# 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_pina # _entry.id pina # 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 ILE 2 1 n THR 3 1 n VAL 4 1 n ASP 5 1 n LYS 6 1 n TRP 7 1 n PHE 8 1 n ARG 9 1 n ILE 10 1 n ASN 11 1 n ARG 12 1 n ALA 13 1 n ASP 14 1 n THR 15 1 n GLY 16 1 n LEU 17 1 n CYS 18 1 n ASN 19 1 n TYR 20 1 n TRP 21 1 n PRO 22 1 n GLU 23 1 n LEU 24 1 n SER 25 1 n ALA 26 1 n GLY 27 1 n THR 28 1 n VAL 29 1 n PHE 30 1 n LYS 31 1 n VAL 32 1 n ARG 33 1 n GLU 34 1 n LEU 35 1 n VAL 36 1 n LYS 37 1 n GLU 38 1 n CYS 39 1 n GLU 40 1 n ASP 41 1 n ASP 42 1 n ILE 43 1 n GLU 44 1 n PRO 45 1 n ASP 46 1 n THR 47 1 n GLY 48 1 n ILE 49 1 n ILE 50 1 n GLU 51 1 n ILE 52 1 n GLU 53 1 n LEU 54 1 n SER 55 1 n ASP 56 1 n GLY 57 1 n LYS 58 1 n ILE 59 1 n ILE 60 1 n ASN 61 1 n ILE 62 1 n TYR 63 1 n ASP 64 1 n LYS 65 1 n PRO 66 1 n ILE 67 1 n THR 68 1 n TYR 69 1 n TRP 70 1 n CYS 71 1 n LEU 72 1 n TRP 73 1 n ASN 74 1 n THR 75 1 n GLU 76 1 n SER 77 1 n VAL 78 1 n GLU 79 1 n ASN 80 1 n GLY 81 1 n GLU 82 1 n ILE 83 1 n GLU 84 1 n GLU 85 1 n VAL 86 1 n VAL 87 1 n GLU 88 1 n ARG 89 1 n THR 90 1 n ASN 91 1 n GLN 92 1 n VAL 93 1 n VAL 94 1 n GLN 95 1 n LYS 96 1 n PRO 97 1 n LYS 98 1 n ALA 99 1 n ASP 100 1 n PHE 101 1 n GLN 102 1 n GLY 103 1 n GLU 104 1 n ARG 105 1 n ILE 106 1 n SER 107 1 n TYR 108 1 n ALA 109 1 n LEU 110 1 n ALA 111 1 n LYS 112 1 n LEU 113 1 n ALA 114 1 n ALA 115 1 n GLN 116 1 n GLU 117 1 n ASN 118 1 n ASN 119 1 n ASP 120 1 n GLY 121 1 n TYR 122 1 n GLU 123 1 n GLY 124 1 n ASN 125 1 n LEU 126 1 n MET 127 1 n GLN 128 1 n ALA 129 1 n ALA 130 1 n ALA 131 1 n GLU 132 1 n TYR 133 1 n ILE 134 1 n GLU 135 1 n TRP 136 1 n LEU 137 1 n GLU 138 1 n THR 139 1 n GLN 140 1 n ILE 141 1 n SER 142 1 n PHE 143 1 n SER 144 1 n ASP 145 1 n ARG 146 1 n MET 147 1 n ILE 148 1 n GLN 149 1 n GLN 150 1 n TYR 151 1 n LYS 152 1 n ARG 153 1 n LEU 154 1 n HIS 155 1 n GLN 156 1 n MET 157 1 n PHE 158 1 n TYR 159 1 n ASN 160 1 n THR 161 # _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 01:08:31)" _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 83.09 _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 78.67 1 1 A ILE 2 2 90.55 1 2 A THR 3 2 89.87 1 3 A VAL 4 2 89.04 1 4 A ASP 5 2 87.08 1 5 A LYS 6 2 87.11 1 6 A TRP 7 2 85.69 1 7 A PHE 8 2 93.06 1 8 A ARG 9 2 85.43 1 9 A ILE 10 2 94.47 1 10 A ASN 11 2 90.72 1 11 A ARG 12 2 82.77 1 12 A ALA 13 2 91.64 1 13 A ASP 14 2 90.32 1 14 A THR 15 2 89.88 1 15 A GLY 16 2 93.55 1 16 A LEU 17 2 93.08 1 17 A CYS 18 2 92.20 1 18 A ASN 19 2 89.25 1 19 A TYR 20 2 89.92 1 20 A TRP 21 2 93.48 1 21 A PRO 22 2 93.34 1 22 A GLU 23 2 87.78 1 23 A LEU 24 2 93.81 1 24 A SER 25 2 92.05 1 25 A ALA 26 2 92.09 1 26 A GLY 27 2 89.97 1 27 A THR 28 2 91.39 1 28 A VAL 29 2 89.79 1 29 A PHE 30 2 93.50 1 30 A LYS 31 2 87.80 1 31 A VAL 32 2 93.43 1 32 A ARG 33 2 85.40 1 33 A GLU 34 2 88.40 1 34 A LEU 35 2 92.78 1 35 A VAL 36 2 91.07 1 36 A LYS 37 2 82.14 1 37 A GLU 38 2 76.54 1 38 A CYS 39 2 75.60 1 39 A GLU 40 2 69.67 1 40 A ASP 41 2 77.05 1 41 A ASP 42 2 76.50 1 42 A ILE 43 2 77.94 1 43 A GLU 44 2 73.09 1 44 A PRO 45 2 82.58 1 45 A ASP 46 2 86.44 1 46 A THR 47 2 90.53 1 47 A GLY 48 2 94.65 1 48 A ILE 49 2 95.75 1 49 A ILE 50 2 93.18 1 50 A GLU 51 2 92.44 1 51 A ILE 52 2 95.04 1 52 A GLU 53 2 87.28 1 53 A LEU 54 2 89.26 1 54 A SER 55 2 79.33 1 55 A ASP 56 2 79.18 1 56 A GLY 57 2 84.30 1 57 A LYS 58 2 84.50 1 58 A ILE 59 2 91.28 1 59 A ILE 60 2 94.55 1 60 A ASN 61 2 91.86 1 61 A ILE 62 2 91.57 1 62 A TYR 63 2 87.93 1 63 A ASP 64 2 88.56 1 64 A LYS 65 2 88.43 1 65 A PRO 66 2 91.55 1 66 A ILE 67 2 86.97 1 67 A THR 68 2 89.75 1 68 A TYR 69 2 86.95 1 69 A TRP 70 2 90.75 1 70 A CYS 71 2 94.54 1 71 A LEU 72 2 94.84 1 72 A TRP 73 2 94.76 1 73 A ASN 74 2 92.89 1 74 A THR 75 2 91.84 1 75 A GLU 76 2 85.55 1 76 A SER 77 2 94.85 1 77 A VAL 78 2 94.17 1 78 A GLU 79 2 89.52 1 79 A ASN 80 2 88.00 1 80 A GLY 81 2 94.66 1 81 A GLU 82 2 90.06 1 82 A ILE 83 2 95.47 1 83 A GLU 84 2 88.17 1 84 A GLU 85 2 88.93 1 85 A VAL 86 2 85.17 1 86 A VAL 87 2 72.65 1 87 A GLU 88 2 52.32 1 88 A ARG 89 2 46.85 1 89 A THR 90 2 43.07 1 90 A ASN 91 2 43.99 1 91 A GLN 92 2 39.51 1 92 A VAL 93 2 44.52 1 93 A VAL 94 2 50.82 1 94 A GLN 95 2 49.51 1 95 A LYS 96 2 57.92 1 96 A PRO 97 2 64.58 1 97 A LYS 98 2 63.71 1 98 A ALA 99 2 78.42 1 99 A ASP 100 2 78.51 1 100 A PHE 101 2 83.03 1 101 A GLN 102 2 84.02 1 102 A GLY 103 2 88.17 1 103 A GLU 104 2 85.45 1 104 A ARG 105 2 80.08 1 105 A ILE 106 2 91.23 1 106 A SER 107 2 92.58 1 107 A TYR 108 2 89.73 1 108 A ALA 109 2 94.46 1 109 A LEU 110 2 94.26 1 110 A ALA 111 2 95.13 1 111 A LYS 112 2 90.01 1 112 A LEU 113 2 91.05 1 113 A ALA 114 2 93.71 1 114 A ALA 115 2 93.98 1 115 A GLN 116 2 88.23 1 116 A GLU 117 2 77.85 1 117 A ASN 118 2 82.84 1 118 A ASN 119 2 84.99 1 119 A ASP 120 2 83.54 1 120 A GLY 121 2 92.72 1 121 A TYR 122 2 93.32 1 122 A GLU 123 2 87.11 1 123 A GLY 124 2 95.42 1 124 A ASN 125 2 92.65 1 125 A LEU 126 2 94.58 1 126 A MET 127 2 91.84 1 127 A GLN 128 2 90.68 1 128 A ALA 129 2 96.39 1 129 A ALA 130 2 96.03 1 130 A ALA 131 2 94.62 1 131 A GLU 132 2 91.56 1 132 A TYR 133 2 90.91 1 133 A ILE 134 2 92.50 1 134 A GLU 135 2 84.43 1 135 A TRP 136 2 88.18 1 136 A LEU 137 2 87.09 1 137 A GLU 138 2 84.67 1 138 A THR 139 2 85.71 1 139 A GLN 140 2 80.67 1 140 A ILE 141 2 77.34 1 141 A SER 142 2 76.84 1 142 A PHE 143 2 65.24 1 143 A SER 144 2 71.52 1 144 A ASP 145 2 67.66 1 145 A ARG 146 2 61.02 1 146 A MET 147 2 67.63 1 147 A ILE 148 2 70.76 1 148 A GLN 149 2 67.22 1 149 A GLN 150 2 69.74 1 150 A TYR 151 2 65.08 1 151 A LYS 152 2 69.26 1 152 A ARG 153 2 67.09 1 153 A LEU 154 2 74.04 1 154 A HIS 155 2 67.15 1 155 A GLN 156 2 70.23 1 156 A MET 157 2 71.67 1 157 A PHE 158 2 74.90 1 158 A TYR 159 2 75.06 1 159 A ASN 160 2 74.16 1 160 A THR 161 2 73.89 1 161 # _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 ILE . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n ASP . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n TRP . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n THR . 28 A 28 A 29 1 n VAL . 29 A 29 A 30 1 n PHE . 30 A 30 A 31 1 n LYS . 31 A 31 A 32 1 n VAL . 32 A 32 A 33 1 n ARG . 33 A 33 A 34 1 n GLU . 34 A 34 A 35 1 n LEU . 35 A 35 A 36 1 n VAL . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n CYS . 39 A 39 A 40 1 n GLU . 40 A 40 A 41 1 n ASP . 41 A 41 A 42 1 n ASP . 42 A 42 A 43 1 n ILE . 43 A 43 A 44 1 n GLU . 44 A 44 A 45 1 n PRO . 45 A 45 A 46 1 n ASP . 46 A 46 A 47 1 n THR . 47 A 47 A 48 1 n GLY . 48 A 48 A 49 1 n ILE . 49 A 49 A 50 1 n ILE . 50 A 50 A 51 1 n GLU . 51 A 51 A 52 1 n ILE . 52 A 52 A 53 1 n GLU . 53 A 53 A 54 1 n LEU . 54 A 54 A 55 1 n SER . 55 A 55 A 56 1 n ASP . 56 A 56 A 57 1 n GLY . 57 A 57 A 58 1 n LYS . 58 A 58 A 59 1 n ILE . 59 A 59 A 60 1 n ILE . 60 A 60 A 61 1 n ASN . 61 A 61 A 62 1 n ILE . 62 A 62 A 63 1 n TYR . 63 A 63 A 64 1 n ASP . 64 A 64 A 65 1 n LYS . 65 A 65 A 66 1 n PRO . 66 A 66 A 67 1 n ILE . 67 A 67 A 68 1 n THR . 68 A 68 A 69 1 n TYR . 69 A 69 A 70 1 n TRP . 70 A 70 A 71 1 n CYS . 71 A 71 A 72 1 n LEU . 72 A 72 A 73 1 n TRP . 73 A 73 A 74 1 n ASN . 74 A 74 A 75 1 n THR . 75 A 75 A 76 1 n GLU . 76 A 76 A 77 1 n SER . 77 A 77 A 78 1 n VAL . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n ASN . 80 A 80 A 81 1 n GLY . 81 A 81 A 82 1 n GLU . 82 A 82 A 83 1 n ILE . 83 A 83 A 84 1 n GLU . 84 A 84 A 85 1 n GLU . 85 A 85 A 86 1 n VAL . 86 A 86 A 87 1 n VAL . 87 A 87 A 88 1 n GLU . 88 A 88 A 89 1 n ARG . 89 A 89 A 90 1 n THR . 90 A 90 A 91 1 n ASN . 91 A 91 A 92 1 n GLN . 92 A 92 A 93 1 n VAL . 93 A 93 A 94 1 n VAL . 94 A 94 A 95 1 n GLN . 95 A 95 A 96 1 n LYS . 96 A 96 A 97 1 n PRO . 97 A 97 A 98 1 n LYS . 98 A 98 A 99 1 n ALA . 99 A 99 A 100 1 n ASP . 100 A 100 A 101 1 n PHE . 101 A 101 A 102 1 n GLN . 102 A 102 A 103 1 n GLY . 103 A 103 A 104 1 n GLU . 104 A 104 A 105 1 n ARG . 105 A 105 A 106 1 n ILE . 106 A 106 A 107 1 n SER . 107 A 107 A 108 1 n TYR . 108 A 108 A 109 1 n ALA . 109 A 109 A 110 1 n LEU . 110 A 110 A 111 1 n ALA . 111 A 111 A 112 1 n LYS . 112 A 112 A 113 1 n LEU . 113 A 113 A 114 1 n ALA . 114 A 114 A 115 1 n ALA . 115 A 115 A 116 1 n GLN . 116 A 116 A 117 1 n GLU . 117 A 117 A 118 1 n ASN . 118 A 118 A 119 1 n ASN . 119 A 119 A 120 1 n ASP . 120 A 120 A 121 1 n GLY . 121 A 121 A 122 1 n TYR . 122 A 122 A 123 1 n GLU . 123 A 123 A 124 1 n GLY . 124 A 124 A 125 1 n ASN . 125 A 125 A 126 1 n LEU . 126 A 126 A 127 1 n MET . 127 A 127 A 128 1 n GLN . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n ALA . 130 A 130 A 131 1 n ALA . 131 A 131 A 132 1 n GLU . 132 A 132 A 133 1 n TYR . 133 A 133 A 134 1 n ILE . 134 A 134 A 135 1 n GLU . 135 A 135 A 136 1 n TRP . 136 A 136 A 137 1 n LEU . 137 A 137 A 138 1 n GLU . 138 A 138 A 139 1 n THR . 139 A 139 A 140 1 n GLN . 140 A 140 A 141 1 n ILE . 141 A 141 A 142 1 n SER . 142 A 142 A 143 1 n PHE . 143 A 143 A 144 1 n SER . 144 A 144 A 145 1 n ASP . 145 A 145 A 146 1 n ARG . 146 A 146 A 147 1 n MET . 147 A 147 A 148 1 n ILE . 148 A 148 A 149 1 n GLN . 149 A 149 A 150 1 n GLN . 150 A 150 A 151 1 n TYR . 151 A 151 A 152 1 n LYS . 152 A 152 A 153 1 n ARG . 153 A 153 A 154 1 n LEU . 154 A 154 A 155 1 n HIS . 155 A 155 A 156 1 n GLN . 156 A 156 A 157 1 n MET . 157 A 157 A 158 1 n PHE . 158 A 158 A 159 1 n TYR . 159 A 159 A 160 1 n ASN . 160 A 160 A 161 1 n THR . 161 A 161 # _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 ? 20.447 4.687 13.409 1.00 83.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? 21.337 4.094 12.380 1.00 87.88 1 A 1 ATOM 3 C C . MET A 1 1 ? 20.480 3.444 11.307 1.00 89.32 1 A 1 ATOM 4 O O . MET A 1 1 ? 19.621 2.630 11.654 1.00 86.41 1 A 1 ATOM 5 C CB . MET A 1 1 ? 22.313 3.080 12.999 1.00 81.95 1 A 1 ATOM 6 C CG . MET A 1 1 ? 23.318 2.524 11.976 1.00 72.42 1 A 1 ATOM 7 S SD . MET A 1 1 ? 24.483 1.315 12.667 1.00 67.86 1 A 1 ATOM 8 C CE . MET A 1 1 ? 25.685 2.423 13.463 1.00 60.39 1 A 1 ATOM 9 N N . ILE A 1 2 ? 20.705 3.824 10.044 1.00 90.19 2 A 1 ATOM 10 C CA . ILE A 1 2 ? 19.963 3.291 8.893 1.00 91.72 2 A 1 ATOM 11 C C . ILE A 1 2 ? 20.546 1.917 8.539 1.00 91.75 2 A 1 ATOM 12 O O . ILE A 1 2 ? 21.758 1.776 8.387 1.00 90.08 2 A 1 ATOM 13 C CB . ILE A 1 2 ? 20.031 4.271 7.701 1.00 92.38 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? 19.488 5.671 8.082 1.00 90.09 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? 19.236 3.699 6.517 1.00 88.91 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? 19.682 6.727 6.986 1.00 89.25 2 A 1 ATOM 17 N N . THR A 1 3 ? 19.701 0.894 8.420 1.00 93.21 3 A 1 ATOM 18 C CA . THR A 1 3 ? 20.083 -0.448 7.956 1.00 92.38 3 A 1 ATOM 19 C C . THR A 1 3 ? 18.993 -1.023 7.053 1.00 92.20 3 A 1 ATOM 20 O O . THR A 1 3 ? 17.821 -0.663 7.186 1.00 91.66 3 A 1 ATOM 21 C CB . THR A 1 3 ? 20.358 -1.437 9.111 1.00 90.88 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? 19.222 -1.599 9.930 1.00 85.25 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? 21.500 -1.001 10.025 1.00 83.49 3 A 1 ATOM 24 N N . VAL A 1 4 ? 19.378 -1.934 6.141 1.00 91.13 4 A 1 ATOM 25 C CA . VAL A 1 4 ? 18.430 -2.706 5.320 1.00 91.04 4 A 1 ATOM 26 C C . VAL A 1 4 ? 17.436 -3.447 6.228 1.00 90.17 4 A 1 ATOM 27 O O . VAL A 1 4 ? 17.761 -3.804 7.363 1.00 87.65 4 A 1 ATOM 28 C CB . VAL A 1 4 ? 19.188 -3.659 4.367 1.00 90.90 4 A 1 ATOM 29 C CG1 . VAL A 1 4 ? 18.258 -4.510 3.497 1.00 86.23 4 A 1 ATOM 30 C CG2 . VAL A 1 4 ? 20.089 -2.854 3.413 1.00 86.19 4 A 1 ATOM 31 N N . ASP A 1 5 ? 16.221 -3.638 5.714 1.00 91.85 5 A 1 ATOM 32 C CA . ASP A 1 5 ? 15.063 -4.248 6.376 1.00 90.57 5 A 1 ATOM 33 C C . ASP A 1 5 ? 14.401 -3.438 7.508 1.00 90.21 5 A 1 ATOM 34 O O . ASP A 1 5 ? 13.319 -3.830 7.961 1.00 87.67 5 A 1 ATOM 35 C CB . ASP A 1 5 ? 15.342 -5.709 6.768 1.00 89.20 5 A 1 ATOM 36 C CG . ASP A 1 5 ? 15.491 -6.621 5.548 1.00 85.97 5 A 1 ATOM 37 O OD1 . ASP A 1 5 ? 14.530 -6.617 4.735 1.00 81.37 5 A 1 ATOM 38 O OD2 . ASP A 1 5 ? 16.471 -7.382 5.474 1.00 79.83 5 A 1 ATOM 39 N N . LYS A 1 6 ? 14.951 -2.284 7.898 1.00 90.45 6 A 1 ATOM 40 C CA . LYS A 1 6 ? 14.282 -1.398 8.865 1.00 91.11 6 A 1 ATOM 41 C C . LYS A 1 6 ? 13.149 -0.600 8.234 1.00 92.03 6 A 1 ATOM 42 O O . LYS A 1 6 ? 13.190 -0.253 7.058 1.00 91.59 6 A 1 ATOM 43 C CB . LYS A 1 6 ? 15.276 -0.452 9.532 1.00 90.70 6 A 1 ATOM 44 C CG . LYS A 1 6 ? 16.132 -1.185 10.574 1.00 88.47 6 A 1 ATOM 45 C CD . LYS A 1 6 ? 16.886 -0.126 11.373 1.00 85.27 6 A 1 ATOM 46 C CE . LYS A 1 6 ? 17.633 -0.716 12.562 1.00 81.37 6 A 1 ATOM 47 N NZ . LYS A 1 6 ? 17.934 0.370 13.513 1.00 73.02 6 A 1 ATOM 48 N N . TRP A 1 7 ? 12.164 -0.254 9.064 1.00 92.51 7 A 1 ATOM 49 C CA . TRP A 1 7 ? 11.027 0.579 8.693 1.00 92.36 7 A 1 ATOM 50 C C . TRP A 1 7 ? 11.204 2.005 9.205 1.00 93.04 7 A 1 ATOM 51 O O . TRP A 1 7 ? 11.598 2.220 10.348 1.00 92.09 7 A 1 ATOM 52 C CB . TRP A 1 7 ? 9.733 -0.046 9.211 1.00 90.82 7 A 1 ATOM 53 C CG . TRP A 1 7 ? 9.324 -1.306 8.513 1.00 88.62 7 A 1 ATOM 54 C CD1 . TRP A 1 7 ? 9.711 -2.556 8.843 1.00 84.01 7 A 1 ATOM 55 C CD2 . TRP A 1 7 ? 8.445 -1.442 7.355 1.00 85.11 7 A 1 ATOM 56 N NE1 . TRP A 1 7 ? 9.133 -3.462 7.973 1.00 80.82 7 A 1 ATOM 57 C CE2 . TRP A 1 7 ? 8.338 -2.828 7.036 1.00 82.47 7 A 1 ATOM 58 C CE3 . TRP A 1 7 ? 7.728 -0.538 6.544 1.00 80.19 7 A 1 ATOM 59 C CZ2 . TRP A 1 7 ? 7.552 -3.292 5.972 1.00 78.98 7 A 1 ATOM 60 C CZ3 . TRP A 1 7 ? 6.936 -0.989 5.475 1.00 79.90 7 A 1 ATOM 61 C CH2 . TRP A 1 7 ? 6.846 -2.364 5.184 1.00 78.70 7 A 1 ATOM 62 N N . PHE A 1 8 ? 10.842 2.969 8.361 1.00 92.54 8 A 1 ATOM 63 C CA . PHE A 1 8 ? 10.864 4.391 8.683 1.00 93.44 8 A 1 ATOM 64 C C . PHE A 1 8 ? 9.533 5.044 8.320 1.00 93.63 8 A 1 ATOM 65 O O . PHE A 1 8 ? 8.831 4.598 7.408 1.00 92.96 8 A 1 ATOM 66 C CB . PHE A 1 8 ? 12.039 5.072 7.968 1.00 94.13 8 A 1 ATOM 67 C CG . PHE A 1 8 ? 13.396 4.711 8.535 1.00 94.33 8 A 1 ATOM 68 C CD1 . PHE A 1 8 ? 14.014 5.558 9.477 1.00 92.12 8 A 1 ATOM 69 C CD2 . PHE A 1 8 ? 14.034 3.522 8.145 1.00 92.60 8 A 1 ATOM 70 C CE1 . PHE A 1 8 ? 15.261 5.215 10.023 1.00 91.93 8 A 1 ATOM 71 C CE2 . PHE A 1 8 ? 15.279 3.174 8.697 1.00 92.25 8 A 1 ATOM 72 C CZ . PHE A 1 8 ? 15.893 4.022 9.637 1.00 93.71 8 A 1 ATOM 73 N N . ARG A 1 9 ? 9.180 6.120 9.035 1.00 93.77 9 A 1 ATOM 74 C CA . ARG A 1 9 ? 8.074 7.023 8.691 1.00 94.40 9 A 1 ATOM 75 C C . ARG A 1 9 ? 8.645 8.363 8.242 1.00 94.97 9 A 1 ATOM 76 O O . ARG A 1 9 ? 9.550 8.886 8.880 1.00 94.84 9 A 1 ATOM 77 C CB . ARG A 1 9 ? 7.140 7.181 9.898 1.00 93.48 9 A 1 ATOM 78 C CG . ARG A 1 9 ? 5.965 8.125 9.598 1.00 91.58 9 A 1 ATOM 79 C CD . ARG A 1 9 ? 5.128 8.391 10.846 1.00 89.08 9 A 1 ATOM 80 N NE . ARG A 1 9 ? 4.486 7.155 11.347 1.00 80.76 9 A 1 ATOM 81 C CZ . ARG A 1 9 ? 4.347 6.815 12.610 1.00 74.49 9 A 1 ATOM 82 N NH1 . ARG A 1 9 ? 4.781 7.564 13.585 1.00 67.21 9 A 1 ATOM 83 N NH2 . ARG A 1 9 ? 3.758 5.702 12.923 1.00 65.16 9 A 1 ATOM 84 N N . ILE A 1 10 ? 8.053 8.934 7.189 1.00 94.37 10 A 1 ATOM 85 C CA . ILE A 1 10 ? 8.344 10.296 6.732 1.00 95.10 10 A 1 ATOM 86 C C . ILE A 1 10 ? 7.593 11.283 7.636 1.00 94.84 10 A 1 ATOM 87 O O . ILE A 1 10 ? 6.362 11.290 7.668 1.00 93.62 10 A 1 ATOM 88 C CB . ILE A 1 10 ? 7.949 10.472 5.252 1.00 95.59 10 A 1 ATOM 89 C CG1 . ILE A 1 10 ? 8.614 9.400 4.352 1.00 94.78 10 A 1 ATOM 90 C CG2 . ILE A 1 10 ? 8.318 11.892 4.788 1.00 94.12 10 A 1 ATOM 91 C CD1 . ILE A 1 10 ? 8.143 9.429 2.894 1.00 93.33 10 A 1 ATOM 92 N N . ASN A 1 11 ? 8.319 12.138 8.355 1.00 94.70 11 A 1 ATOM 93 C CA . ASN A 1 11 ? 7.729 13.201 9.171 1.00 93.84 11 A 1 ATOM 94 C C . ASN A 1 11 ? 7.622 14.512 8.392 1.00 93.86 11 A 1 ATOM 95 O O . ASN A 1 11 ? 6.642 15.249 8.534 1.00 91.76 11 A 1 ATOM 96 C CB . ASN A 1 11 ? 8.578 13.382 10.433 1.00 92.99 11 A 1 ATOM 97 C CG . ASN A 1 11 ? 8.444 12.229 11.399 1.00 91.23 11 A 1 ATOM 98 O OD1 . ASN A 1 11 ? 7.454 11.506 11.421 1.00 83.79 11 A 1 ATOM 99 N ND2 . ASN A 1 11 ? 9.422 12.058 12.257 1.00 83.59 11 A 1 ATOM 100 N N . ARG A 1 12 ? 8.616 14.800 7.538 1.00 94.81 12 A 1 ATOM 101 C CA . ARG A 1 12 ? 8.641 15.965 6.644 1.00 94.81 12 A 1 ATOM 102 C C . ARG A 1 12 ? 8.900 15.505 5.219 1.00 94.55 12 A 1 ATOM 103 O O . ARG A 1 12 ? 9.912 14.876 4.945 1.00 93.35 12 A 1 ATOM 104 C CB . ARG A 1 12 ? 9.704 16.975 7.108 1.00 93.83 12 A 1 ATOM 105 C CG . ARG A 1 12 ? 9.367 17.581 8.481 1.00 85.37 12 A 1 ATOM 106 C CD . ARG A 1 12 ? 10.247 18.788 8.789 1.00 84.91 12 A 1 ATOM 107 N NE . ARG A 1 12 ? 11.674 18.444 8.927 1.00 75.82 12 A 1 ATOM 108 C CZ . ARG A 1 12 ? 12.363 18.305 10.044 1.00 69.23 12 A 1 ATOM 109 N NH1 . ARG A 1 12 ? 11.818 18.402 11.218 1.00 63.68 12 A 1 ATOM 110 N NH2 . ARG A 1 12 ? 13.634 18.081 10.006 1.00 60.15 12 A 1 ATOM 111 N N . ALA A 1 13 ? 7.965 15.810 4.317 1.00 93.08 13 A 1 ATOM 112 C CA . ALA A 1 13 ? 8.098 15.475 2.907 1.00 92.12 13 A 1 ATOM 113 C C . ALA A 1 13 ? 9.063 16.444 2.212 1.00 92.74 13 A 1 ATOM 114 O O . ALA A 1 13 ? 8.925 17.661 2.356 1.00 90.73 13 A 1 ATOM 115 C CB . ALA A 1 13 ? 6.709 15.503 2.269 1.00 89.51 13 A 1 ATOM 116 N N . ASP A 1 14 ? 9.989 15.895 1.410 1.00 93.09 14 A 1 ATOM 117 C CA . ASP A 1 14 ? 10.794 16.682 0.479 1.00 93.32 14 A 1 ATOM 118 C C . ASP A 1 14 ? 9.972 16.982 -0.784 1.00 93.88 14 A 1 ATOM 119 O O . ASP A 1 14 ? 9.462 16.083 -1.462 1.00 92.88 14 A 1 ATOM 120 C CB . ASP A 1 14 ? 12.113 15.958 0.166 1.00 92.23 14 A 1 ATOM 121 C CG . ASP A 1 14 ? 12.984 16.826 -0.749 1.00 90.10 14 A 1 ATOM 122 O OD1 . ASP A 1 14 ? 12.618 16.945 -1.941 1.00 84.30 14 A 1 ATOM 123 O OD2 . ASP A 1 14 ? 13.928 17.458 -0.253 1.00 82.80 14 A 1 ATOM 124 N N . THR A 1 15 ? 9.809 18.264 -1.113 1.00 93.51 15 A 1 ATOM 125 C CA . THR A 1 15 ? 9.009 18.685 -2.273 1.00 93.37 15 A 1 ATOM 126 C C . THR A 1 15 ? 9.630 18.260 -3.603 1.00 93.54 15 A 1 ATOM 127 O O . THR A 1 15 ? 8.897 18.005 -4.558 1.00 91.90 15 A 1 ATOM 128 C CB . THR A 1 15 ? 8.783 20.203 -2.287 1.00 92.42 15 A 1 ATOM 129 O OG1 . THR A 1 15 ? 9.998 20.911 -2.208 1.00 83.97 15 A 1 ATOM 130 C CG2 . THR A 1 15 ? 7.911 20.661 -1.120 1.00 80.43 15 A 1 ATOM 131 N N . GLY A 1 16 ? 10.961 18.165 -3.685 1.00 93.68 16 A 1 ATOM 132 C CA . GLY A 1 16 ? 11.680 17.687 -4.863 1.00 93.28 16 A 1 ATOM 133 C C . GLY A 1 16 ? 11.404 16.209 -5.125 1.00 94.18 16 A 1 ATOM 134 O O . GLY A 1 16 ? 11.035 15.848 -6.244 1.00 93.08 16 A 1 ATOM 135 N N . LEU A 1 17 ? 11.478 15.356 -4.095 1.00 93.78 17 A 1 ATOM 136 C CA . LEU A 1 17 ? 11.126 13.934 -4.192 1.00 94.35 17 A 1 ATOM 137 C C . LEU A 1 17 ? 9.639 13.731 -4.523 1.00 94.70 17 A 1 ATOM 138 O O . LEU A 1 17 ? 9.310 12.943 -5.408 1.00 94.22 17 A 1 ATOM 139 C CB . LEU A 1 17 ? 11.492 13.209 -2.884 1.00 94.33 17 A 1 ATOM 140 C CG . LEU A 1 17 ? 12.998 13.131 -2.566 1.00 93.01 17 A 1 ATOM 141 C CD1 . LEU A 1 17 ? 13.201 12.349 -1.267 1.00 90.03 17 A 1 ATOM 142 C CD2 . LEU A 1 17 ? 13.790 12.423 -3.667 1.00 90.21 17 A 1 ATOM 143 N N . CYS A 1 18 ? 8.736 14.500 -3.880 1.00 94.27 18 A 1 ATOM 144 C CA . CYS A 1 18 ? 7.292 14.408 -4.125 1.00 93.61 18 A 1 ATOM 145 C C . CYS A 1 18 ? 6.887 14.750 -5.570 1.00 93.74 18 A 1 ATOM 146 O O . CYS A 1 18 ? 5.870 14.244 -6.049 1.00 92.60 18 A 1 ATOM 147 C CB . CYS A 1 18 ? 6.545 15.323 -3.149 1.00 92.31 18 A 1 ATOM 148 S SG . CYS A 1 18 ? 6.606 14.649 -1.467 1.00 86.69 18 A 1 ATOM 149 N N . ASN A 1 19 ? 7.670 15.555 -6.299 1.00 93.41 19 A 1 ATOM 150 C CA . ASN A 1 19 ? 7.418 15.823 -7.722 1.00 93.21 19 A 1 ATOM 151 C C . ASN A 1 19 ? 7.592 14.568 -8.601 1.00 93.66 19 A 1 ATOM 152 O O . ASN A 1 19 ? 6.959 14.458 -9.648 1.00 92.17 19 A 1 ATOM 153 C CB . ASN A 1 19 ? 8.360 16.938 -8.204 1.00 92.69 19 A 1 ATOM 154 C CG . ASN A 1 19 ? 7.998 18.313 -7.675 1.00 87.98 19 A 1 ATOM 155 O OD1 . ASN A 1 19 ? 6.854 18.643 -7.407 1.00 81.05 19 A 1 ATOM 156 N ND2 . ASN A 1 19 ? 8.967 19.192 -7.555 1.00 79.81 19 A 1 ATOM 157 N N . TYR A 1 20 ? 8.459 13.625 -8.188 1.00 93.17 20 A 1 ATOM 158 C CA . TYR A 1 20 ? 8.691 12.365 -8.900 1.00 93.18 20 A 1 ATOM 159 C C . TYR A 1 20 ? 7.863 11.212 -8.333 1.00 94.00 20 A 1 ATOM 160 O O . TYR A 1 20 ? 7.381 10.368 -9.098 1.00 92.54 20 A 1 ATOM 161 C CB . TYR A 1 20 ? 10.184 12.029 -8.856 1.00 92.83 20 A 1 ATOM 162 C CG . TYR A 1 20 ? 11.050 13.012 -9.616 1.00 91.91 20 A 1 ATOM 163 C CD1 . TYR A 1 20 ? 11.137 12.930 -11.022 1.00 87.84 20 A 1 ATOM 164 C CD2 . TYR A 1 20 ? 11.767 14.007 -8.924 1.00 88.41 20 A 1 ATOM 165 C CE1 . TYR A 1 20 ? 11.950 13.835 -11.732 1.00 86.23 20 A 1 ATOM 166 C CE2 . TYR A 1 20 ? 12.577 14.915 -9.631 1.00 86.55 20 A 1 ATOM 167 C CZ . TYR A 1 20 ? 12.673 14.826 -11.037 1.00 87.39 20 A 1 ATOM 168 O OH . TYR A 1 20 ? 13.470 15.692 -11.720 1.00 84.96 20 A 1 ATOM 169 N N . TRP A 1 21 ? 7.678 11.193 -7.013 1.00 94.90 21 A 1 ATOM 170 C CA . TRP A 1 21 ? 6.931 10.181 -6.272 1.00 95.12 21 A 1 ATOM 171 C C . TRP A 1 21 ? 5.980 10.846 -5.267 1.00 95.28 21 A 1 ATOM 172 O O . TRP A 1 21 ? 6.335 11.035 -4.101 1.00 94.19 21 A 1 ATOM 173 C CB . TRP A 1 21 ? 7.905 9.221 -5.581 1.00 95.04 21 A 1 ATOM 174 C CG . TRP A 1 21 ? 8.884 8.531 -6.481 1.00 94.68 21 A 1 ATOM 175 C CD1 . TRP A 1 21 ? 8.622 7.452 -7.252 1.00 92.37 21 A 1 ATOM 176 C CD2 . TRP A 1 21 ? 10.289 8.854 -6.697 1.00 94.41 21 A 1 ATOM 177 N NE1 . TRP A 1 21 ? 9.771 7.072 -7.922 1.00 92.26 21 A 1 ATOM 178 C CE2 . TRP A 1 21 ? 10.832 7.894 -7.603 1.00 93.68 21 A 1 ATOM 179 C CE3 . TRP A 1 21 ? 11.162 9.844 -6.194 1.00 92.72 21 A 1 ATOM 180 C CZ2 . TRP A 1 21 ? 12.186 7.905 -7.974 1.00 91.82 21 A 1 ATOM 181 C CZ3 . TRP A 1 21 ? 12.517 9.868 -6.568 1.00 91.54 21 A 1 ATOM 182 C CH2 . TRP A 1 21 ? 13.034 8.899 -7.448 1.00 90.76 21 A 1 ATOM 183 N N . PRO A 1 22 ? 4.737 11.189 -5.688 1.00 94.44 22 A 1 ATOM 184 C CA . PRO A 1 22 ? 3.740 11.815 -4.810 1.00 93.93 22 A 1 ATOM 185 C C . PRO A 1 22 ? 3.414 11.006 -3.543 1.00 93.82 22 A 1 ATOM 186 O O . PRO A 1 22 ? 2.907 11.552 -2.562 1.00 91.97 22 A 1 ATOM 187 C CB . PRO A 1 22 ? 2.494 11.978 -5.684 1.00 93.13 22 A 1 ATOM 188 C CG . PRO A 1 22 ? 3.053 12.060 -7.099 1.00 92.06 22 A 1 ATOM 189 C CD . PRO A 1 22 ? 4.246 11.117 -7.055 1.00 94.02 22 A 1 ATOM 190 N N . GLU A 1 23 ? 3.712 9.706 -3.549 1.00 92.48 23 A 1 ATOM 191 C CA . GLU A 1 23 ? 3.522 8.797 -2.420 1.00 92.26 23 A 1 ATOM 192 C C . GLU A 1 23 ? 4.500 9.058 -1.262 1.00 92.90 23 A 1 ATOM 193 O O . GLU A 1 23 ? 4.231 8.618 -0.143 1.00 91.17 23 A 1 ATOM 194 C CB . GLU A 1 23 ? 3.664 7.336 -2.894 1.00 90.60 23 A 1 ATOM 195 C CG . GLU A 1 23 ? 2.715 6.945 -4.040 1.00 86.29 23 A 1 ATOM 196 C CD . GLU A 1 23 ? 3.276 7.193 -5.452 1.00 86.42 23 A 1 ATOM 197 O OE1 . GLU A 1 23 ? 2.724 6.586 -6.401 1.00 78.43 23 A 1 ATOM 198 O OE2 . GLU A 1 23 ? 4.303 7.879 -5.625 1.00 79.45 23 A 1 ATOM 199 N N . LEU A 1 24 ? 5.605 9.778 -1.497 1.00 94.16 24 A 1 ATOM 200 C CA . LEU A 1 24 ? 6.603 10.123 -0.475 1.00 94.50 24 A 1 ATOM 201 C C . LEU A 1 24 ? 6.172 11.328 0.381 1.00 94.37 24 A 1 ATOM 202 O O . LEU A 1 24 ? 6.952 12.230 0.690 1.00 92.90 24 A 1 ATOM 203 C CB . LEU A 1 24 ? 7.995 10.304 -1.116 1.00 95.01 24 A 1 ATOM 204 C CG . LEU A 1 24 ? 8.523 9.092 -1.899 1.00 94.68 24 A 1 ATOM 205 C CD1 . LEU A 1 24 ? 9.971 9.357 -2.320 1.00 92.27 24 A 1 ATOM 206 C CD2 . LEU A 1 24 ? 8.484 7.793 -1.100 1.00 92.59 24 A 1 ATOM 207 N N . SER A 1 25 ? 4.899 11.361 0.772 1.00 94.23 25 A 1 ATOM 208 C CA . SER A 1 25 ? 4.294 12.405 1.596 1.00 93.60 25 A 1 ATOM 209 C C . SER A 1 25 ? 4.489 12.148 3.096 1.00 93.76 25 A 1 ATOM 210 O O . SER A 1 25 ? 4.777 11.032 3.530 1.00 92.73 25 A 1 ATOM 211 C CB . SER A 1 25 ? 2.814 12.562 1.234 1.00 92.13 25 A 1 ATOM 212 O OG . SER A 1 25 ? 2.107 11.356 1.429 1.00 85.86 25 A 1 ATOM 213 N N . ALA A 1 26 ? 4.319 13.195 3.913 1.00 93.10 26 A 1 ATOM 214 C CA . ALA A 1 26 ? 4.386 13.065 5.364 1.00 93.30 26 A 1 ATOM 215 C C . ALA A 1 26 ? 3.365 12.032 5.880 1.00 92.35 26 A 1 ATOM 216 O O . ALA A 1 26 ? 2.210 12.005 5.458 1.00 88.93 26 A 1 ATOM 217 C CB . ALA A 1 26 ? 4.182 14.441 6.010 1.00 92.78 26 A 1 ATOM 218 N N . GLY A 1 27 ? 3.810 11.182 6.804 1.00 91.66 27 A 1 ATOM 219 C CA . GLY A 1 27 ? 3.058 10.054 7.350 1.00 89.99 27 A 1 ATOM 220 C C . GLY A 1 27 ? 3.259 8.726 6.611 1.00 90.29 27 A 1 ATOM 221 O O . GLY A 1 27 ? 2.938 7.678 7.179 1.00 87.94 27 A 1 ATOM 222 N N . THR A 1 28 ? 3.834 8.730 5.400 1.00 91.50 28 A 1 ATOM 223 C CA . THR A 1 28 ? 4.141 7.505 4.652 1.00 92.34 28 A 1 ATOM 224 C C . THR A 1 28 ? 5.172 6.667 5.401 1.00 92.99 28 A 1 ATOM 225 O O . THR A 1 28 ? 6.144 7.187 5.940 1.00 92.16 28 A 1 ATOM 226 C CB . THR A 1 28 ? 4.614 7.817 3.227 1.00 92.25 28 A 1 ATOM 227 O OG1 . THR A 1 28 ? 3.549 8.442 2.548 1.00 89.59 28 A 1 ATOM 228 C CG2 . THR A 1 28 ? 4.977 6.569 2.416 1.00 88.89 28 A 1 ATOM 229 N N . VAL A 1 29 ? 4.948 5.353 5.441 1.00 92.05 29 A 1 ATOM 230 C CA . VAL A 1 29 ? 5.848 4.379 6.066 1.00 91.61 29 A 1 ATOM 231 C C . VAL A 1 29 ? 6.439 3.493 4.981 1.00 92.03 29 A 1 ATOM 232 O O . VAL A 1 29 ? 5.708 2.986 4.130 1.00 91.31 29 A 1 ATOM 233 C CB . VAL A 1 29 ? 5.130 3.554 7.148 1.00 89.95 29 A 1 ATOM 234 C CG1 . VAL A 1 29 ? 6.056 2.506 7.785 1.00 86.12 29 A 1 ATOM 235 C CG2 . VAL A 1 29 ? 4.616 4.448 8.286 1.00 85.47 29 A 1 ATOM 236 N N . PHE A 1 30 ? 7.761 3.283 5.038 1.00 91.99 30 A 1 ATOM 237 C CA . PHE A 1 30 ? 8.508 2.498 4.065 1.00 92.80 30 A 1 ATOM 238 C C . PHE A 1 30 ? 9.540 1.591 4.737 1.00 92.58 30 A 1 ATOM 239 O O . PHE A 1 30 ? 9.979 1.842 5.860 1.00 91.82 30 A 1 ATOM 240 C CB . PHE A 1 30 ? 9.161 3.443 3.057 1.00 93.87 30 A 1 ATOM 241 C CG . PHE A 1 30 ? 10.238 4.349 3.633 1.00 94.90 30 A 1 ATOM 242 C CD1 . PHE A 1 30 ? 9.919 5.655 4.048 1.00 93.79 30 A 1 ATOM 243 C CD2 . PHE A 1 30 ? 11.564 3.892 3.731 1.00 94.09 30 A 1 ATOM 244 C CE1 . PHE A 1 30 ? 10.926 6.500 4.542 1.00 93.78 30 A 1 ATOM 245 C CE2 . PHE A 1 30 ? 12.570 4.737 4.229 1.00 93.92 30 A 1 ATOM 246 C CZ . PHE A 1 30 ? 12.255 6.044 4.629 1.00 94.99 30 A 1 ATOM 247 N N . LYS A 1 31 ? 9.940 0.540 4.025 1.00 93.08 31 A 1 ATOM 248 C CA . LYS A 1 31 ? 11.015 -0.375 4.394 1.00 93.23 31 A 1 ATOM 249 C C . LYS A 1 31 ? 12.260 -0.067 3.570 1.00 94.13 31 A 1 ATOM 250 O O . LYS A 1 31 ? 12.159 0.085 2.360 1.00 94.19 31 A 1 ATOM 251 C CB . LYS A 1 31 ? 10.528 -1.806 4.171 1.00 91.72 31 A 1 ATOM 252 C CG . LYS A 1 31 ? 11.501 -2.818 4.768 1.00 88.40 31 A 1 ATOM 253 C CD . LYS A 1 31 ? 11.020 -4.246 4.509 1.00 85.67 31 A 1 ATOM 254 C CE . LYS A 1 31 ? 12.057 -5.152 5.156 1.00 78.12 31 A 1 ATOM 255 N NZ . LYS A 1 31 ? 11.893 -6.573 4.815 1.00 71.67 31 A 1 ATOM 256 N N . VAL A 1 32 ? 13.431 -0.016 4.193 1.00 93.68 32 A 1 ATOM 257 C CA . VAL A 1 32 ? 14.711 0.147 3.492 1.00 94.60 32 A 1 ATOM 258 C C . VAL A 1 32 ? 15.066 -1.151 2.762 1.00 94.37 32 A 1 ATOM 259 O O . VAL A 1 32 ? 15.083 -2.221 3.368 1.00 93.26 32 A 1 ATOM 260 C CB . VAL A 1 32 ? 15.827 0.547 4.468 1.00 94.95 32 A 1 ATOM 261 C CG1 . VAL A 1 32 ? 17.160 0.732 3.740 1.00 92.14 32 A 1 ATOM 262 C CG2 . VAL A 1 32 ? 15.486 1.862 5.184 1.00 90.98 32 A 1 ATOM 263 N N . ARG A 1 33 ? 15.368 -1.054 1.457 1.00 94.94 33 A 1 ATOM 264 C CA . ARG A 1 33 ? 15.749 -2.185 0.603 1.00 94.87 33 A 1 ATOM 265 C C . ARG A 1 33 ? 17.223 -2.157 0.239 1.00 95.00 33 A 1 ATOM 266 O O . ARG A 1 33 ? 17.872 -3.197 0.295 1.00 93.30 33 A 1 ATOM 267 C CB . ARG A 1 33 ? 14.890 -2.177 -0.670 1.00 94.50 33 A 1 ATOM 268 C CG . ARG A 1 33 ? 13.389 -2.384 -0.428 1.00 90.84 33 A 1 ATOM 269 C CD . ARG A 1 33 ? 13.059 -3.754 0.163 1.00 87.09 33 A 1 ATOM 270 N NE . ARG A 1 33 ? 13.502 -4.838 -0.727 1.00 80.36 33 A 1 ATOM 271 C CZ . ARG A 1 33 ? 13.184 -6.116 -0.612 1.00 74.04 33 A 1 ATOM 272 N NH1 . ARG A 1 33 ? 12.417 -6.550 0.352 1.00 68.17 33 A 1 ATOM 273 N NH2 . ARG A 1 33 ? 13.638 -6.979 -1.476 1.00 66.32 33 A 1 ATOM 274 N N . GLU A 1 34 ? 17.740 -0.977 -0.114 1.00 93.76 34 A 1 ATOM 275 C CA . GLU A 1 34 ? 19.129 -0.808 -0.534 1.00 94.49 34 A 1 ATOM 276 C C . GLU A 1 34 ? 19.716 0.509 -0.013 1.00 94.93 34 A 1 ATOM 277 O O . GLU A 1 34 ? 19.024 1.523 0.130 1.00 94.04 34 A 1 ATOM 278 C CB . GLU A 1 34 ? 19.223 -0.929 -2.063 1.00 93.83 34 A 1 ATOM 279 C CG . GLU A 1 34 ? 20.665 -1.164 -2.542 1.00 85.47 34 A 1 ATOM 280 C CD . GLU A 1 34 ? 20.772 -1.408 -4.056 1.00 85.22 34 A 1 ATOM 281 O OE1 . GLU A 1 34 ? 21.920 -1.359 -4.553 1.00 76.08 34 A 1 ATOM 282 O OE2 . GLU A 1 34 ? 19.732 -1.671 -4.700 1.00 77.78 34 A 1 ATOM 283 N N . LEU A 1 35 ? 21.009 0.459 0.301 1.00 94.69 35 A 1 ATOM 284 C CA . LEU A 1 35 ? 21.804 1.553 0.839 1.00 94.51 35 A 1 ATOM 285 C C . LEU A 1 35 ? 23.038 1.775 -0.029 1.00 94.15 35 A 1 ATOM 286 O O . LEU A 1 35 ? 23.595 0.826 -0.575 1.00 92.86 35 A 1 ATOM 287 C CB . LEU A 1 35 ? 22.245 1.225 2.278 1.00 93.90 35 A 1 ATOM 288 C CG . LEU A 1 35 ? 21.108 1.064 3.297 1.00 92.67 35 A 1 ATOM 289 C CD1 . LEU A 1 35 ? 21.677 0.616 4.642 1.00 89.29 35 A 1 ATOM 290 C CD2 . LEU A 1 35 ? 20.352 2.374 3.513 1.00 90.16 35 A 1 ATOM 291 N N . VAL A 1 36 ? 23.514 3.014 -0.069 1.00 94.28 36 A 1 ATOM 292 C CA . VAL A 1 36 ? 24.796 3.396 -0.658 1.00 93.43 36 A 1 ATOM 293 C C . VAL A 1 36 ? 25.583 4.236 0.341 1.00 92.69 36 A 1 ATOM 294 O O . VAL A 1 36 ? 24.999 4.894 1.206 1.00 91.89 36 A 1 ATOM 295 C CB . VAL A 1 36 ? 24.575 4.105 -2.005 1.00 92.59 36 A 1 ATOM 296 C CG1 . VAL A 1 36 ? 23.949 5.497 -1.848 1.00 86.11 36 A 1 ATOM 297 C CG2 . VAL A 1 36 ? 25.869 4.220 -2.809 1.00 86.50 36 A 1 ATOM 298 N N . LYS A 1 37 ? 26.920 4.210 0.242 1.00 91.67 37 A 1 ATOM 299 C CA . LYS A 1 37 ? 27.793 5.149 0.952 1.00 89.97 37 A 1 ATOM 300 C C . LYS A 1 37 ? 28.244 6.234 -0.017 1.00 89.55 37 A 1 ATOM 301 O O . LYS A 1 37 ? 28.612 5.910 -1.139 1.00 85.92 37 A 1 ATOM 302 C CB . LYS A 1 37 ? 28.988 4.417 1.559 1.00 87.36 37 A 1 ATOM 303 C CG . LYS A 1 37 ? 28.563 3.473 2.687 1.00 82.49 37 A 1 ATOM 304 C CD . LYS A 1 37 ? 29.822 2.846 3.282 1.00 77.39 37 A 1 ATOM 305 C CE . LYS A 1 37 ? 29.482 1.930 4.448 1.00 72.05 37 A 1 ATOM 306 N NZ . LYS A 1 37 ? 30.737 1.405 5.028 1.00 62.84 37 A 1 ATOM 307 N N . GLU A 1 38 ? 28.220 7.494 0.414 1.00 87.31 38 A 1 ATOM 308 C CA . GLU A 1 38 ? 28.582 8.626 -0.449 1.00 85.45 38 A 1 ATOM 309 C C . GLU A 1 38 ? 30.054 8.554 -0.882 1.00 82.97 38 A 1 ATOM 310 O O . GLU A 1 38 ? 30.362 8.715 -2.059 1.00 75.60 38 A 1 ATOM 311 C CB . GLU A 1 38 ? 28.270 9.940 0.285 1.00 81.67 38 A 1 ATOM 312 C CG . GLU A 1 38 ? 28.458 11.164 -0.634 1.00 73.59 38 A 1 ATOM 313 C CD . GLU A 1 38 ? 28.060 12.496 0.022 1.00 71.58 38 A 1 ATOM 314 O OE1 . GLU A 1 38 ? 27.731 13.426 -0.748 1.00 64.80 38 A 1 ATOM 315 O OE2 . GLU A 1 38 ? 28.114 12.589 1.262 1.00 65.89 38 A 1 ATOM 316 N N . CYS A 1 39 ? 30.961 8.234 0.051 1.00 80.26 39 A 1 ATOM 317 C CA . CYS A 1 39 ? 32.379 8.029 -0.235 1.00 79.76 39 A 1 ATOM 318 C C . CYS A 1 39 ? 32.953 6.951 0.694 1.00 80.99 39 A 1 ATOM 319 O O . CYS A 1 39 ? 33.037 7.135 1.900 1.00 75.24 39 A 1 ATOM 320 C CB . CYS A 1 39 ? 33.102 9.372 -0.081 1.00 73.78 39 A 1 ATOM 321 S SG . CYS A 1 39 ? 34.815 9.211 -0.639 1.00 63.57 39 A 1 ATOM 322 N N . GLU A 1 40 ? 33.353 5.796 0.132 1.00 76.17 40 A 1 ATOM 323 C CA . GLU A 1 40 ? 33.873 4.672 0.932 1.00 77.49 40 A 1 ATOM 324 C C . GLU A 1 40 ? 35.259 4.942 1.544 1.00 78.09 40 A 1 ATOM 325 O O . GLU A 1 40 ? 35.620 4.296 2.529 1.00 72.69 40 A 1 ATOM 326 C CB . GLU A 1 40 ? 33.918 3.382 0.096 1.00 74.37 40 A 1 ATOM 327 C CG . GLU A 1 40 ? 32.523 2.879 -0.318 1.00 67.30 40 A 1 ATOM 328 C CD . GLU A 1 40 ? 32.524 1.449 -0.890 1.00 63.40 40 A 1 ATOM 329 O OE1 . GLU A 1 40 ? 31.423 0.847 -0.916 1.00 58.59 40 A 1 ATOM 330 O OE2 . GLU A 1 40 ? 33.606 0.925 -1.245 1.00 58.94 40 A 1 ATOM 331 N N . ASP A 1 41 ? 36.018 5.896 0.969 1.00 80.66 41 A 1 ATOM 332 C CA . ASP A 1 41 ? 37.373 6.251 1.402 1.00 82.40 41 A 1 ATOM 333 C C . ASP A 1 41 ? 37.389 7.302 2.532 1.00 83.74 41 A 1 ATOM 334 O O . ASP A 1 41 ? 38.449 7.576 3.104 1.00 78.34 41 A 1 ATOM 335 C CB . ASP A 1 41 ? 38.187 6.727 0.185 1.00 79.72 41 A 1 ATOM 336 C CG . ASP A 1 41 ? 38.467 5.639 -0.866 1.00 73.00 41 A 1 ATOM 337 O OD1 . ASP A 1 41 ? 38.700 4.470 -0.480 1.00 68.70 41 A 1 ATOM 338 O OD2 . ASP A 1 41 ? 38.533 5.996 -2.064 1.00 69.82 41 A 1 ATOM 339 N N . ASP A 1 42 ? 36.238 7.885 2.877 1.00 81.61 42 A 1 ATOM 340 C CA . ASP A 1 42 ? 36.123 8.838 3.979 1.00 82.44 42 A 1 ATOM 341 C C . ASP A 1 42 ? 36.172 8.135 5.346 1.00 81.99 42 A 1 ATOM 342 O O . ASP A 1 42 ? 35.741 6.994 5.528 1.00 79.05 42 A 1 ATOM 343 C CB . ASP A 1 42 ? 34.867 9.713 3.832 1.00 79.18 42 A 1 ATOM 344 C CG . ASP A 1 42 ? 34.996 10.827 2.779 1.00 71.26 42 A 1 ATOM 345 O OD1 . ASP A 1 42 ? 36.139 11.133 2.362 1.00 67.72 42 A 1 ATOM 346 O OD2 . ASP A 1 42 ? 33.947 11.413 2.441 1.00 68.71 42 A 1 ATOM 347 N N . ILE A 1 43 ? 36.692 8.852 6.347 1.00 82.79 43 A 1 ATOM 348 C CA . ILE A 1 43 ? 36.822 8.334 7.725 1.00 83.24 43 A 1 ATOM 349 C C . ILE A 1 43 ? 35.442 8.022 8.330 1.00 82.69 43 A 1 ATOM 350 O O . ILE A 1 43 ? 35.299 7.054 9.077 1.00 77.54 43 A 1 ATOM 351 C CB . ILE A 1 43 ? 37.630 9.337 8.592 1.00 82.03 43 A 1 ATOM 352 C CG1 . ILE A 1 43 ? 39.063 9.504 8.027 1.00 74.27 43 A 1 ATOM 353 C CG2 . ILE A 1 43 ? 37.687 8.891 10.065 1.00 73.71 43 A 1 ATOM 354 C CD1 . ILE A 1 43 ? 39.889 10.613 8.700 1.00 67.21 43 A 1 ATOM 355 N N . GLU A 1 44 ? 34.429 8.828 7.987 1.00 81.51 44 A 1 ATOM 356 C CA . GLU A 1 44 ? 33.031 8.666 8.408 1.00 82.22 44 A 1 ATOM 357 C C . GLU A 1 44 ? 32.105 8.828 7.186 1.00 82.72 44 A 1 ATOM 358 O O . GLU A 1 44 ? 31.538 9.897 6.983 1.00 79.48 44 A 1 ATOM 359 C CB . GLU A 1 44 ? 32.687 9.656 9.539 1.00 78.72 44 A 1 ATOM 360 C CG . GLU A 1 44 ? 33.442 9.336 10.839 1.00 69.20 44 A 1 ATOM 361 C CD . GLU A 1 44 ? 33.035 10.207 12.044 1.00 65.28 44 A 1 ATOM 362 O OE1 . GLU A 1 44 ? 33.506 9.877 13.164 1.00 58.45 44 A 1 ATOM 363 O OE2 . GLU A 1 44 ? 32.292 11.193 11.867 1.00 60.19 44 A 1 ATOM 364 N N . PRO A 1 45 ? 31.967 7.791 6.327 1.00 83.55 45 A 1 ATOM 365 C CA . PRO A 1 45 ? 31.151 7.897 5.123 1.00 84.52 45 A 1 ATOM 366 C C . PRO A 1 45 ? 29.669 8.011 5.484 1.00 86.50 45 A 1 ATOM 367 O O . PRO A 1 45 ? 29.137 7.178 6.234 1.00 83.49 45 A 1 ATOM 368 C CB . PRO A 1 45 ? 31.450 6.636 4.316 1.00 80.25 45 A 1 ATOM 369 C CG . PRO A 1 45 ? 31.840 5.615 5.388 1.00 77.74 45 A 1 ATOM 370 C CD . PRO A 1 45 ? 32.540 6.465 6.447 1.00 82.00 45 A 1 ATOM 371 N N . ASP A 1 46 ? 28.976 8.991 4.890 1.00 87.32 46 A 1 ATOM 372 C CA . ASP A 1 46 ? 27.531 9.110 5.056 1.00 89.68 46 A 1 ATOM 373 C C . ASP A 1 46 ? 26.802 7.950 4.353 1.00 90.68 46 A 1 ATOM 374 O O . ASP A 1 46 ? 27.225 7.440 3.314 1.00 89.38 46 A 1 ATOM 375 C CB . ASP A 1 46 ? 27.010 10.489 4.610 1.00 88.25 46 A 1 ATOM 376 C CG . ASP A 1 46 ? 25.553 10.737 5.054 1.00 85.20 46 A 1 ATOM 377 O OD1 . ASP A 1 46 ? 25.049 9.996 5.937 1.00 80.74 46 A 1 ATOM 378 O OD2 . ASP A 1 46 ? 24.900 11.655 4.516 1.00 80.27 46 A 1 ATOM 379 N N . THR A 1 47 ? 25.707 7.483 4.957 1.00 91.59 47 A 1 ATOM 380 C CA . THR A 1 47 ? 24.908 6.354 4.464 1.00 92.89 47 A 1 ATOM 381 C C . THR A 1 47 ? 23.575 6.861 3.943 1.00 94.11 47 A 1 ATOM 382 O O . THR A 1 47 ? 22.765 7.382 4.712 1.00 93.34 47 A 1 ATOM 383 C CB . THR A 1 47 ? 24.697 5.286 5.544 1.00 91.59 47 A 1 ATOM 384 O OG1 . THR A 1 47 ? 25.938 4.791 5.985 1.00 85.47 47 A 1 ATOM 385 C CG2 . THR A 1 47 ? 23.914 4.075 5.025 1.00 84.70 47 A 1 ATOM 386 N N . GLY A 1 48 ? 23.321 6.643 2.642 1.00 93.71 48 A 1 ATOM 387 C CA . GLY A 1 48 ? 22.105 7.035 1.948 1.00 94.46 48 A 1 ATOM 388 C C . GLY A 1 48 ? 21.200 5.858 1.602 1.00 95.48 48 A 1 ATOM 389 O O . GLY A 1 48 ? 21.666 4.783 1.228 1.00 94.96 48 A 1 ATOM 390 N N . ILE A 1 49 ? 19.886 6.071 1.691 1.00 95.83 49 A 1 ATOM 391 C CA . ILE A 1 49 ? 18.851 5.134 1.232 1.00 96.33 49 A 1 ATOM 392 C C . ILE A 1 49 ? 18.610 5.380 -0.257 1.00 96.20 49 A 1 ATOM 393 O O . ILE A 1 49 ? 18.205 6.475 -0.636 1.00 95.55 49 A 1 ATOM 394 C CB . ILE A 1 49 ? 17.543 5.317 2.033 1.00 96.50 49 A 1 ATOM 395 C CG1 . ILE A 1 49 ? 17.764 5.136 3.550 1.00 95.51 49 A 1 ATOM 396 C CG2 . ILE A 1 49 ? 16.477 4.329 1.516 1.00 95.48 49 A 1 ATOM 397 C CD1 . ILE A 1 49 ? 16.548 5.514 4.408 1.00 94.56 49 A 1 ATOM 398 N N . ILE A 1 50 ? 18.803 4.362 -1.109 1.00 96.31 50 A 1 ATOM 399 C CA . ILE A 1 50 ? 18.578 4.466 -2.562 1.00 95.90 50 A 1 ATOM 400 C C . ILE A 1 50 ? 17.376 3.662 -3.049 1.00 95.99 50 A 1 ATOM 401 O O . ILE A 1 50 ? 16.788 4.021 -4.065 1.00 95.34 50 A 1 ATOM 402 C CB . ILE A 1 50 ? 19.847 4.114 -3.357 1.00 94.83 50 A 1 ATOM 403 C CG1 . ILE A 1 50 ? 20.367 2.695 -3.042 1.00 90.92 50 A 1 ATOM 404 C CG2 . ILE A 1 50 ? 20.913 5.194 -3.099 1.00 89.34 50 A 1 ATOM 405 C CD1 . ILE A 1 50 ? 21.443 2.224 -4.019 1.00 86.78 50 A 1 ATOM 406 N N . GLU A 1 51 ? 16.964 2.626 -2.316 1.00 94.89 51 A 1 ATOM 407 C CA . GLU A 1 51 ? 15.772 1.842 -2.637 1.00 95.74 51 A 1 ATOM 408 C C . GLU A 1 51 ? 14.926 1.566 -1.391 1.00 95.44 51 A 1 ATOM 409 O O . GLU A 1 51 ? 15.427 1.187 -0.329 1.00 94.90 51 A 1 ATOM 410 C CB . GLU A 1 51 ? 16.144 0.544 -3.367 1.00 95.37 51 A 1 ATOM 411 C CG . GLU A 1 51 ? 14.912 -0.158 -3.946 1.00 93.22 51 A 1 ATOM 412 C CD . GLU A 1 51 ? 15.266 -1.429 -4.717 1.00 92.35 51 A 1 ATOM 413 O OE1 . GLU A 1 51 ? 15.123 -2.518 -4.115 1.00 84.56 51 A 1 ATOM 414 O OE2 . GLU A 1 51 ? 15.602 -1.299 -5.912 1.00 85.48 51 A 1 ATOM 415 N N . ILE A 1 52 ? 13.610 1.743 -1.547 1.00 95.94 52 A 1 ATOM 416 C CA . ILE A 1 52 ? 12.609 1.499 -0.505 1.00 95.84 52 A 1 ATOM 417 C C . ILE A 1 52 ? 11.432 0.679 -1.033 1.00 95.67 52 A 1 ATOM 418 O O . ILE A 1 52 ? 11.126 0.671 -2.222 1.00 95.17 52 A 1 ATOM 419 C CB . ILE A 1 52 ? 12.113 2.816 0.130 1.00 95.80 52 A 1 ATOM 420 C CG1 . ILE A 1 52 ? 11.353 3.706 -0.880 1.00 94.47 52 A 1 ATOM 421 C CG2 . ILE A 1 52 ? 13.280 3.567 0.791 1.00 94.00 52 A 1 ATOM 422 C CD1 . ILE A 1 52 ? 10.624 4.884 -0.236 1.00 93.43 52 A 1 ATOM 423 N N . GLU A 1 53 ? 10.711 0.042 -0.116 1.00 93.88 53 A 1 ATOM 424 C CA . GLU A 1 53 ? 9.437 -0.637 -0.350 1.00 92.52 53 A 1 ATOM 425 C C . GLU A 1 53 ? 8.346 0.032 0.493 1.00 91.59 53 A 1 ATOM 426 O O . GLU A 1 53 ? 8.459 0.120 1.718 1.00 90.14 53 A 1 ATOM 427 C CB . GLU A 1 53 ? 9.608 -2.127 -0.024 1.00 90.80 53 A 1 ATOM 428 C CG . GLU A 1 53 ? 8.374 -2.985 -0.327 1.00 86.64 53 A 1 ATOM 429 C CD . GLU A 1 53 ? 8.582 -4.469 0.049 1.00 85.52 53 A 1 ATOM 430 O OE1 . GLU A 1 53 ? 7.565 -5.188 0.185 1.00 76.47 53 A 1 ATOM 431 O OE2 . GLU A 1 53 ? 9.750 -4.920 0.204 1.00 77.97 53 A 1 ATOM 432 N N . LEU A 1 54 ? 7.285 0.518 -0.160 1.00 91.66 54 A 1 ATOM 433 C CA . LEU A 1 54 ? 6.116 1.073 0.518 1.00 90.35 54 A 1 ATOM 434 C C . LEU A 1 54 ? 5.246 -0.040 1.118 1.00 87.98 54 A 1 ATOM 435 O O . LEU A 1 54 ? 5.344 -1.213 0.770 1.00 85.22 54 A 1 ATOM 436 C CB . LEU A 1 54 ? 5.312 1.964 -0.446 1.00 91.17 54 A 1 ATOM 437 C CG . LEU A 1 54 ? 6.071 3.160 -1.036 1.00 91.27 54 A 1 ATOM 438 C CD1 . LEU A 1 54 ? 5.098 4.012 -1.860 1.00 88.17 54 A 1 ATOM 439 C CD2 . LEU A 1 54 ? 6.685 4.062 0.035 1.00 88.30 54 A 1 ATOM 440 N N . SER A 1 55 ? 4.336 0.334 2.021 1.00 86.60 55 A 1 ATOM 441 C CA . SER A 1 55 ? 3.470 -0.632 2.710 1.00 82.13 55 A 1 ATOM 442 C C . SER A 1 55 ? 2.495 -1.395 1.805 1.00 80.42 55 A 1 ATOM 443 O O . SER A 1 55 ? 1.938 -2.398 2.243 1.00 75.47 55 A 1 ATOM 444 C CB . SER A 1 55 ? 2.687 0.067 3.824 1.00 79.38 55 A 1 ATOM 445 O OG . SER A 1 55 ? 1.852 1.101 3.339 1.00 72.01 55 A 1 ATOM 446 N N . ASP A 1 56 ? 2.270 -0.924 0.576 1.00 82.45 56 A 1 ATOM 447 C CA . ASP A 1 56 ? 1.476 -1.583 -0.466 1.00 81.09 56 A 1 ATOM 448 C C . ASP A 1 56 ? 2.309 -2.521 -1.361 1.00 81.20 56 A 1 ATOM 449 O O . ASP A 1 56 ? 1.766 -3.165 -2.255 1.00 77.97 56 A 1 ATOM 450 C CB . ASP A 1 56 ? 0.727 -0.512 -1.285 1.00 80.29 56 A 1 ATOM 451 C CG . ASP A 1 56 ? 1.644 0.439 -2.068 1.00 78.63 56 A 1 ATOM 452 O OD1 . ASP A 1 56 ? 2.882 0.300 -1.950 1.00 76.56 56 A 1 ATOM 453 O OD2 . ASP A 1 56 ? 1.094 1.321 -2.761 1.00 75.22 56 A 1 ATOM 454 N N . GLY A 1 57 ? 3.620 -2.625 -1.109 1.00 82.44 57 A 1 ATOM 455 C CA . GLY A 1 57 ? 4.569 -3.436 -1.865 1.00 82.98 57 A 1 ATOM 456 C C . GLY A 1 57 ? 5.187 -2.723 -3.071 1.00 86.86 57 A 1 ATOM 457 O O . GLY A 1 57 ? 5.968 -3.337 -3.799 1.00 84.90 57 A 1 ATOM 458 N N . LYS A 1 58 ? 4.867 -1.442 -3.310 1.00 85.20 58 A 1 ATOM 459 C CA . LYS A 1 58 ? 5.515 -0.658 -4.366 1.00 88.65 58 A 1 ATOM 460 C C . LYS A 1 58 ? 6.976 -0.401 -3.998 1.00 91.29 58 A 1 ATOM 461 O O . LYS A 1 58 ? 7.266 0.087 -2.908 1.00 90.98 58 A 1 ATOM 462 C CB . LYS A 1 58 ? 4.737 0.646 -4.604 1.00 87.95 58 A 1 ATOM 463 C CG . LYS A 1 58 ? 5.333 1.480 -5.749 1.00 85.95 58 A 1 ATOM 464 C CD . LYS A 1 58 ? 4.531 2.772 -5.955 1.00 83.20 58 A 1 ATOM 465 C CE . LYS A 1 58 ? 5.183 3.618 -7.052 1.00 77.27 58 A 1 ATOM 466 N NZ . LYS A 1 58 ? 4.482 4.904 -7.245 1.00 70.01 58 A 1 ATOM 467 N N . ILE A 1 59 ? 7.886 -0.682 -4.946 1.00 92.37 59 A 1 ATOM 468 C CA . ILE A 1 59 ? 9.314 -0.382 -4.823 1.00 93.62 59 A 1 ATOM 469 C C . ILE A 1 59 ? 9.592 0.966 -5.491 1.00 94.07 59 A 1 ATOM 470 O O . ILE A 1 59 ? 9.064 1.252 -6.565 1.00 92.64 59 A 1 ATOM 471 C CB . ILE A 1 59 ? 10.166 -1.542 -5.385 1.00 93.07 59 A 1 ATOM 472 C CG1 . ILE A 1 59 ? 9.866 -2.840 -4.595 1.00 90.85 59 A 1 ATOM 473 C CG2 . ILE A 1 59 ? 11.665 -1.200 -5.321 1.00 90.47 59 A 1 ATOM 474 C CD1 . ILE A 1 59 ? 10.534 -4.098 -5.160 1.00 83.13 59 A 1 ATOM 475 N N . ILE A 1 60 ? 10.408 1.798 -4.837 1.00 94.86 60 A 1 ATOM 476 C CA . ILE A 1 60 ? 10.910 3.070 -5.356 1.00 95.33 60 A 1 ATOM 477 C C . ILE A 1 60 ? 12.427 3.031 -5.265 1.00 95.44 60 A 1 ATOM 478 O O . ILE A 1 60 ? 12.965 2.885 -4.170 1.00 94.53 60 A 1 ATOM 479 C CB . ILE A 1 60 ? 10.314 4.264 -4.575 1.00 95.43 60 A 1 ATOM 480 C CG1 . ILE A 1 60 ? 8.787 4.349 -4.817 1.00 94.33 60 A 1 ATOM 481 C CG2 . ILE A 1 60 ? 11.011 5.581 -4.968 1.00 94.40 60 A 1 ATOM 482 C CD1 . ILE A 1 60 ? 8.070 5.428 -3.996 1.00 92.10 60 A 1 ATOM 483 N N . ASN A 1 61 ? 13.104 3.210 -6.404 1.00 95.44 61 A 1 ATOM 484 C CA . ASN A 1 61 ? 14.544 3.373 -6.502 1.00 95.14 61 A 1 ATOM 485 C C . ASN A 1 61 ? 14.856 4.776 -7.039 1.00 94.61 61 A 1 ATOM 486 O O . ASN A 1 61 ? 14.205 5.255 -7.973 1.00 93.43 61 A 1 ATOM 487 C CB . ASN A 1 61 ? 15.111 2.239 -7.371 1.00 94.51 61 A 1 ATOM 488 C CG . ASN A 1 61 ? 16.625 2.201 -7.361 1.00 92.39 61 A 1 ATOM 489 O OD1 . ASN A 1 61 ? 17.282 3.155 -7.749 1.00 84.97 61 A 1 ATOM 490 N ND2 . ASN A 1 61 ? 17.213 1.118 -6.910 1.00 84.38 61 A 1 ATOM 491 N N . ILE A 1 62 ? 15.834 5.463 -6.441 1.00 95.05 62 A 1 ATOM 492 C CA . ILE A 1 62 ? 16.169 6.836 -6.822 1.00 94.71 62 A 1 ATOM 493 C C . ILE A 1 62 ? 16.646 6.943 -8.278 1.00 93.87 62 A 1 ATOM 494 O O . ILE A 1 62 ? 16.369 7.938 -8.948 1.00 92.03 62 A 1 ATOM 495 C CB . ILE A 1 62 ? 17.173 7.439 -5.820 1.00 94.25 62 A 1 ATOM 496 C CG1 . ILE A 1 62 ? 17.205 8.969 -6.015 1.00 89.10 62 A 1 ATOM 497 C CG2 . ILE A 1 62 ? 18.570 6.809 -5.923 1.00 88.20 62 A 1 ATOM 498 C CD1 . ILE A 1 62 ? 17.870 9.719 -4.873 1.00 85.36 62 A 1 ATOM 499 N N . TYR A 1 63 ? 17.293 5.890 -8.802 1.00 93.53 63 A 1 ATOM 500 C CA . TYR A 1 63 ? 17.817 5.854 -10.170 1.00 92.51 63 A 1 ATOM 501 C C . TYR A 1 63 ? 16.740 5.622 -11.245 1.00 92.69 63 A 1 ATOM 502 O O . TYR A 1 63 ? 17.023 5.785 -12.432 1.00 90.45 63 A 1 ATOM 503 C CB . TYR A 1 63 ? 18.942 4.818 -10.247 1.00 91.93 63 A 1 ATOM 504 C CG . TYR A 1 63 ? 20.072 5.044 -9.251 1.00 90.82 63 A 1 ATOM 505 C CD1 . TYR A 1 63 ? 20.727 6.293 -9.190 1.00 84.98 63 A 1 ATOM 506 C CD2 . TYR A 1 63 ? 20.468 4.010 -8.381 1.00 85.10 63 A 1 ATOM 507 C CE1 . TYR A 1 63 ? 21.761 6.507 -8.255 1.00 82.95 63 A 1 ATOM 508 C CE2 . TYR A 1 63 ? 21.504 4.219 -7.446 1.00 83.09 63 A 1 ATOM 509 C CZ . TYR A 1 63 ? 22.148 5.470 -7.381 1.00 84.89 63 A 1 ATOM 510 O OH . TYR A 1 63 ? 23.138 5.680 -6.473 1.00 82.18 63 A 1 ATOM 511 N N . ASP A 1 64 ? 15.484 5.332 -10.865 1.00 92.88 64 A 1 ATOM 512 C CA . ASP A 1 64 ? 14.362 5.215 -11.811 1.00 91.71 64 A 1 ATOM 513 C C . ASP A 1 64 ? 13.945 6.564 -12.427 1.00 91.91 64 A 1 ATOM 514 O O . ASP A 1 64 ? 13.122 6.618 -13.354 1.00 89.25 64 A 1 ATOM 515 C CB . ASP A 1 64 ? 13.145 4.599 -11.107 1.00 90.57 64 A 1 ATOM 516 C CG . ASP A 1 64 ? 13.301 3.126 -10.739 1.00 86.85 64 A 1 ATOM 517 O OD1 . ASP A 1 64 ? 14.094 2.428 -11.411 1.00 82.93 64 A 1 ATOM 518 O OD2 . ASP A 1 64 ? 12.516 2.695 -9.861 1.00 82.42 64 A 1 ATOM 519 N N . LYS A 1 65 ? 14.465 7.684 -11.900 1.00 91.85 65 A 1 ATOM 520 C CA . LYS A 1 65 ? 14.136 9.047 -12.333 1.00 91.65 65 A 1 ATOM 521 C C . LYS A 1 65 ? 15.402 9.868 -12.607 1.00 92.42 65 A 1 ATOM 522 O O . LYS A 1 65 ? 16.419 9.652 -11.960 1.00 90.48 65 A 1 ATOM 523 C CB . LYS A 1 65 ? 13.258 9.740 -11.271 1.00 90.84 65 A 1 ATOM 524 C CG . LYS A 1 65 ? 11.920 9.047 -10.985 1.00 90.42 65 A 1 ATOM 525 C CD . LYS A 1 65 ? 10.993 8.981 -12.200 1.00 86.81 65 A 1 ATOM 526 C CE . LYS A 1 65 ? 9.682 8.331 -11.763 1.00 84.98 65 A 1 ATOM 527 N NZ . LYS A 1 65 ? 8.761 8.129 -12.897 1.00 76.46 65 A 1 ATOM 528 N N . PRO A 1 66 ? 15.333 10.854 -13.532 1.00 92.62 66 A 1 ATOM 529 C CA . PRO A 1 66 ? 16.442 11.761 -13.819 1.00 92.45 66 A 1 ATOM 530 C C . PRO A 1 66 ? 16.551 12.837 -12.726 1.00 92.41 66 A 1 ATOM 531 O O . PRO A 1 66 ? 16.252 14.007 -12.949 1.00 89.22 66 A 1 ATOM 532 C CB . PRO A 1 66 ? 16.129 12.318 -15.213 1.00 91.55 66 A 1 ATOM 533 C CG . PRO A 1 66 ? 14.606 12.395 -15.205 1.00 90.21 66 A 1 ATOM 534 C CD . PRO A 1 66 ? 14.200 11.156 -14.402 1.00 92.42 66 A 1 ATOM 535 N N . ILE A 1 67 ? 16.928 12.428 -11.523 1.00 91.68 67 A 1 ATOM 536 C CA . ILE A 1 67 ? 17.048 13.271 -10.332 1.00 91.99 67 A 1 ATOM 537 C C . ILE A 1 67 ? 18.528 13.489 -9.989 1.00 92.19 67 A 1 ATOM 538 O O . ILE A 1 67 ? 19.366 12.633 -10.255 1.00 90.15 67 A 1 ATOM 539 C CB . ILE A 1 67 ? 16.209 12.655 -9.190 1.00 90.27 67 A 1 ATOM 540 C CG1 . ILE A 1 67 ? 16.081 13.626 -8.005 1.00 80.75 67 A 1 ATOM 541 C CG2 . ILE A 1 67 ? 16.770 11.292 -8.741 1.00 80.99 67 A 1 ATOM 542 C CD1 . ILE A 1 67 ? 15.007 13.204 -6.998 1.00 77.73 67 A 1 ATOM 543 N N . THR A 1 68 ? 18.866 14.652 -9.426 1.00 92.52 68 A 1 ATOM 544 C CA . THR A 1 68 ? 20.247 15.017 -9.060 1.00 92.45 68 A 1 ATOM 545 C C . THR A 1 68 ? 20.628 14.624 -7.633 1.00 92.47 68 A 1 ATOM 546 O O . THR A 1 68 ? 21.783 14.788 -7.255 1.00 90.15 68 A 1 ATOM 547 C CB . THR A 1 68 ? 20.481 16.521 -9.238 1.00 91.48 68 A 1 ATOM 548 O OG1 . THR A 1 68 ? 19.519 17.248 -8.504 1.00 85.90 68 A 1 ATOM 549 C CG2 . THR A 1 68 ? 20.359 16.947 -10.703 1.00 83.29 68 A 1 ATOM 550 N N . TYR A 1 69 ? 19.671 14.155 -6.832 1.00 92.32 69 A 1 ATOM 551 C CA . TYR A 1 69 ? 19.944 13.674 -5.480 1.00 92.43 69 A 1 ATOM 552 C C . TYR A 1 69 ? 20.676 12.331 -5.540 1.00 92.83 69 A 1 ATOM 553 O O . TYR A 1 69 ? 20.337 11.481 -6.359 1.00 91.14 69 A 1 ATOM 554 C CB . TYR A 1 69 ? 18.639 13.556 -4.684 1.00 91.39 69 A 1 ATOM 555 C CG . TYR A 1 69 ? 17.835 14.841 -4.559 1.00 89.52 69 A 1 ATOM 556 C CD1 . TYR A 1 69 ? 18.436 16.010 -4.057 1.00 83.94 69 A 1 ATOM 557 C CD2 . TYR A 1 69 ? 16.480 14.867 -4.938 1.00 83.82 69 A 1 ATOM 558 C CE1 . TYR A 1 69 ? 17.690 17.199 -3.938 1.00 81.00 69 A 1 ATOM 559 C CE2 . TYR A 1 69 ? 15.731 16.052 -4.816 1.00 81.73 69 A 1 ATOM 560 C CZ . TYR A 1 69 ? 16.335 17.220 -4.318 1.00 82.42 69 A 1 ATOM 561 O OH . TYR A 1 69 ? 15.614 18.365 -4.207 1.00 80.85 69 A 1 ATOM 562 N N . TRP A 1 70 ? 21.660 12.141 -4.670 1.00 92.78 70 A 1 ATOM 563 C CA . TRP A 1 70 ? 22.430 10.892 -4.595 1.00 93.21 70 A 1 ATOM 564 C C . TRP A 1 70 ? 21.715 9.793 -3.789 1.00 93.91 70 A 1 ATOM 565 O O . TRP A 1 70 ? 21.960 8.608 -4.005 1.00 92.96 70 A 1 ATOM 566 C CB . TRP A 1 70 ? 23.807 11.218 -4.015 1.00 92.23 70 A 1 ATOM 567 C CG . TRP A 1 70 ? 23.824 11.561 -2.557 1.00 91.70 70 A 1 ATOM 568 C CD1 . TRP A 1 70 ? 23.584 12.776 -2.007 1.00 90.33 70 A 1 ATOM 569 C CD2 . TRP A 1 70 ? 24.114 10.670 -1.439 1.00 91.62 70 A 1 ATOM 570 N NE1 . TRP A 1 70 ? 23.711 12.707 -0.631 1.00 88.37 70 A 1 ATOM 571 C CE2 . TRP A 1 70 ? 24.052 11.431 -0.229 1.00 90.14 70 A 1 ATOM 572 C CE3 . TRP A 1 70 ? 24.446 9.307 -1.328 1.00 88.73 70 A 1 ATOM 573 C CZ2 . TRP A 1 70 ? 24.325 10.867 1.025 1.00 88.27 70 A 1 ATOM 574 C CZ3 . TRP A 1 70 ? 24.718 8.731 -0.073 1.00 88.50 70 A 1 ATOM 575 C CH2 . TRP A 1 70 ? 24.663 9.508 1.098 1.00 87.73 70 A 1 ATOM 576 N N . CYS A 1 71 ? 20.779 10.183 -2.908 1.00 94.30 71 A 1 ATOM 577 C CA . CYS A 1 71 ? 19.932 9.276 -2.135 1.00 94.87 71 A 1 ATOM 578 C C . CYS A 1 71 ? 18.555 9.896 -1.846 1.00 95.11 71 A 1 ATOM 579 O O . CYS A 1 71 ? 18.342 11.096 -2.042 1.00 94.75 71 A 1 ATOM 580 C CB . CYS A 1 71 ? 20.672 8.883 -0.846 1.00 94.40 71 A 1 ATOM 581 S SG . CYS A 1 71 ? 20.827 10.295 0.276 1.00 93.80 71 A 1 ATOM 582 N N . LEU A 1 72 ? 17.591 9.077 -1.387 1.00 95.72 72 A 1 ATOM 583 C CA . LEU A 1 72 ? 16.264 9.522 -0.938 1.00 95.78 72 A 1 ATOM 584 C C . LEU A 1 72 ? 16.355 10.203 0.435 1.00 95.94 72 A 1 ATOM 585 O O . LEU A 1 72 ? 15.837 11.297 0.610 1.00 95.25 72 A 1 ATOM 586 C CB . LEU A 1 72 ? 15.300 8.322 -0.883 1.00 95.76 72 A 1 ATOM 587 C CG . LEU A 1 72 ? 15.018 7.632 -2.229 1.00 95.09 72 A 1 ATOM 588 C CD1 . LEU A 1 72 ? 14.270 6.315 -1.997 1.00 92.51 72 A 1 ATOM 589 C CD2 . LEU A 1 72 ? 14.160 8.501 -3.149 1.00 92.70 72 A 1 ATOM 590 N N . TRP A 1 73 ? 17.012 9.548 1.387 1.00 96.25 73 A 1 ATOM 591 C CA . TRP A 1 73 ? 17.339 10.073 2.719 1.00 96.32 73 A 1 ATOM 592 C C . TRP A 1 73 ? 18.687 9.523 3.178 1.00 96.27 73 A 1 ATOM 593 O O . TRP A 1 73 ? 19.046 8.401 2.828 1.00 95.43 73 A 1 ATOM 594 C CB . TRP A 1 73 ? 16.264 9.691 3.749 1.00 96.13 73 A 1 ATOM 595 C CG . TRP A 1 73 ? 14.904 10.257 3.497 1.00 95.94 73 A 1 ATOM 596 C CD1 . TRP A 1 73 ? 14.481 11.493 3.851 1.00 93.57 73 A 1 ATOM 597 C CD2 . TRP A 1 73 ? 13.797 9.643 2.779 1.00 95.52 73 A 1 ATOM 598 N NE1 . TRP A 1 73 ? 13.195 11.694 3.392 1.00 93.71 73 A 1 ATOM 599 C CE2 . TRP A 1 73 ? 12.729 10.582 2.711 1.00 95.14 73 A 1 ATOM 600 C CE3 . TRP A 1 73 ? 13.602 8.393 2.153 1.00 94.34 73 A 1 ATOM 601 C CZ2 . TRP A 1 73 ? 11.530 10.306 2.042 1.00 93.38 73 A 1 ATOM 602 C CZ3 . TRP A 1 73 ? 12.400 8.102 1.482 1.00 92.51 73 A 1 ATOM 603 C CH2 . TRP A 1 73 ? 11.370 9.052 1.418 1.00 92.15 73 A 1 ATOM 604 N N . ASN A 1 74 ? 19.402 10.280 4.018 1.00 95.58 74 A 1 ATOM 605 C CA . ASN A 1 74 ? 20.695 9.910 4.584 1.00 95.25 74 A 1 ATOM 606 C C . ASN A 1 74 ? 20.665 9.891 6.124 1.00 95.46 74 A 1 ATOM 607 O O . ASN A 1 74 ? 19.611 10.039 6.751 1.00 95.02 74 A 1 ATOM 608 C CB . ASN A 1 74 ? 21.763 10.851 3.998 1.00 94.03 74 A 1 ATOM 609 C CG . ASN A 1 74 ? 21.652 12.289 4.468 1.00 93.12 74 A 1 ATOM 610 O OD1 . ASN A 1 74 ? 20.729 12.673 5.167 1.00 87.65 74 A 1 ATOM 611 N ND2 . ASN A 1 74 ? 22.603 13.110 4.110 1.00 87.01 74 A 1 ATOM 612 N N . THR A 1 75 ? 21.831 9.687 6.740 1.00 94.48 75 A 1 ATOM 613 C CA . THR A 1 75 ? 21.966 9.665 8.208 1.00 94.03 75 A 1 ATOM 614 C C . THR A 1 75 ? 21.496 10.980 8.841 1.00 94.48 75 A 1 ATOM 615 O O . THR A 1 75 ? 20.740 10.949 9.814 1.00 93.76 75 A 1 ATOM 616 C CB . THR A 1 75 ? 23.419 9.371 8.609 1.00 92.62 75 A 1 ATOM 617 O OG1 . THR A 1 75 ? 23.875 8.211 7.951 1.00 87.47 75 A 1 ATOM 618 C CG2 . THR A 1 75 ? 23.559 9.105 10.108 1.00 86.04 75 A 1 ATOM 619 N N . GLU A 1 76 ? 21.832 12.124 8.237 1.00 93.75 76 A 1 ATOM 620 C CA . GLU A 1 76 ? 21.412 13.450 8.711 1.00 93.66 76 A 1 ATOM 621 C C . GLU A 1 76 ? 19.882 13.604 8.698 1.00 94.64 76 A 1 ATOM 622 O O . GLU A 1 76 ? 19.302 14.151 9.636 1.00 94.04 76 A 1 ATOM 623 C CB . GLU A 1 76 ? 22.090 14.532 7.852 1.00 92.17 76 A 1 ATOM 624 C CG . GLU A 1 76 ? 21.867 15.946 8.423 1.00 82.86 76 A 1 ATOM 625 C CD . GLU A 1 76 ? 22.533 17.072 7.615 1.00 78.98 76 A 1 ATOM 626 O OE1 . GLU A 1 76 ? 22.446 18.236 8.084 1.00 69.84 76 A 1 ATOM 627 O OE2 . GLU A 1 76 ? 23.095 16.802 6.534 1.00 70.04 76 A 1 ATOM 628 N N . SER A 1 77 ? 19.188 13.032 7.702 1.00 95.04 77 A 1 ATOM 629 C CA . SER A 1 77 ? 17.718 13.050 7.620 1.00 95.38 77 A 1 ATOM 630 C C . SER A 1 77 ? 17.038 12.351 8.806 1.00 95.94 77 A 1 ATOM 631 O O . SER A 1 77 ? 15.915 12.700 9.184 1.00 95.63 77 A 1 ATOM 632 C CB . SER A 1 77 ? 17.248 12.375 6.330 1.00 95.11 77 A 1 ATOM 633 O OG . SER A 1 77 ? 17.839 12.954 5.177 1.00 92.01 77 A 1 ATOM 634 N N . VAL A 1 78 ? 17.700 11.358 9.417 1.00 95.33 78 A 1 ATOM 635 C CA . VAL A 1 78 ? 17.223 10.734 10.664 1.00 95.10 78 A 1 ATOM 636 C C . VAL A 1 78 ? 17.486 11.660 11.850 1.00 95.36 78 A 1 ATOM 637 O O . VAL A 1 78 ? 16.599 11.877 12.675 1.00 94.50 78 A 1 ATOM 638 C CB . VAL A 1 78 ? 17.878 9.357 10.899 1.00 94.69 78 A 1 ATOM 639 C CG1 . VAL A 1 78 ? 17.360 8.685 12.175 1.00 92.15 78 A 1 ATOM 640 C CG2 . VAL A 1 78 ? 17.616 8.397 9.737 1.00 92.07 78 A 1 ATOM 641 N N . GLU A 1 79 ? 18.682 12.238 11.927 1.00 94.07 79 A 1 ATOM 642 C CA . GLU A 1 79 ? 19.105 13.102 13.036 1.00 93.65 79 A 1 ATOM 643 C C . GLU A 1 79 ? 18.290 14.400 13.113 1.00 93.68 79 A 1 ATOM 644 O O . GLU A 1 79 ? 17.922 14.847 14.202 1.00 92.55 79 A 1 ATOM 645 C CB . GLU A 1 79 ? 20.591 13.437 12.884 1.00 93.30 79 A 1 ATOM 646 C CG . GLU A 1 79 ? 21.482 12.198 13.081 1.00 90.19 79 A 1 ATOM 647 C CD . GLU A 1 79 ? 22.982 12.487 12.892 1.00 87.02 79 A 1 ATOM 648 O OE1 . GLU A 1 79 ? 23.758 11.522 13.098 1.00 80.29 79 A 1 ATOM 649 O OE2 . GLU A 1 79 ? 23.338 13.653 12.611 1.00 80.92 79 A 1 ATOM 650 N N . ASN A 1 80 ? 17.945 14.981 11.955 1.00 94.46 80 A 1 ATOM 651 C CA . ASN A 1 80 ? 17.129 16.190 11.876 1.00 94.22 80 A 1 ATOM 652 C C . ASN A 1 80 ? 15.614 15.905 11.974 1.00 95.18 80 A 1 ATOM 653 O O . ASN A 1 80 ? 14.808 16.841 12.046 1.00 93.03 80 A 1 ATOM 654 C CB . ASN A 1 80 ? 17.557 17.003 10.638 1.00 91.92 80 A 1 ATOM 655 C CG . ASN A 1 80 ? 17.080 16.446 9.312 1.00 85.00 80 A 1 ATOM 656 O OD1 . ASN A 1 80 ? 16.185 15.627 9.242 1.00 74.98 80 A 1 ATOM 657 N ND2 . ASN A 1 80 ? 17.603 16.941 8.207 1.00 75.23 80 A 1 ATOM 658 N N . GLY A 1 81 ? 15.211 14.621 12.027 1.00 94.48 81 A 1 ATOM 659 C CA . GLY A 1 81 ? 13.839 14.155 12.189 1.00 94.70 81 A 1 ATOM 660 C C . GLY A 1 81 ? 12.973 14.257 10.933 1.00 95.53 81 A 1 ATOM 661 O O . GLY A 1 81 ? 11.750 14.313 11.063 1.00 93.93 81 A 1 ATOM 662 N N . GLU A 1 82 ? 13.552 14.314 9.722 1.00 95.04 82 A 1 ATOM 663 C CA . GLU A 1 82 ? 12.792 14.201 8.462 1.00 95.13 82 A 1 ATOM 664 C C . GLU A 1 82 ? 12.145 12.827 8.325 1.00 95.34 82 A 1 ATOM 665 O O . GLU A 1 82 ? 10.978 12.727 7.943 1.00 94.36 82 A 1 ATOM 666 C CB . GLU A 1 82 ? 13.701 14.434 7.250 1.00 94.84 82 A 1 ATOM 667 C CG . GLU A 1 82 ? 13.960 15.923 7.034 1.00 90.35 82 A 1 ATOM 668 C CD . GLU A 1 82 ? 15.068 16.188 6.008 1.00 88.01 82 A 1 ATOM 669 O OE1 . GLU A 1 82 ? 15.739 17.230 6.193 1.00 78.16 82 A 1 ATOM 670 O OE2 . GLU A 1 82 ? 15.262 15.340 5.116 1.00 79.29 82 A 1 ATOM 671 N N . ILE A 1 83 ? 12.891 11.782 8.697 1.00 96.05 83 A 1 ATOM 672 C CA . ILE A 1 83 ? 12.389 10.422 8.841 1.00 96.14 83 A 1 ATOM 673 C C . ILE A 1 83 ? 12.659 9.913 10.259 1.00 96.00 83 A 1 ATOM 674 O O . ILE A 1 83 ? 13.641 10.283 10.897 1.00 95.56 83 A 1 ATOM 675 C CB . ILE A 1 83 ? 12.949 9.476 7.752 1.00 96.10 83 A 1 ATOM 676 C CG1 . ILE A 1 83 ? 14.483 9.320 7.834 1.00 95.05 83 A 1 ATOM 677 C CG2 . ILE A 1 83 ? 12.501 9.951 6.359 1.00 94.62 83 A 1 ATOM 678 C CD1 . ILE A 1 83 ? 15.061 8.260 6.888 1.00 94.25 83 A 1 ATOM 679 N N . GLU A 1 84 ? 11.788 9.043 10.769 1.00 94.97 84 A 1 ATOM 680 C CA . GLU A 1 84 ? 11.972 8.377 12.063 1.00 94.24 84 A 1 ATOM 681 C C . GLU A 1 84 ? 11.872 6.859 11.906 1.00 93.62 84 A 1 ATOM 682 O O . GLU A 1 84 ? 11.002 6.351 11.197 1.00 92.35 84 A 1 ATOM 683 C CB . GLU A 1 84 ? 10.986 8.913 13.118 1.00 92.33 84 A 1 ATOM 684 C CG . GLU A 1 84 ? 9.512 8.576 12.820 1.00 87.15 84 A 1 ATOM 685 C CD . GLU A 1 84 ? 8.494 9.127 13.830 1.00 85.45 84 A 1 ATOM 686 O OE1 . GLU A 1 84 ? 7.272 8.906 13.591 1.00 76.11 84 A 1 ATOM 687 O OE2 . GLU A 1 84 ? 8.885 9.815 14.792 1.00 77.30 84 A 1 ATOM 688 N N . GLU A 1 85 ? 12.746 6.122 12.603 1.00 93.35 85 A 1 ATOM 689 C CA . GLU A 1 85 ? 12.649 4.664 12.676 1.00 92.84 85 A 1 ATOM 690 C C . GLU A 1 85 ? 11.367 4.277 13.415 1.00 91.79 85 A 1 ATOM 691 O O . GLU A 1 85 ? 11.103 4.717 14.537 1.00 89.47 85 A 1 ATOM 692 C CB . GLU A 1 85 ? 13.909 4.071 13.335 1.00 92.03 85 A 1 ATOM 693 C CG . GLU A 1 85 ? 13.938 2.530 13.270 1.00 89.41 85 A 1 ATOM 694 C CD . GLU A 1 85 ? 15.247 1.905 13.803 1.00 88.41 85 A 1 ATOM 695 O OE1 . GLU A 1 85 ? 15.270 0.687 14.109 1.00 80.94 85 A 1 ATOM 696 O OE2 . GLU A 1 85 ? 16.322 2.552 13.831 1.00 82.15 85 A 1 ATOM 697 N N . VAL A 1 86 ? 10.555 3.432 12.783 1.00 90.85 86 A 1 ATOM 698 C CA . VAL A 1 86 ? 9.381 2.843 13.419 1.00 88.81 86 A 1 ATOM 699 C C . VAL A 1 86 ? 9.683 1.389 13.746 1.00 87.12 86 A 1 ATOM 700 O O . VAL A 1 86 ? 10.319 0.683 12.970 1.00 83.13 86 A 1 ATOM 701 C CB . VAL A 1 86 ? 8.089 3.024 12.593 1.00 86.85 86 A 1 ATOM 702 C CG1 . VAL A 1 86 ? 7.734 4.511 12.482 1.00 79.83 86 A 1 ATOM 703 C CG2 . VAL A 1 86 ? 8.148 2.439 11.184 1.00 79.58 86 A 1 ATOM 704 N N . VAL A 1 87 ? 9.220 0.941 14.914 1.00 82.54 87 A 1 ATOM 705 C CA . VAL A 1 87 ? 9.269 -0.481 15.269 1.00 77.58 87 A 1 ATOM 706 C C . VAL A 1 87 ? 8.662 -1.252 14.110 1.00 74.23 87 A 1 ATOM 707 O O . VAL A 1 87 ? 7.548 -0.938 13.681 1.00 67.36 87 A 1 ATOM 708 C CB . VAL A 1 87 ? 8.524 -0.785 16.580 1.00 73.58 87 A 1 ATOM 709 C CG1 . VAL A 1 87 ? 8.632 -2.275 16.955 1.00 65.56 87 A 1 ATOM 710 C CG2 . VAL A 1 87 ? 9.116 0.031 17.739 1.00 67.69 87 A 1 ATOM 711 N N . GLU A 1 88 ? 9.447 -2.214 13.584 1.00 63.35 88 A 1 ATOM 712 C CA . GLU A 1 88 ? 9.074 -3.068 12.468 1.00 60.87 88 A 1 ATOM 713 C C . GLU A 1 88 ? 7.592 -3.410 12.615 1.00 60.40 88 A 1 ATOM 714 O O . GLU A 1 88 ? 7.159 -3.877 13.674 1.00 55.46 88 A 1 ATOM 715 C CB . GLU A 1 88 ? 9.973 -4.318 12.504 1.00 55.30 88 A 1 ATOM 716 C CG . GLU A 1 88 ? 9.980 -5.119 11.196 1.00 48.21 88 A 1 ATOM 717 C CD . GLU A 1 88 ? 10.985 -6.288 11.236 1.00 44.44 88 A 1 ATOM 718 O OE1 . GLU A 1 88 ? 11.459 -6.673 10.147 1.00 41.69 88 A 1 ATOM 719 O OE2 . GLU A 1 88 ? 11.241 -6.811 12.348 1.00 41.19 88 A 1 ATOM 720 N N . ARG A 1 89 ? 6.805 -3.121 11.565 1.00 59.99 89 A 1 ATOM 721 C CA . ARG A 1 89 ? 5.475 -3.712 11.467 1.00 57.16 89 A 1 ATOM 722 C C . ARG A 1 89 ? 5.729 -5.211 11.337 1.00 56.76 89 A 1 ATOM 723 O O . ARG A 1 89 ? 5.734 -5.749 10.242 1.00 52.18 89 A 1 ATOM 724 C CB . ARG A 1 89 ? 4.660 -3.162 10.277 1.00 51.67 89 A 1 ATOM 725 C CG . ARG A 1 89 ? 4.119 -1.735 10.483 1.00 46.27 89 A 1 ATOM 726 C CD . ARG A 1 89 ? 3.221 -1.365 9.291 1.00 43.36 89 A 1 ATOM 727 N NE . ARG A 1 89 ? 2.653 -0.004 9.400 1.00 40.40 89 A 1 ATOM 728 C CZ . ARG A 1 89 ? 1.853 0.577 8.517 1.00 36.96 89 A 1 ATOM 729 N NH1 . ARG A 1 89 ? 1.457 -0.033 7.429 1.00 35.90 89 A 1 ATOM 730 N NH2 . ARG A 1 89 ? 1.433 1.797 8.701 1.00 34.66 89 A 1 ATOM 731 N N . THR A 1 90 ? 5.994 -5.876 12.465 1.00 47.71 90 A 1 ATOM 732 C CA . THR A 1 90 ? 5.627 -7.264 12.647 1.00 46.48 90 A 1 ATOM 733 C C . THR A 1 90 ? 4.284 -7.328 11.977 1.00 47.69 90 A 1 ATOM 734 O O . THR A 1 90 ? 3.435 -6.472 12.252 1.00 44.11 90 A 1 ATOM 735 C CB . THR A 1 90 ? 5.474 -7.678 14.128 1.00 41.41 90 A 1 ATOM 736 O OG1 . THR A 1 90 ? 5.475 -6.593 15.028 1.00 37.50 90 A 1 ATOM 737 C CG2 . THR A 1 90 ? 6.605 -8.611 14.556 1.00 36.56 90 A 1 ATOM 738 N N . ASN A 1 91 ? 4.120 -8.268 11.039 1.00 48.62 91 A 1 ATOM 739 C CA . ASN A 1 91 ? 2.842 -8.588 10.430 1.00 48.78 91 A 1 ATOM 740 C C . ASN A 1 91 ? 1.840 -8.887 11.572 1.00 49.39 91 A 1 ATOM 741 O O . ASN A 1 91 ? 1.509 -10.034 11.851 1.00 47.03 91 A 1 ATOM 742 C CB . ASN A 1 91 ? 3.002 -9.794 9.480 1.00 45.20 91 A 1 ATOM 743 C CG . ASN A 1 91 ? 3.679 -9.478 8.153 1.00 40.36 91 A 1 ATOM 744 O OD1 . ASN A 1 91 ? 3.340 -8.529 7.476 1.00 37.07 91 A 1 ATOM 745 N ND2 . ASN A 1 91 ? 4.607 -10.301 7.711 1.00 35.47 91 A 1 ATOM 746 N N . GLN A 1 92 ? 1.381 -7.846 12.276 1.00 45.84 92 A 1 ATOM 747 C CA . GLN A 1 92 ? 0.027 -7.777 12.706 1.00 45.91 92 A 1 ATOM 748 C C . GLN A 1 92 ? -0.677 -7.923 11.369 1.00 47.48 92 A 1 ATOM 749 O O . GLN A 1 92 ? -0.843 -6.974 10.614 1.00 45.62 92 A 1 ATOM 750 C CB . GLN A 1 92 ? -0.307 -6.462 13.427 1.00 42.01 92 A 1 ATOM 751 C CG . GLN A 1 92 ? 0.335 -6.388 14.823 1.00 36.49 92 A 1 ATOM 752 C CD . GLN A 1 92 ? -0.147 -5.199 15.650 1.00 32.80 92 A 1 ATOM 753 O OE1 . GLN A 1 92 ? -0.904 -4.341 15.227 1.00 30.06 92 A 1 ATOM 754 N NE2 . GLN A 1 92 ? 0.274 -5.098 16.891 1.00 29.37 92 A 1 ATOM 755 N N . VAL A 1 93 ? -0.977 -9.185 11.043 1.00 46.22 93 A 1 ATOM 756 C CA . VAL A 1 93 ? -2.156 -9.546 10.294 1.00 47.49 93 A 1 ATOM 757 C C . VAL A 1 93 ? -3.193 -8.646 10.945 1.00 48.82 93 A 1 ATOM 758 O O . VAL A 1 93 ? -3.631 -8.929 12.061 1.00 47.08 93 A 1 ATOM 759 C CB . VAL A 1 93 ? -2.499 -11.036 10.512 1.00 43.64 93 A 1 ATOM 760 C CG1 . VAL A 1 93 ? -3.795 -11.422 9.790 1.00 39.03 93 A 1 ATOM 761 C CG2 . VAL A 1 93 ? -1.377 -11.945 9.992 1.00 39.38 93 A 1 ATOM 762 N N . VAL A 1 94 ? -3.423 -7.466 10.337 1.00 51.83 94 A 1 ATOM 763 C CA . VAL A 1 94 ? -4.536 -6.603 10.690 1.00 53.60 94 A 1 ATOM 764 C C . VAL A 1 94 ? -5.670 -7.582 10.532 1.00 55.56 94 A 1 ATOM 765 O O . VAL A 1 94 ? -5.934 -8.009 9.408 1.00 53.93 94 A 1 ATOM 766 C CB . VAL A 1 94 ? -4.657 -5.404 9.734 1.00 50.72 94 A 1 ATOM 767 C CG1 . VAL A 1 94 ? -5.942 -4.610 10.010 1.00 45.00 94 A 1 ATOM 768 C CG2 . VAL A 1 94 ? -3.462 -4.452 9.904 1.00 45.07 94 A 1 ATOM 769 N N . GLN A 1 95 ? -6.148 -8.124 11.654 1.00 54.91 95 A 1 ATOM 770 C CA . GLN A 1 95 ? -7.221 -9.092 11.601 1.00 57.92 95 A 1 ATOM 771 C C . GLN A 1 95 ? -8.315 -8.313 10.909 1.00 60.40 95 A 1 ATOM 772 O O . GLN A 1 95 ? -8.829 -7.355 11.486 1.00 59.46 95 A 1 ATOM 773 C CB . GLN A 1 95 ? -7.644 -9.573 12.993 1.00 54.57 95 A 1 ATOM 774 C CG . GLN A 1 95 ? -6.702 -10.645 13.564 1.00 46.63 95 A 1 ATOM 775 C CD . GLN A 1 95 ? -7.254 -11.314 14.826 1.00 40.33 95 A 1 ATOM 776 O OE1 . GLN A 1 95 ? -8.289 -10.970 15.370 1.00 36.96 95 A 1 ATOM 777 N NE2 . GLN A 1 95 ? -6.590 -12.326 15.334 1.00 34.44 95 A 1 ATOM 778 N N . LYS A 1 96 ? -8.530 -8.626 9.616 1.00 62.48 96 A 1 ATOM 779 C CA . LYS A 1 96 ? -9.584 -7.971 8.850 1.00 64.76 96 A 1 ATOM 780 C C . LYS A 1 96 ? -10.812 -8.095 9.738 1.00 66.50 96 A 1 ATOM 781 O O . LYS A 1 96 ? -11.078 -9.223 10.180 1.00 65.03 96 A 1 ATOM 782 C CB . LYS A 1 96 ? -9.802 -8.646 7.487 1.00 62.08 96 A 1 ATOM 783 C CG . LYS A 1 96 ? -8.713 -8.298 6.459 1.00 55.59 96 A 1 ATOM 784 C CD . LYS A 1 96 ? -9.054 -8.901 5.083 1.00 52.95 96 A 1 ATOM 785 C CE . LYS A 1 96 ? -8.009 -8.516 4.029 1.00 48.39 96 A 1 ATOM 786 N NZ . LYS A 1 96 ? -8.352 -9.048 2.680 1.00 43.53 96 A 1 ATOM 787 N N . PRO A 1 97 ? -11.471 -6.977 10.099 1.00 62.98 97 A 1 ATOM 788 C CA . PRO A 1 97 ? -12.662 -7.053 10.925 1.00 65.79 97 A 1 ATOM 789 C C . PRO A 1 97 ? -13.562 -8.135 10.344 1.00 67.83 97 A 1 ATOM 790 O O . PRO A 1 97 ? -13.696 -8.226 9.121 1.00 66.02 97 A 1 ATOM 791 C CB . PRO A 1 97 ? -13.307 -5.668 10.874 1.00 63.30 97 A 1 ATOM 792 C CG . PRO A 1 97 ? -12.128 -4.743 10.581 1.00 60.66 97 A 1 ATOM 793 C CD . PRO A 1 97 ? -11.205 -5.604 9.712 1.00 65.49 97 A 1 ATOM 794 N N . LYS A 1 98 ? -14.083 -9.012 11.204 1.00 69.46 98 A 1 ATOM 795 C CA . LYS A 1 98 ? -14.987 -10.048 10.713 1.00 72.78 98 A 1 ATOM 796 C C . LYS A 1 98 ? -16.135 -9.351 9.989 1.00 76.48 98 A 1 ATOM 797 O O . LYS A 1 98 ? -16.663 -8.358 10.488 1.00 74.27 98 A 1 ATOM 798 C CB . LYS A 1 98 ? -15.496 -10.919 11.858 1.00 68.11 98 A 1 ATOM 799 C CG . LYS A 1 98 ? -14.394 -11.784 12.487 1.00 61.23 98 A 1 ATOM 800 C CD . LYS A 1 98 ? -15.047 -12.699 13.520 1.00 57.25 98 A 1 ATOM 801 C CE . LYS A 1 98 ? -14.035 -13.649 14.156 1.00 50.50 98 A 1 ATOM 802 N NZ . LYS A 1 98 ? -14.739 -14.565 15.078 1.00 43.28 98 A 1 ATOM 803 N N . ALA A 1 99 ? -16.503 -9.854 8.814 1.00 76.03 99 A 1 ATOM 804 C CA . ALA A 1 99 ? -17.647 -9.342 8.056 1.00 78.37 99 A 1 ATOM 805 C C . ALA A 1 99 ? -18.995 -9.741 8.687 1.00 83.03 99 A 1 ATOM 806 O O . ALA A 1 99 ? -20.053 -9.449 8.136 1.00 80.54 99 A 1 ATOM 807 C CB . ALA A 1 99 ? -17.503 -9.816 6.605 1.00 74.15 99 A 1 ATOM 808 N N . ASP A 1 100 ? -18.951 -10.417 9.846 1.00 84.18 100 A 1 ATOM 809 C CA . ASP A 1 100 ? -20.099 -10.873 10.619 1.00 85.91 100 A 1 ATOM 810 C C . ASP A 1 100 ? -20.173 -10.192 11.994 1.00 86.77 100 A 1 ATOM 811 O O . ASP A 1 100 ? -19.173 -9.936 12.666 1.00 84.09 100 A 1 ATOM 812 C CB . ASP A 1 100 ? -20.088 -12.413 10.725 1.00 82.51 100 A 1 ATOM 813 C CG . ASP A 1 100 ? -18.928 -12.983 11.553 1.00 73.12 100 A 1 ATOM 814 O OD1 . ASP A 1 100 ? -17.767 -12.893 11.095 1.00 65.87 100 A 1 ATOM 815 O OD2 . ASP A 1 100 ? -19.189 -13.520 12.652 1.00 65.65 100 A 1 ATOM 816 N N . PHE A 1 101 ? -21.397 -9.937 12.438 1.00 85.72 101 A 1 ATOM 817 C CA . PHE A 1 101 ? -21.755 -9.488 13.772 1.00 85.81 101 A 1 ATOM 818 C C . PHE A 1 101 ? -22.795 -10.452 14.341 1.00 86.68 101 A 1 ATOM 819 O O . PHE A 1 101 ? -23.857 -10.642 13.753 1.00 84.46 101 A 1 ATOM 820 C CB . PHE A 1 101 ? -22.271 -8.047 13.708 1.00 84.99 101 A 1 ATOM 821 C CG . PHE A 1 101 ? -22.666 -7.489 15.059 1.00 85.02 101 A 1 ATOM 822 C CD1 . PHE A 1 101 ? -24.022 -7.428 15.431 1.00 80.03 101 A 1 ATOM 823 C CD2 . PHE A 1 101 ? -21.675 -7.044 15.951 1.00 80.84 101 A 1 ATOM 824 C CE1 . PHE A 1 101 ? -24.383 -6.911 16.687 1.00 78.74 101 A 1 ATOM 825 C CE2 . PHE A 1 101 ? -22.033 -6.531 17.208 1.00 79.43 101 A 1 ATOM 826 C CZ . PHE A 1 101 ? -23.389 -6.462 17.575 1.00 81.60 101 A 1 ATOM 827 N N . GLN A 1 102 ? -22.465 -11.098 15.463 1.00 87.96 102 A 1 ATOM 828 C CA . GLN A 1 102 ? -23.320 -12.113 16.096 1.00 88.68 102 A 1 ATOM 829 C C . GLN A 1 102 ? -23.758 -13.257 15.148 1.00 88.75 102 A 1 ATOM 830 O O . GLN A 1 102 ? -24.829 -13.835 15.315 1.00 86.34 102 A 1 ATOM 831 C CB . GLN A 1 102 ? -24.507 -11.446 16.812 1.00 88.55 102 A 1 ATOM 832 C CG . GLN A 1 102 ? -24.067 -10.453 17.903 1.00 86.44 102 A 1 ATOM 833 C CD . GLN A 1 102 ? -25.246 -9.867 18.674 1.00 80.89 102 A 1 ATOM 834 O OE1 . GLN A 1 102 ? -26.408 -10.068 18.379 1.00 74.76 102 A 1 ATOM 835 N NE2 . GLN A 1 102 ? -24.985 -9.115 19.721 1.00 73.78 102 A 1 ATOM 836 N N . GLY A 1 103 ? -22.906 -13.600 14.165 1.00 87.92 103 A 1 ATOM 837 C CA . GLY A 1 103 ? -23.166 -14.675 13.200 1.00 88.16 103 A 1 ATOM 838 C C . GLY A 1 103 ? -23.991 -14.267 11.974 1.00 89.65 103 A 1 ATOM 839 O O . GLY A 1 103 ? -24.234 -15.111 11.116 1.00 86.94 103 A 1 ATOM 840 N N . GLU A 1 104 ? -24.402 -13.000 11.857 1.00 89.04 104 A 1 ATOM 841 C CA . GLU A 1 104 ? -25.010 -12.437 10.642 1.00 90.62 104 A 1 ATOM 842 C C . GLU A 1 104 ? -23.992 -11.546 9.908 1.00 91.03 104 A 1 ATOM 843 O O . GLU A 1 104 ? -23.174 -10.876 10.535 1.00 88.96 104 A 1 ATOM 844 C CB . GLU A 1 104 ? -26.312 -11.664 10.970 1.00 89.26 104 A 1 ATOM 845 C CG . GLU A 1 104 ? -27.458 -12.561 11.491 1.00 82.40 104 A 1 ATOM 846 C CD . GLU A 1 104 ? -28.833 -11.843 11.640 1.00 83.69 104 A 1 ATOM 847 O OE1 . GLU A 1 104 ? -29.866 -12.517 11.883 1.00 75.50 104 A 1 ATOM 848 O OE2 . GLU A 1 104 ? -28.935 -10.605 11.486 1.00 78.51 104 A 1 ATOM 849 N N . ARG A 1 105 ? -24.027 -11.507 8.559 1.00 91.75 105 A 1 ATOM 850 C CA . ARG A 1 105 ? -23.218 -10.536 7.793 1.00 92.25 105 A 1 ATOM 851 C C . ARG A 1 105 ? -23.588 -9.113 8.206 1.00 93.61 105 A 1 ATOM 852 O O . ARG A 1 105 ? -24.773 -8.793 8.274 1.00 92.76 105 A 1 ATOM 853 C CB . ARG A 1 105 ? -23.423 -10.695 6.277 1.00 90.28 105 A 1 ATOM 854 C CG . ARG A 1 105 ? -22.725 -11.935 5.702 1.00 82.13 105 A 1 ATOM 855 C CD . ARG A 1 105 ? -22.990 -12.082 4.190 1.00 79.77 105 A 1 ATOM 856 N NE . ARG A 1 105 ? -22.368 -11.020 3.365 1.00 71.85 105 A 1 ATOM 857 C CZ . ARG A 1 105 ? -22.650 -10.756 2.089 1.00 66.66 105 A 1 ATOM 858 N NH1 . ARG A 1 105 ? -23.543 -11.426 1.423 1.00 61.46 105 A 1 ATOM 859 N NH2 . ARG A 1 105 ? -22.039 -9.811 1.445 1.00 58.41 105 A 1 ATOM 860 N N . ILE A 1 106 ? -22.584 -8.251 8.410 1.00 93.11 106 A 1 ATOM 861 C CA . ILE A 1 106 ? -22.803 -6.869 8.862 1.00 93.61 106 A 1 ATOM 862 C C . ILE A 1 106 ? -23.710 -6.105 7.887 1.00 94.49 106 A 1 ATOM 863 O O . ILE A 1 106 ? -24.638 -5.434 8.332 1.00 94.74 106 A 1 ATOM 864 C CB . ILE A 1 106 ? -21.450 -6.146 9.072 1.00 92.50 106 A 1 ATOM 865 C CG1 . ILE A 1 106 ? -20.705 -6.779 10.271 1.00 89.41 106 A 1 ATOM 866 C CG2 . ILE A 1 106 ? -21.648 -4.638 9.311 1.00 88.28 106 A 1 ATOM 867 C CD1 . ILE A 1 106 ? -19.261 -6.295 10.443 1.00 83.70 106 A 1 ATOM 868 N N . SER A 1 107 ? -23.496 -6.240 6.574 1.00 93.51 107 A 1 ATOM 869 C CA . SER A 1 107 ? -24.352 -5.595 5.567 1.00 93.50 107 A 1 ATOM 870 C C . SER A 1 107 ? -25.810 -6.045 5.678 1.00 94.21 107 A 1 ATOM 871 O O . SER A 1 107 ? -26.717 -5.215 5.699 1.00 94.76 107 A 1 ATOM 872 C CB . SER A 1 107 ? -23.820 -5.867 4.152 1.00 92.65 107 A 1 ATOM 873 O OG . SER A 1 107 ? -23.776 -7.245 3.837 1.00 86.86 107 A 1 ATOM 874 N N . TYR A 1 108 ? -26.049 -7.349 5.858 1.00 94.01 108 A 1 ATOM 875 C CA . TYR A 1 108 ? -27.391 -7.897 6.037 1.00 94.36 108 A 1 ATOM 876 C C . TYR A 1 108 ? -28.041 -7.417 7.342 1.00 94.94 108 A 1 ATOM 877 O O . TYR A 1 108 ? -29.203 -7.012 7.339 1.00 95.08 108 A 1 ATOM 878 C CB . TYR A 1 108 ? -27.322 -9.427 5.988 1.00 94.18 108 A 1 ATOM 879 C CG . TYR A 1 108 ? -28.666 -10.088 6.216 1.00 91.53 108 A 1 ATOM 880 C CD1 . TYR A 1 108 ? -28.997 -10.606 7.484 1.00 86.09 108 A 1 ATOM 881 C CD2 . TYR A 1 108 ? -29.605 -10.144 5.166 1.00 86.60 108 A 1 ATOM 882 C CE1 . TYR A 1 108 ? -30.262 -11.185 7.701 1.00 84.71 108 A 1 ATOM 883 C CE2 . TYR A 1 108 ? -30.872 -10.718 5.380 1.00 84.74 108 A 1 ATOM 884 C CZ . TYR A 1 108 ? -31.202 -11.239 6.651 1.00 85.99 108 A 1 ATOM 885 O OH . TYR A 1 108 ? -32.427 -11.790 6.863 1.00 84.47 108 A 1 ATOM 886 N N . ALA A 1 109 ? -27.289 -7.413 8.447 1.00 94.40 109 A 1 ATOM 887 C CA . ALA A 1 109 ? -27.790 -6.924 9.732 1.00 94.07 109 A 1 ATOM 888 C C . ALA A 1 109 ? -28.187 -5.436 9.667 1.00 94.63 109 A 1 ATOM 889 O O . ALA A 1 109 ? -29.251 -5.063 10.165 1.00 94.93 109 A 1 ATOM 890 C CB . ALA A 1 109 ? -26.722 -7.192 10.802 1.00 94.29 109 A 1 ATOM 891 N N . LEU A 1 110 ? -27.385 -4.596 9.004 1.00 95.75 110 A 1 ATOM 892 C CA . LEU A 1 110 ? -27.699 -3.179 8.785 1.00 95.70 110 A 1 ATOM 893 C C . LEU A 1 110 ? -28.954 -2.989 7.921 1.00 96.11 110 A 1 ATOM 894 O O . LEU A 1 110 ? -29.837 -2.227 8.304 1.00 96.45 110 A 1 ATOM 895 C CB . LEU A 1 110 ? -26.495 -2.472 8.140 1.00 95.30 110 A 1 ATOM 896 C CG . LEU A 1 110 ? -25.321 -2.200 9.096 1.00 93.31 110 A 1 ATOM 897 C CD1 . LEU A 1 110 ? -24.117 -1.713 8.286 1.00 90.70 110 A 1 ATOM 898 C CD2 . LEU A 1 110 ? -25.660 -1.128 10.133 1.00 90.76 110 A 1 ATOM 899 N N . ALA A 1 111 ? -29.069 -3.710 6.801 1.00 95.14 111 A 1 ATOM 900 C CA . ALA A 1 111 ? -30.255 -3.643 5.940 1.00 95.03 111 A 1 ATOM 901 C C . ALA A 1 111 ? -31.535 -4.087 6.680 1.00 95.20 111 A 1 ATOM 902 O O . ALA A 1 111 ? -32.586 -3.454 6.570 1.00 95.17 111 A 1 ATOM 903 C CB . ALA A 1 111 ? -30.000 -4.508 4.699 1.00 95.10 111 A 1 ATOM 904 N N . LYS A 1 112 ? -31.438 -5.138 7.496 1.00 95.75 112 A 1 ATOM 905 C CA . LYS A 1 112 ? -32.535 -5.631 8.342 1.00 95.37 112 A 1 ATOM 906 C C . LYS A 1 112 ? -32.958 -4.611 9.400 1.00 95.37 112 A 1 ATOM 907 O O . LYS A 1 112 ? -34.150 -4.462 9.646 1.00 94.94 112 A 1 ATOM 908 C CB . LYS A 1 112 ? -32.071 -6.949 8.969 1.00 94.89 112 A 1 ATOM 909 C CG . LYS A 1 112 ? -33.072 -7.652 9.898 1.00 88.94 112 A 1 ATOM 910 C CD . LYS A 1 112 ? -32.359 -8.910 10.423 1.00 88.21 112 A 1 ATOM 911 C CE . LYS A 1 112 ? -33.112 -9.708 11.474 1.00 81.02 112 A 1 ATOM 912 N NZ . LYS A 1 112 ? -32.216 -10.800 11.965 1.00 75.62 112 A 1 ATOM 913 N N . LEU A 1 113 ? -32.001 -3.900 10.019 1.00 94.91 113 A 1 ATOM 914 C CA . LEU A 1 113 ? -32.292 -2.812 10.956 1.00 94.07 113 A 1 ATOM 915 C C . LEU A 1 113 ? -32.923 -1.609 10.245 1.00 94.30 113 A 1 ATOM 916 O O . LEU A 1 113 ? -33.894 -1.057 10.754 1.00 93.94 113 A 1 ATOM 917 C CB . LEU A 1 113 ? -31.007 -2.389 11.687 1.00 93.52 113 A 1 ATOM 918 C CG . LEU A 1 113 ? -30.523 -3.377 12.764 1.00 89.24 113 A 1 ATOM 919 C CD1 . LEU A 1 113 ? -29.135 -2.954 13.245 1.00 84.32 113 A 1 ATOM 920 C CD2 . LEU A 1 113 ? -31.452 -3.413 13.980 1.00 84.11 113 A 1 ATOM 921 N N . ALA A 1 114 ? -32.419 -1.239 9.065 1.00 94.42 114 A 1 ATOM 922 C CA . ALA A 1 114 ? -32.978 -0.152 8.258 1.00 93.66 114 A 1 ATOM 923 C C . ALA A 1 114 ? -34.443 -0.407 7.868 1.00 93.33 114 A 1 ATOM 924 O O . ALA A 1 114 ? -35.251 0.517 7.868 1.00 93.06 114 A 1 ATOM 925 C CB . ALA A 1 114 ? -32.102 0.024 7.012 1.00 94.10 114 A 1 ATOM 926 N N . ALA A 1 115 ? -34.799 -1.676 7.599 1.00 95.16 115 A 1 ATOM 927 C CA . ALA A 1 115 ? -36.151 -2.088 7.214 1.00 94.55 115 A 1 ATOM 928 C C . ALA A 1 115 ? -37.144 -2.237 8.391 1.00 94.00 115 A 1 ATOM 929 O O . ALA A 1 115 ? -38.278 -2.676 8.175 1.00 91.99 115 A 1 ATOM 930 C CB . ALA A 1 115 ? -36.025 -3.386 6.407 1.00 94.20 115 A 1 ATOM 931 N N . GLN A 1 116 ? -36.741 -1.950 9.636 1.00 94.64 116 A 1 ATOM 932 C CA . GLN A 1 116 ? -37.645 -2.032 10.785 1.00 93.32 116 A 1 ATOM 933 C C . GLN A 1 116 ? -38.698 -0.919 10.760 1.00 92.33 116 A 1 ATOM 934 O O . GLN A 1 116 ? -38.459 0.201 10.322 1.00 89.74 116 A 1 ATOM 935 C CB . GLN A 1 116 ? -36.870 -2.023 12.112 1.00 92.35 116 A 1 ATOM 936 C CG . GLN A 1 116 ? -36.141 -3.359 12.338 1.00 88.57 116 A 1 ATOM 937 C CD . GLN A 1 116 ? -35.398 -3.446 13.670 1.00 85.88 116 A 1 ATOM 938 O OE1 . GLN A 1 116 ? -35.194 -2.500 14.409 1.00 80.67 116 A 1 ATOM 939 N NE2 . GLN A 1 116 ? -34.956 -4.628 14.051 1.00 76.58 116 A 1 ATOM 940 N N . GLU A 1 117 ? -39.888 -1.247 11.282 1.00 89.34 117 A 1 ATOM 941 C CA . GLU A 1 117 ? -40.984 -0.291 11.425 1.00 88.16 117 A 1 ATOM 942 C C . GLU A 1 117 ? -40.545 0.903 12.290 1.00 86.60 117 A 1 ATOM 943 O O . GLU A 1 117 ? -39.921 0.730 13.335 1.00 81.90 117 A 1 ATOM 944 C CB . GLU A 1 117 ? -42.204 -1.034 12.009 1.00 86.94 117 A 1 ATOM 945 C CG . GLU A 1 117 ? -43.519 -0.247 11.879 1.00 74.01 117 A 1 ATOM 946 C CD . GLU A 1 117 ? -44.757 -1.035 12.370 1.00 68.31 117 A 1 ATOM 947 O OE1 . GLU A 1 117 ? -45.885 -0.539 12.148 1.00 60.96 117 A 1 ATOM 948 O OE2 . GLU A 1 117 ? -44.582 -2.121 12.971 1.00 64.46 117 A 1 ATOM 949 N N . ASN A 1 118 ? -40.872 2.130 11.851 1.00 90.40 118 A 1 ATOM 950 C CA . ASN A 1 118 ? -40.477 3.419 12.444 1.00 88.88 118 A 1 ATOM 951 C C . ASN A 1 118 ? -38.995 3.815 12.281 1.00 88.65 118 A 1 ATOM 952 O O . ASN A 1 118 ? -38.546 4.754 12.940 1.00 84.20 118 A 1 ATOM 953 C CB . ASN A 1 118 ? -40.966 3.547 13.904 1.00 86.96 118 A 1 ATOM 954 C CG . ASN A 1 118 ? -42.413 3.143 14.088 1.00 79.65 118 A 1 ATOM 955 O OD1 . ASN A 1 118 ? -43.330 3.767 13.585 1.00 72.12 118 A 1 ATOM 956 N ND2 . ASN A 1 118 ? -42.667 2.074 14.804 1.00 71.83 118 A 1 ATOM 957 N N . ASN A 1 119 ? -38.237 3.170 11.380 1.00 88.20 119 A 1 ATOM 958 C CA . ASN A 1 119 ? -36.865 3.549 11.027 1.00 89.14 119 A 1 ATOM 959 C C . ASN A 1 119 ? -36.779 4.152 9.604 1.00 89.20 119 A 1 ATOM 960 O O . ASN A 1 119 ? -35.845 3.892 8.852 1.00 84.71 119 A 1 ATOM 961 C CB . ASN A 1 119 ? -35.937 2.350 11.274 1.00 87.14 119 A 1 ATOM 962 C CG . ASN A 1 119 ? -34.475 2.751 11.364 1.00 85.38 119 A 1 ATOM 963 O OD1 . ASN A 1 119 ? -34.111 3.872 11.685 1.00 77.95 119 A 1 ATOM 964 N ND2 . ASN A 1 119 ? -33.583 1.820 11.124 1.00 78.21 119 A 1 ATOM 965 N N . ASP A 1 120 ? -37.772 4.946 9.219 1.00 89.71 120 A 1 ATOM 966 C CA . ASP A 1 120 ? -37.908 5.578 7.895 1.00 89.05 120 A 1 ATOM 967 C C . ASP A 1 120 ? -37.230 6.961 7.793 1.00 89.45 120 A 1 ATOM 968 O O . ASP A 1 120 ? -37.259 7.617 6.749 1.00 83.49 120 A 1 ATOM 969 C CB . ASP A 1 120 ? -39.404 5.627 7.520 1.00 85.87 120 A 1 ATOM 970 C CG . ASP A 1 120 ? -40.296 6.441 8.477 1.00 80.68 120 A 1 ATOM 971 O OD1 . ASP A 1 120 ? -39.866 6.733 9.618 1.00 74.66 120 A 1 ATOM 972 O OD2 . ASP A 1 120 ? -41.449 6.733 8.071 1.00 75.38 120 A 1 ATOM 973 N N . GLY A 1 121 ? -36.567 7.397 8.873 1.00 91.58 121 A 1 ATOM 974 C CA . GLY A 1 121 ? -35.847 8.664 8.951 1.00 92.13 121 A 1 ATOM 975 C C . GLY A 1 121 ? -34.401 8.614 8.433 1.00 94.16 121 A 1 ATOM 976 O O . GLY A 1 121 ? -33.957 7.681 7.767 1.00 92.99 121 A 1 ATOM 977 N N . TYR A 1 122 ? -33.634 9.653 8.783 1.00 94.54 122 A 1 ATOM 978 C CA . TYR A 1 122 ? -32.220 9.784 8.410 1.00 95.17 122 A 1 ATOM 979 C C . TYR A 1 122 ? -31.379 8.563 8.817 1.00 95.68 122 A 1 ATOM 980 O O . TYR A 1 122 ? -30.551 8.100 8.032 1.00 95.28 122 A 1 ATOM 981 C CB . TYR A 1 122 ? -31.661 11.064 9.054 1.00 95.12 122 A 1 ATOM 982 C CG . TYR A 1 122 ? -30.170 11.251 8.855 1.00 95.07 122 A 1 ATOM 983 C CD1 . TYR A 1 122 ? -29.266 10.878 9.871 1.00 90.66 122 A 1 ATOM 984 C CD2 . TYR A 1 122 ? -29.680 11.759 7.635 1.00 91.72 122 A 1 ATOM 985 C CE1 . TYR A 1 122 ? -27.880 11.014 9.671 1.00 91.01 122 A 1 ATOM 986 C CE2 . TYR A 1 122 ? -28.295 11.895 7.428 1.00 91.08 122 A 1 ATOM 987 C CZ . TYR A 1 122 ? -27.391 11.519 8.448 1.00 92.76 122 A 1 ATOM 988 O OH . TYR A 1 122 ? -26.048 11.641 8.247 1.00 91.79 122 A 1 ATOM 989 N N . GLU A 1 123 ? -31.605 8.020 10.024 1.00 93.44 123 A 1 ATOM 990 C CA . GLU A 1 123 ? -30.856 6.883 10.564 1.00 93.54 123 A 1 ATOM 991 C C . GLU A 1 123 ? -31.073 5.610 9.732 1.00 94.16 123 A 1 ATOM 992 O O . GLU A 1 123 ? -30.100 4.965 9.343 1.00 94.01 123 A 1 ATOM 993 C CB . GLU A 1 123 ? -31.261 6.651 12.029 1.00 92.20 123 A 1 ATOM 994 C CG . GLU A 1 123 ? -30.864 7.840 12.932 1.00 86.48 123 A 1 ATOM 995 C CD . GLU A 1 123 ? -31.307 7.690 14.397 1.00 82.49 123 A 1 ATOM 996 O OE1 . GLU A 1 123 ? -30.899 8.567 15.199 1.00 73.66 123 A 1 ATOM 997 O OE2 . GLU A 1 123 ? -32.061 6.746 14.704 1.00 73.99 123 A 1 ATOM 998 N N . GLY A 1 124 ? -32.314 5.281 9.381 1.00 94.90 124 A 1 ATOM 999 C CA . GLY A 1 124 ? -32.638 4.131 8.531 1.00 95.10 124 A 1 ATOM 1000 C C . GLY A 1 124 ? -32.046 4.253 7.131 1.00 95.86 124 A 1 ATOM 1001 O O . GLY A 1 124 ? -31.395 3.325 6.640 1.00 95.80 124 A 1 ATOM 1002 N N . ASN A 1 125 ? -32.158 5.436 6.518 1.00 95.52 125 A 1 ATOM 1003 C CA . ASN A 1 125 ? -31.556 5.706 5.211 1.00 95.47 125 A 1 ATOM 1004 C C . ASN A 1 125 ? -30.022 5.578 5.241 1.00 95.97 125 A 1 ATOM 1005 O O . ASN A 1 125 ? -29.426 5.036 4.311 1.00 95.73 125 A 1 ATOM 1006 C CB . ASN A 1 125 ? -31.978 7.114 4.753 1.00 95.03 125 A 1 ATOM 1007 C CG . ASN A 1 125 ? -33.455 7.207 4.396 1.00 92.30 125 A 1 ATOM 1008 O OD1 . ASN A 1 125 ? -34.075 6.271 3.933 1.00 86.11 125 A 1 ATOM 1009 N ND2 . ASN A 1 125 ? -34.063 8.357 4.564 1.00 85.10 125 A 1 ATOM 1010 N N . LEU A 1 126 ? -29.372 6.045 6.316 1.00 95.76 126 A 1 ATOM 1011 C CA . LEU A 1 126 ? -27.926 5.918 6.496 1.00 95.94 126 A 1 ATOM 1012 C C . LEU A 1 126 ? -27.501 4.452 6.672 1.00 96.17 126 A 1 ATOM 1013 O O . LEU A 1 126 ? -26.514 4.030 6.072 1.00 96.33 126 A 1 ATOM 1014 C CB . LEU A 1 126 ? -27.496 6.790 7.689 1.00 95.77 126 A 1 ATOM 1015 C CG . LEU A 1 126 ? -25.986 6.760 7.984 1.00 93.89 126 A 1 ATOM 1016 C CD1 . LEU A 1 126 ? -25.157 7.313 6.822 1.00 91.04 126 A 1 ATOM 1017 C CD2 . LEU A 1 126 ? -25.687 7.593 9.230 1.00 91.75 126 A 1 ATOM 1018 N N . MET A 1 127 ? -28.237 3.661 7.461 1.00 95.84 127 A 1 ATOM 1019 C CA . MET A 1 127 ? -27.982 2.224 7.631 1.00 95.58 127 A 1 ATOM 1020 C C . MET A 1 127 ? -28.123 1.465 6.308 1.00 95.74 127 A 1 ATOM 1021 O O . MET A 1 127 ? -27.268 0.636 5.989 1.00 95.94 127 A 1 ATOM 1022 C CB . MET A 1 127 ? -28.945 1.627 8.667 1.00 94.70 127 A 1 ATOM 1023 C CG . MET A 1 127 ? -28.641 2.067 10.101 1.00 91.56 127 A 1 ATOM 1024 S SD . MET A 1 127 ? -29.812 1.379 11.304 1.00 88.39 127 A 1 ATOM 1025 C CE . MET A 1 127 ? -29.366 2.361 12.760 1.00 76.96 127 A 1 ATOM 1026 N N . GLN A 1 128 ? -29.148 1.766 5.513 1.00 95.65 128 A 1 ATOM 1027 C CA . GLN A 1 128 ? -29.354 1.168 4.193 1.00 95.56 128 A 1 ATOM 1028 C C . GLN A 1 128 ? -28.198 1.508 3.239 1.00 95.76 128 A 1 ATOM 1029 O O . GLN A 1 128 ? -27.605 0.610 2.641 1.00 96.02 128 A 1 ATOM 1030 C CB . GLN A 1 128 ? -30.719 1.627 3.641 1.00 95.50 128 A 1 ATOM 1031 C CG . GLN A 1 128 ? -31.063 0.989 2.284 1.00 90.71 128 A 1 ATOM 1032 C CD . GLN A 1 128 ? -31.145 -0.537 2.323 1.00 87.88 128 A 1 ATOM 1033 O OE1 . GLN A 1 128 ? -31.528 -1.156 3.308 1.00 81.82 128 A 1 ATOM 1034 N NE2 . GLN A 1 128 ? -30.785 -1.196 1.244 1.00 77.20 128 A 1 ATOM 1035 N N . ALA A 1 129 ? -27.809 2.784 3.160 1.00 96.25 129 A 1 ATOM 1036 C CA . ALA A 1 129 ? -26.684 3.216 2.328 1.00 96.27 129 A 1 ATOM 1037 C C . ALA A 1 129 ? -25.355 2.566 2.762 1.00 96.50 129 A 1 ATOM 1038 O O . ALA A 1 129 ? -24.547 2.164 1.922 1.00 96.41 129 A 1 ATOM 1039 C CB . ALA A 1 129 ? -26.609 4.749 2.388 1.00 96.53 129 A 1 ATOM 1040 N N . ALA A 1 130 ? -25.124 2.415 4.074 1.00 96.44 130 A 1 ATOM 1041 C CA . ALA A 1 130 ? -23.951 1.722 4.603 1.00 95.99 130 A 1 ATOM 1042 C C . ALA A 1 130 ? -23.947 0.227 4.236 1.00 95.99 130 A 1 ATOM 1043 O O . ALA A 1 130 ? -22.907 -0.297 3.839 1.00 96.10 130 A 1 ATOM 1044 C CB . ALA A 1 130 ? -23.894 1.936 6.122 1.00 95.65 130 A 1 ATOM 1045 N N . ALA A 1 131 ? -25.094 -0.449 4.324 1.00 95.29 131 A 1 ATOM 1046 C CA . ALA A 1 131 ? -25.241 -1.849 3.923 1.00 94.65 131 A 1 ATOM 1047 C C . ALA A 1 131 ? -24.877 -2.060 2.444 1.00 94.28 131 A 1 ATOM 1048 O O . ALA A 1 131 ? -24.032 -2.901 2.129 1.00 94.25 131 A 1 ATOM 1049 C CB . ALA A 1 131 ? -26.679 -2.303 4.216 1.00 94.64 131 A 1 ATOM 1050 N N . GLU A 1 132 ? -25.445 -1.247 1.551 1.00 94.68 132 A 1 ATOM 1051 C CA . GLU A 1 132 ? -25.189 -1.295 0.103 1.00 94.51 132 A 1 ATOM 1052 C C . GLU A 1 132 ? -23.715 -1.018 -0.229 1.00 94.34 132 A 1 ATOM 1053 O O . GLU A 1 132 ? -23.107 -1.708 -1.053 1.00 94.03 132 A 1 ATOM 1054 C CB . GLU A 1 132 ? -26.079 -0.258 -0.603 1.00 94.91 132 A 1 ATOM 1055 C CG . GLU A 1 132 ? -27.561 -0.664 -0.588 1.00 92.26 132 A 1 ATOM 1056 C CD . GLU A 1 132 ? -28.504 0.416 -1.141 1.00 90.45 132 A 1 ATOM 1057 O OE1 . GLU A 1 132 ? -29.731 0.230 -0.957 1.00 83.79 132 A 1 ATOM 1058 O OE2 . GLU A 1 132 ? -28.019 1.412 -1.732 1.00 85.11 132 A 1 ATOM 1059 N N . TYR A 1 133 ? -23.096 -0.041 0.449 1.00 94.88 133 A 1 ATOM 1060 C CA . TYR A 1 133 ? -21.685 0.282 0.252 1.00 94.32 133 A 1 ATOM 1061 C C . TYR A 1 133 ? -20.752 -0.853 0.700 1.00 94.03 133 A 1 ATOM 1062 O O . TYR A 1 133 ? -19.792 -1.175 -0.007 1.00 93.95 133 A 1 ATOM 1063 C CB . TYR A 1 133 ? -21.363 1.595 0.971 1.00 94.45 133 A 1 ATOM 1064 C CG . TYR A 1 133 ? -19.944 2.076 0.723 1.00 93.28 133 A 1 ATOM 1065 C CD1 . TYR A 1 133 ? -19.025 2.172 1.785 1.00 87.51 133 A 1 ATOM 1066 C CD2 . TYR A 1 133 ? -19.541 2.412 -0.585 1.00 88.33 133 A 1 ATOM 1067 C CE1 . TYR A 1 133 ? -17.713 2.614 1.542 1.00 87.29 133 A 1 ATOM 1068 C CE2 . TYR A 1 133 ? -18.227 2.843 -0.834 1.00 87.34 133 A 1 ATOM 1069 C CZ . TYR A 1 133 ? -17.308 2.947 0.231 1.00 88.48 133 A 1 ATOM 1070 O OH . TYR A 1 133 ? -16.031 3.358 -0.010 1.00 87.00 133 A 1 ATOM 1071 N N . ILE A 1 134 ? -21.041 -1.501 1.839 1.00 94.16 134 A 1 ATOM 1072 C CA . ILE A 1 134 ? -20.280 -2.666 2.315 1.00 93.14 134 A 1 ATOM 1073 C C . ILE A 1 134 ? -20.382 -3.819 1.306 1.00 92.33 134 A 1 ATOM 1074 O O . ILE A 1 134 ? -19.356 -4.388 0.936 1.00 91.88 134 A 1 ATOM 1075 C CB . ILE A 1 134 ? -20.744 -3.084 3.732 1.00 93.20 134 A 1 ATOM 1076 C CG1 . ILE A 1 134 ? -20.330 -2.016 4.772 1.00 92.82 134 A 1 ATOM 1077 C CG2 . ILE A 1 134 ? -20.147 -4.448 4.135 1.00 92.47 134 A 1 ATOM 1078 C CD1 . ILE A 1 134 ? -21.057 -2.154 6.117 1.00 90.03 134 A 1 ATOM 1079 N N . GLU A 1 135 ? -21.575 -4.135 0.807 1.00 92.46 135 A 1 ATOM 1080 C CA . GLU A 1 135 ? -21.758 -5.195 -0.196 1.00 91.61 135 A 1 ATOM 1081 C C . GLU A 1 135 ? -21.003 -4.903 -1.499 1.00 91.14 135 A 1 ATOM 1082 O O . GLU A 1 135 ? -20.387 -5.800 -2.091 1.00 90.48 135 A 1 ATOM 1083 C CB . GLU A 1 135 ? -23.245 -5.389 -0.516 1.00 91.52 135 A 1 ATOM 1084 C CG . GLU A 1 135 ? -23.975 -6.058 0.652 1.00 83.42 135 A 1 ATOM 1085 C CD . GLU A 1 135 ? -25.400 -6.507 0.318 1.00 79.10 135 A 1 ATOM 1086 O OE1 . GLU A 1 135 ? -25.921 -7.292 1.158 1.00 69.41 135 A 1 ATOM 1087 O OE2 . GLU A 1 135 ? -25.918 -6.161 -0.766 1.00 70.73 135 A 1 ATOM 1088 N N . TRP A 1 136 ? -20.995 -3.645 -1.940 1.00 92.80 136 A 1 ATOM 1089 C CA . TRP A 1 136 ? -20.213 -3.225 -3.094 1.00 92.12 136 A 1 ATOM 1090 C C . TRP A 1 136 ? -18.709 -3.428 -2.860 1.00 91.50 136 A 1 ATOM 1091 O O . TRP A 1 136 ? -18.048 -4.051 -3.696 1.00 91.07 136 A 1 ATOM 1092 C CB . TRP A 1 136 ? -20.556 -1.771 -3.445 1.00 92.54 136 A 1 ATOM 1093 C CG . TRP A 1 136 ? -19.745 -1.225 -4.575 1.00 90.39 136 A 1 ATOM 1094 C CD1 . TRP A 1 136 ? -19.996 -1.416 -5.891 1.00 85.63 136 A 1 ATOM 1095 C CD2 . TRP A 1 136 ? -18.513 -0.446 -4.509 1.00 88.73 136 A 1 ATOM 1096 N NE1 . TRP A 1 136 ? -19.012 -0.807 -6.644 1.00 84.29 136 A 1 ATOM 1097 C CE2 . TRP A 1 136 ? -18.069 -0.200 -5.840 1.00 87.85 136 A 1 ATOM 1098 C CE3 . TRP A 1 136 ? -17.725 0.067 -3.456 1.00 85.73 136 A 1 ATOM 1099 C CZ2 . TRP A 1 136 ? -16.897 0.525 -6.119 1.00 87.46 136 A 1 ATOM 1100 C CZ3 . TRP A 1 136 ? -16.545 0.793 -3.724 1.00 82.77 136 A 1 ATOM 1101 C CH2 . TRP A 1 136 ? -16.134 1.021 -5.050 1.00 81.59 136 A 1 ATOM 1102 N N . LEU A 1 137 ? -18.167 -2.996 -1.712 1.00 90.92 137 A 1 ATOM 1103 C CA . LEU A 1 137 ? -16.752 -3.189 -1.361 1.00 88.84 137 A 1 ATOM 1104 C C . LEU A 1 137 ? -16.362 -4.674 -1.315 1.00 87.61 137 A 1 ATOM 1105 O O . LEU A 1 137 ? -15.351 -5.064 -1.901 1.00 87.59 137 A 1 ATOM 1106 C CB . LEU A 1 137 ? -16.457 -2.540 0.002 1.00 89.22 137 A 1 ATOM 1107 C CG . LEU A 1 137 ? -16.361 -1.004 0.002 1.00 85.93 137 A 1 ATOM 1108 C CD1 . LEU A 1 137 ? -16.176 -0.537 1.449 1.00 83.34 137 A 1 ATOM 1109 C CD2 . LEU A 1 137 ? -15.176 -0.495 -0.825 1.00 83.23 137 A 1 ATOM 1110 N N . GLU A 1 138 ? -17.171 -5.522 -0.669 1.00 88.86 138 A 1 ATOM 1111 C CA . GLU A 1 138 ? -16.941 -6.971 -0.601 1.00 87.21 138 A 1 ATOM 1112 C C . GLU A 1 138 ? -16.916 -7.607 -2.000 1.00 86.93 138 A 1 ATOM 1113 O O . GLU A 1 138 ? -16.095 -8.488 -2.287 1.00 85.89 138 A 1 ATOM 1114 C CB . GLU A 1 138 ? -18.035 -7.640 0.254 1.00 86.51 138 A 1 ATOM 1115 C CG . GLU A 1 138 ? -17.899 -7.347 1.765 1.00 85.05 138 A 1 ATOM 1116 C CD . GLU A 1 138 ? -18.990 -8.043 2.611 1.00 84.29 138 A 1 ATOM 1117 O OE1 . GLU A 1 138 ? -18.748 -8.258 3.819 1.00 77.84 138 A 1 ATOM 1118 O OE2 . GLU A 1 138 ? -20.051 -8.421 2.072 1.00 79.47 138 A 1 ATOM 1119 N N . THR A 1 139 ? -17.770 -7.127 -2.907 1.00 87.59 139 A 1 ATOM 1120 C CA . THR A 1 139 ? -17.797 -7.571 -4.310 1.00 87.60 139 A 1 ATOM 1121 C C . THR A 1 139 ? -16.519 -7.176 -5.049 1.00 87.04 139 A 1 ATOM 1122 O O . THR A 1 139 ? -15.933 -8.014 -5.744 1.00 85.36 139 A 1 ATOM 1123 C CB . THR A 1 139 ? -19.037 -7.029 -5.033 1.00 87.96 139 A 1 ATOM 1124 O OG1 . THR A 1 139 ? -20.199 -7.492 -4.385 1.00 82.92 139 A 1 ATOM 1125 C CG2 . THR A 1 139 ? -19.129 -7.516 -6.482 1.00 81.53 139 A 1 ATOM 1126 N N . GLN A 1 140 ? -16.032 -5.938 -4.880 1.00 84.91 140 A 1 ATOM 1127 C CA . GLN A 1 140 ? -14.782 -5.469 -5.506 1.00 84.19 140 A 1 ATOM 1128 C C . GLN A 1 140 ? -13.563 -6.265 -5.019 1.00 84.10 140 A 1 ATOM 1129 O O . GLN A 1 140 ? -12.750 -6.715 -5.832 1.00 82.75 140 A 1 ATOM 1130 C CB . GLN A 1 140 ? -14.556 -3.967 -5.241 1.00 84.88 140 A 1 ATOM 1131 C CG . GLN A 1 140 ? -15.609 -3.024 -5.857 1.00 81.86 140 A 1 ATOM 1132 C CD . GLN A 1 140 ? -15.907 -3.336 -7.316 1.00 79.52 140 A 1 ATOM 1133 O OE1 . GLN A 1 140 ? -15.047 -3.330 -8.178 1.00 73.68 140 A 1 ATOM 1134 N NE2 . GLN A 1 140 ? -17.145 -3.654 -7.639 1.00 70.15 140 A 1 ATOM 1135 N N . ILE A 1 141 ? -13.456 -6.508 -3.709 1.00 83.07 141 A 1 ATOM 1136 C CA . ILE A 1 141 ? -12.368 -7.307 -3.121 1.00 80.82 141 A 1 ATOM 1137 C C . ILE A 1 141 ? -12.400 -8.735 -3.683 1.00 80.32 141 A 1 ATOM 1138 O O . ILE A 1 141 ? -11.388 -9.241 -4.171 1.00 78.17 141 A 1 ATOM 1139 C CB . ILE A 1 141 ? -12.471 -7.283 -1.578 1.00 79.42 141 A 1 ATOM 1140 C CG1 . ILE A 1 141 ? -12.187 -5.856 -1.046 1.00 74.51 141 A 1 ATOM 1141 C CG2 . ILE A 1 141 ? -11.493 -8.290 -0.944 1.00 73.41 141 A 1 ATOM 1142 C CD1 . ILE A 1 141 ? -12.585 -5.653 0.422 1.00 69.02 141 A 1 ATOM 1143 N N . SER A 1 142 ? -13.577 -9.363 -3.705 1.00 79.29 142 A 1 ATOM 1144 C CA . SER A 1 142 ? -13.749 -10.725 -4.230 1.00 79.85 142 A 1 ATOM 1145 C C . SER A 1 142 ? -13.399 -10.841 -5.717 1.00 79.05 142 A 1 ATOM 1146 O O . SER A 1 142 ? -12.906 -11.877 -6.168 1.00 77.72 142 A 1 ATOM 1147 C CB . SER A 1 142 ? -15.202 -11.178 -4.059 1.00 78.28 142 A 1 ATOM 1148 O OG . SER A 1 142 ? -15.570 -11.230 -2.702 1.00 66.88 142 A 1 ATOM 1149 N N . PHE A 1 143 ? -13.664 -9.804 -6.513 1.00 73.84 143 A 1 ATOM 1150 C CA . PHE A 1 143 ? -13.290 -9.750 -7.923 1.00 74.01 143 A 1 ATOM 1151 C C . PHE A 1 143 ? -11.769 -9.646 -8.093 1.00 73.70 143 A 1 ATOM 1152 O O . PHE A 1 143 ? -11.183 -10.441 -8.831 1.00 71.96 143 A 1 ATOM 1153 C CB . PHE A 1 143 ? -14.027 -8.588 -8.608 1.00 73.20 143 A 1 ATOM 1154 C CG . PHE A 1 143 ? -13.712 -8.482 -10.087 1.00 66.29 143 A 1 ATOM 1155 C CD1 . PHE A 1 143 ? -12.737 -7.572 -10.542 1.00 61.11 143 A 1 ATOM 1156 C CD2 . PHE A 1 143 ? -14.372 -9.318 -11.008 1.00 59.36 143 A 1 ATOM 1157 C CE1 . PHE A 1 143 ? -12.431 -7.493 -11.910 1.00 53.94 143 A 1 ATOM 1158 C CE2 . PHE A 1 143 ? -14.062 -9.240 -12.379 1.00 54.61 143 A 1 ATOM 1159 C CZ . PHE A 1 143 ? -13.091 -8.327 -12.830 1.00 55.57 143 A 1 ATOM 1160 N N . SER A 1 144 ? -11.122 -8.738 -7.361 1.00 72.97 144 A 1 ATOM 1161 C CA . SER A 1 144 ? -9.664 -8.563 -7.370 1.00 74.09 144 A 1 ATOM 1162 C C . SER A 1 144 ? -8.932 -9.860 -6.999 1.00 74.23 144 A 1 ATOM 1163 O O . SER A 1 144 ? -8.045 -10.303 -7.729 1.00 73.13 144 A 1 ATOM 1164 C CB . SER A 1 144 ? -9.289 -7.433 -6.408 1.00 71.07 144 A 1 ATOM 1165 O OG . SER A 1 144 ? -7.908 -7.159 -6.497 1.00 63.65 144 A 1 ATOM 1166 N N . ASP A 1 145 ? -9.358 -10.533 -5.935 1.00 70.34 145 A 1 ATOM 1167 C CA . ASP A 1 145 ? -8.764 -11.798 -5.489 1.00 71.42 145 A 1 ATOM 1168 C C . ASP A 1 145 ? -8.855 -12.889 -6.568 1.00 72.85 145 A 1 ATOM 1169 O O . ASP A 1 145 ? -7.884 -13.606 -6.824 1.00 71.98 145 A 1 ATOM 1170 C CB . ASP A 1 145 ? -9.454 -12.271 -4.195 1.00 68.13 145 A 1 ATOM 1171 C CG . ASP A 1 145 ? -9.045 -11.490 -2.938 1.00 64.81 145 A 1 ATOM 1172 O OD1 . ASP A 1 145 ? -8.002 -10.798 -2.975 1.00 61.14 145 A 1 ATOM 1173 O OD2 . ASP A 1 145 ? -9.740 -11.671 -1.911 1.00 60.59 145 A 1 ATOM 1174 N N . ARG A 1 146 ? -9.994 -13.000 -7.270 1.00 66.47 146 A 1 ATOM 1175 C CA . ARG A 1 146 ? -10.155 -13.960 -8.381 1.00 68.18 146 A 1 ATOM 1176 C C . ARG A 1 146 ? -9.205 -13.659 -9.540 1.00 69.83 146 A 1 ATOM 1177 O O . ARG A 1 146 ? -8.584 -14.590 -10.053 1.00 71.87 146 A 1 ATOM 1178 C CB . ARG A 1 146 ? -11.603 -13.974 -8.894 1.00 68.70 146 A 1 ATOM 1179 C CG . ARG A 1 146 ? -12.567 -14.667 -7.924 1.00 64.92 146 A 1 ATOM 1180 C CD . ARG A 1 146 ? -13.984 -14.604 -8.499 1.00 62.98 146 A 1 ATOM 1181 N NE . ARG A 1 146 ? -15.000 -14.424 -7.460 1.00 55.69 146 A 1 ATOM 1182 C CZ . ARG A 1 146 ? -16.304 -14.340 -7.652 1.00 50.19 146 A 1 ATOM 1183 N NH1 . ARG A 1 146 ? -16.846 -14.517 -8.831 1.00 47.13 146 A 1 ATOM 1184 N NH2 . ARG A 1 146 ? -17.094 -14.049 -6.653 1.00 45.31 146 A 1 ATOM 1185 N N . MET A 1 147 ? -9.055 -12.388 -9.919 1.00 68.86 147 A 1 ATOM 1186 C CA . MET A 1 147 ? -8.138 -11.971 -10.986 1.00 71.54 147 A 1 ATOM 1187 C C . MET A 1 147 ? -6.681 -12.304 -10.638 1.00 69.08 147 A 1 ATOM 1188 O O . MET A 1 147 ? -5.965 -12.873 -11.465 1.00 75.43 147 A 1 ATOM 1189 C CB . MET A 1 147 ? -8.301 -10.463 -11.251 1.00 72.68 147 A 1 ATOM 1190 C CG . MET A 1 147 ? -9.640 -10.126 -11.929 1.00 67.14 147 A 1 ATOM 1191 S SD . MET A 1 147 ? -9.924 -10.914 -13.542 1.00 61.49 147 A 1 ATOM 1192 C CE . MET A 1 147 ? -8.600 -10.177 -14.530 1.00 54.85 147 A 1 ATOM 1193 N N . ILE A 1 148 ? -6.250 -12.049 -9.402 1.00 74.62 148 A 1 ATOM 1194 C CA . ILE A 1 148 ? -4.904 -12.389 -8.919 1.00 74.20 148 A 1 ATOM 1195 C C . ILE A 1 148 ? -4.674 -13.908 -8.965 1.00 75.17 148 A 1 ATOM 1196 O O . ILE A 1 148 ? -3.626 -14.373 -9.426 1.00 75.86 148 A 1 ATOM 1197 C CB . ILE A 1 148 ? -4.693 -11.820 -7.495 1.00 71.34 148 A 1 ATOM 1198 C CG1 . ILE A 1 148 ? -4.646 -10.273 -7.536 1.00 68.52 148 A 1 ATOM 1199 C CG2 . ILE A 1 148 ? -3.398 -12.369 -6.860 1.00 65.19 148 A 1 ATOM 1200 C CD1 . ILE A 1 148 ? -4.782 -9.617 -6.157 1.00 61.20 148 A 1 ATOM 1201 N N . GLN A 1 149 ? -5.638 -14.710 -8.529 1.00 68.38 149 A 1 ATOM 1202 C CA . GLN A 1 149 ? -5.526 -16.174 -8.574 1.00 71.08 149 A 1 ATOM 1203 C C . GLN A 1 149 ? -5.466 -16.703 -10.014 1.00 71.49 149 A 1 ATOM 1204 O O . GLN A 1 149 ? -4.683 -17.613 -10.304 1.00 75.63 149 A 1 ATOM 1205 C CB . GLN A 1 149 ? -6.699 -16.821 -7.815 1.00 72.00 149 A 1 ATOM 1206 C CG . GLN A 1 149 ? -6.646 -16.590 -6.293 1.00 67.78 149 A 1 ATOM 1207 C CD . GLN A 1 149 ? -5.436 -17.200 -5.598 1.00 63.34 149 A 1 ATOM 1208 O OE1 . GLN A 1 149 ? -4.720 -18.048 -6.108 1.00 59.25 149 A 1 ATOM 1209 N NE2 . GLN A 1 149 ? -5.147 -16.781 -4.385 1.00 56.01 149 A 1 ATOM 1210 N N . GLN A 1 150 ? -6.241 -16.128 -10.926 1.00 74.14 150 A 1 ATOM 1211 C CA . GLN A 1 150 ? -6.204 -16.489 -12.342 1.00 74.91 150 A 1 ATOM 1212 C C . GLN A 1 150 ? -4.846 -16.151 -12.970 1.00 72.99 150 A 1 ATOM 1213 O O . GLN A 1 150 ? -4.259 -17.005 -13.642 1.00 76.60 150 A 1 ATOM 1214 C CB . GLN A 1 150 ? -7.359 -15.792 -13.074 1.00 76.44 150 A 1 ATOM 1215 C CG . GLN A 1 150 ? -7.455 -16.242 -14.545 1.00 67.83 150 A 1 ATOM 1216 C CD . GLN A 1 150 ? -8.651 -15.630 -15.269 1.00 65.85 150 A 1 ATOM 1217 O OE1 . GLN A 1 150 ? -9.351 -14.762 -14.778 1.00 61.41 150 A 1 ATOM 1218 N NE2 . GLN A 1 150 ? -8.939 -16.066 -16.476 1.00 57.53 150 A 1 ATOM 1219 N N . TYR A 1 151 ? -4.300 -14.961 -12.703 1.00 74.45 151 A 1 ATOM 1220 C CA . TYR A 1 151 ? -2.977 -14.553 -13.176 1.00 73.44 151 A 1 ATOM 1221 C C . TYR A 1 151 ? -1.875 -15.497 -12.673 1.00 71.14 151 A 1 ATOM 1222 O O . TYR A 1 151 ? -1.076 -15.990 -13.470 1.00 74.84 151 A 1 ATOM 1223 C CB . TYR A 1 151 ? -2.710 -13.105 -12.747 1.00 73.35 151 A 1 ATOM 1224 C CG . TYR A 1 151 ? -1.335 -12.618 -13.163 1.00 66.20 151 A 1 ATOM 1225 C CD1 . TYR A 1 151 ? -0.262 -12.654 -12.246 1.00 62.41 151 A 1 ATOM 1226 C CD2 . TYR A 1 151 ? -1.118 -12.177 -14.481 1.00 61.21 151 A 1 ATOM 1227 C CE1 . TYR A 1 151 ? 1.021 -12.241 -12.647 1.00 55.62 151 A 1 ATOM 1228 C CE2 . TYR A 1 151 ? 0.169 -11.766 -14.888 1.00 57.17 151 A 1 ATOM 1229 C CZ . TYR A 1 151 ? 1.240 -11.798 -13.969 1.00 56.75 151 A 1 ATOM 1230 O OH . TYR A 1 151 ? 2.483 -11.404 -14.360 1.00 54.41 151 A 1 ATOM 1231 N N . LYS A 1 152 ? -1.865 -15.834 -11.380 1.00 75.06 152 A 1 ATOM 1232 C CA . LYS A 1 152 ? -0.894 -16.779 -10.800 1.00 73.64 152 A 1 ATOM 1233 C C . LYS A 1 152 ? -0.945 -18.154 -11.471 1.00 74.75 152 A 1 ATOM 1234 O O . LYS A 1 152 ? 0.101 -18.722 -11.775 1.00 78.11 152 A 1 ATOM 1235 C CB . LYS A 1 152 ? -1.121 -16.910 -9.282 1.00 72.23 152 A 1 ATOM 1236 C CG . LYS A 1 152 ? -0.617 -15.675 -8.521 1.00 70.20 152 A 1 ATOM 1237 C CD . LYS A 1 152 ? -0.888 -15.810 -7.014 1.00 65.13 152 A 1 ATOM 1238 C CE . LYS A 1 152 ? -0.348 -14.573 -6.290 1.00 60.87 152 A 1 ATOM 1239 N NZ . LYS A 1 152 ? -0.578 -14.626 -4.823 1.00 53.37 152 A 1 ATOM 1240 N N . ARG A 1 153 ? -2.137 -18.674 -11.753 1.00 74.28 153 A 1 ATOM 1241 C CA . ARG A 1 153 ? -2.301 -19.957 -12.462 1.00 76.40 153 A 1 ATOM 1242 C C . ARG A 1 153 ? -1.748 -19.902 -13.887 1.00 75.92 153 A 1 ATOM 1243 O O . ARG A 1 153 ? -1.024 -20.812 -14.286 1.00 79.33 153 A 1 ATOM 1244 C CB . ARG A 1 153 ? -3.779 -20.372 -12.501 1.00 77.66 153 A 1 ATOM 1245 C CG . ARG A 1 153 ? -4.279 -20.857 -11.135 1.00 70.15 153 A 1 ATOM 1246 C CD . ARG A 1 153 ? -5.772 -21.187 -11.243 1.00 69.14 153 A 1 ATOM 1247 N NE . ARG A 1 153 ? -6.342 -21.540 -9.931 1.00 60.03 153 A 1 ATOM 1248 C CZ . ARG A 1 153 ? -7.578 -21.944 -9.704 1.00 56.00 153 A 1 ATOM 1249 N NH1 . ARG A 1 153 ? -8.441 -22.100 -10.670 1.00 50.74 153 A 1 ATOM 1250 N NH2 . ARG A 1 153 ? -7.975 -22.195 -8.488 1.00 48.39 153 A 1 ATOM 1251 N N . LEU A 1 154 ? -2.055 -18.842 -14.635 1.00 75.07 154 A 1 ATOM 1252 C CA . LEU A 1 154 ? -1.545 -18.655 -15.995 1.00 74.78 154 A 1 ATOM 1253 C C . LEU A 1 154 ? -0.017 -18.543 -15.993 1.00 71.84 154 A 1 ATOM 1254 O O . LEU A 1 154 ? 0.647 -19.262 -16.733 1.00 74.61 154 A 1 ATOM 1255 C CB . LEU A 1 154 ? -2.199 -17.415 -16.629 1.00 77.85 154 A 1 ATOM 1256 C CG . LEU A 1 154 ? -3.686 -17.601 -16.991 1.00 74.80 154 A 1 ATOM 1257 C CD1 . LEU A 1 154 ? -4.285 -16.255 -17.399 1.00 69.61 154 A 1 ATOM 1258 C CD2 . LEU A 1 154 ? -3.881 -18.584 -18.150 1.00 73.79 154 A 1 ATOM 1259 N N . HIS A 1 155 ? 0.551 -17.730 -15.114 1.00 73.51 155 A 1 ATOM 1260 C CA . HIS A 1 155 ? 2.000 -17.570 -14.984 1.00 74.05 155 A 1 ATOM 1261 C C . HIS A 1 155 ? 2.691 -18.908 -14.678 1.00 71.40 155 A 1 ATOM 1262 O O . HIS A 1 155 ? 3.691 -19.251 -15.298 1.00 72.68 155 A 1 ATOM 1263 C CB . HIS A 1 155 ? 2.287 -16.522 -13.902 1.00 72.50 155 A 1 ATOM 1264 C CG . HIS A 1 155 ? 3.735 -16.100 -13.865 1.00 69.13 155 A 1 ATOM 1265 N ND1 . HIS A 1 155 ? 4.789 -16.811 -13.337 1.00 59.41 155 A 1 ATOM 1266 C CD2 . HIS A 1 155 ? 4.247 -14.932 -14.373 1.00 58.88 155 A 1 ATOM 1267 C CE1 . HIS A 1 155 ? 5.911 -16.101 -13.524 1.00 59.89 155 A 1 ATOM 1268 N NE2 . HIS A 1 155 ? 5.627 -14.941 -14.150 1.00 60.01 155 A 1 ATOM 1269 N N . GLN A 1 156 ? 2.125 -19.715 -13.789 1.00 75.51 156 A 1 ATOM 1270 C CA . GLN A 1 156 ? 2.663 -21.041 -13.473 1.00 77.50 156 A 1 ATOM 1271 C C . GLN A 1 156 ? 2.603 -22.013 -14.668 1.00 76.71 156 A 1 ATOM 1272 O O . GLN A 1 156 ? 3.491 -22.842 -14.821 1.00 76.85 156 A 1 ATOM 1273 C CB . GLN A 1 156 ? 1.915 -21.581 -12.245 1.00 76.87 156 A 1 ATOM 1274 C CG . GLN A 1 156 ? 2.600 -22.816 -11.647 1.00 68.86 156 A 1 ATOM 1275 C CD . GLN A 1 156 ? 1.981 -23.259 -10.327 1.00 63.68 156 A 1 ATOM 1276 O OE1 . GLN A 1 156 ? 0.882 -22.894 -9.938 1.00 60.06 156 A 1 ATOM 1277 N NE2 . GLN A 1 156 ? 2.672 -24.089 -9.574 1.00 56.07 156 A 1 ATOM 1278 N N . MET A 1 157 ? 1.602 -21.903 -15.536 1.00 74.74 157 A 1 ATOM 1279 C CA . MET A 1 157 ? 1.490 -22.731 -16.745 1.00 76.95 157 A 1 ATOM 1280 C C . MET A 1 157 ? 2.502 -22.359 -17.836 1.00 75.16 157 A 1 ATOM 1281 O O . MET A 1 157 ? 2.922 -23.238 -18.578 1.00 76.70 157 A 1 ATOM 1282 C CB . MET A 1 157 ? 0.072 -22.632 -17.321 1.00 77.81 157 A 1 ATOM 1283 C CG . MET A 1 157 ? -0.966 -23.370 -16.470 1.00 70.24 157 A 1 ATOM 1284 S SD . MET A 1 157 ? -2.681 -23.211 -17.057 1.00 65.22 157 A 1 ATOM 1285 C CE . MET A 1 157 ? -2.568 -24.106 -18.634 1.00 56.55 157 A 1 ATOM 1286 N N . PHE A 1 158 ? 2.883 -21.075 -17.956 1.00 78.91 158 A 1 ATOM 1287 C CA . PHE A 1 158 ? 3.769 -20.594 -19.022 1.00 79.58 158 A 1 ATOM 1288 C C . PHE A 1 158 ? 5.258 -20.580 -18.648 1.00 78.33 158 A 1 ATOM 1289 O O . PHE A 1 158 ? 6.091 -20.624 -19.548 1.00 78.04 158 A 1 ATOM 1290 C CB . PHE A 1 158 ? 3.299 -19.207 -19.488 1.00 79.26 158 A 1 ATOM 1291 C CG . PHE A 1 158 ? 2.010 -19.233 -20.299 1.00 77.17 158 A 1 ATOM 1292 C CD1 . PHE A 1 158 ? 1.998 -19.822 -21.573 1.00 70.63 158 A 1 ATOM 1293 C CD2 . PHE A 1 158 ? 0.826 -18.678 -19.782 1.00 72.90 158 A 1 ATOM 1294 C CE1 . PHE A 1 158 ? 0.808 -19.870 -22.322 1.00 68.84 158 A 1 ATOM 1295 C CE2 . PHE A 1 158 ? -0.368 -18.726 -20.531 1.00 68.37 158 A 1 ATOM 1296 C CZ . PHE A 1 158 ? -0.374 -19.325 -21.796 1.00 71.84 158 A 1 ATOM 1297 N N . TYR A 1 159 ? 5.611 -20.538 -17.357 1.00 80.83 159 A 1 ATOM 1298 C CA . TYR A 1 159 ? 7.000 -20.373 -16.895 1.00 82.77 159 A 1 ATOM 1299 C C . TYR A 1 159 ? 7.558 -21.567 -16.092 1.00 79.78 159 A 1 ATOM 1300 O O . TYR A 1 159 ? 8.711 -21.509 -15.676 1.00 74.51 159 A 1 ATOM 1301 C CB . TYR A 1 159 ? 7.130 -19.041 -16.144 1.00 79.75 159 A 1 ATOM 1302 C CG . TYR A 1 159 ? 6.940 -17.813 -17.023 1.00 79.11 159 A 1 ATOM 1303 C CD1 . TYR A 1 159 ? 8.018 -17.330 -17.790 1.00 73.26 159 A 1 ATOM 1304 C CD2 . TYR A 1 159 ? 5.696 -17.158 -17.080 1.00 72.12 159 A 1 ATOM 1305 C CE1 . TYR A 1 159 ? 7.857 -16.190 -18.605 1.00 68.74 159 A 1 ATOM 1306 C CE2 . TYR A 1 159 ? 5.527 -16.018 -17.896 1.00 68.02 159 A 1 ATOM 1307 C CZ . TYR A 1 159 ? 6.608 -15.534 -18.654 1.00 72.85 159 A 1 ATOM 1308 O OH . TYR A 1 159 ? 6.448 -14.430 -19.435 1.00 68.97 159 A 1 ATOM 1309 N N . ASN A 1 160 ? 6.803 -22.652 -15.888 1.00 78.83 160 A 1 ATOM 1310 C CA . ASN A 1 160 ? 7.274 -23.905 -15.259 1.00 80.06 160 A 1 ATOM 1311 C C . ASN A 1 160 ? 7.456 -25.064 -16.270 1.00 76.77 160 A 1 ATOM 1312 O O . ASN A 1 160 ? 7.262 -26.227 -15.913 1.00 73.23 160 A 1 ATOM 1313 C CB . ASN A 1 160 ? 6.378 -24.287 -14.063 1.00 77.34 160 A 1 ATOM 1314 C CG . ASN A 1 160 ? 6.669 -23.560 -12.768 1.00 73.74 160 A 1 ATOM 1315 O OD1 . ASN A 1 160 ? 7.610 -22.812 -12.594 1.00 67.25 160 A 1 ATOM 1316 N ND2 . ASN A 1 160 ? 5.870 -23.808 -11.753 1.00 66.04 160 A 1 ATOM 1317 N N . THR A 1 161 ? 7.814 -24.767 -17.541 1.00 81.70 161 A 1 ATOM 1318 C CA . THR A 1 161 ? 8.385 -25.728 -18.519 1.00 82.46 161 A 1 ATOM 1319 C C . THR A 1 161 ? 9.879 -25.489 -18.697 1.00 75.74 161 A 1 ATOM 1320 O O . THR A 1 161 ? 10.614 -26.485 -18.768 1.00 68.87 161 A 1 ATOM 1321 C CB . THR A 1 161 ? 7.710 -25.633 -19.895 1.00 75.51 161 A 1 ATOM 1322 O OG1 . THR A 1 161 ? 7.382 -24.288 -20.180 1.00 69.21 161 A 1 ATOM 1323 C CG2 . THR A 1 161 ? 6.432 -26.459 -19.960 1.00 67.48 161 A 1 ATOM 1324 O OXT . THR A 1 161 ? 10.246 -24.326 -18.802 1.00 70.19 161 A 1 #