# 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_oad1 # _entry.id oad1 # 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 CYS 2 1 n THR 3 1 n HIS 4 1 n ILE 5 1 n ILE 6 1 n THR 7 1 n ILE 8 1 n SER 9 1 n GLY 10 1 n GLU 11 1 n LYS 12 1 n LEU 13 1 n ASP 14 1 n GLU 15 1 n LEU 16 1 n GLY 17 1 n LYS 18 1 n LEU 19 1 n ILE 20 1 n ASP 21 1 n HIS 22 1 n LYS 23 1 n HIS 24 1 n ASN 25 1 n ILE 26 1 n ASN 27 1 n PHE 28 1 n SER 29 1 n THR 30 1 n LYS 31 1 n PHE 32 1 n SER 33 1 n ILE 34 1 n TYR 35 1 n GLU 36 1 n LYS 37 1 n VAL 38 1 n PRO 39 1 n SER 40 1 n THR 41 1 n GLY 42 1 n ALA 43 1 n ASP 44 1 n ILE 45 1 n SER 46 1 n GLU 47 1 n SER 48 1 n ASN 49 1 n ASP 50 1 n SER 51 1 n LYS 52 1 n ASP 53 1 n LYS 54 1 n ILE 55 1 n ARG 56 1 n GLN 57 1 n GLN 58 1 n ALA 59 1 n LYS 60 1 n ASP 61 1 n ILE 62 1 n LEU 63 1 n ASP 64 1 n LYS 65 1 n ILE 66 1 n GLN 67 1 n SER 68 1 n HIS 69 1 n GLN 70 1 n GLU 71 1 n GLU 72 1 n GLU 73 1 n GLU 74 1 n SER 75 1 n THR 76 1 n PRO 77 1 n GLU 78 1 n TRP 79 1 n MET 80 1 n GLU 81 1 n GLY 82 1 n PHE 83 1 n GLU 84 1 n ASP 85 1 n LEU 86 1 n ILE 87 1 n ARG 88 1 n SER 89 1 n ASP 90 1 n TYR 91 1 n VAL 92 1 n LEU 93 1 n ARG 94 1 n LYS 95 1 n GLY 96 1 n ASP 97 1 n TYR 98 1 n LEU 99 1 n LEU 100 1 n LEU 101 1 n GLU 102 1 n ASP 103 1 n LEU 104 1 n SER 105 1 n LEU 106 1 n GLU 107 1 n GLN 108 1 n LYS 109 1 n VAL 110 1 n PHE 111 1 n LEU 112 1 n GLN 113 1 n ASN 114 1 n SER 115 1 n LEU 116 1 n LYS 117 1 n THR 118 1 n THR 119 1 n THR 120 1 n GLU 121 1 n PHE 122 1 n THR 123 1 n PHE 124 1 n LEU 125 1 n GLU 126 1 n GLU 127 1 n ASP 128 1 n TYR 129 1 n ASN 130 1 n TYR 131 1 n ALA 132 1 n TYR 133 1 n PHE 134 1 n ASN 135 1 n SER 136 1 n LYS 137 1 n GLY 138 1 n SER 139 1 n PHE 140 1 n VAL 141 1 n GLY 142 1 n LEU 143 1 n ASN 144 1 n TYR 145 1 n GLY 146 1 n ASP 147 1 n PRO 148 1 n PHE 149 1 n VAL 150 1 n VAL 151 1 n LYS 152 1 n LYS 153 1 n ILE 154 1 n THR 155 1 n PHE 156 1 n ASN 157 1 n ASP 158 1 n LEU 159 1 n PHE 160 1 n ILE 161 1 n PRO 162 1 n LYS 163 1 n GLN 164 # _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 @ 2025-04-07 01:07:07)" _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 56.69 _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 29.87 1 1 A CYS 2 2 32.97 1 2 A THR 3 2 33.88 1 3 A HIS 4 2 30.01 1 4 A ILE 5 2 33.24 1 5 A ILE 6 2 36.87 1 6 A THR 7 2 38.65 1 7 A ILE 8 2 40.72 1 8 A SER 9 2 41.27 1 9 A GLY 10 2 45.97 1 10 A GLU 11 2 45.02 1 11 A LYS 12 2 44.88 1 12 A LEU 13 2 44.13 1 13 A ASP 14 2 48.59 1 14 A GLU 15 2 47.57 1 15 A LEU 16 2 46.96 1 16 A GLY 17 2 50.07 1 17 A LYS 18 2 48.67 1 18 A LEU 19 2 46.07 1 19 A ILE 20 2 42.71 1 20 A ASP 21 2 41.17 1 21 A HIS 22 2 38.17 1 22 A LYS 23 2 35.69 1 23 A HIS 24 2 36.29 1 24 A ASN 25 2 33.84 1 25 A ILE 26 2 32.56 1 26 A ASN 27 2 32.83 1 27 A PHE 28 2 30.93 1 28 A SER 29 2 32.60 1 29 A THR 30 2 29.40 1 30 A LYS 31 2 27.91 1 31 A PHE 32 2 33.93 1 32 A SER 33 2 36.11 1 33 A ILE 34 2 34.00 1 34 A TYR 35 2 28.95 1 35 A GLU 36 2 33.73 1 36 A LYS 37 2 30.80 1 37 A VAL 38 2 37.28 1 38 A PRO 39 2 38.45 1 39 A SER 40 2 38.47 1 40 A THR 41 2 41.48 1 41 A GLY 42 2 43.34 1 42 A ALA 43 2 44.15 1 43 A ASP 44 2 38.52 1 44 A ILE 45 2 39.71 1 45 A SER 46 2 45.08 1 46 A GLU 47 2 43.25 1 47 A SER 48 2 51.55 1 48 A ASN 49 2 55.77 1 49 A ASP 50 2 58.66 1 50 A SER 51 2 55.02 1 51 A LYS 52 2 49.07 1 52 A ASP 53 2 61.06 1 53 A LYS 54 2 56.73 1 54 A ILE 55 2 50.49 1 55 A ARG 56 2 50.60 1 56 A GLN 57 2 63.17 1 57 A GLN 58 2 53.89 1 58 A ALA 59 2 57.34 1 59 A LYS 60 2 57.45 1 60 A ASP 61 2 59.15 1 61 A ILE 62 2 51.57 1 62 A LEU 63 2 52.67 1 63 A ASP 64 2 61.26 1 64 A LYS 65 2 51.48 1 65 A ILE 66 2 50.84 1 66 A GLN 67 2 50.82 1 67 A SER 68 2 55.02 1 68 A HIS 69 2 46.41 1 69 A GLN 70 2 47.67 1 70 A GLU 71 2 45.78 1 71 A GLU 72 2 44.88 1 72 A GLU 73 2 42.42 1 73 A GLU 74 2 40.36 1 74 A SER 75 2 49.67 1 75 A THR 76 2 54.38 1 76 A PRO 77 2 58.10 1 77 A GLU 78 2 53.74 1 78 A TRP 79 2 51.33 1 79 A MET 80 2 59.07 1 80 A GLU 81 2 59.46 1 81 A GLY 82 2 72.24 1 82 A PHE 83 2 72.55 1 83 A GLU 84 2 64.18 1 84 A ASP 85 2 69.05 1 85 A LEU 86 2 75.65 1 86 A ILE 87 2 73.34 1 87 A ARG 88 2 66.94 1 88 A SER 89 2 78.72 1 89 A ASP 90 2 74.85 1 90 A TYR 91 2 72.01 1 91 A VAL 92 2 71.02 1 92 A LEU 93 2 69.63 1 93 A ARG 94 2 65.29 1 94 A LYS 95 2 66.67 1 95 A GLY 96 2 72.58 1 96 A ASP 97 2 74.46 1 97 A TYR 98 2 72.37 1 98 A LEU 99 2 77.29 1 99 A LEU 100 2 75.27 1 100 A LEU 101 2 75.19 1 101 A GLU 102 2 73.32 1 102 A ASP 103 2 79.27 1 103 A LEU 104 2 78.73 1 104 A SER 105 2 77.80 1 105 A LEU 106 2 67.23 1 106 A GLU 107 2 64.10 1 107 A GLN 108 2 79.52 1 108 A LYS 109 2 73.52 1 109 A VAL 110 2 68.58 1 110 A PHE 111 2 73.00 1 111 A LEU 112 2 76.51 1 112 A GLN 113 2 67.26 1 113 A ASN 114 2 66.38 1 114 A SER 115 2 72.22 1 115 A LEU 116 2 67.52 1 116 A LYS 117 2 51.21 1 117 A THR 118 2 51.34 1 118 A THR 119 2 45.56 1 119 A THR 120 2 48.53 1 120 A GLU 121 2 45.19 1 121 A PHE 122 2 51.15 1 122 A THR 123 2 60.04 1 123 A PHE 124 2 63.61 1 124 A LEU 125 2 61.43 1 125 A GLU 126 2 56.64 1 126 A GLU 127 2 52.64 1 127 A ASP 128 2 61.70 1 128 A TYR 129 2 65.94 1 129 A ASN 130 2 71.39 1 130 A TYR 131 2 67.50 1 131 A ALA 132 2 77.36 1 132 A TYR 133 2 62.69 1 133 A PHE 134 2 69.99 1 134 A ASN 135 2 66.71 1 135 A SER 136 2 63.94 1 136 A LYS 137 2 64.67 1 137 A GLY 138 2 64.30 1 138 A SER 139 2 66.92 1 139 A PHE 140 2 65.71 1 140 A VAL 141 2 67.63 1 141 A GLY 142 2 73.35 1 142 A LEU 143 2 69.54 1 143 A ASN 144 2 68.14 1 144 A TYR 145 2 59.55 1 145 A GLY 146 2 68.14 1 146 A ASP 147 2 63.48 1 147 A PRO 148 2 62.98 1 148 A PHE 149 2 48.75 1 149 A VAL 150 2 53.61 1 150 A VAL 151 2 62.08 1 151 A LYS 152 2 70.43 1 152 A LYS 153 2 77.05 1 153 A ILE 154 2 78.52 1 154 A THR 155 2 80.39 1 155 A PHE 156 2 77.64 1 156 A ASN 157 2 78.45 1 157 A ASP 158 2 80.40 1 158 A LEU 159 2 78.77 1 159 A PHE 160 2 75.87 1 160 A ILE 161 2 80.17 1 161 A PRO 162 2 81.04 1 162 A LYS 163 2 72.21 1 163 A GLN 164 2 72.99 1 164 # _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 CYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n HIS . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n GLU . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n LYS . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n ASP . 21 A 21 A 22 1 n HIS . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n HIS . 24 A 24 A 25 1 n ASN . 25 A 25 A 26 1 n ILE . 26 A 26 A 27 1 n ASN . 27 A 27 A 28 1 n PHE . 28 A 28 A 29 1 n SER . 29 A 29 A 30 1 n THR . 30 A 30 A 31 1 n LYS . 31 A 31 A 32 1 n PHE . 32 A 32 A 33 1 n SER . 33 A 33 A 34 1 n ILE . 34 A 34 A 35 1 n TYR . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n VAL . 38 A 38 A 39 1 n PRO . 39 A 39 A 40 1 n SER . 40 A 40 A 41 1 n THR . 41 A 41 A 42 1 n GLY . 42 A 42 A 43 1 n ALA . 43 A 43 A 44 1 n ASP . 44 A 44 A 45 1 n ILE . 45 A 45 A 46 1 n SER . 46 A 46 A 47 1 n GLU . 47 A 47 A 48 1 n SER . 48 A 48 A 49 1 n ASN . 49 A 49 A 50 1 n ASP . 50 A 50 A 51 1 n SER . 51 A 51 A 52 1 n LYS . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n LYS . 54 A 54 A 55 1 n ILE . 55 A 55 A 56 1 n ARG . 56 A 56 A 57 1 n GLN . 57 A 57 A 58 1 n GLN . 58 A 58 A 59 1 n ALA . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n ASP . 61 A 61 A 62 1 n ILE . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n ASP . 64 A 64 A 65 1 n LYS . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n GLN . 67 A 67 A 68 1 n SER . 68 A 68 A 69 1 n HIS . 69 A 69 A 70 1 n GLN . 70 A 70 A 71 1 n GLU . 71 A 71 A 72 1 n GLU . 72 A 72 A 73 1 n GLU . 73 A 73 A 74 1 n GLU . 74 A 74 A 75 1 n SER . 75 A 75 A 76 1 n THR . 76 A 76 A 77 1 n PRO . 77 A 77 A 78 1 n GLU . 78 A 78 A 79 1 n TRP . 79 A 79 A 80 1 n MET . 80 A 80 A 81 1 n GLU . 81 A 81 A 82 1 n GLY . 82 A 82 A 83 1 n PHE . 83 A 83 A 84 1 n GLU . 84 A 84 A 85 1 n ASP . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n ILE . 87 A 87 A 88 1 n ARG . 88 A 88 A 89 1 n SER . 89 A 89 A 90 1 n ASP . 90 A 90 A 91 1 n TYR . 91 A 91 A 92 1 n VAL . 92 A 92 A 93 1 n LEU . 93 A 93 A 94 1 n ARG . 94 A 94 A 95 1 n LYS . 95 A 95 A 96 1 n GLY . 96 A 96 A 97 1 n ASP . 97 A 97 A 98 1 n TYR . 98 A 98 A 99 1 n LEU . 99 A 99 A 100 1 n LEU . 100 A 100 A 101 1 n LEU . 101 A 101 A 102 1 n GLU . 102 A 102 A 103 1 n ASP . 103 A 103 A 104 1 n LEU . 104 A 104 A 105 1 n SER . 105 A 105 A 106 1 n LEU . 106 A 106 A 107 1 n GLU . 107 A 107 A 108 1 n GLN . 108 A 108 A 109 1 n LYS . 109 A 109 A 110 1 n VAL . 110 A 110 A 111 1 n PHE . 111 A 111 A 112 1 n LEU . 112 A 112 A 113 1 n GLN . 113 A 113 A 114 1 n ASN . 114 A 114 A 115 1 n SER . 115 A 115 A 116 1 n LEU . 116 A 116 A 117 1 n LYS . 117 A 117 A 118 1 n THR . 118 A 118 A 119 1 n THR . 119 A 119 A 120 1 n THR . 120 A 120 A 121 1 n GLU . 121 A 121 A 122 1 n PHE . 122 A 122 A 123 1 n THR . 123 A 123 A 124 1 n PHE . 124 A 124 A 125 1 n LEU . 125 A 125 A 126 1 n GLU . 126 A 126 A 127 1 n GLU . 127 A 127 A 128 1 n ASP . 128 A 128 A 129 1 n TYR . 129 A 129 A 130 1 n ASN . 130 A 130 A 131 1 n TYR . 131 A 131 A 132 1 n ALA . 132 A 132 A 133 1 n TYR . 133 A 133 A 134 1 n PHE . 134 A 134 A 135 1 n ASN . 135 A 135 A 136 1 n SER . 136 A 136 A 137 1 n LYS . 137 A 137 A 138 1 n GLY . 138 A 138 A 139 1 n SER . 139 A 139 A 140 1 n PHE . 140 A 140 A 141 1 n VAL . 141 A 141 A 142 1 n GLY . 142 A 142 A 143 1 n LEU . 143 A 143 A 144 1 n ASN . 144 A 144 A 145 1 n TYR . 145 A 145 A 146 1 n GLY . 146 A 146 A 147 1 n ASP . 147 A 147 A 148 1 n PRO . 148 A 148 A 149 1 n PHE . 149 A 149 A 150 1 n VAL . 150 A 150 A 151 1 n VAL . 151 A 151 A 152 1 n LYS . 152 A 152 A 153 1 n LYS . 153 A 153 A 154 1 n ILE . 154 A 154 A 155 1 n THR . 155 A 155 A 156 1 n PHE . 156 A 156 A 157 1 n ASN . 157 A 157 A 158 1 n ASP . 158 A 158 A 159 1 n LEU . 159 A 159 A 160 1 n PHE . 160 A 160 A 161 1 n ILE . 161 A 161 A 162 1 n PRO . 162 A 162 A 163 1 n LYS . 163 A 163 A 164 1 n GLN . 164 A 164 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _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 ? 3.074 28.060 15.886 1.00 26.67 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.019 26.886 14.995 1.00 32.39 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.113 27.402 13.574 1.00 33.01 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.176 28.053 13.142 1.00 32.57 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.709 26.092 15.161 1.00 33.41 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.707 25.185 16.387 1.00 29.24 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.117 24.341 16.608 1.00 27.35 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.450 23.379 18.109 1.00 24.30 1 A 1 ATOM 9 N N . CYS A 1 2 ? 4.232 27.193 12.899 1.00 31.12 2 A 1 ATOM 10 C CA . CYS A 1 2 ? 4.350 27.481 11.468 1.00 34.70 2 A 1 ATOM 11 C C . CYS A 1 2 ? 4.379 26.139 10.736 1.00 34.94 2 A 1 ATOM 12 O O . CYS A 1 2 ? 5.315 25.362 10.908 1.00 34.00 2 A 1 ATOM 13 C CB . CYS A 1 2 ? 5.603 28.321 11.171 1.00 34.31 2 A 1 ATOM 14 S SG . CYS A 1 2 ? 5.295 30.036 11.683 1.00 28.77 2 A 1 ATOM 15 N N . THR A 1 3 ? 3.324 25.858 9.988 1.00 33.16 3 A 1 ATOM 16 C CA . THR A 1 3 ? 3.242 24.696 9.103 1.00 35.18 3 A 1 ATOM 17 C C . THR A 1 3 ? 3.671 25.157 7.715 1.00 35.53 3 A 1 ATOM 18 O O . THR A 1 3 ? 3.000 26.000 7.124 1.00 34.88 3 A 1 ATOM 19 C CB . THR A 1 3 ? 1.812 24.131 9.067 1.00 34.96 3 A 1 ATOM 20 O OG1 . THR A 1 3 ? 1.316 23.979 10.381 1.00 31.29 3 A 1 ATOM 21 C CG2 . THR A 1 3 ? 1.749 22.762 8.402 1.00 32.14 3 A 1 ATOM 22 N N . HIS A 1 4 ? 4.794 24.647 7.209 1.00 31.87 4 A 1 ATOM 23 C CA . HIS A 1 4 ? 5.197 24.904 5.830 1.00 33.79 4 A 1 ATOM 24 C C . HIS A 1 4 ? 4.621 23.809 4.934 1.00 34.14 4 A 1 ATOM 25 O O . HIS A 1 4 ? 4.976 22.640 5.060 1.00 32.96 4 A 1 ATOM 26 C CB . HIS A 1 4 ? 6.723 25.025 5.721 1.00 32.97 4 A 1 ATOM 27 C CG . HIS A 1 4 ? 7.249 26.284 6.376 1.00 29.62 4 A 1 ATOM 28 N ND1 . HIS A 1 4 ? 6.998 27.574 5.970 1.00 26.77 4 A 1 ATOM 29 C CD2 . HIS A 1 4 ? 8.046 26.359 7.486 1.00 26.23 4 A 1 ATOM 30 C CE1 . HIS A 1 4 ? 7.630 28.407 6.811 1.00 25.64 4 A 1 ATOM 31 N NE2 . HIS A 1 4 ? 8.280 27.713 7.757 1.00 26.06 4 A 1 ATOM 32 N N . ILE A 1 5 ? 3.693 24.199 4.055 1.00 33.12 5 A 1 ATOM 33 C CA . ILE A 1 5 ? 3.080 23.313 3.061 1.00 34.81 5 A 1 ATOM 34 C C . ILE A 1 5 ? 3.850 23.502 1.752 1.00 35.08 5 A 1 ATOM 35 O O . ILE A 1 5 ? 3.813 24.584 1.165 1.00 34.33 5 A 1 ATOM 36 C CB . ILE A 1 5 ? 1.570 23.617 2.907 1.00 34.80 5 A 1 ATOM 37 C CG1 . ILE A 1 5 ? 0.829 23.461 4.259 1.00 31.49 5 A 1 ATOM 38 C CG2 . ILE A 1 5 ? 0.945 22.697 1.839 1.00 32.29 5 A 1 ATOM 39 C CD1 . ILE A 1 5 ? -0.648 23.878 4.229 1.00 30.02 5 A 1 ATOM 40 N N . ILE A 1 6 ? 4.553 22.470 1.292 1.00 37.60 6 A 1 ATOM 41 C CA . ILE A 1 6 ? 5.143 22.446 -0.050 1.00 39.44 6 A 1 ATOM 42 C C . ILE A 1 6 ? 4.123 21.790 -0.978 1.00 39.82 6 A 1 ATOM 43 O O . ILE A 1 6 ? 3.887 20.585 -0.906 1.00 38.50 6 A 1 ATOM 44 C CB . ILE A 1 6 ? 6.522 21.743 -0.067 1.00 38.61 6 A 1 ATOM 45 C CG1 . ILE A 1 6 ? 7.504 22.462 0.894 1.00 34.77 6 A 1 ATOM 46 C CG2 . ILE A 1 6 ? 7.081 21.724 -1.503 1.00 34.15 6 A 1 ATOM 47 C CD1 . ILE A 1 6 ? 8.885 21.800 1.008 1.00 32.07 6 A 1 ATOM 48 N N . THR A 1 7 ? 3.492 22.598 -1.833 1.00 38.61 7 A 1 ATOM 49 C CA . THR A 1 7 ? 2.543 22.113 -2.842 1.00 40.74 7 A 1 ATOM 50 C C . THR A 1 7 ? 3.296 21.869 -4.147 1.00 41.56 7 A 1 ATOM 51 O O . THR A 1 7 ? 3.771 22.817 -4.770 1.00 40.68 7 A 1 ATOM 52 C CB . THR A 1 7 ? 1.388 23.110 -3.052 1.00 39.28 7 A 1 ATOM 53 O OG1 . THR A 1 7 ? 0.872 23.548 -1.813 1.00 34.92 7 A 1 ATOM 54 C CG2 . THR A 1 7 ? 0.224 22.485 -3.820 1.00 34.78 7 A 1 ATOM 55 N N . ILE A 1 8 ? 3.409 20.611 -4.574 1.00 40.63 8 A 1 ATOM 56 C CA . ILE A 1 8 ? 3.901 20.261 -5.916 1.00 42.73 8 A 1 ATOM 57 C C . ILE A 1 8 ? 2.760 20.538 -6.911 1.00 42.66 8 A 1 ATOM 58 O O . ILE A 1 8 ? 1.615 20.160 -6.665 1.00 41.66 8 A 1 ATOM 59 C CB . ILE A 1 8 ? 4.418 18.802 -5.959 1.00 41.93 8 A 1 ATOM 60 C CG1 . ILE A 1 8 ? 5.522 18.579 -4.893 1.00 39.33 8 A 1 ATOM 61 C CG2 . ILE A 1 8 ? 4.946 18.462 -7.366 1.00 39.13 8 A 1 ATOM 62 C CD1 . ILE A 1 8 ? 6.035 17.136 -4.791 1.00 37.69 8 A 1 ATOM 63 N N . SER A 1 9 ? 3.043 21.258 -8.001 1.00 41.21 9 A 1 ATOM 64 C CA . SER A 1 9 ? 2.031 21.612 -9.004 1.00 43.10 9 A 1 ATOM 65 C C . SER A 1 9 ? 1.472 20.368 -9.701 1.00 44.62 9 A 1 ATOM 66 O O . SER A 1 9 ? 2.220 19.447 -10.030 1.00 43.16 9 A 1 ATOM 67 C CB . SER A 1 9 ? 2.580 22.615 -10.027 1.00 40.28 9 A 1 ATOM 68 O OG . SER A 1 9 ? 3.704 22.091 -10.700 1.00 35.28 9 A 1 ATOM 69 N N . GLY A 1 10 ? 0.155 20.357 -9.933 1.00 44.77 10 A 1 ATOM 70 C CA . GLY A 1 10 ? -0.617 19.187 -10.361 1.00 45.70 10 A 1 ATOM 71 C C . GLY A 1 10 ? -0.131 18.502 -11.642 1.00 47.59 10 A 1 ATOM 72 O O . GLY A 1 10 ? -0.294 17.295 -11.746 1.00 45.81 10 A 1 ATOM 73 N N . GLU A 1 11 ? 0.520 19.220 -12.568 1.00 45.97 11 A 1 ATOM 74 C CA . GLU A 1 11 ? 1.006 18.633 -13.833 1.00 49.33 11 A 1 ATOM 75 C C . GLU A 1 11 ? 2.126 17.596 -13.634 1.00 50.33 11 A 1 ATOM 76 O O . GLU A 1 11 ? 2.101 16.538 -14.257 1.00 49.14 11 A 1 ATOM 77 C CB . GLU A 1 11 ? 1.483 19.763 -14.763 1.00 48.56 11 A 1 ATOM 78 C CG . GLU A 1 11 ? 0.307 20.602 -15.300 1.00 43.47 11 A 1 ATOM 79 C CD . GLU A 1 11 ? 0.746 21.802 -16.156 1.00 40.76 11 A 1 ATOM 80 O OE1 . GLU A 1 11 ? -0.104 22.299 -16.926 1.00 38.50 11 A 1 ATOM 81 O OE2 . GLU A 1 11 ? 1.893 22.273 -15.967 1.00 39.16 11 A 1 ATOM 82 N N . LYS A 1 12 ? 3.064 17.829 -12.700 1.00 47.97 12 A 1 ATOM 83 C CA . LYS A 1 12 ? 4.143 16.866 -12.404 1.00 50.68 12 A 1 ATOM 84 C C . LYS A 1 12 ? 3.681 15.685 -11.546 1.00 52.02 12 A 1 ATOM 85 O O . LYS A 1 12 ? 4.268 14.612 -11.613 1.00 50.93 12 A 1 ATOM 86 C CB . LYS A 1 12 ? 5.333 17.576 -11.756 1.00 48.22 12 A 1 ATOM 87 C CG . LYS A 1 12 ? 6.075 18.442 -12.781 1.00 42.14 12 A 1 ATOM 88 C CD . LYS A 1 12 ? 7.397 18.951 -12.198 1.00 40.24 12 A 1 ATOM 89 C CE . LYS A 1 12 ? 8.161 19.698 -13.289 1.00 37.21 12 A 1 ATOM 90 N NZ . LYS A 1 12 ? 9.534 20.039 -12.855 1.00 34.50 12 A 1 ATOM 91 N N . LEU A 1 13 ? 2.634 15.882 -10.740 1.00 45.88 13 A 1 ATOM 92 C CA . LEU A 1 13 ? 1.949 14.807 -10.013 1.00 47.16 13 A 1 ATOM 93 C C . LEU A 1 13 ? 1.163 13.898 -10.963 1.00 48.31 13 A 1 ATOM 94 O O . LEU A 1 13 ? 1.106 12.694 -10.741 1.00 47.48 13 A 1 ATOM 95 C CB . LEU A 1 13 ? 1.029 15.438 -8.946 1.00 45.52 13 A 1 ATOM 96 C CG . LEU A 1 13 ? 1.684 15.468 -7.552 1.00 41.43 13 A 1 ATOM 97 C CD1 . LEU A 1 13 ? 1.137 16.627 -6.722 1.00 38.45 13 A 1 ATOM 98 C CD2 . LEU A 1 13 ? 1.409 14.167 -6.800 1.00 38.82 13 A 1 ATOM 99 N N . ASP A 1 14 ? 0.610 14.461 -12.034 1.00 50.66 14 A 1 ATOM 100 C CA . ASP A 1 14 ? -0.127 13.731 -13.068 1.00 52.25 14 A 1 ATOM 101 C C . ASP A 1 14 ? 0.821 12.880 -13.939 1.00 52.51 14 A 1 ATOM 102 O O . ASP A 1 14 ? 0.491 11.747 -14.289 1.00 51.29 14 A 1 ATOM 103 C CB . ASP A 1 14 ? -0.934 14.745 -13.901 1.00 50.62 14 A 1 ATOM 104 C CG . ASP A 1 14 ? -2.226 14.178 -14.488 1.00 45.38 14 A 1 ATOM 105 O OD1 . ASP A 1 14 ? -3.003 13.576 -13.714 1.00 43.29 14 A 1 ATOM 106 O OD2 . ASP A 1 14 ? -2.457 14.385 -15.706 1.00 42.73 14 A 1 ATOM 107 N N . GLU A 1 15 ? 2.037 13.363 -14.222 1.00 50.89 15 A 1 ATOM 108 C CA . GLU A 1 15 ? 3.096 12.566 -14.874 1.00 52.58 15 A 1 ATOM 109 C C . GLU A 1 15 ? 3.611 11.433 -13.971 1.00 53.13 15 A 1 ATOM 110 O O . GLU A 1 15 ? 3.772 10.309 -14.446 1.00 52.15 15 A 1 ATOM 111 C CB . GLU A 1 15 ? 4.270 13.466 -15.303 1.00 50.93 15 A 1 ATOM 112 C CG . GLU A 1 15 ? 3.973 14.227 -16.604 1.00 45.05 15 A 1 ATOM 113 C CD . GLU A 1 15 ? 5.146 15.108 -17.077 1.00 42.52 15 A 1 ATOM 114 O OE1 . GLU A 1 15 ? 5.150 15.462 -18.278 1.00 40.48 15 A 1 ATOM 115 O OE2 . GLU A 1 15 ? 6.007 15.471 -16.236 1.00 40.40 15 A 1 ATOM 116 N N . LEU A 1 16 ? 3.799 11.692 -12.673 1.00 49.03 16 A 1 ATOM 117 C CA . LEU A 1 16 ? 4.204 10.666 -11.706 1.00 49.65 16 A 1 ATOM 118 C C . LEU A 1 16 ? 3.111 9.594 -11.533 1.00 49.28 16 A 1 ATOM 119 O O . LEU A 1 16 ? 3.411 8.403 -11.519 1.00 48.76 16 A 1 ATOM 120 C CB . LEU A 1 16 ? 4.535 11.336 -10.355 1.00 48.61 16 A 1 ATOM 121 C CG . LEU A 1 16 ? 5.639 10.593 -9.581 1.00 45.16 16 A 1 ATOM 122 C CD1 . LEU A 1 16 ? 7.013 11.171 -9.936 1.00 42.60 16 A 1 ATOM 123 C CD2 . LEU A 1 16 ? 5.441 10.730 -8.075 1.00 42.56 16 A 1 ATOM 124 N N . GLY A 1 17 ? 1.843 10.022 -11.454 1.00 50.97 17 A 1 ATOM 125 C CA . GLY A 1 17 ? 0.680 9.135 -11.397 1.00 50.23 17 A 1 ATOM 126 C C . GLY A 1 17 ? 0.565 8.259 -12.645 1.00 49.98 17 A 1 ATOM 127 O O . GLY A 1 17 ? 0.417 7.047 -12.525 1.00 49.12 17 A 1 ATOM 128 N N . LYS A 1 18 ? 0.747 8.832 -13.845 1.00 50.29 18 A 1 ATOM 129 C CA . LYS A 1 18 ? 0.718 8.095 -15.123 1.00 52.09 18 A 1 ATOM 130 C C . LYS A 1 18 ? 1.869 7.097 -15.273 1.00 50.80 18 A 1 ATOM 131 O O . LYS A 1 18 ? 1.656 6.026 -15.840 1.00 50.24 18 A 1 ATOM 132 C CB . LYS A 1 18 ? 0.730 9.090 -16.290 1.00 51.82 18 A 1 ATOM 133 C CG . LYS A 1 18 ? -0.647 9.745 -16.472 1.00 48.16 18 A 1 ATOM 134 C CD . LYS A 1 18 ? -0.548 10.945 -17.422 1.00 48.04 18 A 1 ATOM 135 C CE . LYS A 1 18 ? -1.909 11.633 -17.462 1.00 45.23 18 A 1 ATOM 136 N NZ . LYS A 1 18 ? -1.808 13.036 -17.927 1.00 41.40 18 A 1 ATOM 137 N N . LEU A 1 19 ? 3.067 7.406 -14.763 1.00 49.66 19 A 1 ATOM 138 C CA . LEU A 1 19 ? 4.214 6.484 -14.770 1.00 49.95 19 A 1 ATOM 139 C C . LEU A 1 19 ? 4.000 5.271 -13.855 1.00 49.52 19 A 1 ATOM 140 O O . LEU A 1 19 ? 4.388 4.159 -14.212 1.00 48.15 19 A 1 ATOM 141 C CB . LEU A 1 19 ? 5.482 7.272 -14.383 1.00 47.60 19 A 1 ATOM 142 C CG . LEU A 1 19 ? 6.222 7.824 -15.616 1.00 43.05 19 A 1 ATOM 143 C CD1 . LEU A 1 19 ? 6.985 9.102 -15.281 1.00 40.09 19 A 1 ATOM 144 C CD2 . LEU A 1 19 ? 7.222 6.790 -16.139 1.00 40.53 19 A 1 ATOM 145 N N . ILE A 1 20 ? 3.333 5.463 -12.713 1.00 44.96 20 A 1 ATOM 146 C CA . ILE A 1 20 ? 3.005 4.393 -11.760 1.00 45.25 20 A 1 ATOM 147 C C . ILE A 1 20 ? 1.801 3.567 -12.258 1.00 44.33 20 A 1 ATOM 148 O O . ILE A 1 20 ? 1.848 2.333 -12.225 1.00 43.06 20 A 1 ATOM 149 C CB . ILE A 1 20 ? 2.804 5.007 -10.353 1.00 43.85 20 A 1 ATOM 150 C CG1 . ILE A 1 20 ? 4.130 5.624 -9.838 1.00 40.80 20 A 1 ATOM 151 C CG2 . ILE A 1 20 ? 2.303 3.945 -9.355 1.00 40.28 20 A 1 ATOM 152 C CD1 . ILE A 1 20 ? 3.972 6.508 -8.593 1.00 39.15 20 A 1 ATOM 153 N N . ASP A 1 21 ? 0.769 4.212 -12.818 1.00 43.14 21 A 1 ATOM 154 C CA . ASP A 1 21 ? -0.405 3.550 -13.420 1.00 44.58 21 A 1 ATOM 155 C C . ASP A 1 21 ? -0.029 2.637 -14.598 1.00 44.24 21 A 1 ATOM 156 O O . ASP A 1 21 ? -0.602 1.557 -14.758 1.00 42.64 21 A 1 ATOM 157 C CB . ASP A 1 21 ? -1.422 4.606 -13.920 1.00 43.09 21 A 1 ATOM 158 C CG . ASP A 1 21 ? -2.496 5.022 -12.904 1.00 38.65 21 A 1 ATOM 159 O OD1 . ASP A 1 21 ? -2.649 4.336 -11.870 1.00 36.46 21 A 1 ATOM 160 O OD2 . ASP A 1 21 ? -3.235 5.989 -13.210 1.00 36.53 21 A 1 ATOM 161 N N . HIS A 1 22 ? 0.947 3.028 -15.431 1.00 42.39 22 A 1 ATOM 162 C CA . HIS A 1 22 ? 1.244 2.312 -16.672 1.00 42.69 22 A 1 ATOM 163 C C . HIS A 1 22 ? 1.982 0.978 -16.460 1.00 42.09 22 A 1 ATOM 164 O O . HIS A 1 22 ? 1.931 0.115 -17.337 1.00 40.44 22 A 1 ATOM 165 C CB . HIS A 1 22 ? 1.989 3.248 -17.640 1.00 40.22 22 A 1 ATOM 166 C CG . HIS A 1 22 ? 1.765 2.877 -19.087 1.00 37.25 22 A 1 ATOM 167 N ND1 . HIS A 1 22 ? 2.000 1.660 -19.673 1.00 34.86 22 A 1 ATOM 168 C CD2 . HIS A 1 22 ? 1.222 3.680 -20.065 1.00 33.72 22 A 1 ATOM 169 C CE1 . HIS A 1 22 ? 1.610 1.710 -20.952 1.00 33.67 22 A 1 ATOM 170 N NE2 . HIS A 1 22 ? 1.128 2.933 -21.240 1.00 34.36 22 A 1 ATOM 171 N N . LYS A 1 23 ? 2.674 0.782 -15.312 1.00 39.90 23 A 1 ATOM 172 C CA . LYS A 1 23 ? 3.461 -0.437 -15.047 1.00 40.36 23 A 1 ATOM 173 C C . LYS A 1 23 ? 2.829 -1.370 -14.003 1.00 40.29 23 A 1 ATOM 174 O O . LYS A 1 23 ? 3.018 -2.575 -14.095 1.00 38.31 23 A 1 ATOM 175 C CB . LYS A 1 23 ? 4.919 -0.052 -14.727 1.00 37.81 23 A 1 ATOM 176 C CG . LYS A 1 23 ? 5.925 -1.018 -15.385 1.00 33.95 23 A 1 ATOM 177 C CD . LYS A 1 23 ? 7.386 -0.593 -15.140 1.00 32.47 23 A 1 ATOM 178 C CE . LYS A 1 23 ? 8.369 -1.532 -15.863 1.00 29.99 23 A 1 ATOM 179 N NZ . LYS A 1 23 ? 9.793 -1.260 -15.517 1.00 28.12 23 A 1 ATOM 180 N N . HIS A 1 24 ? 2.029 -0.846 -13.065 1.00 39.44 24 A 1 ATOM 181 C CA . HIS A 1 24 ? 1.522 -1.631 -11.926 1.00 40.59 24 A 1 ATOM 182 C C . HIS A 1 24 ? 0.004 -1.548 -11.673 1.00 40.81 24 A 1 ATOM 183 O O . HIS A 1 24 ? -0.495 -2.244 -10.794 1.00 39.17 24 A 1 ATOM 184 C CB . HIS A 1 24 ? 2.351 -1.289 -10.684 1.00 38.55 24 A 1 ATOM 185 C CG . HIS A 1 24 ? 3.803 -1.675 -10.846 1.00 35.34 24 A 1 ATOM 186 N ND1 . HIS A 1 24 ? 4.302 -2.960 -10.928 1.00 33.05 24 A 1 ATOM 187 C CD2 . HIS A 1 24 ? 4.862 -0.824 -11.008 1.00 32.53 24 A 1 ATOM 188 C CE1 . HIS A 1 24 ? 5.628 -2.885 -11.131 1.00 31.59 24 A 1 ATOM 189 N NE2 . HIS A 1 24 ? 6.014 -1.598 -11.195 1.00 31.84 24 A 1 ATOM 190 N N . ASN A 1 25 ? -0.751 -0.780 -12.470 1.00 35.91 25 A 1 ATOM 191 C CA . ASN A 1 25 ? -2.213 -0.649 -12.339 1.00 36.93 25 A 1 ATOM 192 C C . ASN A 1 25 ? -2.660 -0.216 -10.917 1.00 37.73 25 A 1 ATOM 193 O O . ASN A 1 25 ? -3.680 -0.674 -10.397 1.00 36.61 25 A 1 ATOM 194 C CB . ASN A 1 25 ? -2.861 -1.948 -12.873 1.00 34.82 25 A 1 ATOM 195 C CG . ASN A 1 25 ? -4.251 -1.774 -13.451 1.00 31.22 25 A 1 ATOM 196 O OD1 . ASN A 1 25 ? -4.681 -0.737 -13.912 1.00 29.13 25 A 1 ATOM 197 N ND2 . ASN A 1 25 ? -5.012 -2.839 -13.514 1.00 28.38 25 A 1 ATOM 198 N N . ILE A 1 26 ? -1.858 0.629 -10.279 1.00 33.79 26 A 1 ATOM 199 C CA . ILE A 1 26 ? -2.093 1.178 -8.934 1.00 34.26 26 A 1 ATOM 200 C C . ILE A 1 26 ? -2.631 2.601 -9.086 1.00 34.38 26 A 1 ATOM 201 O O . ILE A 1 26 ? -1.899 3.530 -9.414 1.00 33.21 26 A 1 ATOM 202 C CB . ILE A 1 26 ? -0.820 1.142 -8.055 1.00 33.14 26 A 1 ATOM 203 C CG1 . ILE A 1 26 ? -0.212 -0.276 -7.964 1.00 30.97 26 A 1 ATOM 204 C CG2 . ILE A 1 26 ? -1.162 1.645 -6.638 1.00 30.94 26 A 1 ATOM 205 C CD1 . ILE A 1 26 ? 1.131 -0.347 -7.226 1.00 29.76 26 A 1 ATOM 206 N N . ASN A 1 27 ? -3.914 2.777 -8.850 1.00 35.00 27 A 1 ATOM 207 C CA . ASN A 1 27 ? -4.599 4.055 -9.029 1.00 35.88 27 A 1 ATOM 208 C C . ASN A 1 27 ? -4.363 4.965 -7.803 1.00 36.39 27 A 1 ATOM 209 O O . ASN A 1 27 ? -5.063 4.852 -6.794 1.00 35.26 27 A 1 ATOM 210 C CB . ASN A 1 27 ? -6.081 3.741 -9.340 1.00 33.91 27 A 1 ATOM 211 C CG . ASN A 1 27 ? -6.737 4.721 -10.290 1.00 30.44 27 A 1 ATOM 212 O OD1 . ASN A 1 27 ? -6.352 5.855 -10.466 1.00 28.21 27 A 1 ATOM 213 N ND2 . ASN A 1 27 ? -7.793 4.307 -10.945 1.00 27.58 27 A 1 ATOM 214 N N . PHE A 1 28 ? -3.366 5.848 -7.855 1.00 33.60 28 A 1 ATOM 215 C CA . PHE A 1 28 ? -3.111 6.842 -6.803 1.00 33.74 28 A 1 ATOM 216 C C . PHE A 1 28 ? -3.854 8.151 -7.088 1.00 33.61 28 A 1 ATOM 217 O O . PHE A 1 28 ? -3.359 9.057 -7.756 1.00 32.62 28 A 1 ATOM 218 C CB . PHE A 1 28 ? -1.608 7.063 -6.584 1.00 32.73 28 A 1 ATOM 219 C CG . PHE A 1 28 ? -0.939 6.001 -5.729 1.00 30.88 28 A 1 ATOM 220 C CD1 . PHE A 1 28 ? -1.111 6.000 -4.329 1.00 29.12 28 A 1 ATOM 221 C CD2 . PHE A 1 28 ? -0.135 5.017 -6.333 1.00 29.72 28 A 1 ATOM 222 C CE1 . PHE A 1 28 ? -0.477 5.022 -3.540 1.00 27.91 28 A 1 ATOM 223 C CE2 . PHE A 1 28 ? 0.494 4.041 -5.543 1.00 28.04 28 A 1 ATOM 224 C CZ . PHE A 1 28 ? 0.325 4.042 -4.148 1.00 28.31 28 A 1 ATOM 225 N N . SER A 1 29 ? -5.029 8.286 -6.505 1.00 33.55 29 A 1 ATOM 226 C CA . SER A 1 29 ? -5.692 9.577 -6.332 1.00 33.97 29 A 1 ATOM 227 C C . SER A 1 29 ? -5.471 10.060 -4.898 1.00 34.26 29 A 1 ATOM 228 O O . SER A 1 29 ? -6.334 9.843 -4.063 1.00 32.95 29 A 1 ATOM 229 C CB . SER A 1 29 ? -7.183 9.430 -6.682 1.00 31.86 29 A 1 ATOM 230 O OG . SER A 1 29 ? -7.965 10.457 -6.094 1.00 29.01 29 A 1 ATOM 231 N N . THR A 1 30 ? -4.348 10.712 -4.584 1.00 30.89 30 A 1 ATOM 232 C CA . THR A 1 30 ? -4.338 11.777 -3.544 1.00 31.29 30 A 1 ATOM 233 C C . THR A 1 30 ? -2.998 12.529 -3.461 1.00 32.36 30 A 1 ATOM 234 O O . THR A 1 30 ? -1.926 12.008 -3.730 1.00 31.05 30 A 1 ATOM 235 C CB . THR A 1 30 ? -4.715 11.325 -2.103 1.00 28.80 30 A 1 ATOM 236 O OG1 . THR A 1 30 ? -5.583 10.228 -2.065 1.00 26.08 30 A 1 ATOM 237 C CG2 . THR A 1 30 ? -5.488 12.434 -1.360 1.00 25.30 30 A 1 ATOM 238 N N . LYS A 1 31 ? -3.094 13.801 -3.067 1.00 30.94 31 A 1 ATOM 239 C CA . LYS A 1 31 ? -2.002 14.754 -2.811 1.00 31.40 31 A 1 ATOM 240 C C . LYS A 1 31 ? -0.984 14.212 -1.797 1.00 32.11 31 A 1 ATOM 241 O O . LYS A 1 31 ? -1.336 14.002 -0.638 1.00 31.03 31 A 1 ATOM 242 C CB . LYS A 1 31 ? -2.620 16.037 -2.224 1.00 29.59 31 A 1 ATOM 243 C CG . LYS A 1 31 ? -3.467 16.848 -3.216 1.00 26.47 31 A 1 ATOM 244 C CD . LYS A 1 31 ? -4.221 17.960 -2.473 1.00 24.98 31 A 1 ATOM 245 C CE . LYS A 1 31 ? -4.996 18.831 -3.462 1.00 22.96 31 A 1 ATOM 246 N NZ . LYS A 1 31 ? -5.857 19.813 -2.762 1.00 21.73 31 A 1 ATOM 247 N N . PHE A 1 32 ? 0.284 14.129 -2.188 1.00 36.14 32 A 1 ATOM 248 C CA . PHE A 1 32 ? 1.379 13.920 -1.241 1.00 37.03 32 A 1 ATOM 249 C C . PHE A 1 32 ? 1.735 15.232 -0.533 1.00 37.33 32 A 1 ATOM 250 O O . PHE A 1 32 ? 2.008 16.250 -1.171 1.00 36.68 32 A 1 ATOM 251 C CB . PHE A 1 32 ? 2.591 13.309 -1.952 1.00 36.13 32 A 1 ATOM 252 C CG . PHE A 1 32 ? 2.403 11.840 -2.282 1.00 34.03 32 A 1 ATOM 253 C CD1 . PHE A 1 32 ? 2.718 10.860 -1.319 1.00 32.32 32 A 1 ATOM 254 C CD2 . PHE A 1 32 ? 1.889 11.450 -3.532 1.00 32.85 32 A 1 ATOM 255 C CE1 . PHE A 1 32 ? 2.524 9.500 -1.607 1.00 30.26 32 A 1 ATOM 256 C CE2 . PHE A 1 32 ? 1.690 10.086 -3.818 1.00 30.40 32 A 1 ATOM 257 C CZ . PHE A 1 32 ? 2.008 9.112 -2.858 1.00 30.09 32 A 1 ATOM 258 N N . SER A 1 33 ? 1.747 15.213 0.796 1.00 36.25 33 A 1 ATOM 259 C CA . SER A 1 33 ? 2.310 16.276 1.633 1.00 37.67 33 A 1 ATOM 260 C C . SER A 1 33 ? 3.475 15.685 2.424 1.00 37.96 33 A 1 ATOM 261 O O . SER A 1 33 ? 3.268 14.815 3.267 1.00 36.56 33 A 1 ATOM 262 C CB . SER A 1 33 ? 1.254 16.862 2.572 1.00 35.85 33 A 1 ATOM 263 O OG . SER A 1 33 ? 0.203 17.466 1.836 1.00 32.38 33 A 1 ATOM 264 N N . ILE A 1 34 ? 4.697 16.136 2.147 1.00 35.13 34 A 1 ATOM 265 C CA . ILE A 1 34 ? 5.881 15.758 2.926 1.00 35.59 34 A 1 ATOM 266 C C . ILE A 1 34 ? 5.926 16.677 4.147 1.00 35.31 34 A 1 ATOM 267 O O . ILE A 1 34 ? 6.048 17.895 4.008 1.00 34.10 34 A 1 ATOM 268 C CB . ILE A 1 34 ? 7.170 15.821 2.071 1.00 34.88 34 A 1 ATOM 269 C CG1 . ILE A 1 34 ? 7.057 14.884 0.842 1.00 32.68 34 A 1 ATOM 270 C CG2 . ILE A 1 34 ? 8.393 15.451 2.932 1.00 32.81 34 A 1 ATOM 271 C CD1 . ILE A 1 34 ? 8.236 14.971 -0.138 1.00 31.53 34 A 1 ATOM 272 N N . TYR A 1 35 ? 5.810 16.111 5.346 1.00 33.33 35 A 1 ATOM 273 C CA . TYR A 1 35 ? 5.927 16.850 6.603 1.00 33.92 35 A 1 ATOM 274 C C . TYR A 1 35 ? 7.293 16.569 7.235 1.00 34.15 35 A 1 ATOM 275 O O . TYR A 1 35 ? 7.548 15.468 7.717 1.00 33.15 35 A 1 ATOM 276 C CB . TYR A 1 35 ? 4.784 16.475 7.556 1.00 32.24 35 A 1 ATOM 277 C CG . TYR A 1 35 ? 3.402 16.894 7.079 1.00 29.43 35 A 1 ATOM 278 C CD1 . TYR A 1 35 ? 2.937 18.203 7.320 1.00 26.78 35 A 1 ATOM 279 C CD2 . TYR A 1 35 ? 2.582 15.975 6.397 1.00 26.65 35 A 1 ATOM 280 C CE1 . TYR A 1 35 ? 1.657 18.594 6.883 1.00 24.68 35 A 1 ATOM 281 C CE2 . TYR A 1 35 ? 1.303 16.365 5.954 1.00 25.21 35 A 1 ATOM 282 C CZ . TYR A 1 35 ? 0.840 17.674 6.196 1.00 24.35 35 A 1 ATOM 283 O OH . TYR A 1 35 ? -0.397 18.053 5.765 1.00 23.50 35 A 1 ATOM 284 N N . GLU A 1 36 ? 8.159 17.570 7.289 1.00 35.60 36 A 1 ATOM 285 C CA . GLU A 1 36 ? 9.373 17.507 8.106 1.00 36.67 36 A 1 ATOM 286 C C . GLU A 1 36 ? 9.072 18.101 9.486 1.00 36.49 36 A 1 ATOM 287 O O . GLU A 1 36 ? 8.658 19.256 9.626 1.00 35.56 36 A 1 ATOM 288 C CB . GLU A 1 36 ? 10.546 18.191 7.392 1.00 35.99 36 A 1 ATOM 289 C CG . GLU A 1 36 ? 11.888 17.808 8.043 1.00 32.92 36 A 1 ATOM 290 C CD . GLU A 1 36 ? 13.110 18.421 7.340 1.00 30.78 36 A 1 ATOM 291 O OE1 . GLU A 1 36 ? 14.229 17.966 7.660 1.00 29.36 36 A 1 ATOM 292 O OE2 . GLU A 1 36 ? 12.923 19.358 6.533 1.00 30.24 36 A 1 ATOM 293 N N . LYS A 1 37 ? 9.244 17.301 10.535 1.00 34.42 37 A 1 ATOM 294 C CA . LYS A 1 37 ? 9.056 17.744 11.921 1.00 35.19 37 A 1 ATOM 295 C C . LYS A 1 37 ? 10.338 18.433 12.391 1.00 35.11 37 A 1 ATOM 296 O O . LYS A 1 37 ? 11.200 17.809 12.992 1.00 33.33 37 A 1 ATOM 297 C CB . LYS A 1 37 ? 8.612 16.547 12.784 1.00 33.34 37 A 1 ATOM 298 C CG . LYS A 1 37 ? 7.874 16.974 14.066 1.00 29.58 37 A 1 ATOM 299 C CD . LYS A 1 37 ? 7.451 15.725 14.854 1.00 27.90 37 A 1 ATOM 300 C CE . LYS A 1 37 ? 6.525 16.057 16.021 1.00 25.27 37 A 1 ATOM 301 N NZ . LYS A 1 37 ? 6.108 14.821 16.741 1.00 23.06 37 A 1 ATOM 302 N N . VAL A 1 38 ? 10.456 19.726 12.111 1.00 38.34 38 A 1 ATOM 303 C CA . VAL A 1 38 ? 11.565 20.544 12.627 1.00 39.35 38 A 1 ATOM 304 C C . VAL A 1 38 ? 11.386 20.705 14.146 1.00 38.66 38 A 1 ATOM 305 O O . VAL A 1 38 ? 10.324 21.167 14.580 1.00 37.30 38 A 1 ATOM 306 C CB . VAL A 1 38 ? 11.659 21.910 11.916 1.00 37.88 38 A 1 ATOM 307 C CG1 . VAL A 1 38 ? 12.918 22.666 12.353 1.00 34.47 38 A 1 ATOM 308 C CG2 . VAL A 1 38 ? 11.718 21.747 10.387 1.00 34.94 38 A 1 ATOM 309 N N . PRO A 1 39 ? 12.361 20.313 14.990 1.00 37.85 39 A 1 ATOM 310 C CA . PRO A 1 39 ? 12.262 20.520 16.428 1.00 39.54 39 A 1 ATOM 311 C C . PRO A 1 39 ? 12.215 22.021 16.727 1.00 39.97 39 A 1 ATOM 312 O O . PRO A 1 39 ? 13.085 22.781 16.308 1.00 38.68 39 A 1 ATOM 313 C CB . PRO A 1 39 ? 13.476 19.813 17.038 1.00 37.65 39 A 1 ATOM 314 C CG . PRO A 1 39 ? 14.491 19.775 15.899 1.00 36.21 39 A 1 ATOM 315 C CD . PRO A 1 39 ? 13.632 19.701 14.639 1.00 39.23 39 A 1 ATOM 316 N N . SER A 1 40 ? 11.189 22.458 17.462 1.00 38.77 40 A 1 ATOM 317 C CA . SER A 1 40 ? 11.007 23.857 17.850 1.00 40.77 40 A 1 ATOM 318 C C . SER A 1 40 ? 12.023 24.250 18.923 1.00 40.17 40 A 1 ATOM 319 O O . SER A 1 40 ? 11.742 24.201 20.118 1.00 37.72 40 A 1 ATOM 320 C CB . SER A 1 40 ? 9.563 24.108 18.309 1.00 38.60 40 A 1 ATOM 321 O OG . SER A 1 40 ? 9.308 23.458 19.536 1.00 34.81 40 A 1 ATOM 322 N N . THR A 1 41 ? 13.213 24.642 18.510 1.00 41.91 41 A 1 ATOM 323 C CA . THR A 1 41 ? 14.066 25.529 19.299 1.00 44.95 41 A 1 ATOM 324 C C . THR A 1 41 ? 13.783 26.943 18.814 1.00 45.27 41 A 1 ATOM 325 O O . THR A 1 41 ? 13.890 27.219 17.623 1.00 41.95 41 A 1 ATOM 326 C CB . THR A 1 41 ? 15.547 25.147 19.206 1.00 41.55 41 A 1 ATOM 327 O OG1 . THR A 1 41 ? 15.941 24.919 17.878 1.00 36.95 41 A 1 ATOM 328 C CG2 . THR A 1 41 ? 15.818 23.858 19.989 1.00 37.75 41 A 1 ATOM 329 N N . GLY A 1 42 ? 13.325 27.807 19.719 1.00 42.07 42 A 1 ATOM 330 C CA . GLY A 1 42 ? 12.856 29.173 19.438 1.00 44.09 42 A 1 ATOM 331 C C . GLY A 1 42 ? 13.947 30.139 18.956 1.00 44.88 42 A 1 ATOM 332 O O . GLY A 1 42 ? 14.190 31.155 19.597 1.00 42.33 42 A 1 ATOM 333 N N . ALA A 1 43 ? 14.606 29.814 17.874 1.00 42.74 43 A 1 ATOM 334 C CA . ALA A 1 43 ? 15.480 30.693 17.125 1.00 45.09 43 A 1 ATOM 335 C C . ALA A 1 43 ? 14.774 31.055 15.815 1.00 45.95 43 A 1 ATOM 336 O O . ALA A 1 43 ? 14.301 30.167 15.108 1.00 43.97 43 A 1 ATOM 337 C CB . ALA A 1 43 ? 16.827 29.995 16.914 1.00 43.00 43 A 1 ATOM 338 N N . ASP A 1 44 ? 14.687 32.351 15.528 1.00 40.07 44 A 1 ATOM 339 C CA . ASP A 1 44 ? 14.271 32.867 14.224 1.00 42.60 44 A 1 ATOM 340 C C . ASP A 1 44 ? 15.128 32.212 13.135 1.00 42.01 44 A 1 ATOM 341 O O . ASP A 1 44 ? 16.293 32.565 12.930 1.00 40.08 44 A 1 ATOM 342 C CB . ASP A 1 44 ? 14.430 34.403 14.182 1.00 40.67 44 A 1 ATOM 343 C CG . ASP A 1 44 ? 13.197 35.174 14.663 1.00 35.94 44 A 1 ATOM 344 O OD1 . ASP A 1 44 ? 12.077 34.730 14.332 1.00 33.71 44 A 1 ATOM 345 O OD2 . ASP A 1 44 ? 13.393 36.211 15.333 1.00 33.11 44 A 1 ATOM 346 N N . ILE A 1 45 ? 14.567 31.231 12.452 1.00 41.03 45 A 1 ATOM 347 C CA . ILE A 1 45 ? 15.185 30.658 11.261 1.00 42.41 45 A 1 ATOM 348 C C . ILE A 1 45 ? 14.909 31.651 10.135 1.00 42.00 45 A 1 ATOM 349 O O . ILE A 1 45 ? 13.881 31.591 9.464 1.00 39.91 45 A 1 ATOM 350 C CB . ILE A 1 45 ? 14.695 29.221 10.960 1.00 40.77 45 A 1 ATOM 351 C CG1 . ILE A 1 45 ? 14.817 28.314 12.210 1.00 37.66 45 A 1 ATOM 352 C CG2 . ILE A 1 45 ? 15.511 28.646 9.790 1.00 37.89 45 A 1 ATOM 353 C CD1 . ILE A 1 45 ? 14.263 26.895 12.015 1.00 36.04 45 A 1 ATOM 354 N N . SER A 1 46 ? 15.823 32.610 9.967 1.00 45.14 46 A 1 ATOM 355 C CA . SER A 1 46 ? 15.884 33.383 8.730 1.00 47.97 46 A 1 ATOM 356 C C . SER A 1 46 ? 15.942 32.397 7.569 1.00 48.44 46 A 1 ATOM 357 O O . SER A 1 46 ? 16.814 31.522 7.556 1.00 45.33 46 A 1 ATOM 358 C CB . SER A 1 46 ? 17.110 34.307 8.723 1.00 44.98 46 A 1 ATOM 359 O OG . SER A 1 46 ? 18.306 33.564 8.809 1.00 38.61 46 A 1 ATOM 360 N N . GLU A 1 47 ? 15.004 32.515 6.630 1.00 45.50 47 A 1 ATOM 361 C CA . GLU A 1 47 ? 14.929 31.685 5.427 1.00 47.88 47 A 1 ATOM 362 C C . GLU A 1 47 ? 16.262 31.729 4.654 1.00 48.29 47 A 1 ATOM 363 O O . GLU A 1 47 ? 16.485 32.615 3.828 1.00 46.10 47 A 1 ATOM 364 C CB . GLU A 1 47 ? 13.800 32.188 4.515 1.00 46.41 47 A 1 ATOM 365 C CG . GLU A 1 47 ? 12.363 32.045 5.041 1.00 41.55 47 A 1 ATOM 366 C CD . GLU A 1 47 ? 11.381 32.402 3.907 1.00 39.01 47 A 1 ATOM 367 O OE1 . GLU A 1 47 ? 10.562 31.526 3.530 1.00 37.46 47 A 1 ATOM 368 O OE2 . GLU A 1 47 ? 11.558 33.460 3.270 1.00 37.07 47 A 1 ATOM 369 N N . SER A 1 48 ? 17.178 30.795 4.927 1.00 52.68 48 A 1 ATOM 370 C CA . SER A 1 48 ? 18.362 30.643 4.089 1.00 54.45 48 A 1 ATOM 371 C C . SER A 1 48 ? 17.980 29.826 2.854 1.00 55.33 48 A 1 ATOM 372 O O . SER A 1 48 ? 17.404 28.739 2.959 1.00 51.87 48 A 1 ATOM 373 C CB . SER A 1 48 ? 19.561 30.078 4.863 1.00 50.93 48 A 1 ATOM 374 O OG . SER A 1 48 ? 19.491 28.685 5.049 1.00 44.03 48 A 1 ATOM 375 N N . ASN A 1 49 ? 18.284 30.361 1.678 1.00 56.65 49 A 1 ATOM 376 C CA . ASN A 1 49 ? 18.068 29.676 0.398 1.00 59.80 49 A 1 ATOM 377 C C . ASN A 1 49 ? 18.743 28.291 0.355 1.00 59.92 49 A 1 ATOM 378 O O . ASN A 1 49 ? 18.196 27.370 -0.250 1.00 57.17 49 A 1 ATOM 379 C CB . ASN A 1 49 ? 18.545 30.597 -0.739 1.00 58.17 49 A 1 ATOM 380 C CG . ASN A 1 49 ? 17.581 31.735 -1.045 1.00 53.79 49 A 1 ATOM 381 O OD1 . ASN A 1 49 ? 16.372 31.638 -0.877 1.00 51.13 49 A 1 ATOM 382 N ND2 . ASN A 1 49 ? 18.076 32.847 -1.527 1.00 49.56 49 A 1 ATOM 383 N N . ASP A 1 50 ? 19.825 28.092 1.108 1.00 60.60 50 A 1 ATOM 384 C CA . ASP A 1 50 ? 20.547 26.820 1.242 1.00 62.91 50 A 1 ATOM 385 C C . ASP A 1 50 ? 19.679 25.653 1.745 1.00 62.60 50 A 1 ATOM 386 O O . ASP A 1 50 ? 19.883 24.505 1.342 1.00 59.82 50 A 1 ATOM 387 C CB . ASP A 1 50 ? 21.713 27.000 2.230 1.00 60.61 50 A 1 ATOM 388 C CG . ASP A 1 50 ? 22.951 27.690 1.651 1.00 55.74 50 A 1 ATOM 389 O OD1 . ASP A 1 50 ? 22.982 27.925 0.428 1.00 53.72 50 A 1 ATOM 390 O OD2 . ASP A 1 50 ? 23.866 27.946 2.463 1.00 53.25 50 A 1 ATOM 391 N N . SER A 1 51 ? 18.692 25.908 2.615 1.00 57.37 51 A 1 ATOM 392 C CA . SER A 1 51 ? 17.800 24.859 3.124 1.00 57.53 51 A 1 ATOM 393 C C . SER A 1 51 ? 16.786 24.416 2.068 1.00 57.37 51 A 1 ATOM 394 O O . SER A 1 51 ? 16.510 23.223 1.941 1.00 55.00 51 A 1 ATOM 395 C CB . SER A 1 51 ? 17.088 25.329 4.391 1.00 54.47 51 A 1 ATOM 396 O OG . SER A 1 51 ? 18.043 25.588 5.407 1.00 48.39 51 A 1 ATOM 397 N N . LYS A 1 52 ? 16.274 25.360 1.262 1.00 53.44 52 A 1 ATOM 398 C CA . LYS A 1 52 ? 15.344 25.068 0.159 1.00 54.22 52 A 1 ATOM 399 C C . LYS A 1 52 ? 16.030 24.279 -0.963 1.00 54.61 52 A 1 ATOM 400 O O . LYS A 1 52 ? 15.431 23.353 -1.513 1.00 53.55 52 A 1 ATOM 401 C CB . LYS A 1 52 ? 14.709 26.373 -0.368 1.00 52.30 52 A 1 ATOM 402 C CG . LYS A 1 52 ? 13.728 27.003 0.646 1.00 47.53 52 A 1 ATOM 403 C CD . LYS A 1 52 ? 13.093 28.323 0.157 1.00 45.52 52 A 1 ATOM 404 C CE . LYS A 1 52 ? 12.170 28.881 1.264 1.00 41.73 52 A 1 ATOM 405 N NZ . LYS A 1 52 ? 11.677 30.269 1.046 1.00 38.70 52 A 1 ATOM 406 N N . ASP A 1 53 ? 17.282 24.592 -1.257 1.00 61.60 53 A 1 ATOM 407 C CA . ASP A 1 53 ? 18.044 23.904 -2.299 1.00 63.91 53 A 1 ATOM 408 C C . ASP A 1 53 ? 18.478 22.496 -1.872 1.00 63.12 53 A 1 ATOM 409 O O . ASP A 1 53 ? 18.394 21.568 -2.674 1.00 61.59 53 A 1 ATOM 410 C CB . ASP A 1 53 ? 19.201 24.798 -2.760 1.00 62.86 53 A 1 ATOM 411 C CG . ASP A 1 53 ? 18.708 26.036 -3.537 1.00 60.22 53 A 1 ATOM 412 O OD1 . ASP A 1 53 ? 17.576 25.988 -4.100 1.00 58.02 53 A 1 ATOM 413 O OD2 . ASP A 1 53 ? 19.455 27.032 -3.575 1.00 57.19 53 A 1 ATOM 414 N N . LYS A 1 54 ? 18.799 22.275 -0.587 1.00 61.68 54 A 1 ATOM 415 C CA . LYS A 1 54 ? 19.035 20.925 -0.040 1.00 62.25 54 A 1 ATOM 416 C C . LYS A 1 54 ? 17.797 20.034 -0.117 1.00 60.44 54 A 1 ATOM 417 O O . LYS A 1 54 ? 17.913 18.886 -0.540 1.00 59.53 54 A 1 ATOM 418 C CB . LYS A 1 54 ? 19.539 21.017 1.404 1.00 60.86 54 A 1 ATOM 419 C CG . LYS A 1 54 ? 21.028 21.373 1.444 1.00 56.09 54 A 1 ATOM 420 C CD . LYS A 1 54 ? 21.491 21.536 2.895 1.00 54.74 54 A 1 ATOM 421 C CE . LYS A 1 54 ? 22.970 21.927 2.904 1.00 49.77 54 A 1 ATOM 422 N NZ . LYS A 1 54 ? 23.463 22.148 4.287 1.00 45.17 54 A 1 ATOM 423 N N . ILE A 1 55 ? 16.615 20.554 0.231 1.00 54.00 55 A 1 ATOM 424 C CA . ILE A 1 55 ? 15.352 19.802 0.147 1.00 53.85 55 A 1 ATOM 425 C C . ILE A 1 55 ? 15.010 19.476 -1.314 1.00 53.65 55 A 1 ATOM 426 O O . ILE A 1 55 ? 14.598 18.357 -1.627 1.00 52.48 55 A 1 ATOM 427 C CB . ILE A 1 55 ? 14.221 20.588 0.851 1.00 51.91 55 A 1 ATOM 428 C CG1 . ILE A 1 55 ? 14.490 20.659 2.374 1.00 47.61 55 A 1 ATOM 429 C CG2 . ILE A 1 55 ? 12.844 19.949 0.590 1.00 46.19 55 A 1 ATOM 430 C CD1 . ILE A 1 55 ? 13.620 21.680 3.115 1.00 44.23 55 A 1 ATOM 431 N N . ARG A 1 56 ? 15.226 20.419 -2.239 1.00 57.97 56 A 1 ATOM 432 C CA . ARG A 1 56 ? 15.043 20.179 -3.680 1.00 58.38 56 A 1 ATOM 433 C C . ARG A 1 56 ? 15.993 19.114 -4.212 1.00 58.65 56 A 1 ATOM 434 O O . ARG A 1 56 ? 15.562 18.278 -5.002 1.00 57.78 56 A 1 ATOM 435 C CB . ARG A 1 56 ? 15.255 21.480 -4.461 1.00 56.71 56 A 1 ATOM 436 C CG . ARG A 1 56 ? 14.042 22.404 -4.367 1.00 51.46 56 A 1 ATOM 437 C CD . ARG A 1 56 ? 14.418 23.739 -5.002 1.00 51.03 56 A 1 ATOM 438 N NE . ARG A 1 56 ? 13.275 24.661 -5.067 1.00 45.26 56 A 1 ATOM 439 C CZ . ARG A 1 56 ? 13.358 25.951 -5.332 1.00 41.70 56 A 1 ATOM 440 N NH1 . ARG A 1 56 ? 14.511 26.539 -5.528 1.00 39.84 56 A 1 ATOM 441 N NH2 . ARG A 1 56 ? 12.276 26.672 -5.410 1.00 37.87 56 A 1 ATOM 442 N N . GLN A 1 57 ? 17.246 19.129 -3.776 1.00 64.80 57 A 1 ATOM 443 C CA . GLN A 1 57 ? 18.227 18.129 -4.185 1.00 66.38 57 A 1 ATOM 444 C C . GLN A 1 57 ? 17.863 16.743 -3.639 1.00 65.00 57 A 1 ATOM 445 O O . GLN A 1 57 ? 17.842 15.791 -4.404 1.00 64.41 57 A 1 ATOM 446 C CB . GLN A 1 57 ? 19.634 18.581 -3.768 1.00 67.09 57 A 1 ATOM 447 C CG . GLN A 1 57 ? 20.727 17.699 -4.390 1.00 64.29 57 A 1 ATOM 448 C CD . GLN A 1 57 ? 20.689 17.702 -5.922 1.00 62.84 57 A 1 ATOM 449 O OE1 . GLN A 1 57 ? 20.592 18.738 -6.569 1.00 58.26 57 A 1 ATOM 450 N NE2 . GLN A 1 57 ? 20.732 16.555 -6.557 1.00 55.50 57 A 1 ATOM 451 N N . GLN A 1 58 ? 17.457 16.627 -2.373 1.00 57.99 58 A 1 ATOM 452 C CA . GLN A 1 58 ? 16.992 15.362 -1.793 1.00 58.62 58 A 1 ATOM 453 C C . GLN A 1 58 ? 15.754 14.804 -2.508 1.00 58.19 58 A 1 ATOM 454 O O . GLN A 1 58 ? 15.696 13.607 -2.791 1.00 57.44 58 A 1 ATOM 455 C CB . GLN A 1 58 ? 16.681 15.565 -0.306 1.00 57.46 58 A 1 ATOM 456 C CG . GLN A 1 58 ? 17.959 15.654 0.540 1.00 52.88 58 A 1 ATOM 457 C CD . GLN A 1 58 ? 17.662 15.916 2.013 1.00 49.76 58 A 1 ATOM 458 O OE1 . GLN A 1 58 ? 16.626 16.425 2.404 1.00 47.90 58 A 1 ATOM 459 N NE2 . GLN A 1 58 ? 18.570 15.581 2.902 1.00 44.79 58 A 1 ATOM 460 N N . ALA A 1 59 ? 14.777 15.655 -2.844 1.00 58.79 59 A 1 ATOM 461 C CA . ALA A 1 59 ? 13.603 15.231 -3.610 1.00 57.65 59 A 1 ATOM 462 C C . ALA A 1 59 ? 13.978 14.738 -5.020 1.00 57.95 59 A 1 ATOM 463 O O . ALA A 1 59 ? 13.417 13.755 -5.498 1.00 56.76 59 A 1 ATOM 464 C CB . ALA A 1 59 ? 12.609 16.398 -3.666 1.00 55.54 59 A 1 ATOM 465 N N . LYS A 1 60 ? 14.963 15.391 -5.658 1.00 62.11 60 A 1 ATOM 466 C CA . LYS A 1 60 ? 15.493 14.974 -6.957 1.00 62.85 60 A 1 ATOM 467 C C . LYS A 1 60 ? 16.246 13.643 -6.861 1.00 62.35 60 A 1 ATOM 468 O O . LYS A 1 60 ? 15.977 12.752 -7.654 1.00 60.98 60 A 1 ATOM 469 C CB . LYS A 1 60 ? 16.360 16.101 -7.525 1.00 61.72 60 A 1 ATOM 470 C CG . LYS A 1 60 ? 16.736 15.787 -8.973 1.00 56.30 60 A 1 ATOM 471 C CD . LYS A 1 60 ? 17.644 16.873 -9.556 1.00 55.61 60 A 1 ATOM 472 C CE . LYS A 1 60 ? 18.035 16.388 -10.951 1.00 49.75 60 A 1 ATOM 473 N NZ . LYS A 1 60 ? 19.099 17.230 -11.534 1.00 45.37 60 A 1 ATOM 474 N N . ASP A 1 61 ? 17.088 13.467 -5.856 1.00 60.25 61 A 1 ATOM 475 C CA . ASP A 1 61 ? 17.843 12.227 -5.638 1.00 61.18 61 A 1 ATOM 476 C C . ASP A 1 61 ? 16.913 11.029 -5.364 1.00 59.72 61 A 1 ATOM 477 O O . ASP A 1 61 ? 17.207 9.904 -5.762 1.00 59.27 61 A 1 ATOM 478 C CB . ASP A 1 61 ? 18.813 12.406 -4.457 1.00 60.80 61 A 1 ATOM 479 C CG . ASP A 1 61 ? 19.918 13.462 -4.642 1.00 58.54 61 A 1 ATOM 480 O OD1 . ASP A 1 61 ? 20.152 13.948 -5.770 1.00 57.18 61 A 1 ATOM 481 O OD2 . ASP A 1 61 ? 20.539 13.808 -3.612 1.00 56.28 61 A 1 ATOM 482 N N . ILE A 1 62 ? 15.776 11.251 -4.693 1.00 55.11 62 A 1 ATOM 483 C CA . ILE A 1 62 ? 14.736 10.229 -4.489 1.00 54.72 62 A 1 ATOM 484 C C . ILE A 1 62 ? 14.041 9.895 -5.813 1.00 54.69 62 A 1 ATOM 485 O O . ILE A 1 62 ? 13.851 8.716 -6.114 1.00 53.59 62 A 1 ATOM 486 C CB . ILE A 1 62 ? 13.740 10.681 -3.396 1.00 52.66 62 A 1 ATOM 487 C CG1 . ILE A 1 62 ? 14.435 10.689 -2.013 1.00 48.88 62 A 1 ATOM 488 C CG2 . ILE A 1 62 ? 12.495 9.769 -3.345 1.00 47.26 62 A 1 ATOM 489 C CD1 . ILE A 1 62 ? 13.654 11.440 -0.926 1.00 45.64 62 A 1 ATOM 490 N N . LEU A 1 63 ? 13.695 10.901 -6.620 1.00 56.37 63 A 1 ATOM 491 C CA . LEU A 1 63 ? 13.098 10.702 -7.945 1.00 56.60 63 A 1 ATOM 492 C C . LEU A 1 63 ? 14.038 9.950 -8.893 1.00 57.26 63 A 1 ATOM 493 O O . LEU A 1 63 ? 13.604 8.996 -9.536 1.00 55.84 63 A 1 ATOM 494 C CB . LEU A 1 63 ? 12.705 12.069 -8.534 1.00 54.56 63 A 1 ATOM 495 C CG . LEU A 1 63 ? 11.322 12.548 -8.064 1.00 49.37 63 A 1 ATOM 496 C CD1 . LEU A 1 63 ? 11.182 14.058 -8.252 1.00 45.77 63 A 1 ATOM 497 C CD2 . LEU A 1 63 ? 10.214 11.867 -8.870 1.00 45.62 63 A 1 ATOM 498 N N . ASP A 1 64 ? 15.316 10.324 -8.927 1.00 62.65 64 A 1 ATOM 499 C CA . ASP A 1 64 ? 16.337 9.685 -9.759 1.00 63.50 64 A 1 ATOM 500 C C . ASP A 1 64 ? 16.556 8.219 -9.330 1.00 61.91 64 A 1 ATOM 501 O O . ASP A 1 64 ? 16.666 7.338 -10.178 1.00 60.38 64 A 1 ATOM 502 C CB . ASP A 1 64 ? 17.645 10.506 -9.708 1.00 62.89 64 A 1 ATOM 503 C CG . ASP A 1 64 ? 17.591 11.895 -10.398 1.00 60.77 64 A 1 ATOM 504 O OD1 . ASP A 1 64 ? 16.618 12.192 -11.127 1.00 59.97 64 A 1 ATOM 505 O OD2 . ASP A 1 64 ? 18.547 12.692 -10.219 1.00 57.99 64 A 1 ATOM 506 N N . LYS A 1 65 ? 16.509 7.906 -8.023 1.00 56.07 65 A 1 ATOM 507 C CA . LYS A 1 65 ? 16.543 6.519 -7.515 1.00 56.20 65 A 1 ATOM 508 C C . LYS A 1 65 ? 15.311 5.706 -7.908 1.00 54.94 65 A 1 ATOM 509 O O . LYS A 1 65 ? 15.448 4.543 -8.276 1.00 54.52 65 A 1 ATOM 510 C CB . LYS A 1 65 ? 16.688 6.502 -5.989 1.00 54.68 65 A 1 ATOM 511 C CG . LYS A 1 65 ? 18.144 6.721 -5.565 1.00 50.60 65 A 1 ATOM 512 C CD . LYS A 1 65 ? 18.226 6.729 -4.036 1.00 49.11 65 A 1 ATOM 513 C CE . LYS A 1 65 ? 19.683 6.928 -3.622 1.00 45.91 65 A 1 ATOM 514 N NZ . LYS A 1 65 ? 19.821 6.881 -2.147 1.00 41.25 65 A 1 ATOM 515 N N . ILE A 1 66 ? 14.119 6.300 -7.847 1.00 54.37 66 A 1 ATOM 516 C CA . ILE A 1 66 ? 12.885 5.628 -8.282 1.00 53.68 66 A 1 ATOM 517 C C . ILE A 1 66 ? 12.947 5.338 -9.789 1.00 52.98 66 A 1 ATOM 518 O O . ILE A 1 66 ? 12.584 4.242 -10.211 1.00 51.55 66 A 1 ATOM 519 C CB . ILE A 1 66 ? 11.647 6.462 -7.882 1.00 51.87 66 A 1 ATOM 520 C CG1 . ILE A 1 66 ? 11.475 6.456 -6.343 1.00 48.55 66 A 1 ATOM 521 C CG2 . ILE A 1 66 ? 10.362 5.928 -8.549 1.00 47.60 66 A 1 ATOM 522 C CD1 . ILE A 1 66 ? 10.498 7.520 -5.823 1.00 46.12 66 A 1 ATOM 523 N N . GLN A 1 67 ? 13.448 6.278 -10.591 1.00 54.78 67 A 1 ATOM 524 C CA . GLN A 1 67 ? 13.620 6.086 -12.034 1.00 55.50 67 A 1 ATOM 525 C C . GLN A 1 67 ? 14.697 5.044 -12.364 1.00 54.93 67 A 1 ATOM 526 O O . GLN A 1 67 ? 14.453 4.194 -13.218 1.00 53.33 67 A 1 ATOM 527 C CB . GLN A 1 67 ? 13.923 7.432 -12.706 1.00 53.93 67 A 1 ATOM 528 C CG . GLN A 1 67 ? 12.650 8.290 -12.809 1.00 49.46 67 A 1 ATOM 529 C CD . GLN A 1 67 ? 12.884 9.637 -13.488 1.00 47.08 67 A 1 ATOM 530 O OE1 . GLN A 1 67 ? 13.930 10.254 -13.442 1.00 45.68 67 A 1 ATOM 531 N NE2 . GLN A 1 67 ? 11.883 10.170 -14.154 1.00 42.70 67 A 1 ATOM 532 N N . SER A 1 68 ? 15.829 5.025 -11.660 1.00 57.20 68 A 1 ATOM 533 C CA . SER A 1 68 ? 16.878 4.018 -11.888 1.00 57.17 68 A 1 ATOM 534 C C . SER A 1 68 ? 16.425 2.599 -11.537 1.00 56.28 68 A 1 ATOM 535 O O . SER A 1 68 ? 16.741 1.663 -12.268 1.00 53.91 68 A 1 ATOM 536 C CB . SER A 1 68 ? 18.166 4.372 -11.137 1.00 55.50 68 A 1 ATOM 537 O OG . SER A 1 68 ? 18.017 4.349 -9.732 1.00 50.04 68 A 1 ATOM 538 N N . HIS A 1 69 ? 15.621 2.433 -10.481 1.00 53.95 69 A 1 ATOM 539 C CA . HIS A 1 69 ? 15.012 1.136 -10.161 1.00 53.56 69 A 1 ATOM 540 C C . HIS A 1 69 ? 13.946 0.710 -11.181 1.00 53.31 69 A 1 ATOM 541 O O . HIS A 1 69 ? 13.738 -0.484 -11.390 1.00 51.35 69 A 1 ATOM 542 C CB . HIS A 1 69 ? 14.438 1.177 -8.737 1.00 49.90 69 A 1 ATOM 543 C CG . HIS A 1 69 ? 15.493 1.012 -7.668 1.00 45.34 69 A 1 ATOM 544 N ND1 . HIS A 1 69 ? 16.366 -0.045 -7.568 1.00 41.55 69 A 1 ATOM 545 C CD2 . HIS A 1 69 ? 15.752 1.843 -6.608 1.00 39.36 69 A 1 ATOM 546 C CE1 . HIS A 1 69 ? 17.132 0.140 -6.480 1.00 37.94 69 A 1 ATOM 547 N NE2 . HIS A 1 69 ? 16.790 1.281 -5.856 1.00 37.88 69 A 1 ATOM 548 N N . GLN A 1 70 ? 13.282 1.658 -11.860 1.00 52.02 70 A 1 ATOM 549 C CA . GLN A 1 70 ? 12.320 1.341 -12.922 1.00 53.04 70 A 1 ATOM 550 C C . GLN A 1 70 ? 12.981 0.850 -14.223 1.00 52.60 70 A 1 ATOM 551 O O . GLN A 1 70 ? 12.326 0.134 -14.983 1.00 51.13 70 A 1 ATOM 552 C CB . GLN A 1 70 ? 11.437 2.561 -13.208 1.00 50.72 70 A 1 ATOM 553 C CG . GLN A 1 70 ? 10.351 2.759 -12.136 1.00 45.80 70 A 1 ATOM 554 C CD . GLN A 1 70 ? 9.460 3.968 -12.407 1.00 43.00 70 A 1 ATOM 555 O OE1 . GLN A 1 70 ? 9.728 4.843 -13.212 1.00 41.76 70 A 1 ATOM 556 N NE2 . GLN A 1 70 ? 8.326 4.056 -11.741 1.00 38.98 70 A 1 ATOM 557 N N . GLU A 1 71 ? 14.233 1.213 -14.495 1.00 50.64 71 A 1 ATOM 558 C CA . GLU A 1 71 ? 14.963 0.789 -15.702 1.00 51.40 71 A 1 ATOM 559 C C . GLU A 1 71 ? 15.624 -0.599 -15.562 1.00 50.27 71 A 1 ATOM 560 O O . GLU A 1 71 ? 15.884 -1.244 -16.574 1.00 47.83 71 A 1 ATOM 561 C CB . GLU A 1 71 ? 15.975 1.874 -16.116 1.00 49.46 71 A 1 ATOM 562 C CG . GLU A 1 71 ? 15.276 3.132 -16.677 1.00 42.98 71 A 1 ATOM 563 C CD . GLU A 1 71 ? 16.234 4.225 -17.204 1.00 40.82 71 A 1 ATOM 564 O OE1 . GLU A 1 71 ? 15.715 5.194 -17.811 1.00 38.61 71 A 1 ATOM 565 O OE2 . GLU A 1 71 ? 17.467 4.113 -17.017 1.00 39.97 71 A 1 ATOM 566 N N . GLU A 1 72 ? 15.838 -1.104 -14.338 1.00 50.38 72 A 1 ATOM 567 C CA . GLU A 1 72 ? 16.467 -2.420 -14.091 1.00 50.59 72 A 1 ATOM 568 C C . GLU A 1 72 ? 15.479 -3.610 -14.037 1.00 49.64 72 A 1 ATOM 569 O O . GLU A 1 72 ? 15.913 -4.763 -14.092 1.00 47.20 72 A 1 ATOM 570 C CB . GLU A 1 72 ? 17.373 -2.352 -12.847 1.00 48.58 72 A 1 ATOM 571 C CG . GLU A 1 72 ? 18.678 -1.580 -13.125 1.00 41.96 72 A 1 ATOM 572 C CD . GLU A 1 72 ? 19.698 -1.596 -11.965 1.00 39.60 72 A 1 ATOM 573 O OE1 . GLU A 1 72 ? 20.876 -1.259 -12.232 1.00 37.67 72 A 1 ATOM 574 O OE2 . GLU A 1 72 ? 19.319 -1.932 -10.820 1.00 38.32 72 A 1 ATOM 575 N N . GLU A 1 73 ? 14.154 -3.381 -13.993 1.00 46.75 73 A 1 ATOM 576 C CA . GLU A 1 73 ? 13.153 -4.450 -13.779 1.00 47.74 73 A 1 ATOM 577 C C . GLU A 1 73 ? 12.325 -4.796 -15.034 1.00 47.77 73 A 1 ATOM 578 O O . GLU A 1 73 ? 11.110 -4.585 -15.107 1.00 45.76 73 A 1 ATOM 579 C CB . GLU A 1 73 ? 12.288 -4.138 -12.547 1.00 45.75 73 A 1 ATOM 580 C CG . GLU A 1 73 ? 13.047 -4.285 -11.216 1.00 39.88 73 A 1 ATOM 581 C CD . GLU A 1 73 ? 12.150 -4.093 -9.977 1.00 37.44 73 A 1 ATOM 582 O OE1 . GLU A 1 73 ? 12.658 -4.298 -8.850 1.00 35.26 73 A 1 ATOM 583 O OE2 . GLU A 1 73 ? 10.957 -3.740 -10.142 1.00 35.41 73 A 1 ATOM 584 N N . GLU A 1 74 ? 12.968 -5.410 -16.040 1.00 44.06 74 A 1 ATOM 585 C CA . GLU A 1 74 ? 12.296 -6.348 -16.970 1.00 46.01 74 A 1 ATOM 586 C C . GLU A 1 74 ? 12.290 -7.797 -16.432 1.00 47.31 74 A 1 ATOM 587 O O . GLU A 1 74 ? 11.611 -8.658 -16.990 1.00 45.22 74 A 1 ATOM 588 C CB . GLU A 1 74 ? 12.896 -6.290 -18.394 1.00 43.96 74 A 1 ATOM 589 C CG . GLU A 1 74 ? 12.188 -5.260 -19.299 1.00 37.66 74 A 1 ATOM 590 C CD . GLU A 1 74 ? 12.556 -5.366 -20.797 1.00 34.40 74 A 1 ATOM 591 O OE1 . GLU A 1 74 ? 11.812 -4.776 -21.620 1.00 32.18 74 A 1 ATOM 592 O OE2 . GLU A 1 74 ? 13.552 -6.042 -21.136 1.00 32.47 74 A 1 ATOM 593 N N . SER A 1 75 ? 13.000 -8.075 -15.337 1.00 49.89 75 A 1 ATOM 594 C CA . SER A 1 75 ? 12.932 -9.358 -14.634 1.00 52.02 75 A 1 ATOM 595 C C . SER A 1 75 ? 11.957 -9.263 -13.465 1.00 54.09 75 A 1 ATOM 596 O O . SER A 1 75 ? 12.001 -8.297 -12.705 1.00 51.71 75 A 1 ATOM 597 C CB . SER A 1 75 ? 14.324 -9.773 -14.144 1.00 48.39 75 A 1 ATOM 598 O OG . SER A 1 75 ? 14.901 -8.780 -13.323 1.00 41.90 75 A 1 ATOM 599 N N . THR A 1 76 ? 11.115 -10.277 -13.292 1.00 54.75 76 A 1 ATOM 600 C CA . THR A 1 76 ? 10.283 -10.415 -12.091 1.00 56.95 76 A 1 ATOM 601 C C . THR A 1 76 ? 11.158 -10.234 -10.849 1.00 57.74 76 A 1 ATOM 602 O O . THR A 1 76 ? 12.174 -10.921 -10.725 1.00 56.50 76 A 1 ATOM 603 C CB . THR A 1 76 ? 9.586 -11.790 -12.018 1.00 55.27 76 A 1 ATOM 604 O OG1 . THR A 1 76 ? 9.721 -12.550 -13.200 1.00 49.88 76 A 1 ATOM 605 C CG2 . THR A 1 76 ? 8.087 -11.603 -11.774 1.00 49.56 76 A 1 ATOM 606 N N . PRO A 1 77 ? 10.819 -9.303 -9.948 1.00 57.93 77 A 1 ATOM 607 C CA . PRO A 1 77 ? 11.619 -9.077 -8.749 1.00 59.43 77 A 1 ATOM 608 C C . PRO A 1 77 ? 11.787 -10.377 -7.950 1.00 61.79 77 A 1 ATOM 609 O O . PRO A 1 77 ? 10.818 -11.123 -7.803 1.00 60.17 77 A 1 ATOM 610 C CB . PRO A 1 77 ? 10.863 -8.012 -7.950 1.00 56.52 77 A 1 ATOM 611 C CG . PRO A 1 77 ? 10.034 -7.280 -9.004 1.00 54.13 77 A 1 ATOM 612 C CD . PRO A 1 77 ? 9.716 -8.363 -10.028 1.00 56.70 77 A 1 ATOM 613 N N . GLU A 1 78 ? 12.980 -10.649 -7.398 1.00 57.77 78 A 1 ATOM 614 C CA . GLU A 1 78 ? 13.267 -11.897 -6.647 1.00 60.03 78 A 1 ATOM 615 C C . GLU A 1 78 ? 12.229 -12.187 -5.543 1.00 61.67 78 A 1 ATOM 616 O O . GLU A 1 78 ? 11.911 -13.340 -5.263 1.00 58.79 78 A 1 ATOM 617 C CB . GLU A 1 78 ? 14.666 -11.819 -5.993 1.00 57.20 78 A 1 ATOM 618 C CG . GLU A 1 78 ? 15.814 -12.310 -6.893 1.00 51.36 78 A 1 ATOM 619 C CD . GLU A 1 78 ? 17.193 -12.286 -6.193 1.00 47.49 78 A 1 ATOM 620 O OE1 . GLU A 1 78 ? 18.101 -13.021 -6.649 1.00 44.08 78 A 1 ATOM 621 O OE2 . GLU A 1 78 ? 17.359 -11.515 -5.223 1.00 45.25 78 A 1 ATOM 622 N N . TRP A 1 79 ? 11.628 -11.146 -4.952 1.00 60.23 79 A 1 ATOM 623 C CA . TRP A 1 79 ? 10.586 -11.295 -3.931 1.00 59.72 79 A 1 ATOM 624 C C . TRP A 1 79 ? 9.228 -11.759 -4.487 1.00 60.61 79 A 1 ATOM 625 O O . TRP A 1 79 ? 8.371 -12.180 -3.711 1.00 58.99 79 A 1 ATOM 626 C CB . TRP A 1 79 ? 10.455 -9.982 -3.153 1.00 56.49 79 A 1 ATOM 627 C CG . TRP A 1 79 ? 10.079 -8.772 -3.952 1.00 53.29 79 A 1 ATOM 628 C CD1 . TRP A 1 79 ? 10.938 -7.835 -4.410 1.00 48.76 79 A 1 ATOM 629 C CD2 . TRP A 1 79 ? 8.754 -8.349 -4.406 1.00 49.58 79 A 1 ATOM 630 N NE1 . TRP A 1 79 ? 10.247 -6.867 -5.118 1.00 44.74 79 A 1 ATOM 631 C CE2 . TRP A 1 79 ? 8.895 -7.139 -5.158 1.00 46.61 79 A 1 ATOM 632 C CE3 . TRP A 1 79 ? 7.451 -8.859 -4.270 1.00 45.15 79 A 1 ATOM 633 C CZ2 . TRP A 1 79 ? 7.802 -6.490 -5.755 1.00 45.81 79 A 1 ATOM 634 C CZ3 . TRP A 1 79 ? 6.345 -8.217 -4.868 1.00 44.84 79 A 1 ATOM 635 C CH2 . TRP A 1 79 ? 6.522 -7.043 -5.611 1.00 43.85 79 A 1 ATOM 636 N N . MET A 1 80 ? 9.007 -11.711 -5.811 1.00 61.67 80 A 1 ATOM 637 C CA . MET A 1 80 ? 7.823 -12.291 -6.469 1.00 63.68 80 A 1 ATOM 638 C C . MET A 1 80 ? 7.987 -13.779 -6.793 1.00 66.85 80 A 1 ATOM 639 O O . MET A 1 80 ? 6.997 -14.422 -7.171 1.00 65.08 80 A 1 ATOM 640 C CB . MET A 1 80 ? 7.444 -11.506 -7.735 1.00 60.10 80 A 1 ATOM 641 C CG . MET A 1 80 ? 6.842 -10.142 -7.411 1.00 55.65 80 A 1 ATOM 642 S SD . MET A 1 80 ? 6.122 -9.246 -8.822 1.00 52.16 80 A 1 ATOM 643 C CE . MET A 1 80 ? 4.621 -10.211 -9.121 1.00 47.34 80 A 1 ATOM 644 N N . GLU A 1 81 ? 9.185 -14.353 -6.633 1.00 62.64 81 A 1 ATOM 645 C CA . GLU A 1 81 ? 9.442 -15.768 -6.886 1.00 66.15 81 A 1 ATOM 646 C C . GLU A 1 81 ? 8.539 -16.634 -5.989 1.00 67.92 81 A 1 ATOM 647 O O . GLU A 1 81 ? 8.513 -16.515 -4.766 1.00 64.23 81 A 1 ATOM 648 C CB . GLU A 1 81 ? 10.942 -16.065 -6.718 1.00 63.69 81 A 1 ATOM 649 C CG . GLU A 1 81 ? 11.335 -17.406 -7.362 1.00 57.54 81 A 1 ATOM 650 C CD . GLU A 1 81 ? 12.846 -17.711 -7.338 1.00 53.60 81 A 1 ATOM 651 O OE1 . GLU A 1 81 ? 13.239 -18.689 -8.025 1.00 49.63 81 A 1 ATOM 652 O OE2 . GLU A 1 81 ? 13.595 -17.027 -6.619 1.00 49.75 81 A 1 ATOM 653 N N . GLY A 1 82 ? 7.708 -17.483 -6.608 1.00 70.35 82 A 1 ATOM 654 C CA . GLY A 1 82 ? 6.696 -18.291 -5.913 1.00 71.29 82 A 1 ATOM 655 C C . GLY A 1 82 ? 5.294 -17.679 -5.825 1.00 75.13 82 A 1 ATOM 656 O O . GLY A 1 82 ? 4.372 -18.364 -5.375 1.00 72.21 82 A 1 ATOM 657 N N . PHE A 1 83 ? 5.089 -16.442 -6.282 1.00 72.47 83 A 1 ATOM 658 C CA . PHE A 1 83 ? 3.760 -15.821 -6.398 1.00 74.09 83 A 1 ATOM 659 C C . PHE A 1 83 ? 3.217 -15.811 -7.837 1.00 73.59 83 A 1 ATOM 660 O O . PHE A 1 83 ? 2.011 -15.664 -8.025 1.00 71.01 83 A 1 ATOM 661 C CB . PHE A 1 83 ? 3.786 -14.406 -5.811 1.00 74.05 83 A 1 ATOM 662 C CG . PHE A 1 83 ? 4.008 -14.358 -4.310 1.00 75.23 83 A 1 ATOM 663 C CD1 . PHE A 1 83 ? 2.908 -14.370 -3.436 1.00 71.53 83 A 1 ATOM 664 C CD2 . PHE A 1 83 ? 5.311 -14.316 -3.786 1.00 72.19 83 A 1 ATOM 665 C CE1 . PHE A 1 83 ? 3.112 -14.339 -2.045 1.00 69.60 83 A 1 ATOM 666 C CE2 . PHE A 1 83 ? 5.518 -14.294 -2.395 1.00 70.56 83 A 1 ATOM 667 C CZ . PHE A 1 83 ? 4.418 -14.303 -1.524 1.00 73.73 83 A 1 ATOM 668 N N . GLU A 1 84 ? 4.071 -16.009 -8.840 1.00 72.82 84 A 1 ATOM 669 C CA . GLU A 1 84 ? 3.733 -15.965 -10.275 1.00 71.52 84 A 1 ATOM 670 C C . GLU A 1 84 ? 2.637 -16.973 -10.670 1.00 72.25 84 A 1 ATOM 671 O O . GLU A 1 84 ? 1.764 -16.689 -11.499 1.00 69.11 84 A 1 ATOM 672 C CB . GLU A 1 84 ? 5.002 -16.256 -11.096 1.00 68.55 84 A 1 ATOM 673 C CG . GLU A 1 84 ? 6.119 -15.227 -10.874 1.00 62.18 84 A 1 ATOM 674 C CD . GLU A 1 84 ? 7.393 -15.533 -11.685 1.00 57.24 84 A 1 ATOM 675 O OE1 . GLU A 1 84 ? 8.310 -14.684 -11.647 1.00 52.09 84 A 1 ATOM 676 O OE2 . GLU A 1 84 ? 7.447 -16.593 -12.350 1.00 51.84 84 A 1 ATOM 677 N N . ASP A 1 85 ? 2.647 -18.141 -10.030 1.00 73.64 85 A 1 ATOM 678 C CA . ASP A 1 85 ? 1.720 -19.240 -10.298 1.00 74.73 85 A 1 ATOM 679 C C . ASP A 1 85 ? 0.546 -19.300 -9.312 1.00 76.41 85 A 1 ATOM 680 O O . ASP A 1 85 ? -0.187 -20.288 -9.279 1.00 74.24 85 A 1 ATOM 681 C CB . ASP A 1 85 ? 2.496 -20.562 -10.350 1.00 70.15 85 A 1 ATOM 682 C CG . ASP A 1 85 ? 3.339 -20.721 -11.619 1.00 64.20 85 A 1 ATOM 683 O OD1 . ASP A 1 85 ? 2.857 -20.294 -12.697 1.00 59.61 85 A 1 ATOM 684 O OD2 . ASP A 1 85 ? 4.396 -21.377 -11.518 1.00 59.40 85 A 1 ATOM 685 N N . LEU A 1 86 ? 0.327 -18.270 -8.495 1.00 76.31 86 A 1 ATOM 686 C CA . LEU A 1 86 ? -0.811 -18.245 -7.579 1.00 77.86 86 A 1 ATOM 687 C C . LEU A 1 86 ? -2.102 -17.826 -8.290 1.00 77.22 86 A 1 ATOM 688 O O . LEU A 1 86 ? -2.202 -16.786 -8.934 1.00 77.06 86 A 1 ATOM 689 C CB . LEU A 1 86 ? -0.535 -17.370 -6.350 1.00 77.45 86 A 1 ATOM 690 C CG . LEU A 1 86 ? 0.582 -17.875 -5.423 1.00 74.82 86 A 1 ATOM 691 C CD1 . LEU A 1 86 ? 0.668 -16.945 -4.211 1.00 71.62 86 A 1 ATOM 692 C CD2 . LEU A 1 86 ? 0.339 -19.285 -4.890 1.00 72.82 86 A 1 ATOM 693 N N . ILE A 1 87 ? -3.150 -18.620 -8.091 1.00 75.50 87 A 1 ATOM 694 C CA . ILE A 1 87 ? -4.513 -18.319 -8.523 1.00 75.46 87 A 1 ATOM 695 C C . ILE A 1 87 ? -5.431 -18.152 -7.319 1.00 75.22 87 A 1 ATOM 696 O O . ILE A 1 87 ? -5.169 -18.659 -6.228 1.00 74.99 87 A 1 ATOM 697 C CB . ILE A 1 87 ? -5.041 -19.371 -9.521 1.00 75.31 87 A 1 ATOM 698 C CG1 . ILE A 1 87 ? -5.067 -20.796 -8.928 1.00 71.43 87 A 1 ATOM 699 C CG2 . ILE A 1 87 ? -4.212 -19.301 -10.818 1.00 71.29 87 A 1 ATOM 700 C CD1 . ILE A 1 87 ? -5.828 -21.806 -9.795 1.00 67.51 87 A 1 ATOM 701 N N . ARG A 1 88 ? -6.544 -17.443 -7.535 1.00 78.70 88 A 1 ATOM 702 C CA . ARG A 1 88 ? -7.598 -17.335 -6.521 1.00 77.46 88 A 1 ATOM 703 C C . ARG A 1 88 ? -8.146 -18.729 -6.213 1.00 75.86 88 A 1 ATOM 704 O O . ARG A 1 88 ? -8.482 -19.470 -7.131 1.00 73.74 88 A 1 ATOM 705 C CB . ARG A 1 88 ? -8.688 -16.380 -7.024 1.00 75.41 88 A 1 ATOM 706 C CG . ARG A 1 88 ? -9.656 -15.937 -5.921 1.00 69.60 88 A 1 ATOM 707 C CD . ARG A 1 88 ? -8.963 -14.994 -4.938 1.00 67.00 88 A 1 ATOM 708 N NE . ARG A 1 88 ? -9.899 -14.496 -3.919 1.00 61.21 88 A 1 ATOM 709 C CZ . ARG A 1 88 ? -9.806 -13.349 -3.277 1.00 56.34 88 A 1 ATOM 710 N NH1 . ARG A 1 88 ? -8.836 -12.514 -3.495 1.00 52.06 88 A 1 ATOM 711 N NH2 . ARG A 1 88 ? -10.702 -13.013 -2.402 1.00 48.99 88 A 1 ATOM 712 N N . SER A 1 89 ? -8.249 -19.081 -4.941 1.00 79.89 89 A 1 ATOM 713 C CA . SER A 1 89 ? -8.846 -20.343 -4.511 1.00 79.90 89 A 1 ATOM 714 C C . SER A 1 89 ? -10.370 -20.322 -4.664 1.00 79.30 89 A 1 ATOM 715 O O . SER A 1 89 ? -10.999 -19.259 -4.740 1.00 78.05 89 A 1 ATOM 716 C CB . SER A 1 89 ? -8.439 -20.658 -3.069 1.00 79.23 89 A 1 ATOM 717 O OG . SER A 1 89 ? -9.174 -19.865 -2.157 1.00 75.97 89 A 1 ATOM 718 N N . ASP A 1 90 ? -10.986 -21.507 -4.611 1.00 79.10 90 A 1 ATOM 719 C CA . ASP A 1 90 ? -12.448 -21.671 -4.585 1.00 79.15 90 A 1 ATOM 720 C C . ASP A 1 90 ? -13.074 -21.313 -3.225 1.00 79.10 90 A 1 ATOM 721 O O . ASP A 1 90 ? -14.268 -21.543 -2.986 1.00 76.98 90 A 1 ATOM 722 C CB . ASP A 1 90 ? -12.810 -23.108 -4.999 1.00 77.22 90 A 1 ATOM 723 C CG . ASP A 1 90 ? -12.484 -23.434 -6.460 1.00 72.11 90 A 1 ATOM 724 O OD1 . ASP A 1 90 ? -12.632 -22.524 -7.309 1.00 67.90 90 A 1 ATOM 725 O OD2 . ASP A 1 90 ? -12.157 -24.611 -6.716 1.00 67.26 90 A 1 ATOM 726 N N . TYR A 1 91 ? -12.296 -20.752 -2.297 1.00 73.52 91 A 1 ATOM 727 C CA . TYR A 1 91 ? -12.806 -20.345 -0.994 1.00 74.26 91 A 1 ATOM 728 C C . TYR A 1 91 ? -13.863 -19.242 -1.135 1.00 73.10 91 A 1 ATOM 729 O O . TYR A 1 91 ? -13.601 -18.120 -1.581 1.00 71.45 91 A 1 ATOM 730 C CB . TYR A 1 91 ? -11.668 -19.919 -0.061 1.00 74.97 91 A 1 ATOM 731 C CG . TYR A 1 91 ? -12.162 -19.599 1.340 1.00 75.30 91 A 1 ATOM 732 C CD1 . TYR A 1 91 ? -12.499 -18.280 1.690 1.00 70.38 91 A 1 ATOM 733 C CD2 . TYR A 1 91 ? -12.341 -20.636 2.273 1.00 72.02 91 A 1 ATOM 734 C CE1 . TYR A 1 91 ? -13.028 -17.996 2.964 1.00 67.42 91 A 1 ATOM 735 C CE2 . TYR A 1 91 ? -12.873 -20.357 3.550 1.00 68.80 91 A 1 ATOM 736 C CZ . TYR A 1 91 ? -13.224 -19.036 3.889 1.00 71.09 91 A 1 ATOM 737 O OH . TYR A 1 91 ? -13.770 -18.768 5.105 1.00 71.79 91 A 1 ATOM 738 N N . VAL A 1 92 ? -15.084 -19.567 -0.709 1.00 74.41 92 A 1 ATOM 739 C CA . VAL A 1 92 ? -16.210 -18.632 -0.721 1.00 74.02 92 A 1 ATOM 740 C C . VAL A 1 92 ? -16.121 -17.724 0.501 1.00 74.53 92 A 1 ATOM 741 O O . VAL A 1 92 ? -16.515 -18.107 1.607 1.00 71.61 92 A 1 ATOM 742 C CB . VAL A 1 92 ? -17.559 -19.366 -0.803 1.00 70.70 92 A 1 ATOM 743 C CG1 . VAL A 1 92 ? -18.720 -18.364 -0.885 1.00 64.39 92 A 1 ATOM 744 C CG2 . VAL A 1 92 ? -17.634 -20.270 -2.041 1.00 67.49 92 A 1 ATOM 745 N N . LEU A 1 93 ? -15.646 -16.499 0.279 1.00 74.13 93 A 1 ATOM 746 C CA . LEU A 1 93 ? -15.608 -15.447 1.292 1.00 72.84 93 A 1 ATOM 747 C C . LEU A 1 93 ? -17.016 -15.120 1.804 1.00 71.94 93 A 1 ATOM 748 O O . LEU A 1 93 ? -17.966 -14.929 1.039 1.00 69.78 93 A 1 ATOM 749 C CB . LEU A 1 93 ? -14.934 -14.194 0.718 1.00 70.75 93 A 1 ATOM 750 C CG . LEU A 1 93 ? -13.404 -14.294 0.619 1.00 66.79 93 A 1 ATOM 751 C CD1 . LEU A 1 93 ? -12.871 -13.169 -0.261 1.00 65.28 93 A 1 ATOM 752 C CD2 . LEU A 1 93 ? -12.750 -14.167 1.993 1.00 65.51 93 A 1 ATOM 753 N N . ARG A 1 94 ? -17.137 -15.007 3.122 1.00 75.24 94 A 1 ATOM 754 C CA . ARG A 1 94 ? -18.377 -14.677 3.827 1.00 74.52 94 A 1 ATOM 755 C C . ARG A 1 94 ? -18.287 -13.295 4.450 1.00 74.64 94 A 1 ATOM 756 O O . ARG A 1 94 ? -17.209 -12.782 4.741 1.00 72.17 94 A 1 ATOM 757 C CB . ARG A 1 94 ? -18.684 -15.751 4.879 1.00 72.77 94 A 1 ATOM 758 C CG . ARG A 1 94 ? -18.799 -17.140 4.239 1.00 68.69 94 A 1 ATOM 759 C CD . ARG A 1 94 ? -19.041 -18.205 5.306 1.00 66.37 94 A 1 ATOM 760 N NE . ARG A 1 94 ? -19.083 -19.542 4.693 1.00 60.37 94 A 1 ATOM 761 C CZ . ARG A 1 94 ? -19.355 -20.677 5.307 1.00 54.94 94 A 1 ATOM 762 N NH1 . ARG A 1 94 ? -19.621 -20.717 6.585 1.00 50.82 94 A 1 ATOM 763 N NH2 . ARG A 1 94 ? -19.360 -21.799 4.641 1.00 47.68 94 A 1 ATOM 764 N N . LYS A 1 95 ? -19.452 -12.691 4.693 1.00 74.22 95 A 1 ATOM 765 C CA . LYS A 1 95 ? -19.505 -11.430 5.428 1.00 73.86 95 A 1 ATOM 766 C C . LYS A 1 95 ? -18.847 -11.612 6.791 1.00 74.84 95 A 1 ATOM 767 O O . LYS A 1 95 ? -19.335 -12.400 7.600 1.00 71.11 95 A 1 ATOM 768 C CB . LYS A 1 95 ? -20.957 -10.950 5.564 1.00 70.86 95 A 1 ATOM 769 C CG . LYS A 1 95 ? -21.024 -9.586 6.262 1.00 64.82 95 A 1 ATOM 770 C CD . LYS A 1 95 ? -22.469 -9.093 6.403 1.00 62.85 95 A 1 ATOM 771 C CE . LYS A 1 95 ? -22.461 -7.743 7.129 1.00 56.37 95 A 1 ATOM 772 N NZ . LYS A 1 95 ? -23.835 -7.229 7.371 1.00 51.13 95 A 1 ATOM 773 N N . GLY A 1 96 ? -17.806 -10.830 7.041 1.00 72.33 96 A 1 ATOM 774 C CA . GLY A 1 96 ? -17.064 -10.836 8.289 1.00 71.70 96 A 1 ATOM 775 C C . GLY A 1 96 ? -15.866 -11.777 8.338 1.00 74.84 96 A 1 ATOM 776 O O . GLY A 1 96 ? -15.238 -11.861 9.385 1.00 71.43 96 A 1 ATOM 777 N N . ASP A 1 97 ? -15.517 -12.442 7.243 1.00 74.08 97 A 1 ATOM 778 C CA . ASP A 1 97 ? -14.189 -13.034 7.136 1.00 76.61 97 A 1 ATOM 779 C C . ASP A 1 97 ? -13.134 -11.924 7.199 1.00 77.52 97 A 1 ATOM 780 O O . ASP A 1 97 ? -13.301 -10.864 6.584 1.00 76.91 97 A 1 ATOM 781 C CB . ASP A 1 97 ? -14.048 -13.854 5.849 1.00 75.17 97 A 1 ATOM 782 C CG . ASP A 1 97 ? -14.874 -15.149 5.816 1.00 74.00 97 A 1 ATOM 783 O OD1 . ASP A 1 97 ? -15.374 -15.602 6.872 1.00 70.85 97 A 1 ATOM 784 O OD2 . ASP A 1 97 ? -15.010 -15.722 4.712 1.00 70.52 97 A 1 ATOM 785 N N . TYR A 1 98 ? -12.067 -12.159 7.961 1.00 78.28 98 A 1 ATOM 786 C CA . TYR A 1 98 ? -10.974 -11.211 8.137 1.00 78.32 98 A 1 ATOM 787 C C . TYR A 1 98 ? -9.608 -11.891 8.035 1.00 78.47 98 A 1 ATOM 788 O O . TYR A 1 98 ? -9.440 -13.065 8.360 1.00 77.92 98 A 1 ATOM 789 C CB . TYR A 1 98 ? -11.127 -10.442 9.456 1.00 76.65 98 A 1 ATOM 790 C CG . TYR A 1 98 ? -10.805 -11.249 10.698 1.00 74.50 98 A 1 ATOM 791 C CD1 . TYR A 1 98 ? -11.815 -11.984 11.353 1.00 70.24 98 A 1 ATOM 792 C CD2 . TYR A 1 98 ? -9.489 -11.277 11.203 1.00 70.56 98 A 1 ATOM 793 C CE1 . TYR A 1 98 ? -11.515 -12.732 12.505 1.00 64.20 98 A 1 ATOM 794 C CE2 . TYR A 1 98 ? -9.183 -12.029 12.355 1.00 65.80 98 A 1 ATOM 795 C CZ . TYR A 1 98 ? -10.198 -12.753 13.010 1.00 67.44 98 A 1 ATOM 796 O OH . TYR A 1 98 ? -9.905 -13.474 14.126 1.00 66.01 98 A 1 ATOM 797 N N . LEU A 1 99 ? -8.622 -11.117 7.596 1.00 79.45 99 A 1 ATOM 798 C CA . LEU A 1 99 ? -7.233 -11.515 7.433 1.00 80.12 99 A 1 ATOM 799 C C . LEU A 1 99 ? -6.372 -10.608 8.310 1.00 79.66 99 A 1 ATOM 800 O O . LEU A 1 99 ? -6.415 -9.392 8.132 1.00 79.60 99 A 1 ATOM 801 C CB . LEU A 1 99 ? -6.897 -11.388 5.942 1.00 79.90 99 A 1 ATOM 802 C CG . LEU A 1 99 ? -5.474 -11.800 5.549 1.00 76.31 99 A 1 ATOM 803 C CD1 . LEU A 1 99 ? -5.215 -13.280 5.807 1.00 71.08 99 A 1 ATOM 804 C CD2 . LEU A 1 99 ? -5.308 -11.541 4.051 1.00 72.17 99 A 1 ATOM 805 N N . LEU A 1 100 ? -5.624 -11.174 9.266 1.00 80.11 100 A 1 ATOM 806 C CA . LEU A 1 100 ? -4.715 -10.392 10.111 1.00 79.99 100 A 1 ATOM 807 C C . LEU A 1 100 ? -3.491 -9.970 9.302 1.00 80.06 100 A 1 ATOM 808 O O . LEU A 1 100 ? -2.846 -10.801 8.669 1.00 80.83 100 A 1 ATOM 809 C CB . LEU A 1 100 ? -4.290 -11.188 11.352 1.00 77.69 100 A 1 ATOM 810 C CG . LEU A 1 100 ? -5.385 -11.382 12.411 1.00 70.49 100 A 1 ATOM 811 C CD1 . LEU A 1 100 ? -4.849 -12.247 13.555 1.00 66.04 100 A 1 ATOM 812 C CD2 . LEU A 1 100 ? -5.844 -10.063 13.026 1.00 66.92 100 A 1 ATOM 813 N N . LEU A 1 101 ? -3.162 -8.692 9.331 1.00 79.33 101 A 1 ATOM 814 C CA . LEU A 1 101 ? -2.023 -8.160 8.584 1.00 78.51 101 A 1 ATOM 815 C C . LEU A 1 101 ? -0.680 -8.528 9.228 1.00 78.44 101 A 1 ATOM 816 O O . LEU A 1 101 ? 0.320 -8.596 8.527 1.00 77.77 101 A 1 ATOM 817 C CB . LEU A 1 101 ? -2.165 -6.640 8.418 1.00 76.31 101 A 1 ATOM 818 C CG . LEU A 1 101 ? -3.403 -6.178 7.629 1.00 72.61 101 A 1 ATOM 819 C CD1 . LEU A 1 101 ? -3.333 -4.663 7.452 1.00 69.22 101 A 1 ATOM 820 C CD2 . LEU A 1 101 ? -3.502 -6.809 6.240 1.00 69.30 101 A 1 ATOM 821 N N . GLU A 1 102 ? -0.661 -8.794 10.536 1.00 79.99 102 A 1 ATOM 822 C CA . GLU A 1 102 ? 0.531 -9.265 11.254 1.00 80.35 102 A 1 ATOM 823 C C . GLU A 1 102 ? 0.968 -10.676 10.842 1.00 81.32 102 A 1 ATOM 824 O O . GLU A 1 102 ? 2.145 -10.990 10.907 1.00 79.77 102 A 1 ATOM 825 C CB . GLU A 1 102 ? 0.300 -9.178 12.774 1.00 78.21 102 A 1 ATOM 826 C CG . GLU A 1 102 ? -0.788 -10.144 13.284 1.00 71.46 102 A 1 ATOM 827 C CD . GLU A 1 102 ? -1.071 -10.046 14.795 1.00 68.03 102 A 1 ATOM 828 O OE1 . GLU A 1 102 ? -1.961 -10.813 15.250 1.00 59.82 102 A 1 ATOM 829 O OE2 . GLU A 1 102 ? -0.420 -9.235 15.486 1.00 60.93 102 A 1 ATOM 830 N N . ASP A 1 103 ? 0.042 -11.514 10.360 1.00 82.06 103 A 1 ATOM 831 C CA . ASP A 1 103 ? 0.347 -12.870 9.889 1.00 82.28 103 A 1 ATOM 832 C C . ASP A 1 103 ? 0.957 -12.886 8.477 1.00 83.28 103 A 1 ATOM 833 O O . ASP A 1 103 ? 1.355 -13.947 7.991 1.00 81.92 103 A 1 ATOM 834 C CB . ASP A 1 103 ? -0.925 -13.719 9.852 1.00 80.64 103 A 1 ATOM 835 C CG . ASP A 1 103 ? -1.624 -14.001 11.174 1.00 77.40 103 A 1 ATOM 836 O OD1 . ASP A 1 103 ? -1.031 -14.127 12.258 1.00 73.33 103 A 1 ATOM 837 O OD2 . ASP A 1 103 ? -2.844 -14.254 11.091 1.00 73.24 103 A 1 ATOM 838 N N . LEU A 1 104 ? 0.959 -11.750 7.777 1.00 80.64 104 A 1 ATOM 839 C CA . LEU A 1 104 ? 1.398 -11.648 6.391 1.00 80.13 104 A 1 ATOM 840 C C . LEU A 1 104 ? 2.848 -11.173 6.300 1.00 79.20 104 A 1 ATOM 841 O O . LEU A 1 104 ? 3.220 -10.183 6.936 1.00 77.45 104 A 1 ATOM 842 C CB . LEU A 1 104 ? 0.488 -10.698 5.606 1.00 80.46 104 A 1 ATOM 843 C CG . LEU A 1 104 ? -0.994 -11.091 5.544 1.00 80.13 104 A 1 ATOM 844 C CD1 . LEU A 1 104 ? -1.739 -10.020 4.744 1.00 75.48 104 A 1 ATOM 845 C CD2 . LEU A 1 104 ? -1.210 -12.450 4.886 1.00 76.37 104 A 1 ATOM 846 N N . SER A 1 105 ? 3.634 -11.813 5.415 1.00 80.43 105 A 1 ATOM 847 C CA . SER A 1 105 ? 4.921 -11.266 4.981 1.00 78.72 105 A 1 ATOM 848 C C . SER A 1 105 ? 4.725 -9.982 4.164 1.00 78.85 105 A 1 ATOM 849 O O . SER A 1 105 ? 3.622 -9.683 3.692 1.00 78.31 105 A 1 ATOM 850 C CB . SER A 1 105 ? 5.742 -12.321 4.225 1.00 77.01 105 A 1 ATOM 851 O OG . SER A 1 105 ? 5.445 -12.346 2.844 1.00 73.49 105 A 1 ATOM 852 N N . LEU A 1 106 ? 5.798 -9.209 3.988 1.00 73.56 106 A 1 ATOM 853 C CA . LEU A 1 106 ? 5.763 -7.999 3.161 1.00 72.11 106 A 1 ATOM 854 C C . LEU A 1 106 ? 5.356 -8.332 1.718 1.00 73.59 106 A 1 ATOM 855 O O . LEU A 1 106 ? 4.508 -7.657 1.142 1.00 71.78 106 A 1 ATOM 856 C CB . LEU A 1 106 ? 7.141 -7.316 3.231 1.00 69.09 106 A 1 ATOM 857 C CG . LEU A 1 106 ? 7.248 -6.021 2.405 1.00 62.24 106 A 1 ATOM 858 C CD1 . LEU A 1 106 ? 6.269 -4.945 2.889 1.00 58.14 106 A 1 ATOM 859 C CD2 . LEU A 1 106 ? 8.668 -5.463 2.515 1.00 57.29 106 A 1 ATOM 860 N N . GLU A 1 107 ? 5.883 -9.423 1.179 1.00 70.19 107 A 1 ATOM 861 C CA . GLU A 1 107 ? 5.619 -9.904 -0.177 1.00 70.56 107 A 1 ATOM 862 C C . GLU A 1 107 ? 4.143 -10.289 -0.345 1.00 73.44 107 A 1 ATOM 863 O O . GLU A 1 107 ? 3.497 -9.913 -1.324 1.00 72.21 107 A 1 ATOM 864 C CB . GLU A 1 107 ? 6.509 -11.120 -0.502 1.00 68.09 107 A 1 ATOM 865 C CG . GLU A 1 107 ? 8.027 -10.919 -0.285 1.00 61.75 107 A 1 ATOM 866 C CD . GLU A 1 107 ? 8.465 -10.943 1.191 1.00 56.54 107 A 1 ATOM 867 O OE1 . GLU A 1 107 ? 9.584 -10.473 1.478 1.00 52.33 107 A 1 ATOM 868 O OE2 . GLU A 1 107 ? 7.646 -11.347 2.057 1.00 51.76 107 A 1 ATOM 869 N N . GLN A 1 108 ? 3.550 -10.966 0.656 1.00 77.81 108 A 1 ATOM 870 C CA . GLN A 1 108 ? 2.126 -11.293 0.666 1.00 79.74 108 A 1 ATOM 871 C C . GLN A 1 108 ? 1.247 -10.037 0.715 1.00 79.74 108 A 1 ATOM 872 O O . GLN A 1 108 ? 0.226 -9.979 0.026 1.00 79.17 108 A 1 ATOM 873 C CB . GLN A 1 108 ? 1.803 -12.199 1.862 1.00 80.92 108 A 1 ATOM 874 C CG . GLN A 1 108 ? 2.346 -13.621 1.681 1.00 82.57 108 A 1 ATOM 875 C CD . GLN A 1 108 ? 2.076 -14.496 2.902 1.00 82.68 108 A 1 ATOM 876 O OE1 . GLN A 1 108 ? 1.941 -14.046 4.030 1.00 77.95 108 A 1 ATOM 877 N NE2 . GLN A 1 108 ? 1.969 -15.790 2.722 1.00 75.08 108 A 1 ATOM 878 N N . LYS A 1 109 ? 1.637 -9.012 1.491 1.00 76.04 109 A 1 ATOM 879 C CA . LYS A 1 109 ? 0.921 -7.727 1.531 1.00 74.80 109 A 1 ATOM 880 C C . LYS A 1 109 ? 0.950 -7.023 0.176 1.00 74.19 109 A 1 ATOM 881 O O . LYS A 1 109 ? -0.096 -6.576 -0.295 1.00 74.54 109 A 1 ATOM 882 C CB . LYS A 1 109 ? 1.511 -6.813 2.616 1.00 75.00 109 A 1 ATOM 883 C CG . LYS A 1 109 ? 1.223 -7.308 4.039 1.00 75.18 109 A 1 ATOM 884 C CD . LYS A 1 109 ? 1.912 -6.400 5.068 1.00 74.67 109 A 1 ATOM 885 C CE . LYS A 1 109 ? 1.680 -6.946 6.475 1.00 71.33 109 A 1 ATOM 886 N NZ . LYS A 1 109 ? 2.291 -6.094 7.524 1.00 65.93 109 A 1 ATOM 887 N N . VAL A 1 110 ? 2.115 -6.976 -0.476 1.00 73.99 110 A 1 ATOM 888 C CA . VAL A 1 110 ? 2.269 -6.393 -1.819 1.00 71.38 110 A 1 ATOM 889 C C . VAL A 1 110 ? 1.447 -7.171 -2.850 1.00 72.38 110 A 1 ATOM 890 O O . VAL A 1 110 ? 0.702 -6.578 -3.633 1.00 70.03 110 A 1 ATOM 891 C CB . VAL A 1 110 ? 3.758 -6.336 -2.224 1.00 68.22 110 A 1 ATOM 892 C CG1 . VAL A 1 110 ? 3.925 -5.851 -3.670 1.00 62.01 110 A 1 ATOM 893 C CG2 . VAL A 1 110 ? 4.538 -5.363 -1.329 1.00 62.03 110 A 1 ATOM 894 N N . PHE A 1 111 ? 1.496 -8.504 -2.819 1.00 74.74 111 A 1 ATOM 895 C CA . PHE A 1 111 ? 0.701 -9.347 -3.712 1.00 75.02 111 A 1 ATOM 896 C C . PHE A 1 111 ? -0.809 -9.119 -3.539 1.00 74.19 111 A 1 ATOM 897 O O . PHE A 1 111 ? -1.541 -8.997 -4.526 1.00 73.63 111 A 1 ATOM 898 C CB . PHE A 1 111 ? 1.073 -10.812 -3.476 1.00 76.60 111 A 1 ATOM 899 C CG . PHE A 1 111 ? 0.323 -11.756 -4.392 1.00 75.72 111 A 1 ATOM 900 C CD1 . PHE A 1 111 ? -0.881 -12.347 -3.969 1.00 71.43 111 A 1 ATOM 901 C CD2 . PHE A 1 111 ? 0.818 -12.020 -5.683 1.00 71.24 111 A 1 ATOM 902 C CE1 . PHE A 1 111 ? -1.583 -13.205 -4.832 1.00 68.66 111 A 1 ATOM 903 C CE2 . PHE A 1 111 ? 0.114 -12.878 -6.542 1.00 68.96 111 A 1 ATOM 904 C CZ . PHE A 1 111 ? -1.087 -13.473 -6.117 1.00 72.81 111 A 1 ATOM 905 N N . LEU A 1 112 ? -1.301 -9.018 -2.294 1.00 78.97 112 A 1 ATOM 906 C CA . LEU A 1 112 ? -2.705 -8.707 -2.006 1.00 77.91 112 A 1 ATOM 907 C C . LEU A 1 112 ? -3.105 -7.322 -2.515 1.00 75.75 112 A 1 ATOM 908 O O . LEU A 1 112 ? -4.179 -7.190 -3.109 1.00 74.16 112 A 1 ATOM 909 C CB . LEU A 1 112 ? -2.962 -8.804 -0.494 1.00 79.11 112 A 1 ATOM 910 C CG . LEU A 1 112 ? -3.039 -10.239 0.048 1.00 77.40 112 A 1 ATOM 911 C CD1 . LEU A 1 112 ? -3.082 -10.186 1.570 1.00 74.68 112 A 1 ATOM 912 C CD2 . LEU A 1 112 ? -4.293 -10.970 -0.421 1.00 74.12 112 A 1 ATOM 913 N N . GLN A 1 113 ? -2.259 -6.315 -2.327 1.00 75.25 113 A 1 ATOM 914 C CA . GLN A 1 113 ? -2.493 -4.951 -2.807 1.00 72.35 113 A 1 ATOM 915 C C . GLN A 1 113 ? -2.752 -4.931 -4.320 1.00 71.19 113 A 1 ATOM 916 O O . GLN A 1 113 ? -3.696 -4.287 -4.778 1.00 67.43 113 A 1 ATOM 917 C CB . GLN A 1 113 ? -1.274 -4.080 -2.441 1.00 70.96 113 A 1 ATOM 918 C CG . GLN A 1 113 ? -1.483 -2.588 -2.737 1.00 66.53 113 A 1 ATOM 919 C CD . GLN A 1 113 ? -2.542 -1.941 -1.847 1.00 64.60 113 A 1 ATOM 920 O OE1 . GLN A 1 113 ? -2.767 -2.328 -0.713 1.00 60.05 113 A 1 ATOM 921 N NE2 . GLN A 1 113 ? -3.233 -0.926 -2.315 1.00 56.99 113 A 1 ATOM 922 N N . ASN A 1 114 ? -1.970 -5.708 -5.074 1.00 73.12 114 A 1 ATOM 923 C CA . ASN A 1 114 ? -2.059 -5.790 -6.532 1.00 70.55 114 A 1 ATOM 924 C C . ASN A 1 114 ? -3.207 -6.699 -7.013 1.00 70.52 114 A 1 ATOM 925 O O . ASN A 1 114 ? -3.845 -6.430 -8.029 1.00 67.73 114 A 1 ATOM 926 C CB . ASN A 1 114 ? -0.687 -6.254 -7.052 1.00 68.53 114 A 1 ATOM 927 C CG . ASN A 1 114 ? 0.416 -5.236 -6.785 1.00 63.72 114 A 1 ATOM 928 O OD1 . ASN A 1 114 ? 0.175 -4.060 -6.569 1.00 59.43 114 A 1 ATOM 929 N ND2 . ASN A 1 114 ? 1.659 -5.648 -6.795 1.00 57.40 114 A 1 ATOM 930 N N . SER A 1 115 ? -3.517 -7.770 -6.276 1.00 74.75 115 A 1 ATOM 931 C CA . SER A 1 115 ? -4.478 -8.797 -6.707 1.00 73.85 115 A 1 ATOM 932 C C . SER A 1 115 ? -5.943 -8.471 -6.398 1.00 72.47 115 A 1 ATOM 933 O O . SER A 1 115 ? -6.846 -8.937 -7.096 1.00 70.52 115 A 1 ATOM 934 C CB . SER A 1 115 ? -4.136 -10.138 -6.057 1.00 73.76 115 A 1 ATOM 935 O OG . SER A 1 115 ? -2.849 -10.548 -6.438 1.00 67.96 115 A 1 ATOM 936 N N . LEU A 1 116 ? -6.211 -7.711 -5.343 1.00 73.24 116 A 1 ATOM 937 C CA . LEU A 1 116 ? -7.575 -7.542 -4.821 1.00 69.96 116 A 1 ATOM 938 C C . LEU A 1 116 ? -8.386 -6.426 -5.489 1.00 67.24 116 A 1 ATOM 939 O O . LEU A 1 116 ? -9.520 -6.217 -5.068 1.00 63.44 116 A 1 ATOM 940 C CB . LEU A 1 116 ? -7.551 -7.439 -3.286 1.00 69.26 116 A 1 ATOM 941 C CG . LEU A 1 116 ? -7.227 -8.762 -2.571 1.00 67.19 116 A 1 ATOM 942 C CD1 . LEU A 1 116 ? -7.193 -8.529 -1.063 1.00 65.48 116 A 1 ATOM 943 C CD2 . LEU A 1 116 ? -8.274 -9.852 -2.831 1.00 64.36 116 A 1 ATOM 944 N N . LYS A 1 117 ? -7.837 -5.753 -6.532 1.00 60.07 117 A 1 ATOM 945 C CA . LYS A 1 117 ? -8.477 -4.608 -7.221 1.00 58.15 117 A 1 ATOM 946 C C . LYS A 1 117 ? -9.176 -3.682 -6.222 1.00 57.39 117 A 1 ATOM 947 O O . LYS A 1 117 ? -10.390 -3.467 -6.288 1.00 53.50 117 A 1 ATOM 948 C CB . LYS A 1 117 ? -9.453 -5.070 -8.319 1.00 54.41 117 A 1 ATOM 949 C CG . LYS A 1 117 ? -8.760 -5.679 -9.534 1.00 49.29 117 A 1 ATOM 950 C CD . LYS A 1 117 ? -9.793 -5.930 -10.642 1.00 47.11 117 A 1 ATOM 951 C CE . LYS A 1 117 ? -9.089 -6.477 -11.881 1.00 42.24 117 A 1 ATOM 952 N NZ . LYS A 1 117 ? -10.025 -6.654 -13.012 1.00 38.71 117 A 1 ATOM 953 N N . THR A 1 118 ? -8.412 -3.199 -5.257 1.00 56.21 118 A 1 ATOM 954 C CA . THR A 1 118 ? -8.963 -2.395 -4.172 1.00 54.41 118 A 1 ATOM 955 C C . THR A 1 118 ? -9.544 -1.110 -4.752 1.00 53.35 118 A 1 ATOM 956 O O . THR A 1 118 ? -8.821 -0.239 -5.216 1.00 50.19 118 A 1 ATOM 957 C CB . THR A 1 118 ? -7.907 -2.100 -3.095 1.00 51.23 118 A 1 ATOM 958 O OG1 . THR A 1 118 ? -6.757 -1.542 -3.671 1.00 47.24 118 A 1 ATOM 959 C CG2 . THR A 1 118 ? -7.476 -3.370 -2.365 1.00 46.75 118 A 1 ATOM 960 N N . THR A 1 119 ? -10.873 -0.973 -4.725 1.00 49.64 119 A 1 ATOM 961 C CA . THR A 1 119 ? -11.564 0.291 -5.033 1.00 48.85 119 A 1 ATOM 962 C C . THR A 1 119 ? -11.413 1.320 -3.909 1.00 49.51 119 A 1 ATOM 963 O O . THR A 1 119 ? -12.107 2.330 -3.893 1.00 46.45 119 A 1 ATOM 964 C CB . THR A 1 119 ? -13.057 0.039 -5.306 1.00 44.14 119 A 1 ATOM 965 O OG1 . THR A 1 119 ? -13.635 -0.692 -4.250 1.00 40.43 119 A 1 ATOM 966 C CG2 . THR A 1 119 ? -13.281 -0.756 -6.594 1.00 39.92 119 A 1 ATOM 967 N N . THR A 1 120 ? -10.571 1.016 -2.929 1.00 51.86 120 A 1 ATOM 968 C CA . THR A 1 120 ? -10.408 1.754 -1.681 1.00 51.75 120 A 1 ATOM 969 C C . THR A 1 120 ? -9.026 2.397 -1.632 1.00 52.98 120 A 1 ATOM 970 O O . THR A 1 120 ? -8.044 1.792 -2.050 1.00 50.14 120 A 1 ATOM 971 C CB . THR A 1 120 ? -10.608 0.819 -0.478 1.00 47.46 120 A 1 ATOM 972 O OG1 . THR A 1 120 ? -9.811 -0.337 -0.597 1.00 43.47 120 A 1 ATOM 973 C CG2 . THR A 1 120 ? -12.057 0.340 -0.363 1.00 42.02 120 A 1 ATOM 974 N N . GLU A 1 121 ? -8.965 3.590 -1.050 1.00 51.42 121 A 1 ATOM 975 C CA . GLU A 1 121 ? -7.758 4.406 -0.840 1.00 51.60 121 A 1 ATOM 976 C C . GLU A 1 121 ? -6.746 3.780 0.156 1.00 53.00 121 A 1 ATOM 977 O O . GLU A 1 121 ? -5.788 4.428 0.560 1.00 50.08 121 A 1 ATOM 978 C CB . GLU A 1 121 ? -8.206 5.799 -0.336 1.00 47.99 121 A 1 ATOM 979 C CG . GLU A 1 121 ? -9.128 6.549 -1.320 1.00 42.34 121 A 1 ATOM 980 C CD . GLU A 1 121 ? -9.624 7.911 -0.792 1.00 38.93 121 A 1 ATOM 981 O OE1 . GLU A 1 121 ? -10.063 8.727 -1.640 1.00 35.15 121 A 1 ATOM 982 O OE2 . GLU A 1 121 ? -9.623 8.124 0.442 1.00 36.21 121 A 1 ATOM 983 N N . PHE A 1 122 ? -6.962 2.539 0.581 1.00 57.93 122 A 1 ATOM 984 C CA . PHE A 1 122 ? -6.192 1.860 1.616 1.00 58.16 122 A 1 ATOM 985 C C . PHE A 1 122 ? -5.066 1.018 1.022 1.00 60.15 122 A 1 ATOM 986 O O . PHE A 1 122 ? -5.271 0.282 0.057 1.00 57.59 122 A 1 ATOM 987 C CB . PHE A 1 122 ? -7.128 0.986 2.458 1.00 54.15 122 A 1 ATOM 988 C CG . PHE A 1 122 ? -8.289 1.731 3.088 1.00 51.22 122 A 1 ATOM 989 C CD1 . PHE A 1 122 ? -8.049 2.715 4.062 1.00 47.90 122 A 1 ATOM 990 C CD2 . PHE A 1 122 ? -9.613 1.458 2.687 1.00 47.20 122 A 1 ATOM 991 C CE1 . PHE A 1 122 ? -9.124 3.430 4.627 1.00 43.02 122 A 1 ATOM 992 C CE2 . PHE A 1 122 ? -10.686 2.169 3.256 1.00 43.15 122 A 1 ATOM 993 C CZ . PHE A 1 122 ? -10.442 3.158 4.226 1.00 42.16 122 A 1 ATOM 994 N N . THR A 1 123 ? -3.896 1.064 1.662 1.00 62.37 123 A 1 ATOM 995 C CA . THR A 1 123 ? -2.759 0.203 1.338 1.00 63.79 123 A 1 ATOM 996 C C . THR A 1 123 ? -2.532 -0.832 2.439 1.00 66.45 123 A 1 ATOM 997 O O . THR A 1 123 ? -2.537 -0.515 3.625 1.00 64.31 123 A 1 ATOM 998 C CB . THR A 1 123 ? -1.490 1.017 1.039 1.00 58.89 123 A 1 ATOM 999 O OG1 . THR A 1 123 ? -0.415 0.136 0.807 1.00 52.83 123 A 1 ATOM 1000 C CG2 . THR A 1 123 ? -1.051 1.960 2.145 1.00 51.62 123 A 1 ATOM 1001 N N . PHE A 1 124 ? -2.281 -2.088 2.049 1.00 64.95 124 A 1 ATOM 1002 C CA . PHE A 1 124 ? -1.887 -3.154 2.981 1.00 66.22 124 A 1 ATOM 1003 C C . PHE A 1 124 ? -0.517 -2.910 3.636 1.00 65.01 124 A 1 ATOM 1004 O O . PHE A 1 124 ? -0.159 -3.630 4.565 1.00 63.40 124 A 1 ATOM 1005 C CB . PHE A 1 124 ? -1.886 -4.500 2.243 1.00 65.93 124 A 1 ATOM 1006 C CG . PHE A 1 124 ? -3.266 -5.032 1.904 1.00 65.56 124 A 1 ATOM 1007 C CD1 . PHE A 1 124 ? -3.919 -5.895 2.802 1.00 61.89 124 A 1 ATOM 1008 C CD2 . PHE A 1 124 ? -3.896 -4.675 0.701 1.00 63.37 124 A 1 ATOM 1009 C CE1 . PHE A 1 124 ? -5.195 -6.399 2.498 1.00 60.13 124 A 1 ATOM 1010 C CE2 . PHE A 1 124 ? -5.176 -5.173 0.400 1.00 60.40 124 A 1 ATOM 1011 C CZ . PHE A 1 124 ? -5.824 -6.039 1.297 1.00 62.89 124 A 1 ATOM 1012 N N . LEU A 1 125 ? 0.240 -1.932 3.140 1.00 68.50 125 A 1 ATOM 1013 C CA . LEU A 1 125 ? 1.582 -1.589 3.619 1.00 66.31 125 A 1 ATOM 1014 C C . LEU A 1 125 ? 1.569 -0.584 4.781 1.00 64.92 125 A 1 ATOM 1015 O O . LEU A 1 125 ? 2.615 -0.351 5.375 1.00 60.95 125 A 1 ATOM 1016 C CB . LEU A 1 125 ? 2.421 -1.063 2.439 1.00 62.69 125 A 1 ATOM 1017 C CG . LEU A 1 125 ? 2.515 -2.012 1.230 1.00 58.07 125 A 1 ATOM 1018 C CD1 . LEU A 1 125 ? 3.318 -1.349 0.115 1.00 54.94 125 A 1 ATOM 1019 C CD2 . LEU A 1 125 ? 3.175 -3.341 1.590 1.00 55.09 125 A 1 ATOM 1020 N N . GLU A 1 126 ? 0.418 0.002 5.111 1.00 63.93 126 A 1 ATOM 1021 C CA . GLU A 1 126 ? 0.296 0.884 6.279 1.00 63.52 126 A 1 ATOM 1022 C C . GLU A 1 126 ? 0.370 0.066 7.577 1.00 64.23 126 A 1 ATOM 1023 O O . GLU A 1 126 ? -0.434 -0.838 7.812 1.00 60.77 126 A 1 ATOM 1024 C CB . GLU A 1 126 ? -0.994 1.716 6.199 1.00 59.38 126 A 1 ATOM 1025 C CG . GLU A 1 126 ? -0.856 2.891 5.214 1.00 53.14 126 A 1 ATOM 1026 C CD . GLU A 1 126 ? -2.159 3.660 4.947 1.00 50.03 126 A 1 ATOM 1027 O OE1 . GLU A 1 126 ? -2.180 4.431 3.954 1.00 47.54 126 A 1 ATOM 1028 O OE2 . GLU A 1 126 ? -3.149 3.471 5.685 1.00 47.21 126 A 1 ATOM 1029 N N . GLU A 1 127 ? 1.347 0.392 8.438 1.00 59.20 127 A 1 ATOM 1030 C CA . GLU A 1 127 ? 1.605 -0.322 9.699 1.00 60.49 127 A 1 ATOM 1031 C C . GLU A 1 127 ? 0.496 -0.127 10.743 1.00 62.51 127 A 1 ATOM 1032 O O . GLU A 1 127 ? 0.392 -0.893 11.695 1.00 57.94 127 A 1 ATOM 1033 C CB . GLU A 1 127 ? 2.958 0.118 10.283 1.00 55.88 127 A 1 ATOM 1034 C CG . GLU A 1 127 ? 4.153 -0.259 9.386 1.00 48.81 127 A 1 ATOM 1035 C CD . GLU A 1 127 ? 5.526 0.023 10.028 1.00 45.23 127 A 1 ATOM 1036 O OE1 . GLU A 1 127 ? 6.531 -0.487 9.477 1.00 41.72 127 A 1 ATOM 1037 O OE2 . GLU A 1 127 ? 5.580 0.728 11.061 1.00 42.02 127 A 1 ATOM 1038 N N . ASP A 1 128 ? -0.351 0.876 10.546 1.00 66.64 128 A 1 ATOM 1039 C CA . ASP A 1 128 ? -1.367 1.285 11.508 1.00 67.20 128 A 1 ATOM 1040 C C . ASP A 1 128 ? -2.599 0.352 11.518 1.00 69.60 128 A 1 ATOM 1041 O O . ASP A 1 128 ? -3.350 0.330 12.495 1.00 66.54 128 A 1 ATOM 1042 C CB . ASP A 1 128 ? -1.749 2.738 11.196 1.00 62.50 128 A 1 ATOM 1043 C CG . ASP A 1 128 ? -0.706 3.796 11.585 1.00 56.37 128 A 1 ATOM 1044 O OD1 . ASP A 1 128 ? 0.095 3.548 12.511 1.00 52.74 128 A 1 ATOM 1045 O OD2 . ASP A 1 128 ? -0.791 4.915 11.025 1.00 51.99 128 A 1 ATOM 1046 N N . TYR A 1 129 ? -2.832 -0.438 10.461 1.00 71.83 129 A 1 ATOM 1047 C CA . TYR A 1 129 ? -3.999 -1.321 10.368 1.00 72.99 129 A 1 ATOM 1048 C C . TYR A 1 129 ? -3.702 -2.738 10.855 1.00 74.29 129 A 1 ATOM 1049 O O . TYR A 1 129 ? -2.679 -3.334 10.535 1.00 71.40 129 A 1 ATOM 1050 C CB . TYR A 1 129 ? -4.545 -1.350 8.941 1.00 70.31 129 A 1 ATOM 1051 C CG . TYR A 1 129 ? -5.049 -0.018 8.428 1.00 67.62 129 A 1 ATOM 1052 C CD1 . TYR A 1 129 ? -6.277 0.508 8.877 1.00 63.90 129 A 1 ATOM 1053 C CD2 . TYR A 1 129 ? -4.279 0.698 7.499 1.00 63.12 129 A 1 ATOM 1054 C CE1 . TYR A 1 129 ? -6.725 1.763 8.409 1.00 59.29 129 A 1 ATOM 1055 C CE2 . TYR A 1 129 ? -4.721 1.950 7.034 1.00 59.16 129 A 1 ATOM 1056 C CZ . TYR A 1 129 ? -5.939 2.489 7.492 1.00 58.69 129 A 1 ATOM 1057 O OH . TYR A 1 129 ? -6.333 3.712 7.059 1.00 58.72 129 A 1 ATOM 1058 N N . ASN A 1 130 ? -4.663 -3.342 11.569 1.00 75.90 130 A 1 ATOM 1059 C CA . ASN A 1 130 ? -4.528 -4.683 12.132 1.00 77.14 130 A 1 ATOM 1060 C C . ASN A 1 130 ? -5.056 -5.774 11.195 1.00 78.40 130 A 1 ATOM 1061 O O . ASN A 1 130 ? -4.481 -6.860 11.129 1.00 76.98 130 A 1 ATOM 1062 C CB . ASN A 1 130 ? -5.249 -4.732 13.482 1.00 73.54 130 A 1 ATOM 1063 C CG . ASN A 1 130 ? -4.630 -3.800 14.498 1.00 67.09 130 A 1 ATOM 1064 O OD1 . ASN A 1 130 ? -4.941 -2.627 14.548 1.00 61.35 130 A 1 ATOM 1065 N ND2 . ASN A 1 130 ? -3.752 -4.280 15.337 1.00 60.71 130 A 1 ATOM 1066 N N . TYR A 1 131 ? -6.158 -5.528 10.482 1.00 76.05 131 A 1 ATOM 1067 C CA . TYR A 1 131 ? -6.800 -6.553 9.662 1.00 76.88 131 A 1 ATOM 1068 C C . TYR A 1 131 ? -7.521 -5.997 8.431 1.00 76.40 131 A 1 ATOM 1069 O O . TYR A 1 131 ? -8.041 -4.882 8.430 1.00 75.68 131 A 1 ATOM 1070 C CB . TYR A 1 131 ? -7.748 -7.400 10.522 1.00 74.34 131 A 1 ATOM 1071 C CG . TYR A 1 131 ? -8.921 -6.651 11.125 1.00 69.71 131 A 1 ATOM 1072 C CD1 . TYR A 1 131 ? -8.769 -5.968 12.349 1.00 65.13 131 A 1 ATOM 1073 C CD2 . TYR A 1 131 ? -10.167 -6.646 10.474 1.00 64.13 131 A 1 ATOM 1074 C CE1 . TYR A 1 131 ? -9.857 -5.286 12.921 1.00 57.47 131 A 1 ATOM 1075 C CE2 . TYR A 1 131 ? -11.261 -5.964 11.043 1.00 58.51 131 A 1 ATOM 1076 C CZ . TYR A 1 131 ? -11.106 -5.286 12.268 1.00 57.42 131 A 1 ATOM 1077 O OH . TYR A 1 131 ? -12.163 -4.633 12.819 1.00 58.30 131 A 1 ATOM 1078 N N . ALA A 1 132 ? -7.589 -6.838 7.393 1.00 78.56 132 A 1 ATOM 1079 C CA . ALA A 1 132 ? -8.428 -6.650 6.216 1.00 77.91 132 A 1 ATOM 1080 C C . ALA A 1 132 ? -9.752 -7.403 6.383 1.00 77.15 132 A 1 ATOM 1081 O O . ALA A 1 132 ? -9.769 -8.510 6.921 1.00 76.51 132 A 1 ATOM 1082 C CB . ALA A 1 132 ? -7.666 -7.137 4.982 1.00 76.68 132 A 1 ATOM 1083 N N . TYR A 1 133 ? -10.867 -6.852 5.898 1.00 76.00 133 A 1 ATOM 1084 C CA . TYR A 1 133 ? -12.185 -7.486 5.980 1.00 74.17 133 A 1 ATOM 1085 C C . TYR A 1 133 ? -12.942 -7.487 4.646 1.00 73.04 133 A 1 ATOM 1086 O O . TYR A 1 133 ? -12.749 -6.632 3.777 1.00 71.76 133 A 1 ATOM 1087 C CB . TYR A 1 133 ? -13.011 -6.875 7.124 1.00 71.69 133 A 1 ATOM 1088 C CG . TYR A 1 133 ? -13.440 -5.440 6.900 1.00 64.91 133 A 1 ATOM 1089 C CD1 . TYR A 1 133 ? -12.526 -4.386 7.100 1.00 60.37 133 A 1 ATOM 1090 C CD2 . TYR A 1 133 ? -14.757 -5.151 6.493 1.00 58.63 133 A 1 ATOM 1091 C CE1 . TYR A 1 133 ? -12.922 -3.052 6.894 1.00 51.32 133 A 1 ATOM 1092 C CE2 . TYR A 1 133 ? -15.158 -3.816 6.285 1.00 52.19 133 A 1 ATOM 1093 C CZ . TYR A 1 133 ? -14.239 -2.767 6.483 1.00 49.14 133 A 1 ATOM 1094 O OH . TYR A 1 133 ? -14.621 -1.478 6.272 1.00 49.08 133 A 1 ATOM 1095 N N . PHE A 1 134 ? -13.847 -8.465 4.499 1.00 73.45 134 A 1 ATOM 1096 C CA . PHE A 1 134 ? -14.538 -8.775 3.251 1.00 72.57 134 A 1 ATOM 1097 C C . PHE A 1 134 ? -16.061 -8.710 3.406 1.00 70.29 134 A 1 ATOM 1098 O O . PHE A 1 134 ? -16.634 -8.961 4.471 1.00 67.01 134 A 1 ATOM 1099 C CB . PHE A 1 134 ? -14.064 -10.139 2.731 1.00 72.35 134 A 1 ATOM 1100 C CG . PHE A 1 134 ? -12.561 -10.246 2.528 1.00 72.75 134 A 1 ATOM 1101 C CD1 . PHE A 1 134 ? -11.982 -9.921 1.287 1.00 68.98 134 A 1 ATOM 1102 C CD2 . PHE A 1 134 ? -11.731 -10.630 3.599 1.00 69.56 134 A 1 ATOM 1103 C CE1 . PHE A 1 134 ? -10.587 -9.989 1.116 1.00 66.42 134 A 1 ATOM 1104 C CE2 . PHE A 1 134 ? -10.335 -10.690 3.430 1.00 66.85 134 A 1 ATOM 1105 C CZ . PHE A 1 134 ? -9.764 -10.373 2.188 1.00 69.71 134 A 1 ATOM 1106 N N . ASN A 1 135 ? -16.763 -8.357 2.319 1.00 72.79 135 A 1 ATOM 1107 C CA . ASN A 1 135 ? -18.225 -8.353 2.295 1.00 71.31 135 A 1 ATOM 1108 C C . ASN A 1 135 ? -18.807 -9.735 1.934 1.00 70.65 135 A 1 ATOM 1109 O O . ASN A 1 135 ? -18.098 -10.663 1.560 1.00 66.20 135 A 1 ATOM 1110 C CB . ASN A 1 135 ? -18.719 -7.195 1.402 1.00 67.99 135 A 1 ATOM 1111 C CG . ASN A 1 135 ? -18.533 -7.396 -0.088 1.00 63.71 135 A 1 ATOM 1112 O OD1 . ASN A 1 135 ? -18.380 -8.491 -0.589 1.00 60.37 135 A 1 ATOM 1113 N ND2 . ASN A 1 135 ? -18.612 -6.339 -0.863 1.00 60.69 135 A 1 ATOM 1114 N N . SER A 1 136 ? -20.135 -9.867 1.994 1.00 67.87 136 A 1 ATOM 1115 C CA . SER A 1 136 ? -20.850 -11.116 1.672 1.00 65.95 136 A 1 ATOM 1116 C C . SER A 1 136 ? -20.765 -11.552 0.204 1.00 65.99 136 A 1 ATOM 1117 O O . SER A 1 136 ? -21.230 -12.636 -0.126 1.00 62.41 136 A 1 ATOM 1118 C CB . SER A 1 136 ? -22.323 -10.983 2.064 1.00 62.56 136 A 1 ATOM 1119 O OG . SER A 1 136 ? -22.913 -9.855 1.434 1.00 58.86 136 A 1 ATOM 1120 N N . LYS A 1 137 ? -20.219 -10.705 -0.677 1.00 68.99 137 A 1 ATOM 1121 C CA . LYS A 1 137 ? -19.962 -11.011 -2.090 1.00 68.91 137 A 1 ATOM 1122 C C . LYS A 1 137 ? -18.502 -11.405 -2.345 1.00 68.33 137 A 1 ATOM 1123 O O . LYS A 1 137 ? -18.126 -11.573 -3.496 1.00 64.39 137 A 1 ATOM 1124 C CB . LYS A 1 137 ? -20.377 -9.826 -2.975 1.00 67.85 137 A 1 ATOM 1125 C CG . LYS A 1 137 ? -21.866 -9.474 -2.876 1.00 66.01 137 A 1 ATOM 1126 C CD . LYS A 1 137 ? -22.197 -8.341 -3.855 1.00 64.43 137 A 1 ATOM 1127 C CE . LYS A 1 137 ? -23.684 -7.987 -3.800 1.00 58.77 137 A 1 ATOM 1128 N NZ . LYS A 1 137 ? -24.022 -6.920 -4.775 1.00 54.39 137 A 1 ATOM 1129 N N . GLY A 1 138 ? -17.699 -11.521 -1.291 1.00 64.96 138 A 1 ATOM 1130 C CA . GLY A 1 138 ? -16.280 -11.850 -1.395 1.00 63.25 138 A 1 ATOM 1131 C C . GLY A 1 138 ? -15.386 -10.703 -1.861 1.00 65.94 138 A 1 ATOM 1132 O O . GLY A 1 138 ? -14.238 -10.938 -2.217 1.00 63.05 138 A 1 ATOM 1133 N N . SER A 1 139 ? -15.890 -9.468 -1.873 1.00 66.37 139 A 1 ATOM 1134 C CA . SER A 1 139 ? -15.082 -8.295 -2.218 1.00 69.01 139 A 1 ATOM 1135 C C . SER A 1 139 ? -14.409 -7.725 -0.972 1.00 71.89 139 A 1 ATOM 1136 O O . SER A 1 139 ? -15.036 -7.654 0.088 1.00 70.53 139 A 1 ATOM 1137 C CB . SER A 1 139 ? -15.919 -7.213 -2.891 1.00 65.66 139 A 1 ATOM 1138 O OG . SER A 1 139 ? -16.600 -7.732 -4.020 1.00 58.05 139 A 1 ATOM 1139 N N . PHE A 1 140 ? -13.159 -7.292 -1.121 1.00 68.11 140 A 1 ATOM 1140 C CA . PHE A 1 140 ? -12.463 -6.512 -0.101 1.00 69.34 140 A 1 ATOM 1141 C C . PHE A 1 140 ? -13.236 -5.219 0.194 1.00 69.39 140 A 1 ATOM 1142 O O . PHE A 1 140 ? -13.687 -4.542 -0.729 1.00 68.09 140 A 1 ATOM 1143 C CB . PHE A 1 140 ? -11.042 -6.220 -0.589 1.00 68.79 140 A 1 ATOM 1144 C CG . PHE A 1 140 ? -10.253 -5.297 0.315 1.00 68.16 140 A 1 ATOM 1145 C CD1 . PHE A 1 140 ? -9.980 -3.979 -0.091 1.00 63.62 140 A 1 ATOM 1146 C CD2 . PHE A 1 140 ? -9.795 -5.754 1.560 1.00 64.07 140 A 1 ATOM 1147 C CE1 . PHE A 1 140 ? -9.227 -3.131 0.735 1.00 60.21 140 A 1 ATOM 1148 C CE2 . PHE A 1 140 ? -9.045 -4.899 2.387 1.00 60.75 140 A 1 ATOM 1149 C CZ . PHE A 1 140 ? -8.754 -3.589 1.970 1.00 62.31 140 A 1 ATOM 1150 N N . VAL A 1 141 ? -13.426 -4.901 1.473 1.00 71.75 141 A 1 ATOM 1151 C CA . VAL A 1 141 ? -14.177 -3.717 1.924 1.00 71.13 141 A 1 ATOM 1152 C C . VAL A 1 141 ? -13.242 -2.636 2.440 1.00 71.21 141 A 1 ATOM 1153 O O . VAL A 1 141 ? -13.460 -1.466 2.138 1.00 66.70 141 A 1 ATOM 1154 C CB . VAL A 1 141 ? -15.209 -4.081 3.003 1.00 67.68 141 A 1 ATOM 1155 C CG1 . VAL A 1 141 ? -16.040 -2.865 3.438 1.00 61.65 141 A 1 ATOM 1156 C CG2 . VAL A 1 141 ? -16.202 -5.141 2.512 1.00 63.31 141 A 1 ATOM 1157 N N . GLY A 1 142 ? -12.217 -3.012 3.210 1.00 72.91 142 A 1 ATOM 1158 C CA . GLY A 1 142 ? -11.297 -2.041 3.788 1.00 72.97 142 A 1 ATOM 1159 C C . GLY A 1 142 ? -10.359 -2.640 4.829 1.00 74.63 142 A 1 ATOM 1160 O O . GLY A 1 142 ? -10.431 -3.833 5.146 1.00 72.91 142 A 1 ATOM 1161 N N . LEU A 1 143 ? -9.497 -1.779 5.365 1.00 72.97 143 A 1 ATOM 1162 C CA . LEU A 1 143 ? -8.612 -2.058 6.490 1.00 73.27 143 A 1 ATOM 1163 C C . LEU A 1 143 ? -9.186 -1.438 7.765 1.00 72.83 143 A 1 ATOM 1164 O O . LEU A 1 143 ? -9.928 -0.459 7.701 1.00 70.49 143 A 1 ATOM 1165 C CB . LEU A 1 143 ? -7.201 -1.537 6.176 1.00 70.44 143 A 1 ATOM 1166 C CG . LEU A 1 143 ? -6.566 -2.122 4.905 1.00 66.77 143 A 1 ATOM 1167 C CD1 . LEU A 1 143 ? -5.174 -1.538 4.700 1.00 64.48 143 A 1 ATOM 1168 C CD2 . LEU A 1 143 ? -6.430 -3.640 4.972 1.00 65.10 143 A 1 ATOM 1169 N N . ASN A 1 144 ? -8.873 -2.016 8.927 1.00 73.46 144 A 1 ATOM 1170 C CA . ASN A 1 144 ? -9.362 -1.501 10.203 1.00 74.26 144 A 1 ATOM 1171 C C . ASN A 1 144 ? -8.328 -1.652 11.328 1.00 73.53 144 A 1 ATOM 1172 O O . ASN A 1 144 ? -7.425 -2.491 11.267 1.00 71.36 144 A 1 ATOM 1173 C CB . ASN A 1 144 ? -10.696 -2.193 10.523 1.00 70.64 144 A 1 ATOM 1174 C CG . ASN A 1 144 ? -11.648 -1.356 11.358 1.00 64.62 144 A 1 ATOM 1175 O OD1 . ASN A 1 144 ? -11.333 -0.297 11.871 1.00 59.14 144 A 1 ATOM 1176 N ND2 . ASN A 1 144 ? -12.874 -1.793 11.517 1.00 58.07 144 A 1 ATOM 1177 N N . TYR A 1 145 ? -8.497 -0.831 12.359 1.00 70.48 145 A 1 ATOM 1178 C CA . TYR A 1 145 ? -7.699 -0.791 13.576 1.00 68.99 145 A 1 ATOM 1179 C C . TYR A 1 145 ? -8.355 -1.616 14.692 1.00 67.22 145 A 1 ATOM 1180 O O . TYR A 1 145 ? -9.578 -1.768 14.735 1.00 62.02 145 A 1 ATOM 1181 C CB . TYR A 1 145 ? -7.552 0.664 14.038 1.00 65.88 145 A 1 ATOM 1182 C CG . TYR A 1 145 ? -6.876 1.594 13.048 1.00 61.81 145 A 1 ATOM 1183 C CD1 . TYR A 1 145 ? -5.482 1.732 13.079 1.00 58.47 145 A 1 ATOM 1184 C CD2 . TYR A 1 145 ? -7.636 2.346 12.128 1.00 57.55 145 A 1 ATOM 1185 C CE1 . TYR A 1 145 ? -4.844 2.625 12.192 1.00 51.71 145 A 1 ATOM 1186 C CE2 . TYR A 1 145 ? -6.995 3.233 11.236 1.00 51.37 145 A 1 ATOM 1187 C CZ . TYR A 1 145 ? -5.598 3.376 11.272 1.00 49.83 145 A 1 ATOM 1188 O OH . TYR A 1 145 ? -4.970 4.230 10.424 1.00 49.28 145 A 1 ATOM 1189 N N . GLY A 1 146 ? -7.544 -2.064 15.657 1.00 68.92 146 A 1 ATOM 1190 C CA . GLY A 1 146 ? -8.016 -2.741 16.866 1.00 68.70 146 A 1 ATOM 1191 C C . GLY A 1 146 ? -8.371 -4.216 16.663 1.00 70.10 146 A 1 ATOM 1192 O O . GLY A 1 146 ? -8.031 -4.817 15.644 1.00 64.83 146 A 1 ATOM 1193 N N . ASP A 1 147 ? -9.030 -4.806 17.657 1.00 66.99 147 A 1 ATOM 1194 C CA . ASP A 1 147 ? -9.393 -6.225 17.614 1.00 68.19 147 A 1 ATOM 1195 C C . ASP A 1 147 ? -10.563 -6.489 16.652 1.00 67.08 147 A 1 ATOM 1196 O O . ASP A 1 147 ? -11.576 -5.776 16.691 1.00 63.44 147 A 1 ATOM 1197 C CB . ASP A 1 147 ? -9.733 -6.746 19.021 1.00 65.56 147 A 1 ATOM 1198 C CG . ASP A 1 147 ? -8.522 -6.792 19.954 1.00 61.26 147 A 1 ATOM 1199 O OD1 . ASP A 1 147 ? -7.429 -7.150 19.468 1.00 58.41 147 A 1 ATOM 1200 O OD2 . ASP A 1 147 ? -8.719 -6.480 21.152 1.00 56.94 147 A 1 ATOM 1201 N N . PRO A 1 148 ? -10.479 -7.535 15.807 1.00 65.76 148 A 1 ATOM 1202 C CA . PRO A 1 148 ? -11.561 -7.892 14.904 1.00 65.19 148 A 1 ATOM 1203 C C . PRO A 1 148 ? -12.784 -8.374 15.698 1.00 64.41 148 A 1 ATOM 1204 O O . PRO A 1 148 ? -12.778 -9.437 16.314 1.00 60.41 148 A 1 ATOM 1205 C CB . PRO A 1 148 ? -10.981 -8.959 13.968 1.00 61.56 148 A 1 ATOM 1206 C CG . PRO A 1 148 ? -9.845 -9.584 14.776 1.00 58.70 148 A 1 ATOM 1207 C CD . PRO A 1 148 ? -9.347 -8.438 15.646 1.00 64.81 148 A 1 ATOM 1208 N N . PHE A 1 149 ? -13.883 -7.621 15.619 1.00 58.71 149 A 1 ATOM 1209 C CA . PHE A 1 149 ? -15.155 -7.963 16.282 1.00 56.38 149 A 1 ATOM 1210 C C . PHE A 1 149 ? -15.927 -9.115 15.606 1.00 54.79 149 A 1 ATOM 1211 O O . PHE A 1 149 ? -17.113 -9.312 15.873 1.00 51.25 149 A 1 ATOM 1212 C CB . PHE A 1 149 ? -16.004 -6.682 16.439 1.00 52.82 149 A 1 ATOM 1213 C CG . PHE A 1 149 ? -16.247 -6.305 17.890 1.00 49.79 149 A 1 ATOM 1214 C CD1 . PHE A 1 149 ? -17.377 -6.801 18.573 1.00 46.23 149 A 1 ATOM 1215 C CD2 . PHE A 1 149 ? -15.331 -5.475 18.564 1.00 45.65 149 A 1 ATOM 1216 C CE1 . PHE A 1 149 ? -17.593 -6.462 19.923 1.00 40.34 149 A 1 ATOM 1217 C CE2 . PHE A 1 149 ? -15.544 -5.140 19.913 1.00 41.05 149 A 1 ATOM 1218 C CZ . PHE A 1 149 ? -16.677 -5.629 20.594 1.00 39.29 149 A 1 ATOM 1219 N N . VAL A 1 150 ? -15.311 -9.855 14.658 1.00 58.63 150 A 1 ATOM 1220 C CA . VAL A 1 150 ? -16.055 -10.546 13.602 1.00 58.11 150 A 1 ATOM 1221 C C . VAL A 1 150 ? -15.599 -11.986 13.305 1.00 59.21 150 A 1 ATOM 1222 O O . VAL A 1 150 ? -14.447 -12.261 13.008 1.00 54.60 150 A 1 ATOM 1223 C CB . VAL A 1 150 ? -16.099 -9.673 12.331 1.00 52.04 150 A 1 ATOM 1224 C CG1 . VAL A 1 150 ? -17.191 -10.184 11.395 1.00 46.22 150 A 1 ATOM 1225 C CG2 . VAL A 1 150 ? -16.462 -8.199 12.599 1.00 46.45 150 A 1 ATOM 1226 N N . VAL A 1 151 ? -16.602 -12.875 13.324 1.00 65.42 151 A 1 ATOM 1227 C CA . VAL A 1 151 ? -16.887 -14.195 12.705 1.00 66.85 151 A 1 ATOM 1228 C C . VAL A 1 151 ? -15.769 -15.199 12.390 1.00 70.07 151 A 1 ATOM 1229 O O . VAL A 1 151 ? -15.809 -16.288 12.986 1.00 65.17 151 A 1 ATOM 1230 C CB . VAL A 1 151 ? -17.873 -14.033 11.526 1.00 59.94 151 A 1 ATOM 1231 C CG1 . VAL A 1 151 ? -18.569 -15.341 11.159 1.00 53.04 151 A 1 ATOM 1232 C CG2 . VAL A 1 151 ? -19.013 -13.037 11.842 1.00 54.04 151 A 1 ATOM 1233 N N . LYS A 1 152 ? -14.821 -14.955 11.461 1.00 71.89 152 A 1 ATOM 1234 C CA . LYS A 1 152 ? -13.863 -15.992 11.035 1.00 76.49 152 A 1 ATOM 1235 C C . LYS A 1 152 ? -12.538 -15.415 10.534 1.00 77.88 152 A 1 ATOM 1236 O O . LYS A 1 152 ? -12.512 -14.678 9.552 1.00 76.82 152 A 1 ATOM 1237 C CB . LYS A 1 152 ? -14.508 -16.903 9.975 1.00 74.68 152 A 1 ATOM 1238 C CG . LYS A 1 152 ? -13.617 -18.108 9.647 1.00 70.13 152 A 1 ATOM 1239 C CD . LYS A 1 152 ? -14.236 -19.026 8.589 1.00 69.35 152 A 1 ATOM 1240 C CE . LYS A 1 152 ? -13.203 -20.116 8.262 1.00 61.67 152 A 1 ATOM 1241 N NZ . LYS A 1 152 ? -13.495 -20.816 6.995 1.00 54.92 152 A 1 ATOM 1242 N N . LYS A 1 153 ? -11.429 -15.841 11.181 1.00 78.58 153 A 1 ATOM 1243 C CA . LYS A 1 153 ? -10.069 -15.626 10.675 1.00 80.78 153 A 1 ATOM 1244 C C . LYS A 1 153 ? -9.826 -16.531 9.464 1.00 80.87 153 A 1 ATOM 1245 O O . LYS A 1 153 ? -10.090 -17.731 9.542 1.00 80.50 153 A 1 ATOM 1246 C CB . LYS A 1 153 ? -9.041 -15.869 11.799 1.00 80.07 153 A 1 ATOM 1247 C CG . LYS A 1 153 ? -7.600 -15.534 11.374 1.00 79.03 153 A 1 ATOM 1248 C CD . LYS A 1 153 ? -6.583 -15.686 12.526 1.00 77.25 153 A 1 ATOM 1249 C CE . LYS A 1 153 ? -5.188 -15.367 11.982 1.00 71.71 153 A 1 ATOM 1250 N NZ . LYS A 1 153 ? -4.094 -15.342 12.993 1.00 64.64 153 A 1 ATOM 1251 N N . ILE A 1 154 ? -9.332 -15.947 8.388 1.00 79.88 154 A 1 ATOM 1252 C CA . ILE A 1 154 ? -8.827 -16.635 7.194 1.00 80.10 154 A 1 ATOM 1253 C C . ILE A 1 154 ? -7.335 -16.352 7.034 1.00 79.57 154 A 1 ATOM 1254 O O . ILE A 1 154 ? -6.801 -15.413 7.632 1.00 79.65 154 A 1 ATOM 1255 C CB . ILE A 1 154 ? -9.640 -16.260 5.935 1.00 80.44 154 A 1 ATOM 1256 C CG1 . ILE A 1 154 ? -9.546 -14.752 5.610 1.00 77.80 154 A 1 ATOM 1257 C CG2 . ILE A 1 154 ? -11.098 -16.710 6.096 1.00 76.09 154 A 1 ATOM 1258 C CD1 . ILE A 1 154 ? -10.149 -14.378 4.254 1.00 74.59 154 A 1 ATOM 1259 N N . THR A 1 155 ? -6.656 -17.157 6.230 1.00 81.26 155 A 1 ATOM 1260 C CA . THR A 1 155 ? -5.222 -17.044 5.939 1.00 81.67 155 A 1 ATOM 1261 C C . THR A 1 155 ? -4.991 -16.687 4.473 1.00 81.72 155 A 1 ATOM 1262 O O . THR A 1 155 ? -5.897 -16.784 3.644 1.00 82.63 155 A 1 ATOM 1263 C CB . THR A 1 155 ? -4.484 -18.343 6.293 1.00 81.80 155 A 1 ATOM 1264 O OG1 . THR A 1 155 ? -4.896 -19.392 5.454 1.00 77.40 155 A 1 ATOM 1265 C CG2 . THR A 1 155 ? -4.699 -18.776 7.748 1.00 76.23 155 A 1 ATOM 1266 N N . PHE A 1 156 ? -3.765 -16.297 4.129 1.00 81.64 156 A 1 ATOM 1267 C CA . PHE A 1 156 ? -3.371 -16.070 2.735 1.00 81.36 156 A 1 ATOM 1268 C C . PHE A 1 156 ? -3.637 -17.306 1.851 1.00 80.85 156 A 1 ATOM 1269 O O . PHE A 1 156 ? -4.210 -17.186 0.773 1.00 79.67 156 A 1 ATOM 1270 C CB . PHE A 1 156 ? -1.891 -15.674 2.713 1.00 81.40 156 A 1 ATOM 1271 C CG . PHE A 1 156 ? -1.387 -15.327 1.333 1.00 80.79 156 A 1 ATOM 1272 C CD1 . PHE A 1 156 ? -0.816 -16.321 0.513 1.00 74.30 156 A 1 ATOM 1273 C CD2 . PHE A 1 156 ? -1.506 -14.011 0.856 1.00 75.37 156 A 1 ATOM 1274 C CE1 . PHE A 1 156 ? -0.367 -15.996 -0.776 1.00 71.18 156 A 1 ATOM 1275 C CE2 . PHE A 1 156 ? -1.054 -13.687 -0.433 1.00 71.07 156 A 1 ATOM 1276 C CZ . PHE A 1 156 ? -0.486 -14.679 -1.248 1.00 76.44 156 A 1 ATOM 1277 N N . ASN A 1 157 ? -3.311 -18.502 2.362 1.00 82.46 157 A 1 ATOM 1278 C CA . ASN A 1 157 ? -3.493 -19.773 1.651 1.00 82.04 157 A 1 ATOM 1279 C C . ASN A 1 157 ? -4.966 -20.195 1.511 1.00 81.77 157 A 1 ATOM 1280 O O . ASN A 1 157 ? -5.274 -21.033 0.672 1.00 81.35 157 A 1 ATOM 1281 C CB . ASN A 1 157 ? -2.689 -20.865 2.376 1.00 81.56 157 A 1 ATOM 1282 C CG . ASN A 1 157 ? -1.189 -20.628 2.357 1.00 78.40 157 A 1 ATOM 1283 O OD1 . ASN A 1 157 ? -0.650 -19.856 1.587 1.00 70.74 157 A 1 ATOM 1284 N ND2 . ASN A 1 157 ? -0.451 -21.279 3.223 1.00 69.32 157 A 1 ATOM 1285 N N . ASP A 1 158 ? -5.890 -19.622 2.293 1.00 83.38 158 A 1 ATOM 1286 C CA . ASP A 1 158 ? -7.325 -19.798 2.049 1.00 82.51 158 A 1 ATOM 1287 C C . ASP A 1 158 ? -7.773 -19.025 0.800 1.00 82.91 158 A 1 ATOM 1288 O O . ASP A 1 158 ? -8.759 -19.397 0.171 1.00 81.78 158 A 1 ATOM 1289 C CB . ASP A 1 158 ? -8.149 -19.340 3.263 1.00 81.24 158 A 1 ATOM 1290 C CG . ASP A 1 158 ? -7.936 -20.199 4.511 1.00 79.90 158 A 1 ATOM 1291 O OD1 . ASP A 1 158 ? -8.114 -21.432 4.420 1.00 75.93 158 A 1 ATOM 1292 O OD2 . ASP A 1 158 ? -7.636 -19.611 5.575 1.00 75.56 158 A 1 ATOM 1293 N N . LEU A 1 159 ? -7.063 -17.944 0.444 1.00 82.81 159 A 1 ATOM 1294 C CA . LEU A 1 159 ? -7.416 -17.061 -0.665 1.00 81.62 159 A 1 ATOM 1295 C C . LEU A 1 159 ? -6.703 -17.406 -1.973 1.00 80.94 159 A 1 ATOM 1296 O O . LEU A 1 159 ? -7.264 -17.157 -3.041 1.00 79.90 159 A 1 ATOM 1297 C CB . LEU A 1 159 ? -7.107 -15.605 -0.277 1.00 80.28 159 A 1 ATOM 1298 C CG . LEU A 1 159 ? -7.915 -15.064 0.911 1.00 77.19 159 A 1 ATOM 1299 C CD1 . LEU A 1 159 ? -7.532 -13.600 1.144 1.00 73.41 159 A 1 ATOM 1300 C CD2 . LEU A 1 159 ? -9.420 -15.138 0.662 1.00 73.98 159 A 1 ATOM 1301 N N . PHE A 1 160 ? -5.479 -17.937 -1.900 1.00 81.99 160 A 1 ATOM 1302 C CA . PHE A 1 160 ? -4.616 -18.185 -3.053 1.00 80.70 160 A 1 ATOM 1303 C C . PHE A 1 160 ? -3.951 -19.556 -2.958 1.00 78.27 160 A 1 ATOM 1304 O O . PHE A 1 160 ? -3.448 -19.946 -1.910 1.00 77.26 160 A 1 ATOM 1305 C CB . PHE A 1 160 ? -3.574 -17.070 -3.169 1.00 79.59 160 A 1 ATOM 1306 C CG . PHE A 1 160 ? -4.173 -15.690 -3.369 1.00 77.42 160 A 1 ATOM 1307 C CD1 . PHE A 1 160 ? -4.555 -15.266 -4.653 1.00 71.85 160 A 1 ATOM 1308 C CD2 . PHE A 1 160 ? -4.367 -14.839 -2.264 1.00 72.98 160 A 1 ATOM 1309 C CE1 . PHE A 1 160 ? -5.114 -13.989 -4.836 1.00 70.03 160 A 1 ATOM 1310 C CE2 . PHE A 1 160 ? -4.930 -13.564 -2.449 1.00 70.49 160 A 1 ATOM 1311 C CZ . PHE A 1 160 ? -5.297 -13.137 -3.737 1.00 74.00 160 A 1 ATOM 1312 N N . ILE A 1 161 ? -3.951 -20.282 -4.068 1.00 81.54 161 A 1 ATOM 1313 C CA . ILE A 1 161 ? -3.347 -21.611 -4.210 1.00 82.06 161 A 1 ATOM 1314 C C . ILE A 1 161 ? -2.472 -21.653 -5.464 1.00 80.32 161 A 1 ATOM 1315 O O . ILE A 1 161 ? -2.738 -20.899 -6.405 1.00 80.69 161 A 1 ATOM 1316 C CB . ILE A 1 161 ? -4.425 -22.720 -4.234 1.00 82.14 161 A 1 ATOM 1317 C CG1 . ILE A 1 161 ? -5.451 -22.531 -5.378 1.00 79.96 161 A 1 ATOM 1318 C CG2 . ILE A 1 161 ? -5.107 -22.808 -2.856 1.00 78.48 161 A 1 ATOM 1319 C CD1 . ILE A 1 161 ? -6.435 -23.696 -5.539 1.00 76.21 161 A 1 ATOM 1320 N N . PRO A 1 162 ? -1.442 -22.526 -5.519 1.00 81.28 162 A 1 ATOM 1321 C CA . PRO A 1 162 ? -0.678 -22.741 -6.743 1.00 81.83 162 A 1 ATOM 1322 C C . PRO A 1 162 ? -1.577 -23.201 -7.893 1.00 81.80 162 A 1 ATOM 1323 O O . PRO A 1 162 ? -2.479 -24.023 -7.708 1.00 80.09 162 A 1 ATOM 1324 C CB . PRO A 1 162 ? 0.385 -23.790 -6.407 1.00 79.10 162 A 1 ATOM 1325 C CG . PRO A 1 162 ? 0.515 -23.686 -4.891 1.00 79.24 162 A 1 ATOM 1326 C CD . PRO A 1 162 ? -0.899 -23.322 -4.442 1.00 83.92 162 A 1 ATOM 1327 N N . LYS A 1 163 ? -1.327 -22.674 -9.083 1.00 80.53 163 A 1 ATOM 1328 C CA . LYS A 1 163 ? -1.948 -23.127 -10.326 1.00 79.74 163 A 1 ATOM 1329 C C . LYS A 1 163 ? -1.510 -24.567 -10.606 1.00 77.42 163 A 1 ATOM 1330 O O . LYS A 1 163 ? -0.325 -24.871 -10.571 1.00 75.29 163 A 1 ATOM 1331 C CB . LYS A 1 163 ? -1.540 -22.148 -11.430 1.00 77.06 163 A 1 ATOM 1332 C CG . LYS A 1 163 ? -2.313 -22.343 -12.734 1.00 70.90 163 A 1 ATOM 1333 C CD . LYS A 1 163 ? -1.852 -21.259 -13.705 1.00 68.62 163 A 1 ATOM 1334 C CE . LYS A 1 163 ? -2.541 -21.363 -15.057 1.00 62.91 163 A 1 ATOM 1335 N NZ . LYS A 1 163 ? -1.975 -20.331 -15.959 1.00 57.45 163 A 1 ATOM 1336 N N . GLN A 1 164 ? -2.483 -25.453 -10.839 1.00 82.90 164 A 1 ATOM 1337 C CA . GLN A 1 164 ? -2.242 -26.852 -11.217 1.00 82.76 164 A 1 ATOM 1338 C C . GLN A 1 164 ? -1.974 -27.007 -12.717 1.00 78.54 164 A 1 ATOM 1339 O O . GLN A 1 164 ? -2.583 -26.253 -13.499 1.00 73.21 164 A 1 ATOM 1340 C CB . GLN A 1 164 ? -3.420 -27.745 -10.798 1.00 77.31 164 A 1 ATOM 1341 C CG . GLN A 1 164 ? -3.550 -27.862 -9.274 1.00 71.39 164 A 1 ATOM 1342 C CD . GLN A 1 164 ? -4.634 -28.855 -8.834 1.00 68.07 164 A 1 ATOM 1343 O OE1 . GLN A 1 164 ? -5.384 -29.449 -9.604 1.00 64.65 164 A 1 ATOM 1344 N NE2 . GLN A 1 164 ? -4.761 -29.089 -7.546 1.00 61.81 164 A 1 ATOM 1345 O OXT . GLN A 1 164 ? -1.172 -27.926 -13.034 1.00 69.26 164 A 1 #