATOM 1145 C CG . TRP A 1 139 ? 13.576 0.840 -4.596 1.00 97.59 139 A 1 ATOM 1146 C CD1 . TRP A 1 139 ? 14.441 -0.188 -4.704 1.00 97.01 139 A 1 ATOM 1147 C CD2 . TRP A 1 139 ? 12.982 0.732 -3.262 1.00 97.74 139 A 1 ATOM 1148 N NE1 . TRP A 1 139 ? 14.437 -0.932 -3.528 1.00 96.93 139 A 1 ATOM 1149 C CE2 . TRP A 1 139 ? 13.549 -0.405 -2.625 1.00 97.39 139 A 1 ATOM 1150 C CE3 . TRP A 1 139 ? 12.027 1.478 -2.543 1.00 97.47 139 A 1 ATOM 1151 C CZ2 . TRP A 1 139 ? 13.177 -0.805 -1.321 1.00 97.04 139 A 1 ATOM 1152 C CZ3 . TRP A 1 139 ? 11.654 1.084 -1.239 1.00 97.15 139 A 1 ATOM 1153 C CH2 . TRP A 1 139 ? 12.222 -0.051 -0.642 1.00 97.09 139 A 1 ATOM 1154 N N . LYS A 1 140 ? 11.812 3.005 -8.334 1.00 97.18 140 A 1 ATOM 1155 C CA . LYS A 1 140 ? 11.509 4.084 -9.281 1.00 96.73 140 A 1 ATOM 1156 C C . LYS A 1 140 ? 10.005 4.346 -9.356 1.00 96.45 140 A 1 ATOM 1157 O O . LYS A 1 140 ? 9.587 5.495 -9.229 1.00 95.95 140 A 1 ATOM 1158 C CB . LYS A 1 140 ? 12.066 3.750 -10.670 1.00 96.30 140 A 1 ATOM 1159 C CG . LYS A 1 140 ? 13.598 3.840 -10.720 1.00 90.84 140 A 1 ATOM 1160 C CD . LYS A 1 140 ? 14.101 3.360 -12.089 1.00 86.57 140 A 1 ATOM 1161 C CE . LYS A 1 140 ? 15.619 3.492 -12.162 1.00 78.17 140 A 1 ATOM 1162 N NZ . LYS A 1 140 ? 16.176 2.811 -13.357 1.00 69.88 140 A 1 ATOM 1163 N N . GLU A 1 141 ? 9.207 3.294 -9.510 1.00 97.28 141 A 1 ATOM 1164 C CA . GLU A 1 141 ? 7.746 3.395 -9.550 1.00 97.10 141 A 1 ATOM 1165 C C . GLU A 1 141 ? 7.184 3.945 -8.233 1.00 97.02 141 A 1 ATOM 1166 O O . GLU A 1 141 ? 6.366 4.868 -8.245 1.00 96.59 141 A 1 ATOM 1167 C CB . GLU A 1 141 ? 7.144 2.016 -9.846 1.00 96.84 141 A 1 ATOM 1168 C CG . GLU A 1 141 ? 7.357 1.569 -11.297 1.00 88.72 141 A 1 ATOM 1169 C CD . GLU A 1 141 ? 6.915 0.118 -11.523 1.00 83.61 141 A 1 ATOM 1170 O OE1 . GLU A 1 141 ? 7.615 -0.588 -12.282 1.00 77.83 141 A 1 ATOM 1171 O OE2 . GLU A 1 141 ? 5.890 -0.292 -10.930 1.00 78.83 141 A 1 ATOM 1172 N N . LEU A 1 142 ? 7.677 3.452 -7.093 1.00 97.43 142 A 1 ATOM 1173 C CA . LEU A 1 142 ? 7.259 3.934 -5.780 1.00 97.54 142 A 1 ATOM 1174 C C . LEU A 1 142 ? 7.621 5.413 -5.578 1.00 97.19 142 A 1 ATOM 1175 O O . LEU A 1 142 ? 6.784 6.192 -5.130 1.00 96.85 142 A 1 ATOM 1176 C CB . LEU A 1 142 ? 7.856 3.019 -4.699 1.00 97.74 142 A 1 ATOM 1177 C CG . LEU A 1 142 ? 7.374 3.340 -3.270 1.00 97.57 142 A 1 ATOM 1178 C CD1 . LEU A 1 142 ? 5.859 3.247 -3.109 1.00 97.25 142 A 1 ATOM 1179 C CD2 . LEU A 1 142 ? 8.008 2.343 -2.297 1.00 97.18 142 A 1 ATOM 1180 N N . ALA A 1 143 ? 8.822 5.826 -5.962 1.00 96.76 143 A 1 ATOM 1181 C CA . ALA A 1 143 ? 9.242 7.224 -5.863 1.00 96.05 143 A 1 ATOM 1182 C C . ALA A 1 143 ? 8.387 8.174 -6.723 1.00 95.78 143 A 1 ATOM 1183 O O . ALA A 1 143 ? 8.140 9.309 -6.319 1.00 94.86 143 A 1 ATOM 1184 C CB . ALA A 1 143 ? 10.722 7.322 -6.243 1.00 95.15 143 A 1 ATOM 1185 N N . LEU A 1 144 ? 7.897 7.718 -7.882 1.00 95.83 144 A 1 ATOM 1186 C CA . LEU A 1 144 ? 7.038 8.521 -8.760 1.00 95.39 144 A 1 ATOM 1187 C C . LEU A 1 144 ? 5.664 8.817 -8.149 1.00 95.19 144 A 1 ATOM 1188 O O . LEU A 1 144 ? 5.103 9.892 -8.381 1.00 93.83 144 A 1 ATOM 1189 C CB . LEU A 1 144 ? 6.862 7.796 -10.106 1.00 94.56 144 A 1 ATOM 1190 C CG . LEU A 1 144 ? 8.096 7.831 -11.025 1.00 85.88 144 A 1 ATOM 1191 C CD1 . LEU A 1 144 ? 7.879 6.890 -12.209 1.00 82.94 144 A 1 ATOM 1192 C CD2 . LEU A 1 144 ? 8.364 9.234 -11.564 1.00 82.04 144 A 1 ATOM 1193 N N . VAL A 1 145 ? 5.111 7.872 -7.362 1.00 96.46 145 A 1 ATOM 1194 C CA . VAL A 1 145 ? 3.766 8.004 -6.774 1.00 96.41 145 A 1 ATOM 1195 C C . VAL A 1 145 ? 3.779 8.584 -5.363 1.00 96.38 145 A 1 ATOM 1196 O O . VAL A 1 145 ? 2.767 9.132 -4.911 1.00 95.54 145 A 1 ATOM 1197 C CB . VAL A 1 145 ? 2.987 6.677 -6.833 1.00 96.13 145 A 1 ATOM 1198 C CG1 . VAL A 1 145 ? 2.807 6.230 -8.286 1.00 93.06 145 A 1 ATOM 1199 C CG2 . VAL A 1 145 ? 3.650 5.553 -6.042 1.00 93.35 145 A 1 ATOM 1200 N N . MET A 1 146 ? 4.914 8.521 -4.679 1.00 96.08 146 A 1 ATOM 1201 C CA . MET A 1 146 ? 5.110 9.160 -3.378 1.00 96.01 146 A 1 ATOM 1202 C C . MET A 1 146 ? 5.091 10.697 -3.492 1.00 95.22 146 A 1 ATOM 1203 O O . MET A 1 146 ? 5.348 11.249 -4.565 1.00 94.02 146 A 1 ATOM 1204 C CB . MET A 1 146 ? 6.399 8.635 -2.734 1.00 96.00 146 A 1 ATOM 1205 C CG . MET A 1 146 ? 6.217 7.211 -2.173 1.00 94.78 146 A 1 ATOM 1206 S SD . MET A 1 146 ? 4.999 7.039 -0.829 1.00 94.85 146 A 1 ATOM 1207 C CE . MET A 1 146 ? 5.913 7.827 0.520 1.00 91.19 146 A 1 ATOM 1208 N N . PRO A 1 147 ? 4.763 11.413 -2.410 1.00 95.06 147 A 1 ATOM 1209 C CA . PRO A 1 147 ? 4.826 12.868 -2.416 1.00 93.37 147 A 1 ATOM 1210 C C . PRO A 1 147 ? 6.230 13.349 -2.783 1.00 91.63 147 A 1 ATOM 1211 O O . PRO A 1 147 ? 7.221 12.886 -2.219 1.00 86.80 147 A 1 ATOM 1212 C CB . PRO A 1 147 ? 4.434 13.317 -1.005 1.00 91.43 147 A 1 ATOM 1213 C CG . PRO A 1 147 ? 3.662 12.128 -0.450 1.00 90.89 147 A 1 ATOM 1214 C CD . PRO A 1 147 ? 4.317 10.931 -1.117 1.00 94.12 147 A 1 ATOM 1215 N N . ARG A 1 148 ? 6.311 14.301 -3.705 1.00 88.29 148 A 1 ATOM 1216 C CA . ARG A 1 148 ? 7.580 14.985 -3.957 1.00 84.95 148 A 1 ATOM 1217 C C . ARG A 1 148 ? 7.987 15.694 -2.675 1.00 81.49 148 A 1 ATOM 1218 O O . ARG A 1 148 ? 7.263 16.561 -2.190 1.00 71.42 148 A 1 ATOM 1219 C CB . ARG A 1 148 ? 7.478 15.975 -5.124 1.00 78.92 148 A 1 ATOM 1220 C CG . ARG A 1 148 ? 7.302 15.249 -6.465 1.00 67.30 148 A 1 ATOM 1221 C CD . ARG A 1 148 ? 7.322 16.248 -7.621 1.00 62.88 148 A 1 ATOM 1222 N NE . ARG A 1 148 ? 7.132 15.573 -8.914 1.00 54.56 148 A 1 ATOM 1223 C CZ . ARG A 1 148 ? 7.146 16.145 -10.108 1.00 48.03 148 A 1 ATOM 1224 N NH1 . ARG A 1 148 ? 7.340 17.428 -10.255 1.00 44.98 148 A 1 ATOM 1225 N NH2 . ARG A 1 148 ? 6.961 15.428 -11.179 1.00 41.68 148 A 1 ATOM 1226 N N . LYS A 1 149 ? 9.147 15.341 -2.160 1.00 76.43 149 A 1 ATOM 1227 C CA . LYS A 1 149 ? 9.761 16.162 -1.129 1.00 72.85 149 A 1 ATOM 1228 C C . LYS A 1 149 ? 10.111 17.494 -1.761 1.00 69.86 149 A 1 ATOM 1229 O O . LYS A 1 149 ? 10.847 17.550 -2.743 1.00 61.59 149 A 1 ATOM 1230 C CB . LYS A 1 149 ? 10.970 15.475 -0.510 1.00 66.36 149 A 1 ATOM 1231 C CG . LYS A 1 149 ? 10.466 14.270 0.285 1.00 60.86 149 A 1 ATOM 1232 C CD . LYS A 1 149 ? 11.385 13.929 1.434 1.00 57.10 149 A 1 ATOM 1233 C CE . LYS A 1 149 ? 10.508 13.157 2.412 1.00 52.04 149 A 1 ATOM 1234 N NZ . LYS A 1 149 ? 10.633 13.707 3.761 1.00 48.01 149 A 1 ATOM 1235 N N . HIS A 1 150 ? 9.578 18.559 -1.177 1.00 58.57 150 A 1 ATOM 1236 C CA . HIS A 1 150 ? 10.231 19.835 -1.324 1.00 55.50 150 A 1 ATOM 1237 C C . HIS A 1 150 ? 11.597 19.673 -0.653 1.00 53.96 150 A 1 ATOM 1238 O O . HIS A 1 150 ? 11.715 19.753 0.564 1.00 48.99 150 A 1 ATOM 1239 C CB . HIS A 1 150 ? 9.376 20.952 -0.715 1.00 50.18 150 A 1 ATOM 1240 C CG . HIS A 1 150 ? 8.133 21.210 -1.526 1.00 46.42 150 A 1 ATOM 1241 N ND1 . HIS A 1 150 ? 8.077 21.870 -2.737 1.00 42.60 150 A 1 ATOM 1242 C CD2 . HIS A 1 150 ? 6.851 20.805 -1.238 1.00 41.46 150 A 1 ATOM 1243 C CE1 . HIS A 1 150 ? 6.802 21.870 -3.162 1.00 39.77 150 A 1 ATOM 1244 N NE2 . HIS A 1 150 ? 6.024 21.225 -2.279 1.00 39.81 150 A 1 ATOM 1245 N N . HIS A 1 151 ? 12.617 19.376 -1.465 1.00 49.63 151 A 1 ATOM 1246 C CA . HIS A 1 151 ? 13.953 19.719 -1.051 1.00 49.03 151 A 1 ATOM 1247 C C . HIS A 1 151 ? 13.911 21.233 -0.840 1.00 47.84 151 A 1 ATOM 1248 O O . HIS A 1 151 ? 13.962 22.005 -1.797 1.00 44.72 151 A 1 ATOM 1249 C CB . HIS A 1 151 ? 14.991 19.290 -2.100 1.00 45.98 151 A 1 ATOM 1250 C CG . HIS A 1 151 ? 15.213 17.804 -2.132 1.00 43.07 151 A 1 ATOM 1251 N ND1 . HIS A 1 151 ? 15.890 17.061 -1.187 1.00 40.23 151 A 1 ATOM 1252 C CD2 . HIS A 1 151 ? 14.787 16.921 -3.095 1.00 39.06 151 A 1 ATOM 1253 C CE1 . HIS A 1 151 ? 15.875 15.773 -1.575 1.00 38.12 151 A 1 ATOM 1254 N NE2 . HIS A 1 151 ? 15.212 15.649 -2.730 1.00 37.82 151 A 1 ATOM 1255 N N . HIS A 1 152 ? 13.767 21.649 0.421 1.00 44.53 152 A 1 ATOM 1256 C CA . HIS A 1 152 ? 14.305 22.926 0.812 1.00 45.21 152 A 1 ATOM 1257 C C . HIS A 1 152 ? 15.814 22.801 0.593 1.00 44.21 152 A 1 ATOM 1258 O O . HIS A 1 152 ? 16.558 22.401 1.485 1.00 41.31 152 A 1 ATOM 1259 C CB . HIS A 1 152 ? 13.924 23.269 2.259 1.00 42.94 152 A 1 ATOM 1260 C CG . HIS A 1 152 ? 12.486 23.690 2.404 1.00 39.74 152 A 1 ATOM 1261 N ND1 . HIS A 1 152 ? 11.949 24.889 1.986 1.00 36.79 152 A 1 ATOM 1262 C CD2 . HIS A 1 152 ? 11.456 22.974 2.970 1.00 36.05 152 A 1 ATOM 1263 C CE1 . HIS A 1 152 ? 10.639 24.898 2.292 1.00 35.07 152 A 1 ATOM 1264 N NE2 . HIS A 1 152 ? 10.303 23.748 2.890 1.00 35.16 152 A 1 ATOM 1265 N N . HIS A 1 153 ? 16.234 23.072 -0.648 1.00 41.22 153 A 1 ATOM 1266 C CA . HIS A 1 153 ? 17.575 23.557 -0.844 1.00 42.46 153 A 1 ATOM 1267 C C . HIS A 1 153 ? 17.631 24.856 -0.037 1.00 41.20 153 A 1 ATOM 1268 O O . HIS A 1 153 ? 17.148 25.897 -0.482 1.00 38.33 153 A 1 ATOM 1269 C CB . HIS A 1 153 ? 17.869 23.759 -2.337 1.00 40.79 153 A 1 ATOM 1270 C CG . HIS A 1 153 ? 18.072 22.463 -3.075 1.00 37.55 153 A 1 ATOM 1271 N ND1 . HIS A 1 153 ? 19.195 21.661 -3.006 1.00 34.50 153 A 1 ATOM 1272 C CD2 . HIS A 1 153 ? 17.201 21.844 -3.940 1.00 34.08 153 A 1 ATOM 1273 C CE1 . HIS A 1 153 ? 19.005 20.600 -3.808 1.00 33.30 153 A 1 ATOM 1274 N NE2 . HIS A 1 153 ? 17.801 20.674 -4.393 1.00 33.57 153 A 1 ATOM 1275 N N . HIS A 1 154 ? 18.160 24.749 1.183 1.00 38.40 154 A 1 ATOM 1276 C CA . HIS A 1 154 ? 18.813 25.894 1.774 1.00 40.66 154 A 1 ATOM 1277 C C . HIS A 1 154 ? 20.007 26.196 0.862 1.00 39.54 154 A 1 ATOM 1278 O O . HIS A 1 154 ? 21.079 25.616 1.020 1.00 36.52 154 A 1 ATOM 1279 C CB . HIS A 1 154 ? 19.223 25.595 3.224 1.00 38.92 154 A 1 ATOM 1280 C CG . HIS A 1 154 ? 18.059 25.577 4.178 1.00 35.81 154 A 1 ATOM 1281 N ND1 . HIS A 1 154 ? 17.379 26.688 4.632 1.00 32.78 154 A 1 ATOM 1282 C CD2 . HIS A 1 154 ? 17.470 24.486 4.772 1.00 32.61 154 A 1 ATOM 1283 C CE1 . HIS A 1 154 ? 16.415 26.282 5.476 1.00 32.13 154 A 1 ATOM 1284 N NE2 . HIS A 1 154 ? 16.438 24.945 5.586 1.00 32.89 154 A 1 ATOM 1285 N N . HIS A 1 155 ? 19.741 26.989 -0.150 1.00 33.53 155 A 1 ATOM 1286 C CA . HIS A 1 155 ? 20.760 27.866 -0.700 1.00 37.61 155 A 1 ATOM 1287 C C . HIS A 1 155 ? 20.975 29.028 0.276 1.00 35.38 155 A 1 ATOM 1288 O O . HIS A 1 155 ? 19.977 29.498 0.858 1.00 30.70 155 A 1 ATOM 1289 C CB . HIS A 1 155 ? 20.359 28.340 -2.101 1.00 34.00 155 A 1 ATOM 1290 C CG . HIS A 1 155 ? 20.586 27.284 -3.163 1.00 32.21 155 A 1 ATOM 1291 N ND1 . HIS A 1 155 ? 21.821 26.805 -3.540 1.00 27.55 155 A 1 ATOM 1292 C CD2 . HIS A 1 155 ? 19.661 26.634 -3.935 1.00 26.03 155 A 1 ATOM 1293 C CE1 . HIS A 1 155 ? 21.638 25.886 -4.505 1.00 26.46 155 A 1 ATOM 1294 N NE2 . HIS A 1 155 ? 20.335 25.758 -4.773 1.00 29.07 155 A 1 ATOM 1295 O OXT . HIS A 1 155 ? 22.157 29.448 0.411 1.00 27.17 155 A 1 #