# 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_qued # _entry.id qued # 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 ARG 2 1 n VAL 3 1 n SER 4 1 n LYS 5 1 n THR 6 1 n LEU 7 1 n THR 8 1 n PHE 9 1 n ASP 10 1 n ALA 11 1 n ALA 12 1 n HIS 13 1 n GLN 14 1 n LEU 15 1 n VAL 16 1 n GLY 17 1 n HIS 18 1 n PHE 19 1 n GLY 20 1 n LYS 21 1 n CYS 22 1 n ALA 23 1 n ASN 24 1 n LEU 25 1 n HIS 26 1 n GLY 27 1 n HIS 28 1 n THR 29 1 n TYR 30 1 n LYS 31 1 n VAL 32 1 n GLU 33 1 n ILE 34 1 n SER 35 1 n LEU 36 1 n ALA 37 1 n GLY 38 1 n GLY 39 1 n THR 40 1 n TYR 41 1 n ASP 42 1 n HIS 43 1 n GLY 44 1 n SER 45 1 n SER 46 1 n GLN 47 1 n GLY 48 1 n MET 49 1 n VAL 50 1 n VAL 51 1 n ASP 52 1 n PHE 53 1 n TYR 54 1 n HIS 55 1 n VAL 56 1 n LYS 57 1 n LYS 58 1 n ILE 59 1 n ALA 60 1 n GLY 61 1 n THR 62 1 n PHE 63 1 n ILE 64 1 n ASP 65 1 n ARG 66 1 n LEU 67 1 n ASP 68 1 n HIS 69 1 n ALA 70 1 n VAL 71 1 n LEU 72 1 n LEU 73 1 n GLN 74 1 n GLY 75 1 n ASN 76 1 n GLU 77 1 n PRO 78 1 n ILE 79 1 n ALA 80 1 n LEU 81 1 n ALA 82 1 n ASN 83 1 n ALA 84 1 n VAL 85 1 n ASP 86 1 n THR 87 1 n LYS 88 1 n ARG 89 1 n VAL 90 1 n LEU 91 1 n PHE 92 1 n GLY 93 1 n PHE 94 1 n ARG 95 1 n THR 96 1 n THR 97 1 n ALA 98 1 n GLU 99 1 n ASN 100 1 n MET 101 1 n SER 102 1 n ARG 103 1 n PHE 104 1 n LEU 105 1 n THR 106 1 n TRP 107 1 n THR 108 1 n LEU 109 1 n THR 110 1 n GLU 111 1 n LEU 112 1 n MET 113 1 n TRP 114 1 n LYS 115 1 n HIS 116 1 n ALA 117 1 n ARG 118 1 n ILE 119 1 n ASP 120 1 n SER 121 1 n ILE 122 1 n LYS 123 1 n LEU 124 1 n TRP 125 1 n GLU 126 1 n THR 127 1 n PRO 128 1 n THR 129 1 n GLY 130 1 n CYS 131 1 n ALA 132 1 n GLU 133 1 n CYS 134 1 n THR 135 1 n TYR 136 1 n TYR 137 1 n GLU 138 1 n ILE 139 1 n PHE 140 1 n THR 141 1 n GLU 142 1 n ASP 143 1 n GLU 144 1 n ILE 145 1 n GLU 146 1 n MET 147 1 n PHE 148 1 n LYS 149 1 n ASN 150 1 n VAL 151 1 n THR 152 1 n PHE 153 1 n ILE 154 1 n ASP 155 1 n LYS 156 1 n ASP 157 1 n GLU 158 1 n LYS 159 1 n ILE 160 1 n THR 161 1 n VAL 162 1 n ARG 163 1 n GLU 164 1 n ILE 165 1 n LEU 166 1 n GLU 167 1 n GLN 168 1 n GLU 169 1 n GLN 170 1 n ASP 171 1 n ASN 172 1 n GLY 173 # _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 01:32:02)" _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 92.09 _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 88.57 1 1 A ARG 2 2 84.53 1 2 A VAL 3 2 97.21 1 3 A SER 4 2 96.83 1 4 A LYS 5 2 94.95 1 5 A THR 6 2 96.90 1 6 A LEU 7 2 97.86 1 7 A THR 8 2 97.39 1 8 A PHE 9 2 98.54 1 9 A ASP 10 2 97.79 1 10 A ALA 11 2 98.17 1 11 A ALA 12 2 96.90 1 12 A HIS 13 2 96.32 1 13 A GLN 14 2 93.53 1 14 A LEU 15 2 95.91 1 15 A VAL 16 2 94.79 1 16 A GLY 17 2 94.92 1 17 A HIS 18 2 92.82 1 18 A PHE 19 2 86.67 1 19 A GLY 20 2 95.83 1 20 A LYS 21 2 93.36 1 21 A CYS 22 2 94.68 1 22 A ALA 23 2 95.24 1 23 A ASN 24 2 93.04 1 24 A LEU 25 2 92.69 1 25 A HIS 26 2 96.53 1 26 A GLY 27 2 97.73 1 27 A HIS 28 2 96.66 1 28 A THR 29 2 98.34 1 29 A TYR 30 2 98.47 1 30 A LYS 31 2 93.50 1 31 A VAL 32 2 98.14 1 32 A GLU 33 2 93.47 1 33 A ILE 34 2 98.08 1 34 A SER 35 2 96.00 1 35 A LEU 36 2 95.40 1 36 A ALA 37 2 93.81 1 37 A GLY 38 2 93.83 1 38 A GLY 39 2 94.68 1 39 A THR 40 2 94.06 1 40 A TYR 41 2 90.37 1 41 A ASP 42 2 91.09 1 42 A HIS 43 2 90.11 1 43 A GLY 44 2 95.39 1 44 A SER 45 2 93.43 1 45 A SER 46 2 94.16 1 46 A GLN 47 2 94.23 1 47 A GLY 48 2 96.72 1 48 A MET 49 2 95.19 1 49 A VAL 50 2 95.59 1 50 A VAL 51 2 95.32 1 51 A ASP 52 2 94.98 1 52 A PHE 53 2 96.14 1 53 A TYR 54 2 92.67 1 54 A HIS 55 2 91.49 1 55 A VAL 56 2 96.45 1 56 A LYS 57 2 86.34 1 57 A LYS 58 2 87.93 1 58 A ILE 59 2 93.90 1 59 A ALA 60 2 96.55 1 60 A GLY 61 2 96.82 1 61 A THR 62 2 93.99 1 62 A PHE 63 2 96.02 1 63 A ILE 64 2 96.90 1 64 A ASP 65 2 92.54 1 65 A ARG 66 2 94.79 1 66 A LEU 67 2 98.11 1 67 A ASP 68 2 97.62 1 68 A HIS 69 2 96.21 1 69 A ALA 70 2 96.71 1 70 A VAL 71 2 94.22 1 71 A LEU 72 2 96.80 1 72 A LEU 73 2 94.02 1 73 A GLN 74 2 93.90 1 74 A GLY 75 2 91.61 1 75 A ASN 76 2 88.47 1 76 A GLU 77 2 87.71 1 77 A PRO 78 2 84.24 1 78 A ILE 79 2 78.25 1 79 A ALA 80 2 82.60 1 80 A LEU 81 2 77.71 1 81 A ALA 82 2 75.52 1 82 A ASN 83 2 68.76 1 83 A ALA 84 2 70.39 1 84 A VAL 85 2 61.38 1 85 A ASP 86 2 71.20 1 86 A THR 87 2 83.31 1 87 A LYS 88 2 93.92 1 88 A ARG 89 2 88.91 1 89 A VAL 90 2 96.29 1 90 A LEU 91 2 91.79 1 91 A PHE 92 2 96.81 1 92 A GLY 93 2 96.50 1 93 A PHE 94 2 96.88 1 94 A ARG 95 2 93.35 1 95 A THR 96 2 96.90 1 96 A THR 97 2 97.76 1 97 A ALA 98 2 98.31 1 98 A GLU 99 2 96.95 1 99 A ASN 100 2 96.79 1 100 A MET 101 2 94.41 1 101 A SER 102 2 95.76 1 102 A ARG 103 2 92.77 1 103 A PHE 104 2 97.97 1 104 A LEU 105 2 97.91 1 105 A THR 106 2 96.90 1 106 A TRP 107 2 95.49 1 107 A THR 108 2 96.02 1 108 A LEU 109 2 96.75 1 109 A THR 110 2 95.32 1 110 A GLU 111 2 93.13 1 111 A LEU 112 2 94.91 1 112 A MET 113 2 90.39 1 113 A TRP 114 2 80.61 1 114 A LYS 115 2 83.31 1 115 A HIS 116 2 86.95 1 116 A ALA 117 2 91.02 1 117 A ARG 118 2 81.70 1 118 A ILE 119 2 94.39 1 119 A ASP 120 2 93.55 1 120 A SER 121 2 96.93 1 121 A ILE 122 2 97.18 1 122 A LYS 123 2 94.33 1 123 A LEU 124 2 97.99 1 124 A TRP 125 2 96.00 1 125 A GLU 126 2 94.80 1 126 A THR 127 2 97.09 1 127 A PRO 128 2 97.24 1 128 A THR 129 2 97.57 1 129 A GLY 130 2 97.87 1 130 A CYS 131 2 97.95 1 131 A ALA 132 2 98.40 1 132 A GLU 133 2 96.44 1 133 A CYS 134 2 97.00 1 134 A THR 135 2 92.75 1 135 A TYR 136 2 74.69 1 136 A TYR 137 2 72.27 1 137 A GLU 138 2 76.05 1 138 A ILE 139 2 76.99 1 139 A PHE 140 2 89.20 1 140 A THR 141 2 94.06 1 141 A GLU 142 2 87.32 1 142 A ASP 143 2 93.12 1 143 A GLU 144 2 91.85 1 144 A ILE 145 2 95.85 1 145 A GLU 146 2 92.99 1 146 A MET 147 2 92.28 1 147 A PHE 148 2 97.20 1 148 A LYS 149 2 95.67 1 149 A ASN 150 2 94.31 1 150 A VAL 151 2 97.82 1 151 A THR 152 2 95.82 1 152 A PHE 153 2 97.31 1 153 A ILE 154 2 93.55 1 154 A ASP 155 2 91.74 1 155 A LYS 156 2 83.94 1 156 A ASP 157 2 86.54 1 157 A GLU 158 2 83.18 1 158 A LYS 159 2 90.84 1 159 A ILE 160 2 96.33 1 160 A THR 161 2 97.23 1 161 A VAL 162 2 97.47 1 162 A ARG 163 2 93.96 1 163 A GLU 164 2 95.27 1 164 A ILE 165 2 96.56 1 165 A LEU 166 2 95.22 1 166 A GLU 167 2 92.29 1 167 A GLN 168 2 91.34 1 168 A GLU 169 2 82.16 1 169 A GLN 170 2 81.41 1 170 A ASP 171 2 84.65 1 171 A ASN 172 2 78.95 1 172 A GLY 173 2 72.44 1 173 # _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 ARG . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ASP . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n HIS . 13 A 13 A 14 1 n GLN . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n HIS . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n LYS . 21 A 21 A 22 1 n CYS . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n ASN . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n HIS . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n HIS . 28 A 28 A 29 1 n THR . 29 A 29 A 30 1 n TYR . 30 A 30 A 31 1 n LYS . 31 A 31 A 32 1 n VAL . 32 A 32 A 33 1 n GLU . 33 A 33 A 34 1 n ILE . 34 A 34 A 35 1 n SER . 35 A 35 A 36 1 n LEU . 36 A 36 A 37 1 n ALA . 37 A 37 A 38 1 n GLY . 38 A 38 A 39 1 n GLY . 39 A 39 A 40 1 n THR . 40 A 40 A 41 1 n TYR . 41 A 41 A 42 1 n ASP . 42 A 42 A 43 1 n HIS . 43 A 43 A 44 1 n GLY . 44 A 44 A 45 1 n SER . 45 A 45 A 46 1 n SER . 46 A 46 A 47 1 n GLN . 47 A 47 A 48 1 n GLY . 48 A 48 A 49 1 n MET . 49 A 49 A 50 1 n VAL . 50 A 50 A 51 1 n VAL . 51 A 51 A 52 1 n ASP . 52 A 52 A 53 1 n PHE . 53 A 53 A 54 1 n TYR . 54 A 54 A 55 1 n HIS . 55 A 55 A 56 1 n VAL . 56 A 56 A 57 1 n LYS . 57 A 57 A 58 1 n LYS . 58 A 58 A 59 1 n ILE . 59 A 59 A 60 1 n ALA . 60 A 60 A 61 1 n GLY . 61 A 61 A 62 1 n THR . 62 A 62 A 63 1 n PHE . 63 A 63 A 64 1 n ILE . 64 A 64 A 65 1 n ASP . 65 A 65 A 66 1 n ARG . 66 A 66 A 67 1 n LEU . 67 A 67 A 68 1 n ASP . 68 A 68 A 69 1 n HIS . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n VAL . 71 A 71 A 72 1 n LEU . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n GLN . 74 A 74 A 75 1 n GLY . 75 A 75 A 76 1 n ASN . 76 A 76 A 77 1 n GLU . 77 A 77 A 78 1 n PRO . 78 A 78 A 79 1 n ILE . 79 A 79 A 80 1 n ALA . 80 A 80 A 81 1 n LEU . 81 A 81 A 82 1 n ALA . 82 A 82 A 83 1 n ASN . 83 A 83 A 84 1 n ALA . 84 A 84 A 85 1 n VAL . 85 A 85 A 86 1 n ASP . 86 A 86 A 87 1 n THR . 87 A 87 A 88 1 n LYS . 88 A 88 A 89 1 n ARG . 89 A 89 A 90 1 n VAL . 90 A 90 A 91 1 n LEU . 91 A 91 A 92 1 n PHE . 92 A 92 A 93 1 n GLY . 93 A 93 A 94 1 n PHE . 94 A 94 A 95 1 n ARG . 95 A 95 A 96 1 n THR . 96 A 96 A 97 1 n THR . 97 A 97 A 98 1 n ALA . 98 A 98 A 99 1 n GLU . 99 A 99 A 100 1 n ASN . 100 A 100 A 101 1 n MET . 101 A 101 A 102 1 n SER . 102 A 102 A 103 1 n ARG . 103 A 103 A 104 1 n PHE . 104 A 104 A 105 1 n LEU . 105 A 105 A 106 1 n THR . 106 A 106 A 107 1 n TRP . 107 A 107 A 108 1 n THR . 108 A 108 A 109 1 n LEU . 109 A 109 A 110 1 n THR . 110 A 110 A 111 1 n GLU . 111 A 111 A 112 1 n LEU . 112 A 112 A 113 1 n MET . 113 A 113 A 114 1 n TRP . 114 A 114 A 115 1 n LYS . 115 A 115 A 116 1 n HIS . 116 A 116 A 117 1 n ALA . 117 A 117 A 118 1 n ARG . 118 A 118 A 119 1 n ILE . 119 A 119 A 120 1 n ASP . 120 A 120 A 121 1 n SER . 121 A 121 A 122 1 n ILE . 122 A 122 A 123 1 n LYS . 123 A 123 A 124 1 n LEU . 124 A 124 A 125 1 n TRP . 125 A 125 A 126 1 n GLU . 126 A 126 A 127 1 n THR . 127 A 127 A 128 1 n PRO . 128 A 128 A 129 1 n THR . 129 A 129 A 130 1 n GLY . 130 A 130 A 131 1 n CYS . 131 A 131 A 132 1 n ALA . 132 A 132 A 133 1 n GLU . 133 A 133 A 134 1 n CYS . 134 A 134 A 135 1 n THR . 135 A 135 A 136 1 n TYR . 136 A 136 A 137 1 n TYR . 137 A 137 A 138 1 n GLU . 138 A 138 A 139 1 n ILE . 139 A 139 A 140 1 n PHE . 140 A 140 A 141 1 n THR . 141 A 141 A 142 1 n GLU . 142 A 142 A 143 1 n ASP . 143 A 143 A 144 1 n GLU . 144 A 144 A 145 1 n ILE . 145 A 145 A 146 1 n GLU . 146 A 146 A 147 1 n MET . 147 A 147 A 148 1 n PHE . 148 A 148 A 149 1 n LYS . 149 A 149 A 150 1 n ASN . 150 A 150 A 151 1 n VAL . 151 A 151 A 152 1 n THR . 152 A 152 A 153 1 n PHE . 153 A 153 A 154 1 n ILE . 154 A 154 A 155 1 n ASP . 155 A 155 A 156 1 n LYS . 156 A 156 A 157 1 n ASP . 157 A 157 A 158 1 n GLU . 158 A 158 A 159 1 n LYS . 159 A 159 A 160 1 n ILE . 160 A 160 A 161 1 n THR . 161 A 161 A 162 1 n VAL . 162 A 162 A 163 1 n ARG . 163 A 163 A 164 1 n GLU . 164 A 164 A 165 1 n ILE . 165 A 165 A 166 1 n LEU . 166 A 166 A 167 1 n GLU . 167 A 167 A 168 1 n GLN . 168 A 168 A 169 1 n GLU . 169 A 169 A 170 1 n GLN . 170 A 170 A 171 1 n ASP . 171 A 171 A 172 1 n ASN . 172 A 172 A 173 1 n GLY . 173 A 173 # _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 ? 5.495 -18.014 -9.460 1.00 90.14 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.298 -18.428 -8.687 1.00 93.64 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.729 -17.203 -8.001 1.00 94.59 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.480 -16.269 -7.746 1.00 92.86 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.676 -19.536 -7.691 1.00 90.19 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.498 -20.049 -6.856 1.00 83.88 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.943 -21.409 -5.745 1.00 84.44 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.049 -22.809 -6.888 1.00 78.82 1 A 1 ATOM 9 N N . ARG A 1 2 ? 2.410 -17.153 -7.737 1.00 95.85 2 A 1 ATOM 10 C CA . ARG A 1 2 ? 1.721 -16.082 -6.998 1.00 96.27 2 A 1 ATOM 11 C C . ARG A 1 2 ? 1.131 -16.658 -5.712 1.00 97.01 2 A 1 ATOM 12 O O . ARG A 1 2 ? 0.582 -17.755 -5.733 1.00 96.44 2 A 1 ATOM 13 C CB . ARG A 1 2 ? 0.655 -15.443 -7.902 1.00 94.53 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -0.039 -14.227 -7.266 1.00 85.48 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -1.190 -13.705 -8.142 1.00 86.05 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -0.716 -13.068 -9.388 1.00 77.08 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -1.437 -12.717 -10.438 1.00 72.64 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -2.707 -12.963 -10.539 1.00 67.21 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -0.875 -12.085 -11.422 1.00 61.25 2 A 1 ATOM 20 N N . VAL A 1 3 ? 1.246 -15.911 -4.619 1.00 97.46 3 A 1 ATOM 21 C CA . VAL A 1 3 ? 0.618 -16.189 -3.315 1.00 97.67 3 A 1 ATOM 22 C C . VAL A 1 3 ? -0.090 -14.926 -2.836 1.00 97.96 3 A 1 ATOM 23 O O . VAL A 1 3 ? 0.292 -13.828 -3.229 1.00 97.85 3 A 1 ATOM 24 C CB . VAL A 1 3 ? 1.632 -16.679 -2.266 1.00 97.37 3 A 1 ATOM 25 C CG1 . VAL A 1 3 ? 2.276 -18.000 -2.699 1.00 96.31 3 A 1 ATOM 26 C CG2 . VAL A 1 3 ? 2.740 -15.664 -1.960 1.00 95.87 3 A 1 ATOM 27 N N . SER A 1 4 ? -1.113 -15.062 -2.000 1.00 98.24 4 A 1 ATOM 28 C CA . SER A 1 4 ? -1.879 -13.904 -1.525 1.00 98.19 4 A 1 ATOM 29 C C . SER A 1 4 ? -2.124 -13.957 -0.023 1.00 98.33 4 A 1 ATOM 30 O O . SER A 1 4 ? -2.333 -15.023 0.562 1.00 97.92 4 A 1 ATOM 31 C CB . SER A 1 4 ? -3.204 -13.747 -2.282 1.00 97.41 4 A 1 ATOM 32 O OG . SER A 1 4 ? -2.983 -13.622 -3.676 1.00 90.86 4 A 1 ATOM 33 N N . LYS A 1 5 ? -2.120 -12.781 0.607 1.00 98.28 5 A 1 ATOM 34 C CA . LYS A 1 5 ? -2.502 -12.578 2.002 1.00 98.27 5 A 1 ATOM 35 C C . LYS A 1 5 ? -3.600 -11.527 2.070 1.00 98.45 5 A 1 ATOM 36 O O . LYS A 1 5 ? -3.463 -10.453 1.501 1.00 98.27 5 A 1 ATOM 37 C CB . LYS A 1 5 ? -1.260 -12.174 2.820 1.00 97.89 5 A 1 ATOM 38 C CG . LYS A 1 5 ? -1.521 -12.001 4.326 1.00 96.27 5 A 1 ATOM 39 C CD . LYS A 1 5 ? -1.923 -13.320 5.001 1.00 93.43 5 A 1 ATOM 40 C CE . LYS A 1 5 ? -2.120 -13.108 6.503 1.00 90.07 5 A 1 ATOM 41 N NZ . LYS A 1 5 ? -2.553 -14.367 7.161 1.00 83.61 5 A 1 ATOM 42 N N . THR A 1 6 ? -4.665 -11.831 2.800 1.00 98.44 6 A 1 ATOM 43 C CA . THR A 1 6 ? -5.760 -10.888 3.038 1.00 98.39 6 A 1 ATOM 44 C C . THR A 1 6 ? -5.629 -10.253 4.418 1.00 98.45 6 A 1 ATOM 45 O O . THR A 1 6 ? -5.364 -10.947 5.403 1.00 97.98 6 A 1 ATOM 46 C CB . THR A 1 6 ? -7.118 -11.576 2.862 1.00 97.77 6 A 1 ATOM 47 O OG1 . THR A 1 6 ? -7.201 -12.151 1.577 1.00 93.88 6 A 1 ATOM 48 C CG2 . THR A 1 6 ? -8.285 -10.598 2.979 1.00 93.40 6 A 1 ATOM 49 N N . LEU A 1 7 ? -5.837 -8.939 4.468 1.00 98.39 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -5.958 -8.122 5.673 1.00 98.39 7 A 1 ATOM 51 C C . LEU A 1 7 ? -7.284 -7.350 5.610 1.00 98.56 7 A 1 ATOM 52 O O . LEU A 1 7 ? -7.860 -7.192 4.539 1.00 98.38 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -4.749 -7.176 5.775 1.00 98.25 7 A 1 ATOM 54 C CG . LEU A 1 7 ? -3.375 -7.874 5.829 1.00 97.65 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? -2.259 -6.837 5.772 1.00 96.74 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? -3.190 -8.698 7.107 1.00 96.48 7 A 1 ATOM 57 N N . THR A 1 8 ? -7.764 -6.880 6.749 1.00 98.59 8 A 1 ATOM 58 C CA . THR A 1 8 ? -8.998 -6.086 6.841 1.00 98.59 8 A 1 ATOM 59 C C . THR A 1 8 ? -8.765 -4.876 7.732 1.00 98.63 8 A 1 ATOM 60 O O . THR A 1 8 ? -7.944 -4.959 8.640 1.00 98.42 8 A 1 ATOM 61 C CB . THR A 1 8 ? -10.170 -6.900 7.419 1.00 98.28 8 A 1 ATOM 62 O OG1 . THR A 1 8 ? -9.781 -7.536 8.622 1.00 94.99 8 A 1 ATOM 63 C CG2 . THR A 1 8 ? -10.631 -7.994 6.463 1.00 94.25 8 A 1 ATOM 64 N N . PHE A 1 9 ? -9.507 -3.803 7.489 1.00 98.56 9 A 1 ATOM 65 C CA . PHE A 1 9 ? -9.593 -2.654 8.386 1.00 98.63 9 A 1 ATOM 66 C C . PHE A 1 9 ? -10.984 -2.025 8.289 1.00 98.72 9 A 1 ATOM 67 O O . PHE A 1 9 ? -11.618 -2.066 7.230 1.00 98.61 9 A 1 ATOM 68 C CB . PHE A 1 9 ? -8.483 -1.641 8.059 1.00 98.60 9 A 1 ATOM 69 C CG . PHE A 1 9 ? -8.583 -0.967 6.702 1.00 98.75 9 A 1 ATOM 70 C CD1 . PHE A 1 9 ? -7.989 -1.552 5.564 1.00 98.44 9 A 1 ATOM 71 C CD2 . PHE A 1 9 ? -9.244 0.267 6.580 1.00 98.55 9 A 1 ATOM 72 C CE1 . PHE A 1 9 ? -8.046 -0.900 4.321 1.00 98.31 9 A 1 ATOM 73 C CE2 . PHE A 1 9 ? -9.303 0.919 5.336 1.00 98.28 9 A 1 ATOM 74 C CZ . PHE A 1 9 ? -8.700 0.340 4.205 1.00 98.52 9 A 1 ATOM 75 N N . ASP A 1 10 ? -11.453 -1.438 9.382 1.00 98.74 10 A 1 ATOM 76 C CA . ASP A 1 10 ? -12.713 -0.706 9.444 1.00 98.68 10 A 1 ATOM 77 C C . ASP A 1 10 ? -12.427 0.793 9.371 1.00 98.58 10 A 1 ATOM 78 O O . ASP A 1 10 ? -11.664 1.327 10.173 1.00 98.10 10 A 1 ATOM 79 C CB . ASP A 1 10 ? -13.483 -1.077 10.718 1.00 98.56 10 A 1 ATOM 80 C CG . ASP A 1 10 ? -13.992 -2.523 10.688 1.00 98.04 10 A 1 ATOM 81 O OD1 . ASP A 1 10 ? -14.591 -2.915 9.654 1.00 95.89 10 A 1 ATOM 82 O OD2 . ASP A 1 10 ? -13.828 -3.245 11.692 1.00 95.70 10 A 1 ATOM 83 N N . ALA A 1 11 ? -13.027 1.496 8.414 1.00 98.39 11 A 1 ATOM 84 C CA . ALA A 1 11 ? -12.796 2.931 8.283 1.00 98.31 11 A 1 ATOM 85 C C . ALA A 1 11 ? -14.012 3.672 7.726 1.00 98.14 11 A 1 ATOM 86 O O . ALA A 1 11 ? -14.799 3.134 6.944 1.00 97.78 11 A 1 ATOM 87 C CB . ALA A 1 11 ? -11.548 3.174 7.428 1.00 98.24 11 A 1 ATOM 88 N N . ALA A 1 12 ? -14.132 4.942 8.116 1.00 97.46 12 A 1 ATOM 89 C CA . ALA A 1 12 ? -15.112 5.860 7.551 1.00 97.00 12 A 1 ATOM 90 C C . ALA A 1 12 ? -14.487 6.712 6.435 1.00 97.07 12 A 1 ATOM 91 O O . ALA A 1 12 ? -13.299 7.013 6.463 1.00 96.77 12 A 1 ATOM 92 C CB . ALA A 1 12 ? -15.708 6.716 8.673 1.00 96.20 12 A 1 ATOM 93 N N . HIS A 1 13 ? -15.308 7.133 5.478 1.00 96.19 13 A 1 ATOM 94 C CA . HIS A 1 13 ? -14.907 8.083 4.441 1.00 96.81 13 A 1 ATOM 95 C C . HIS A 1 13 ? -16.101 8.880 3.909 1.00 96.80 13 A 1 ATOM 96 O O . HIS A 1 13 ? -17.259 8.600 4.221 1.00 96.42 13 A 1 ATOM 97 C CB . HIS A 1 13 ? -14.121 7.366 3.329 1.00 97.26 13 A 1 ATOM 98 C CG . HIS A 1 13 ? -14.925 6.637 2.279 1.00 97.56 13 A 1 ATOM 99 N ND1 . HIS A 1 13 ? -14.547 6.497 0.953 1.00 95.37 13 A 1 ATOM 100 C CD2 . HIS A 1 13 ? -16.134 6.012 2.420 1.00 95.63 13 A 1 ATOM 101 C CE1 . HIS A 1 13 ? -15.504 5.799 0.323 1.00 95.38 13 A 1 ATOM 102 N NE2 . HIS A 1 13 ? -16.492 5.493 1.175 1.00 95.81 13 A 1 ATOM 103 N N . GLN A 1 14 ? -15.809 9.897 3.103 1.00 96.00 14 A 1 ATOM 104 C CA . GLN A 1 14 ? -16.800 10.721 2.417 1.00 95.90 14 A 1 ATOM 105 C C . GLN A 1 14 ? -16.275 11.127 1.039 1.00 96.33 14 A 1 ATOM 106 O O . GLN A 1 14 ? -15.155 11.611 0.912 1.00 95.91 14 A 1 ATOM 107 C CB . GLN A 1 14 ? -17.121 11.942 3.296 1.00 94.81 14 A 1 ATOM 108 C CG . GLN A 1 14 ? -18.115 12.911 2.637 1.00 93.28 14 A 1 ATOM 109 C CD . GLN A 1 14 ? -18.514 14.093 3.512 1.00 92.92 14 A 1 ATOM 110 O OE1 . GLN A 1 14 ? -17.934 14.411 4.533 1.00 89.18 14 A 1 ATOM 111 N NE2 . GLN A 1 14 ? -19.542 14.821 3.122 1.00 87.47 14 A 1 ATOM 112 N N . LEU A 1 15 ? -17.114 11.003 0.013 1.00 95.96 15 A 1 ATOM 113 C CA . LEU A 1 15 ? -16.797 11.501 -1.328 1.00 96.26 15 A 1 ATOM 114 C C . LEU A 1 15 ? -17.514 12.837 -1.577 1.00 96.26 15 A 1 ATOM 115 O O . LEU A 1 15 ? -18.606 12.881 -2.151 1.00 95.85 15 A 1 ATOM 116 C CB . LEU A 1 15 ? -17.113 10.433 -2.388 1.00 96.71 15 A 1 ATOM 117 C CG . LEU A 1 15 ? -16.363 9.094 -2.227 1.00 96.18 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? -16.697 8.193 -3.417 1.00 95.06 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? -14.844 9.263 -2.163 1.00 95.01 15 A 1 ATOM 120 N N . VAL A 1 16 ? -16.896 13.944 -1.140 1.00 95.81 16 A 1 ATOM 121 C CA . VAL A 1 16 ? -17.461 15.295 -1.293 1.00 95.74 16 A 1 ATOM 122 C C . VAL A 1 16 ? -17.800 15.573 -2.765 1.00 96.13 16 A 1 ATOM 123 O O . VAL A 1 16 ? -17.013 15.304 -3.673 1.00 95.67 16 A 1 ATOM 124 C CB . VAL A 1 16 ? -16.523 16.372 -0.714 1.00 94.90 16 A 1 ATOM 125 C CG1 . VAL A 1 16 ? -17.079 17.788 -0.901 1.00 92.56 16 A 1 ATOM 126 C CG2 . VAL A 1 16 ? -16.330 16.150 0.793 1.00 92.71 16 A 1 ATOM 127 N N . GLY A 1 17 ? -19.008 16.099 -3.004 1.00 94.62 17 A 1 ATOM 128 C CA . GLY A 1 17 ? -19.513 16.396 -4.349 1.00 94.74 17 A 1 ATOM 129 C C . GLY A 1 17 ? -19.987 15.181 -5.159 1.00 95.92 17 A 1 ATOM 130 O O . GLY A 1 17 ? -20.310 15.332 -6.333 1.00 94.41 17 A 1 ATOM 131 N N . HIS A 1 18 ? -20.052 13.979 -4.574 1.00 95.46 18 A 1 ATOM 132 C CA . HIS A 1 18 ? -20.678 12.831 -5.232 1.00 95.92 18 A 1 ATOM 133 C C . HIS A 1 18 ? -22.207 13.011 -5.294 1.00 95.96 18 A 1 ATOM 134 O O . HIS A 1 18 ? -22.831 13.423 -4.321 1.00 95.18 18 A 1 ATOM 135 C CB . HIS A 1 18 ? -20.278 11.540 -4.506 1.00 96.00 18 A 1 ATOM 136 C CG . HIS A 1 18 ? -20.720 10.289 -5.221 1.00 95.92 18 A 1 ATOM 137 N ND1 . HIS A 1 18 ? -21.865 9.575 -4.984 1.00 85.48 18 A 1 ATOM 138 C CD2 . HIS A 1 18 ? -20.070 9.659 -6.246 1.00 87.68 18 A 1 ATOM 139 C CE1 . HIS A 1 18 ? -21.907 8.538 -5.841 1.00 89.46 18 A 1 ATOM 140 N NE2 . HIS A 1 18 ? -20.831 8.554 -6.634 1.00 91.18 18 A 1 ATOM 141 N N . PHE A 1 19 ? -22.835 12.657 -6.421 1.00 96.41 19 A 1 ATOM 142 C CA . PHE A 1 19 ? -24.287 12.841 -6.608 1.00 95.89 19 A 1 ATOM 143 C C . PHE A 1 19 ? -25.160 11.829 -5.843 1.00 95.97 19 A 1 ATOM 144 O O . PHE A 1 19 ? -26.370 12.018 -5.712 1.00 91.88 19 A 1 ATOM 145 C CB . PHE A 1 19 ? -24.606 12.788 -8.111 1.00 94.48 19 A 1 ATOM 146 C CG . PHE A 1 19 ? -23.968 13.910 -8.912 1.00 89.03 19 A 1 ATOM 147 C CD1 . PHE A 1 19 ? -24.523 15.205 -8.864 1.00 82.16 19 A 1 ATOM 148 C CD2 . PHE A 1 19 ? -22.829 13.670 -9.697 1.00 81.88 19 A 1 ATOM 149 C CE1 . PHE A 1 19 ? -23.939 16.255 -9.593 1.00 74.96 19 A 1 ATOM 150 C CE2 . PHE A 1 19 ? -22.241 14.721 -10.428 1.00 76.49 19 A 1 ATOM 151 C CZ . PHE A 1 19 ? -22.797 16.013 -10.379 1.00 74.20 19 A 1 ATOM 152 N N . GLY A 1 20 ? -24.574 10.732 -5.357 1.00 95.88 20 A 1 ATOM 153 C CA . GLY A 1 20 ? -25.267 9.648 -4.662 1.00 95.68 20 A 1 ATOM 154 C C . GLY A 1 20 ? -24.981 9.594 -3.161 1.00 96.43 20 A 1 ATOM 155 O O . GLY A 1 20 ? -24.485 10.542 -2.557 1.00 95.31 20 A 1 ATOM 156 N N . LYS A 1 21 ? -25.279 8.444 -2.543 1.00 96.63 21 A 1 ATOM 157 C CA . LYS A 1 21 ? -25.150 8.225 -1.091 1.00 96.35 21 A 1 ATOM 158 C C . LYS A 1 21 ? -23.724 8.404 -0.557 1.00 96.50 21 A 1 ATOM 159 O O . LYS A 1 21 ? -23.577 8.810 0.590 1.00 95.41 21 A 1 ATOM 160 C CB . LYS A 1 21 ? -25.684 6.831 -0.714 1.00 95.99 21 A 1 ATOM 161 C CG . LYS A 1 21 ? -27.195 6.684 -0.952 1.00 95.33 21 A 1 ATOM 162 C CD . LYS A 1 21 ? -27.669 5.292 -0.505 1.00 92.67 21 A 1 ATOM 163 C CE . LYS A 1 21 ? -29.177 5.125 -0.727 1.00 89.33 21 A 1 ATOM 164 N NZ . LYS A 1 21 ? -29.638 3.772 -0.320 1.00 82.05 21 A 1 ATOM 165 N N . CYS A 1 22 ? -22.708 8.180 -1.389 1.00 95.68 22 A 1 ATOM 166 C CA . CYS A 1 22 ? -21.294 8.344 -1.022 1.00 95.40 22 A 1 ATOM 167 C C . CYS A 1 22 ? -20.895 9.804 -0.728 1.00 95.47 22 A 1 ATOM 168 O O . CYS A 1 22 ? -19.793 10.050 -0.245 1.00 94.63 22 A 1 ATOM 169 C CB . CYS A 1 22 ? -20.415 7.759 -2.139 1.00 94.79 22 A 1 ATOM 170 S SG . CYS A 1 22 ? -20.925 6.072 -2.562 1.00 92.08 22 A 1 ATOM 171 N N . ALA A 1 23 ? -21.782 10.784 -0.988 1.00 95.96 23 A 1 ATOM 172 C CA . ALA A 1 23 ? -21.602 12.163 -0.532 1.00 95.43 23 A 1 ATOM 173 C C . ALA A 1 23 ? -21.745 12.328 0.992 1.00 95.21 23 A 1 ATOM 174 O O . ALA A 1 23 ? -21.319 13.349 1.531 1.00 94.33 23 A 1 ATOM 175 C CB . ALA A 1 23 ? -22.620 13.061 -1.245 1.00 95.28 23 A 1 ATOM 176 N N . ASN A 1 24 ? -22.357 11.363 1.684 1.00 95.90 24 A 1 ATOM 177 C CA . ASN A 1 24 ? -22.468 11.371 3.141 1.00 95.51 24 A 1 ATOM 178 C C . ASN A 1 24 ? -21.259 10.678 3.766 1.00 95.48 24 A 1 ATOM 179 O O . ASN A 1 24 ? -20.709 9.753 3.180 1.00 94.63 24 A 1 ATOM 180 C CB . ASN A 1 24 ? -23.775 10.693 3.576 1.00 95.43 24 A 1 ATOM 181 C CG . ASN A 1 24 ? -24.989 11.360 2.967 1.00 93.80 24 A 1 ATOM 182 O OD1 . ASN A 1 24 ? -25.383 12.454 3.331 1.00 87.36 24 A 1 ATOM 183 N ND2 . ASN A 1 24 ? -25.610 10.732 1.998 1.00 86.20 24 A 1 ATOM 184 N N . LEU A 1 25 ? -20.901 11.076 4.994 1.00 94.66 25 A 1 ATOM 185 C CA . LEU A 1 25 ? -19.968 10.305 5.809 1.00 94.44 25 A 1 ATOM 186 C C . LEU A 1 25 ? -20.569 8.916 6.072 1.00 95.28 25 A 1 ATOM 187 O O . LEU A 1 25 ? -21.679 8.798 6.593 1.00 94.88 25 A 1 ATOM 188 C CB . LEU A 1 25 ? -19.669 11.072 7.112 1.00 93.09 25 A 1 ATOM 189 C CG . LEU A 1 25 ? -18.628 10.389 8.020 1.00 91.03 25 A 1 ATOM 190 C CD1 . LEU A 1 25 ? -17.232 10.391 7.398 1.00 89.27 25 A 1 ATOM 191 C CD2 . LEU A 1 25 ? -18.550 11.133 9.355 1.00 88.85 25 A 1 ATOM 192 N N . HIS A 1 26 ? -19.838 7.881 5.689 1.00 95.94 26 A 1 ATOM 193 C CA . HIS A 1 26 ? -20.206 6.476 5.857 1.00 96.71 26 A 1 ATOM 194 C C . HIS A 1 26 ? -18.942 5.639 6.052 1.00 97.14 26 A 1 ATOM 195 O O . HIS A 1 26 ? -17.840 6.173 6.010 1.00 97.09 26 A 1 ATOM 196 C CB . HIS A 1 26 ? -21.048 6.010 4.662 1.00 97.12 26 A 1 ATOM 197 C CG . HIS A 1 26 ? -20.333 6.020 3.338 1.00 97.28 26 A 1 ATOM 198 N ND1 . HIS A 1 26 ? -19.956 7.138 2.627 1.00 95.92 26 A 1 ATOM 199 C CD2 . HIS A 1 26 ? -19.993 4.932 2.583 1.00 95.95 26 A 1 ATOM 200 C CE1 . HIS A 1 26 ? -19.407 6.724 1.474 1.00 95.89 26 A 1 ATOM 201 N NE2 . HIS A 1 26 ? -19.416 5.391 1.403 1.00 96.21 26 A 1 ATOM 202 N N . GLY A 1 27 ? -19.090 4.340 6.318 1.00 97.48 27 A 1 ATOM 203 C CA . GLY A 1 27 ? -17.946 3.474 6.594 1.00 97.70 27 A 1 ATOM 204 C C . GLY A 1 27 ? -18.096 2.088 5.997 1.00 98.11 27 A 1 ATOM 205 O O . GLY A 1 27 ? -19.200 1.674 5.631 1.00 97.61 27 A 1 ATOM 206 N N . HIS A 1 28 ? -16.972 1.399 5.911 1.00 98.09 28 A 1 ATOM 207 C CA . HIS A 1 28 ? -16.852 0.058 5.358 1.00 98.16 28 A 1 ATOM 208 C C . HIS A 1 28 ? -15.863 -0.766 6.178 1.00 98.42 28 A 1 ATOM 209 O O . HIS A 1 28 ? -14.873 -0.238 6.681 1.00 98.00 28 A 1 ATOM 210 C CB . HIS A 1 28 ? -16.362 0.140 3.910 1.00 97.74 28 A 1 ATOM 211 C CG . HIS A 1 28 ? -17.281 0.911 2.996 1.00 97.70 28 A 1 ATOM 212 N ND1 . HIS A 1 28 ? -18.506 0.478 2.524 1.00 94.34 28 A 1 ATOM 213 C CD2 . HIS A 1 28 ? -17.037 2.145 2.470 1.00 94.65 28 A 1 ATOM 214 C CE1 . HIS A 1 28 ? -18.979 1.435 1.714 1.00 94.43 28 A 1 ATOM 215 N NE2 . HIS A 1 28 ? -18.124 2.462 1.657 1.00 95.06 28 A 1 ATOM 216 N N . THR A 1 29 ? -16.096 -2.073 6.200 1.00 98.61 29 A 1 ATOM 217 C CA . THR A 1 29 ? -15.047 -3.052 6.479 1.00 98.66 29 A 1 ATOM 218 C C . THR A 1 29 ? -14.315 -3.327 5.169 1.00 98.72 29 A 1 ATOM 219 O O . THR A 1 29 ? -14.781 -4.100 4.324 1.00 98.55 29 A 1 ATOM 220 C CB . THR A 1 29 ? -15.632 -4.346 7.062 1.00 98.50 29 A 1 ATOM 221 O OG1 . THR A 1 29 ? -16.376 -4.061 8.220 1.00 97.74 29 A 1 ATOM 222 C CG2 . THR A 1 29 ? -14.546 -5.357 7.426 1.00 97.59 29 A 1 ATOM 223 N N . TYR A 1 30 ? -13.172 -2.654 4.981 1.00 98.79 30 A 1 ATOM 224 C CA . TYR A 1 30 ? -12.329 -2.848 3.810 1.00 98.81 30 A 1 ATOM 225 C C . TYR A 1 30 ? -11.589 -4.176 3.904 1.00 98.81 30 A 1 ATOM 226 O O . TYR A 1 30 ? -11.122 -4.585 4.971 1.00 98.64 30 A 1 ATOM 227 C CB . TYR A 1 30 ? -11.345 -1.686 3.652 1.00 98.75 30 A 1 ATOM 228 C CG . TYR A 1 30 ? -11.993 -0.376 3.252 1.00 98.75 30 A 1 ATOM 229 C CD1 . TYR A 1 30 ? -12.191 -0.077 1.888 1.00 98.38 30 A 1 ATOM 230 C CD2 . TYR A 1 30 ? -12.382 0.554 4.237 1.00 98.43 30 A 1 ATOM 231 C CE1 . TYR A 1 30 ? -12.769 1.149 1.508 1.00 98.14 30 A 1 ATOM 232 C CE2 . TYR A 1 30 ? -12.963 1.782 3.859 1.00 98.12 30 A 1 ATOM 233 C CZ . TYR A 1 30 ? -13.152 2.083 2.493 1.00 98.31 30 A 1 ATOM 234 O OH . TYR A 1 30 ? -13.702 3.274 2.125 1.00 97.67 30 A 1 ATOM 235 N N . LYS A 1 31 ? -11.424 -4.838 2.769 1.00 98.74 31 A 1 ATOM 236 C CA . LYS A 1 31 ? -10.577 -6.026 2.638 1.00 98.72 31 A 1 ATOM 237 C C . LYS A 1 31 ? -9.480 -5.749 1.621 1.00 98.77 31 A 1 ATOM 238 O O . LYS A 1 31 ? -9.765 -5.444 0.466 1.00 98.58 31 A 1 ATOM 239 C CB . LYS A 1 31 ? -11.458 -7.240 2.288 1.00 98.37 31 A 1 ATOM 240 C CG . LYS A 1 31 ? -10.666 -8.540 2.118 1.00 94.04 31 A 1 ATOM 241 C CD . LYS A 1 31 ? -11.541 -9.698 1.590 1.00 92.79 31 A 1 ATOM 242 C CE . LYS A 1 31 ? -11.878 -9.454 0.110 1.00 83.28 31 A 1 ATOM 243 N NZ . LYS A 1 31 ? -12.676 -10.544 -0.498 1.00 78.22 31 A 1 ATOM 244 N N . VAL A 1 32 ? -8.226 -5.895 2.051 1.00 98.71 32 A 1 ATOM 245 C CA . VAL A 1 32 ? -7.024 -5.723 1.228 1.00 98.71 32 A 1 ATOM 246 C C . VAL A 1 32 ? -6.451 -7.098 0.923 1.00 98.69 32 A 1 ATOM 247 O O . VAL A 1 32 ? -5.946 -7.778 1.816 1.00 98.40 32 A 1 ATOM 248 C CB . VAL A 1 32 ? -5.975 -4.835 1.930 1.00 98.50 32 A 1 ATOM 249 C CG1 . VAL A 1 32 ? -4.848 -4.471 0.955 1.00 96.95 32 A 1 ATOM 250 C CG2 . VAL A 1 32 ? -6.574 -3.530 2.465 1.00 97.03 32 A 1 ATOM 251 N N . GLU A 1 33 ? -6.523 -7.522 -0.329 1.00 98.60 33 A 1 ATOM 252 C CA . GLU A 1 33 ? -5.860 -8.728 -0.815 1.00 98.54 33 A 1 ATOM 253 C C . GLU A 1 33 ? -4.529 -8.336 -1.460 1.00 98.59 33 A 1 ATOM 254 O O . GLU A 1 33 ? -4.489 -7.667 -2.489 1.00 98.32 33 A 1 ATOM 255 C CB . GLU A 1 33 ? -6.794 -9.489 -1.763 1.00 98.14 33 A 1 ATOM 256 C CG . GLU A 1 33 ? -6.225 -10.836 -2.221 1.00 92.19 33 A 1 ATOM 257 C CD . GLU A 1 33 ? -7.189 -11.548 -3.188 1.00 91.31 33 A 1 ATOM 258 O OE1 . GLU A 1 33 ? -6.727 -11.990 -4.263 1.00 81.43 33 A 1 ATOM 259 O OE2 . GLU A 1 33 ? -8.403 -11.631 -2.862 1.00 84.07 33 A 1 ATOM 260 N N . ILE A 1 34 ? -3.437 -8.748 -0.819 1.00 98.41 34 A 1 ATOM 261 C CA . ILE A 1 34 ? -2.058 -8.482 -1.215 1.00 98.43 34 A 1 ATOM 262 C C . ILE A 1 34 ? -1.546 -9.718 -1.943 1.00 98.32 34 A 1 ATOM 263 O O . ILE A 1 34 ? -1.306 -10.755 -1.314 1.00 98.03 34 A 1 ATOM 264 C CB . ILE A 1 34 ? -1.192 -8.150 0.022 1.00 98.40 34 A 1 ATOM 265 C CG1 . ILE A 1 34 ? -1.826 -7.012 0.858 1.00 97.96 34 A 1 ATOM 266 C CG2 . ILE A 1 34 ? 0.248 -7.806 -0.412 1.00 97.99 34 A 1 ATOM 267 C CD1 . ILE A 1 34 ? -1.071 -6.675 2.143 1.00 97.06 34 A 1 ATOM 268 N N . SER A 1 35 ? -1.374 -9.612 -3.255 1.00 98.21 35 A 1 ATOM 269 C CA . SER A 1 35 ? -0.765 -10.652 -4.075 1.00 98.06 35 A 1 ATOM 270 C C . SER A 1 35 ? 0.725 -10.386 -4.248 1.00 97.97 35 A 1 ATOM 271 O O . SER A 1 35 ? 1.136 -9.274 -4.581 1.00 97.36 35 A 1 ATOM 272 C CB . SER A 1 35 ? -1.464 -10.763 -5.427 1.00 97.59 35 A 1 ATOM 273 O OG . SER A 1 35 ? -2.782 -11.249 -5.252 1.00 86.78 35 A 1 ATOM 274 N N . LEU A 1 36 ? 1.541 -11.418 -4.043 1.00 97.42 36 A 1 ATOM 275 C CA . LEU A 1 36 ? 2.988 -11.383 -4.191 1.00 97.10 36 A 1 ATOM 276 C C . LEU A 1 36 ? 3.420 -12.443 -5.197 1.00 96.91 36 A 1 ATOM 277 O O . LEU A 1 36 ? 2.846 -13.535 -5.242 1.00 96.05 36 A 1 ATOM 278 C CB . LEU A 1 36 ? 3.690 -11.570 -2.837 1.00 96.76 36 A 1 ATOM 279 C CG . LEU A 1 36 ? 3.210 -10.594 -1.736 1.00 95.56 36 A 1 ATOM 280 C CD1 . LEU A 1 36 ? 2.277 -11.297 -0.734 1.00 91.43 36 A 1 ATOM 281 C CD2 . LEU A 1 36 ? 4.382 -10.021 -0.965 1.00 91.99 36 A 1 ATOM 282 N N . ALA A 1 37 ? 4.446 -12.139 -5.997 1.00 95.55 37 A 1 ATOM 283 C CA . ALA A 1 37 ? 4.952 -13.062 -7.005 1.00 94.55 37 A 1 ATOM 284 C C . ALA A 1 37 ? 6.473 -13.210 -6.963 1.00 93.83 37 A 1 ATOM 285 O O . ALA A 1 37 ? 7.215 -12.258 -6.728 1.00 91.86 37 A 1 ATOM 286 C CB . ALA A 1 37 ? 4.459 -12.639 -8.391 1.00 93.28 37 A 1 ATOM 287 N N . GLY A 1 38 ? 6.933 -14.428 -7.271 1.00 93.86 38 A 1 ATOM 288 C CA . GLY A 1 38 ? 8.351 -14.761 -7.331 1.00 93.32 38 A 1 ATOM 289 C C . GLY A 1 38 ? 8.597 -16.259 -7.492 1.00 94.37 38 A 1 ATOM 290 O O . GLY A 1 38 ? 7.661 -17.059 -7.621 1.00 93.75 38 A 1 ATOM 291 N N . GLY A 1 39 ? 9.893 -16.620 -7.511 1.00 93.97 39 A 1 ATOM 292 C CA . GLY A 1 39 ? 10.325 -18.002 -7.300 1.00 94.62 39 A 1 ATOM 293 C C . GLY A 1 39 ? 10.194 -18.393 -5.826 1.00 95.51 39 A 1 ATOM 294 O O . GLY A 1 39 ? 10.011 -17.532 -4.967 1.00 94.60 39 A 1 ATOM 295 N N . THR A 1 40 ? 10.281 -19.683 -5.547 1.00 94.95 40 A 1 ATOM 296 C CA . THR A 1 40 ? 10.365 -20.179 -4.172 1.00 95.56 40 A 1 ATOM 297 C C . THR A 1 40 ? 11.817 -20.201 -3.703 1.00 95.53 40 A 1 ATOM 298 O O . THR A 1 40 ? 12.713 -20.437 -4.508 1.00 94.50 40 A 1 ATOM 299 C CB . THR A 1 40 ? 9.757 -21.580 -4.045 1.00 95.10 40 A 1 ATOM 300 O OG1 . THR A 1 40 ? 10.334 -22.457 -4.989 1.00 91.90 40 A 1 ATOM 301 C CG2 . THR A 1 40 ? 8.248 -21.556 -4.308 1.00 90.85 40 A 1 ATOM 302 N N . TYR A 1 41 ? 12.048 -20.014 -2.418 1.00 95.28 41 A 1 ATOM 303 C CA . TYR A 1 41 ? 13.364 -20.230 -1.821 1.00 95.22 41 A 1 ATOM 304 C C . TYR A 1 41 ? 13.774 -21.706 -1.931 1.00 96.25 41 A 1 ATOM 305 O O . TYR A 1 41 ? 12.980 -22.598 -1.627 1.00 95.80 41 A 1 ATOM 306 C CB . TYR A 1 41 ? 13.363 -19.777 -0.355 1.00 93.90 41 A 1 ATOM 307 C CG . TYR A 1 41 ? 13.254 -18.274 -0.173 1.00 91.98 41 A 1 ATOM 308 C CD1 . TYR A 1 41 ? 14.404 -17.471 -0.301 1.00 87.99 41 A 1 ATOM 309 C CD2 . TYR A 1 41 ? 12.011 -17.677 0.119 1.00 88.02 41 A 1 ATOM 310 C CE1 . TYR A 1 41 ? 14.311 -16.073 -0.135 1.00 85.58 41 A 1 ATOM 311 C CE2 . TYR A 1 41 ? 11.915 -16.282 0.281 1.00 85.71 41 A 1 ATOM 312 C CZ . TYR A 1 41 ? 13.068 -15.478 0.155 1.00 85.90 41 A 1 ATOM 313 O OH . TYR A 1 41 ? 12.977 -14.127 0.313 1.00 82.77 41 A 1 ATOM 314 N N . ASP A 1 42 ? 15.030 -21.967 -2.301 1.00 95.36 42 A 1 ATOM 315 C CA . ASP A 1 42 ? 15.547 -23.331 -2.482 1.00 95.92 42 A 1 ATOM 316 C C . ASP A 1 42 ? 16.017 -23.979 -1.166 1.00 96.68 42 A 1 ATOM 317 O O . ASP A 1 42 ? 16.128 -25.203 -1.063 1.00 95.09 42 A 1 ATOM 318 C CB . ASP A 1 42 ? 16.694 -23.307 -3.509 1.00 94.58 42 A 1 ATOM 319 C CG . ASP A 1 42 ? 16.241 -22.865 -4.906 1.00 88.14 42 A 1 ATOM 320 O OD1 . ASP A 1 42 ? 15.137 -23.285 -5.319 1.00 81.44 42 A 1 ATOM 321 O OD2 . ASP A 1 42 ? 17.008 -22.115 -5.546 1.00 81.52 42 A 1 ATOM 322 N N . HIS A 1 43 ? 16.303 -23.169 -0.140 1.00 96.26 43 A 1 ATOM 323 C CA . HIS A 1 43 ? 16.859 -23.626 1.136 1.00 95.95 43 A 1 ATOM 324 C C . HIS A 1 43 ? 16.510 -22.679 2.295 1.00 95.84 43 A 1 ATOM 325 O O . HIS A 1 43 ? 15.967 -21.596 2.102 1.00 94.14 43 A 1 ATOM 326 C CB . HIS A 1 43 ? 18.390 -23.805 0.984 1.00 94.76 43 A 1 ATOM 327 C CG . HIS A 1 43 ? 19.124 -22.569 0.521 1.00 92.66 43 A 1 ATOM 328 N ND1 . HIS A 1 43 ? 19.301 -22.170 -0.783 1.00 81.71 43 A 1 ATOM 329 C CD2 . HIS A 1 43 ? 19.736 -21.633 1.312 1.00 82.70 43 A 1 ATOM 330 C CE1 . HIS A 1 43 ? 19.998 -21.018 -0.776 1.00 81.96 43 A 1 ATOM 331 N NE2 . HIS A 1 43 ? 20.290 -20.654 0.479 1.00 85.11 43 A 1 ATOM 332 N N . GLY A 1 44 ? 16.853 -23.098 3.513 1.00 95.29 44 A 1 ATOM 333 C CA . GLY A 1 44 ? 16.617 -22.323 4.731 1.00 95.31 44 A 1 ATOM 334 C C . GLY A 1 44 ? 15.193 -22.464 5.287 1.00 96.14 44 A 1 ATOM 335 O O . GLY A 1 44 ? 14.417 -23.315 4.858 1.00 94.81 44 A 1 ATOM 336 N N . SER A 1 45 ? 14.850 -21.629 6.267 1.00 95.85 45 A 1 ATOM 337 C CA . SER A 1 45 ? 13.546 -21.681 6.951 1.00 95.31 45 A 1 ATOM 338 C C . SER A 1 45 ? 12.352 -21.378 6.038 1.00 95.56 45 A 1 ATOM 339 O O . SER A 1 45 ? 11.244 -21.829 6.316 1.00 94.21 45 A 1 ATOM 340 C CB . SER A 1 45 ? 13.532 -20.694 8.125 1.00 93.82 45 A 1 ATOM 341 O OG . SER A 1 45 ? 13.857 -19.392 7.672 1.00 85.81 45 A 1 ATOM 342 N N . SER A 1 46 ? 12.587 -20.648 4.936 1.00 95.09 46 A 1 ATOM 343 C CA . SER A 1 46 ? 11.566 -20.292 3.943 1.00 95.22 46 A 1 ATOM 344 C C . SER A 1 46 ? 11.567 -21.214 2.716 1.00 96.16 46 A 1 ATOM 345 O O . SER A 1 46 ? 10.962 -20.879 1.699 1.00 95.41 46 A 1 ATOM 346 C CB . SER A 1 46 ? 11.720 -18.821 3.536 1.00 93.52 46 A 1 ATOM 347 O OG . SER A 1 46 ? 11.663 -17.982 4.679 1.00 89.55 46 A 1 ATOM 348 N N . GLN A 1 47 ? 12.241 -22.383 2.777 1.00 95.72 47 A 1 ATOM 349 C CA . GLN A 1 47 ? 12.294 -23.330 1.660 1.00 96.58 47 A 1 ATOM 350 C C . GLN A 1 47 ? 10.888 -23.685 1.158 1.00 96.69 47 A 1 ATOM 351 O O . GLN A 1 47 ? 10.004 -24.046 1.934 1.00 96.14 47 A 1 ATOM 352 C CB . GLN A 1 47 ? 13.076 -24.586 2.078 1.00 96.60 47 A 1 ATOM 353 C CG . GLN A 1 47 ? 13.248 -25.564 0.901 1.00 95.41 47 A 1 ATOM 354 C CD . GLN A 1 47 ? 14.064 -26.804 1.248 1.00 94.18 47 A 1 ATOM 355 O OE1 . GLN A 1 47 ? 14.299 -27.154 2.394 1.00 89.37 47 A 1 ATOM 356 N NE2 . GLN A 1 47 ? 14.511 -27.547 0.257 1.00 87.35 47 A 1 ATOM 357 N N . GLY A 1 48 ? 10.685 -23.604 -0.159 1.00 96.67 48 A 1 ATOM 358 C CA . GLY A 1 48 ? 9.397 -23.869 -0.805 1.00 96.76 48 A 1 ATOM 359 C C . GLY A 1 48 ? 8.391 -22.712 -0.738 1.00 97.13 48 A 1 ATOM 360 O O . GLY A 1 48 ? 7.302 -22.834 -1.301 1.00 96.33 48 A 1 ATOM 361 N N . MET A 1 49 ? 8.726 -21.590 -0.095 1.00 96.85 49 A 1 ATOM 362 C CA . MET A 1 49 ? 7.868 -20.405 0.007 1.00 96.77 49 A 1 ATOM 363 C C . MET A 1 49 ? 8.278 -19.344 -1.020 1.00 96.57 49 A 1 ATOM 364 O O . MET A 1 49 ? 9.454 -19.152 -1.295 1.00 95.86 49 A 1 ATOM 365 C CB . MET A 1 49 ? 7.907 -19.816 1.427 1.00 96.38 49 A 1 ATOM 366 C CG . MET A 1 49 ? 7.574 -20.844 2.518 1.00 95.70 49 A 1 ATOM 367 S SD . MET A 1 49 ? 7.577 -20.139 4.185 1.00 94.93 49 A 1 ATOM 368 C CE . MET A 1 49 ? 7.324 -21.632 5.169 1.00 88.49 49 A 1 ATOM 369 N N . VAL A 1 50 ? 7.303 -18.598 -1.565 1.00 96.75 50 A 1 ATOM 370 C CA . VAL A 1 50 ? 7.567 -17.355 -2.320 1.00 96.33 50 A 1 ATOM 371 C C . VAL A 1 50 ? 7.956 -16.233 -1.359 1.00 96.02 50 A 1 ATOM 372 O O . VAL A 1 50 ? 8.841 -15.440 -1.653 1.00 94.92 50 A 1 ATOM 373 C CB . VAL A 1 50 ? 6.336 -16.939 -3.147 1.00 95.93 50 A 1 ATOM 374 C CG1 . VAL A 1 50 ? 6.516 -15.588 -3.853 1.00 94.49 50 A 1 ATOM 375 C CG2 . VAL A 1 50 ? 6.029 -17.986 -4.226 1.00 94.71 50 A 1 ATOM 376 N N . VAL A 1 51 ? 7.276 -16.175 -0.223 1.00 96.20 51 A 1 ATOM 377 C CA . VAL A 1 51 ? 7.524 -15.262 0.896 1.00 96.24 51 A 1 ATOM 378 C C . VAL A 1 51 ? 6.954 -15.895 2.159 1.00 96.41 51 A 1 ATOM 379 O O . VAL A 1 51 ? 5.910 -16.552 2.100 1.00 95.98 51 A 1 ATOM 380 C CB . VAL A 1 51 ? 6.896 -13.881 0.624 1.00 95.82 51 A 1 ATOM 381 C CG1 . VAL A 1 51 ? 5.366 -13.924 0.454 1.00 93.77 51 A 1 ATOM 382 C CG2 . VAL A 1 51 ? 7.249 -12.852 1.701 1.00 92.85 51 A 1 ATOM 383 N N . ASP A 1 52 ? 7.604 -15.697 3.296 1.00 96.32 52 A 1 ATOM 384 C CA . ASP A 1 52 ? 6.990 -16.025 4.578 1.00 96.31 52 A 1 ATOM 385 C C . ASP A 1 52 ? 5.915 -14.977 4.917 1.00 96.43 52 A 1 ATOM 386 O O . ASP A 1 52 ? 6.190 -13.776 5.016 1.00 95.97 52 A 1 ATOM 387 C CB . ASP A 1 52 ? 8.066 -16.151 5.668 1.00 95.72 52 A 1 ATOM 388 C CG . ASP A 1 52 ? 7.522 -16.735 6.977 1.00 94.63 52 A 1 ATOM 389 O OD1 . ASP A 1 52 ? 6.294 -16.617 7.216 1.00 92.93 52 A 1 ATOM 390 O OD2 . ASP A 1 52 ? 8.338 -17.285 7.742 1.00 91.51 52 A 1 ATOM 391 N N . PHE A 1 53 ? 4.674 -15.424 5.117 1.00 96.67 53 A 1 ATOM 392 C CA . PHE A 1 53 ? 3.566 -14.535 5.489 1.00 96.96 53 A 1 ATOM 393 C C . PHE A 1 53 ? 3.779 -13.797 6.821 1.00 97.06 53 A 1 ATOM 394 O O . PHE A 1 53 ? 3.078 -12.816 7.078 1.00 96.48 53 A 1 ATOM 395 C CB . PHE A 1 53 ? 2.247 -15.317 5.511 1.00 96.75 53 A 1 ATOM 396 C CG . PHE A 1 53 ? 1.704 -15.757 4.158 1.00 96.97 53 A 1 ATOM 397 C CD1 . PHE A 1 53 ? 1.835 -14.943 3.014 1.00 95.76 53 A 1 ATOM 398 C CD2 . PHE A 1 53 ? 0.999 -16.975 4.062 1.00 95.65 53 A 1 ATOM 399 C CE1 . PHE A 1 53 ? 1.278 -15.348 1.786 1.00 94.80 53 A 1 ATOM 400 C CE2 . PHE A 1 53 ? 0.437 -17.374 2.837 1.00 94.99 53 A 1 ATOM 401 C CZ . PHE A 1 53 ? 0.577 -16.563 1.698 1.00 95.45 53 A 1 ATOM 402 N N . TYR A 1 54 ? 4.748 -14.214 7.634 1.00 96.35 54 A 1 ATOM 403 C CA . TYR A 1 54 ? 5.207 -13.449 8.788 1.00 96.01 54 A 1 ATOM 404 C C . TYR A 1 54 ? 5.639 -12.032 8.386 1.00 96.20 54 A 1 ATOM 405 O O . TYR A 1 54 ? 5.192 -11.067 9.003 1.00 95.86 54 A 1 ATOM 406 C CB . TYR A 1 54 ? 6.359 -14.194 9.469 1.00 95.59 54 A 1 ATOM 407 C CG . TYR A 1 54 ? 7.027 -13.378 10.559 1.00 94.02 54 A 1 ATOM 408 C CD1 . TYR A 1 54 ? 8.245 -12.713 10.299 1.00 91.19 54 A 1 ATOM 409 C CD2 . TYR A 1 54 ? 6.405 -13.235 11.816 1.00 91.14 54 A 1 ATOM 410 C CE1 . TYR A 1 54 ? 8.839 -11.915 11.292 1.00 89.51 54 A 1 ATOM 411 C CE2 . TYR A 1 54 ? 6.995 -12.437 12.813 1.00 89.48 54 A 1 ATOM 412 C CZ . TYR A 1 54 ? 8.213 -11.775 12.549 1.00 89.21 54 A 1 ATOM 413 O OH . TYR A 1 54 ? 8.785 -10.996 13.507 1.00 87.54 54 A 1 ATOM 414 N N . HIS A 1 55 ? 6.448 -11.889 7.327 1.00 95.81 55 A 1 ATOM 415 C CA . HIS A 1 55 ? 6.913 -10.582 6.855 1.00 95.29 55 A 1 ATOM 416 C C . HIS A 1 55 ? 5.759 -9.734 6.320 1.00 95.69 55 A 1 ATOM 417 O O . HIS A 1 55 ? 5.644 -8.563 6.672 1.00 95.20 55 A 1 ATOM 418 C CB . HIS A 1 55 ? 8.002 -10.766 5.791 1.00 94.58 55 A 1 ATOM 419 C CG . HIS A 1 55 ? 9.236 -11.443 6.335 1.00 93.31 55 A 1 ATOM 420 N ND1 . HIS A 1 55 ? 10.034 -10.982 7.359 1.00 85.91 55 A 1 ATOM 421 C CD2 . HIS A 1 55 ? 9.763 -12.637 5.927 1.00 85.32 55 A 1 ATOM 422 C CE1 . HIS A 1 55 ? 11.014 -11.878 7.556 1.00 86.47 55 A 1 ATOM 423 N NE2 . HIS A 1 55 ? 10.888 -12.903 6.707 1.00 87.30 55 A 1 ATOM 424 N N . VAL A 1 56 ? 4.834 -10.349 5.566 1.00 96.16 56 A 1 ATOM 425 C CA . VAL A 1 56 ? 3.635 -9.659 5.061 1.00 96.73 56 A 1 ATOM 426 C C . VAL A 1 56 ? 2.778 -9.147 6.220 1.00 97.08 56 A 1 ATOM 427 O O . VAL A 1 56 ? 2.355 -7.997 6.226 1.00 96.78 56 A 1 ATOM 428 C CB . VAL A 1 56 ? 2.792 -10.567 4.143 1.00 96.66 56 A 1 ATOM 429 C CG1 . VAL A 1 56 ? 1.682 -9.770 3.447 1.00 95.87 56 A 1 ATOM 430 C CG2 . VAL A 1 56 ? 3.634 -11.243 3.053 1.00 95.84 56 A 1 ATOM 431 N N . LYS A 1 57 ? 2.552 -9.985 7.242 1.00 96.80 57 A 1 ATOM 432 C CA . LYS A 1 57 ? 1.779 -9.583 8.424 1.00 96.38 57 A 1 ATOM 433 C C . LYS A 1 57 ? 2.491 -8.489 9.222 1.00 96.52 57 A 1 ATOM 434 O O . LYS A 1 57 ? 1.837 -7.559 9.668 1.00 96.04 57 A 1 ATOM 435 C CB . LYS A 1 57 ? 1.468 -10.813 9.291 1.00 95.55 57 A 1 ATOM 436 C CG . LYS A 1 57 ? 0.539 -10.447 10.462 1.00 82.20 57 A 1 ATOM 437 C CD . LYS A 1 57 ? 0.260 -11.642 11.382 1.00 79.86 57 A 1 ATOM 438 C CE . LYS A 1 57 ? -0.607 -11.154 12.552 1.00 71.08 57 A 1 ATOM 439 N NZ . LYS A 1 57 ? -0.818 -12.200 13.586 1.00 62.60 57 A 1 ATOM 440 N N . LYS A 1 58 ? 3.809 -8.611 9.417 1.00 95.94 58 A 1 ATOM 441 C CA . LYS A 1 58 ? 4.593 -7.654 10.208 1.00 95.45 58 A 1 ATOM 442 C C . LYS A 1 58 ? 4.646 -6.280 9.541 1.00 95.96 58 A 1 ATOM 443 O O . LYS A 1 58 ? 4.397 -5.288 10.207 1.00 95.29 58 A 1 ATOM 444 C CB . LYS A 1 58 ? 5.997 -8.234 10.460 1.00 94.21 58 A 1 ATOM 445 C CG . LYS A 1 58 ? 6.839 -7.316 11.359 1.00 88.65 58 A 1 ATOM 446 C CD . LYS A 1 58 ? 8.250 -7.880 11.575 1.00 83.00 58 A 1 ATOM 447 C CE . LYS A 1 58 ? 9.063 -6.865 12.388 1.00 75.86 58 A 1 ATOM 448 N NZ . LYS A 1 58 ? 10.499 -7.242 12.483 1.00 67.03 58 A 1 ATOM 449 N N . ILE A 1 59 ? 4.936 -6.234 8.242 1.00 95.57 59 A 1 ATOM 450 C CA . ILE A 1 59 ? 5.175 -4.973 7.526 1.00 95.50 59 A 1 ATOM 451 C C . ILE A 1 59 ? 3.857 -4.406 6.996 1.00 96.16 59 A 1 ATOM 452 O O . ILE A 1 59 ? 3.394 -3.364 7.455 1.00 95.99 59 A 1 ATOM 453 C CB . ILE A 1 59 ? 6.239 -5.181 6.423 1.00 94.87 59 A 1 ATOM 454 C CG1 . ILE A 1 59 ? 7.581 -5.649 7.044 1.00 92.85 59 A 1 ATOM 455 C CG2 . ILE A 1 59 ? 6.440 -3.885 5.615 1.00 92.77 59 A 1 ATOM 456 C CD1 . ILE A 1 59 ? 8.576 -6.159 6.006 1.00 87.50 59 A 1 ATOM 457 N N . ALA A 1 60 ? 3.209 -5.124 6.071 1.00 95.87 60 A 1 ATOM 458 C CA . ALA A 1 60 ? 1.956 -4.662 5.486 1.00 96.42 60 A 1 ATOM 459 C C . ALA A 1 60 ? 0.826 -4.606 6.526 1.00 97.07 60 A 1 ATOM 460 O O . ALA A 1 60 ? 0.025 -3.682 6.501 1.00 97.03 60 A 1 ATOM 461 C CB . ALA A 1 60 ? 1.592 -5.551 4.286 1.00 96.36 60 A 1 ATOM 462 N N . GLY A 1 61 ? 0.775 -5.547 7.466 1.00 96.64 61 A 1 ATOM 463 C CA . GLY A 1 61 ? -0.224 -5.527 8.539 1.00 96.74 61 A 1 ATOM 464 C C . GLY A 1 61 ? -0.082 -4.304 9.443 1.00 97.22 61 A 1 ATOM 465 O O . GLY A 1 61 ? -1.070 -3.623 9.679 1.00 96.68 61 A 1 ATOM 466 N N . THR A 1 62 ? 1.147 -3.968 9.864 1.00 95.94 62 A 1 ATOM 467 C CA . THR A 1 62 ? 1.409 -2.756 10.666 1.00 95.42 62 A 1 ATOM 468 C C . THR A 1 62 ? 1.040 -1.484 9.902 1.00 96.42 62 A 1 ATOM 469 O O . THR A 1 62 ? 0.509 -0.546 10.490 1.00 96.14 62 A 1 ATOM 470 C CB . THR A 1 62 ? 2.888 -2.680 11.079 1.00 94.38 62 A 1 ATOM 471 O OG1 . THR A 1 62 ? 3.228 -3.816 11.839 1.00 90.51 62 A 1 ATOM 472 C CG2 . THR A 1 62 ? 3.217 -1.463 11.943 1.00 89.11 62 A 1 ATOM 473 N N . PHE A 1 63 ? 1.297 -1.442 8.586 1.00 95.87 63 A 1 ATOM 474 C CA . PHE A 1 63 ? 0.902 -0.304 7.759 1.00 96.72 63 A 1 ATOM 475 C C . PHE A 1 63 ? -0.624 -0.187 7.630 1.00 97.41 63 A 1 ATOM 476 O O . PHE A 1 63 ? -1.175 0.894 7.821 1.00 97.23 63 A 1 ATOM 477 C CB . PHE A 1 63 ? 1.581 -0.413 6.392 1.00 96.61 63 A 1 ATOM 478 C CG . PHE A 1 63 ? 1.317 0.806 5.538 1.00 96.82 63 A 1 ATOM 479 C CD1 . PHE A 1 63 ? 0.273 0.803 4.592 1.00 95.60 63 A 1 ATOM 480 C CD2 . PHE A 1 63 ? 2.081 1.971 5.739 1.00 95.56 63 A 1 ATOM 481 C CE1 . PHE A 1 63 ? -0.005 1.966 3.857 1.00 94.43 63 A 1 ATOM 482 C CE2 . PHE A 1 63 ? 1.802 3.130 5.001 1.00 94.46 63 A 1 ATOM 483 C CZ . PHE A 1 63 ? 0.756 3.129 4.065 1.00 95.50 63 A 1 ATOM 484 N N . ILE A 1 64 ? -1.316 -1.301 7.354 1.00 98.02 64 A 1 ATOM 485 C CA . ILE A 1 64 ? -2.782 -1.348 7.238 1.00 98.23 64 A 1 ATOM 486 C C . ILE A 1 64 ? -3.466 -0.995 8.568 1.00 98.32 64 A 1 ATOM 487 O O . ILE A 1 64 ? -4.484 -0.317 8.549 1.00 98.06 64 A 1 ATOM 488 C CB . ILE A 1 64 ? -3.226 -2.724 6.689 1.00 97.92 64 A 1 ATOM 489 C CG1 . ILE A 1 64 ? -2.798 -2.936 5.217 1.00 96.11 64 A 1 ATOM 490 C CG2 . ILE A 1 64 ? -4.746 -2.957 6.818 1.00 97.11 64 A 1 ATOM 491 C CD1 . ILE A 1 64 ? -3.398 -1.973 4.187 1.00 91.45 64 A 1 ATOM 492 N N . ASP A 1 65 ? -2.891 -1.366 9.708 1.00 98.22 65 A 1 ATOM 493 C CA . ASP A 1 65 ? -3.421 -1.025 11.039 1.00 97.88 65 A 1 ATOM 494 C C . ASP A 1 65 ? -3.543 0.497 11.260 1.00 97.93 65 A 1 ATOM 495 O O . ASP A 1 65 ? -4.433 0.978 11.963 1.00 97.37 65 A 1 ATOM 496 C CB . ASP A 1 65 ? -2.505 -1.664 12.090 1.00 97.05 65 A 1 ATOM 497 C CG . ASP A 1 65 ? -3.090 -1.596 13.502 1.00 86.93 65 A 1 ATOM 498 O OD1 . ASP A 1 65 ? -4.092 -2.312 13.725 1.00 83.39 65 A 1 ATOM 499 O OD2 . ASP A 1 65 ? -2.486 -0.895 14.340 1.00 81.52 65 A 1 ATOM 500 N N . ARG A 1 66 ? -2.713 1.294 10.571 1.00 98.04 66 A 1 ATOM 501 C CA . ARG A 1 66 ? -2.833 2.763 10.596 1.00 97.97 66 A 1 ATOM 502 C C . ARG A 1 66 ? -4.133 3.270 9.963 1.00 98.04 66 A 1 ATOM 503 O O . ARG A 1 66 ? -4.582 4.360 10.323 1.00 97.50 66 A 1 ATOM 504 C CB . ARG A 1 66 ? -1.625 3.413 9.902 1.00 97.77 66 A 1 ATOM 505 C CG . ARG A 1 66 ? -0.300 3.061 10.586 1.00 96.70 66 A 1 ATOM 506 C CD . ARG A 1 66 ? 0.865 3.741 9.855 1.00 95.65 66 A 1 ATOM 507 N NE . ARG A 1 66 ? 2.152 3.479 10.522 1.00 93.36 66 A 1 ATOM 508 C CZ . ARG A 1 66 ? 2.596 4.048 11.634 1.00 91.96 66 A 1 ATOM 509 N NH1 . ARG A 1 66 ? 1.897 4.925 12.304 1.00 87.16 66 A 1 ATOM 510 N NH2 . ARG A 1 66 ? 3.773 3.736 12.100 1.00 88.59 66 A 1 ATOM 511 N N . LEU A 1 67 ? -4.733 2.503 9.052 1.00 98.28 67 A 1 ATOM 512 C CA . LEU A 1 67 ? -6.023 2.806 8.425 1.00 98.43 67 A 1 ATOM 513 C C . LEU A 1 67 ? -7.206 2.353 9.292 1.00 98.38 67 A 1 ATOM 514 O O . LEU A 1 67 ? -8.312 2.859 9.121 1.00 98.09 67 A 1 ATOM 515 C CB . LEU A 1 67 ? -6.095 2.139 7.036 1.00 98.54 67 A 1 ATOM 516 C CG . LEU A 1 67 ? -4.956 2.495 6.065 1.00 98.16 67 A 1 ATOM 517 C CD1 . LEU A 1 67 ? -5.058 1.642 4.803 1.00 97.63 67 A 1 ATOM 518 C CD2 . LEU A 1 67 ? -5.017 3.962 5.648 1.00 97.38 67 A 1 ATOM 519 N N . ASP A 1 68 ? -6.982 1.405 10.204 1.00 98.41 68 A 1 ATOM 520 C CA . ASP A 1 68 ? -8.041 0.798 11.003 1.00 98.35 68 A 1 ATOM 521 C C . ASP A 1 68 ? -8.624 1.788 12.021 1.00 98.01 68 A 1 ATOM 522 O O . ASP A 1 68 ? -7.887 2.534 12.669 1.00 97.23 68 A 1 ATOM 523 C CB . ASP A 1 68 ? -7.518 -0.473 11.679 1.00 98.34 68 A 1 ATOM 524 C CG . ASP A 1 68 ? -8.662 -1.248 12.325 1.00 98.12 68 A 1 ATOM 525 O OD1 . ASP A 1 68 ? -9.656 -1.496 11.605 1.00 96.24 68 A 1 ATOM 526 O OD2 . ASP A 1 68 ? -8.562 -1.545 13.530 1.00 96.29 68 A 1 ATOM 527 N N . HIS A 1 69 ? -9.956 1.814 12.141 1.00 98.11 69 A 1 ATOM 528 C CA . HIS A 1 69 ? -10.703 2.743 12.997 1.00 97.62 69 A 1 ATOM 529 C C . HIS A 1 69 ? -10.358 4.226 12.748 1.00 97.02 69 A 1 ATOM 530 O O . HIS A 1 69 ? -10.383 5.051 13.659 1.00 96.27 69 A 1 ATOM 531 C CB . HIS A 1 69 ? -10.597 2.307 14.467 1.00 97.60 69 A 1 ATOM 532 C CG . HIS A 1 69 ? -11.295 0.999 14.758 1.00 97.35 69 A 1 ATOM 533 N ND1 . HIS A 1 69 ? -10.895 -0.259 14.376 1.00 93.87 69 A 1 ATOM 534 C CD2 . HIS A 1 69 ? -12.467 0.852 15.450 1.00 94.44 69 A 1 ATOM 535 C CE1 . HIS A 1 69 ? -11.807 -1.139 14.823 1.00 94.80 69 A 1 ATOM 536 N NE2 . HIS A 1 69 ? -12.778 -0.516 15.497 1.00 95.02 69 A 1 ATOM 537 N N . ALA A 1 70 ? -10.040 4.578 11.497 1.00 96.95 70 A 1 ATOM 538 C CA . ALA A 1 70 ? -9.734 5.941 11.082 1.00 96.79 70 A 1 ATOM 539 C C . ALA A 1 70 ? -10.820 6.535 10.171 1.00 96.69 70 A 1 ATOM 540 O O . ALA A 1 70 ? -11.588 5.828 9.518 1.00 96.32 70 A 1 ATOM 541 C CB . ALA A 1 70 ? -8.349 5.969 10.422 1.00 96.79 70 A 1 ATOM 542 N N . VAL A 1 71 ? -10.836 7.866 10.077 1.00 96.03 71 A 1 ATOM 543 C CA . VAL A 1 71 ? -11.542 8.573 9.001 1.00 95.48 71 A 1 ATOM 544 C C . VAL A 1 71 ? -10.559 8.838 7.863 1.00 95.58 71 A 1 ATOM 545 O O . VAL A 1 71 ? -9.547 9.514 8.046 1.00 95.21 71 A 1 ATOM 546 C CB . VAL A 1 71 ? -12.225 9.870 9.478 1.00 94.65 71 A 1 ATOM 547 C CG1 . VAL A 1 71 ? -13.194 10.366 8.397 1.00 91.17 71 A 1 ATOM 548 C CG2 . VAL A 1 71 ? -13.032 9.668 10.765 1.00 91.43 71 A 1 ATOM 549 N N . LEU A 1 72 ? -10.861 8.311 6.684 1.00 96.30 72 A 1 ATOM 550 C CA . LEU A 1 72 ? -10.060 8.464 5.469 1.00 96.73 72 A 1 ATOM 551 C C . LEU A 1 72 ? -10.520 9.725 4.731 1.00 96.42 72 A 1 ATOM 552 O O . LEU A 1 72 ? -11.686 9.834 4.349 1.00 96.17 72 A 1 ATOM 553 C CB . LEU A 1 72 ? -10.198 7.209 4.594 1.00 97.44 72 A 1 ATOM 554 C CG . LEU A 1 72 ? -10.037 5.854 5.301 1.00 97.24 72 A 1 ATOM 555 C CD1 . LEU A 1 72 ? -10.119 4.741 4.261 1.00 97.08 72 A 1 ATOM 556 C CD2 . LEU A 1 72 ? -8.710 5.735 6.055 1.00 96.98 72 A 1 ATOM 557 N N . LEU A 1 73 ? -9.620 10.690 4.561 1.00 95.87 73 A 1 ATOM 558 C CA . LEU A 1 73 ? -9.947 12.042 4.132 1.00 95.44 73 A 1 ATOM 559 C C . LEU A 1 73 ? -9.080 12.464 2.946 1.00 96.09 73 A 1 ATOM 560 O O . LEU A 1 73 ? -7.853 12.336 2.985 1.00 96.00 73 A 1 ATOM 561 C CB . LEU A 1 73 ? -9.739 13.002 5.318 1.00 94.35 73 A 1 ATOM 562 C CG . LEU A 1 73 ? -10.628 12.737 6.547 1.00 92.55 73 A 1 ATOM 563 C CD1 . LEU A 1 73 ? -10.155 13.588 7.727 1.00 91.04 73 A 1 ATOM 564 C CD2 . LEU A 1 73 ? -12.096 13.050 6.278 1.00 90.85 73 A 1 ATOM 565 N N . GLN A 1 74 ? -9.711 13.066 1.939 1.00 95.12 74 A 1 ATOM 566 C CA . GLN A 1 74 ? -8.999 13.839 0.921 1.00 95.56 74 A 1 ATOM 567 C C . GLN A 1 74 ? -8.424 15.129 1.529 1.00 95.29 74 A 1 ATOM 568 O O . GLN A 1 74 ? -7.333 15.553 1.168 1.00 93.56 74 A 1 ATOM 569 C CB . GLN A 1 74 ? -9.957 14.130 -0.248 1.00 95.64 74 A 1 ATOM 570 C CG . GLN A 1 74 ? -9.333 15.053 -1.297 1.00 95.36 74 A 1 ATOM 571 C CD . GLN A 1 74 ? -10.198 15.283 -2.531 1.00 94.80 74 A 1 ATOM 572 O OE1 . GLN A 1 74 ? -11.253 14.710 -2.747 1.00 90.58 74 A 1 ATOM 573 N NE2 . GLN A 1 74 ? -9.766 16.157 -3.414 1.00 89.16 74 A 1 ATOM 574 N N . GLY A 1 75 ? -9.155 15.739 2.475 1.00 93.34 75 A 1 ATOM 575 C CA . GLY A 1 75 ? -8.817 17.013 3.122 1.00 91.99 75 A 1 ATOM 576 C C . GLY A 1 75 ? -9.808 18.143 2.838 1.00 92.21 75 A 1 ATOM 577 O O . GLY A 1 75 ? -9.670 19.229 3.398 1.00 88.90 75 A 1 ATOM 578 N N . ASN A 1 76 ? -10.815 17.898 1.992 1.00 90.43 76 A 1 ATOM 579 C CA . ASN A 1 76 ? -11.885 18.851 1.680 1.00 89.54 76 A 1 ATOM 580 C C . ASN A 1 76 ? -13.224 18.527 2.371 1.00 89.94 76 A 1 ATOM 581 O O . ASN A 1 76 ? -14.209 19.239 2.175 1.00 87.56 76 A 1 ATOM 582 C CB . ASN A 1 76 ? -12.025 18.965 0.150 1.00 89.15 76 A 1 ATOM 583 C CG . ASN A 1 76 ? -12.566 17.712 -0.518 1.00 89.04 76 A 1 ATOM 584 O OD1 . ASN A 1 76 ? -12.553 16.615 0.009 1.00 86.91 76 A 1 ATOM 585 N ND2 . ASN A 1 76 ? -13.051 17.830 -1.731 1.00 85.15 76 A 1 ATOM 586 N N . GLU A 1 77 ? -13.281 17.463 3.159 1.00 89.36 77 A 1 ATOM 587 C CA . GLU A 1 77 ? -14.468 17.053 3.902 1.00 88.42 77 A 1 ATOM 588 C C . GLU A 1 77 ? -14.751 18.004 5.080 1.00 88.28 77 A 1 ATOM 589 O O . GLU A 1 77 ? -13.814 18.489 5.722 1.00 86.53 77 A 1 ATOM 590 C CB . GLU A 1 77 ? -14.329 15.614 4.427 1.00 88.62 77 A 1 ATOM 591 C CG . GLU A 1 77 ? -14.113 14.548 3.339 1.00 86.82 77 A 1 ATOM 592 C CD . GLU A 1 77 ? -12.667 14.420 2.841 1.00 88.63 77 A 1 ATOM 593 O OE1 . GLU A 1 77 ? -12.434 13.541 1.985 1.00 85.12 77 A 1 ATOM 594 O OE2 . GLU A 1 77 ? -11.781 15.188 3.290 1.00 87.58 77 A 1 ATOM 595 N N . PRO A 1 78 ? -16.026 18.208 5.453 1.00 86.83 78 A 1 ATOM 596 C CA . PRO A 1 78 ? -16.372 19.054 6.599 1.00 84.55 78 A 1 ATOM 597 C C . PRO A 1 78 ? -15.636 18.679 7.894 1.00 84.39 78 A 1 ATOM 598 O O . PRO A 1 78 ? -15.201 19.565 8.626 1.00 82.10 78 A 1 ATOM 599 C CB . PRO A 1 78 ? -17.889 18.918 6.756 1.00 84.27 78 A 1 ATOM 600 C CG . PRO A 1 78 ? -18.360 18.634 5.330 1.00 82.89 78 A 1 ATOM 601 C CD . PRO A 1 78 ? -17.234 17.780 4.753 1.00 84.64 78 A 1 ATOM 602 N N . ILE A 1 79 ? -15.430 17.379 8.156 1.00 83.91 79 A 1 ATOM 603 C CA . ILE A 1 79 ? -14.689 16.906 9.335 1.00 81.59 79 A 1 ATOM 604 C C . ILE A 1 79 ? -13.188 17.249 9.259 1.00 81.70 79 A 1 ATOM 605 O O . ILE A 1 79 ? -12.583 17.571 10.285 1.00 80.25 79 A 1 ATOM 606 C CB . ILE A 1 79 ? -14.946 15.397 9.566 1.00 80.39 79 A 1 ATOM 607 C CG1 . ILE A 1 79 ? -14.397 14.962 10.940 1.00 73.56 79 A 1 ATOM 608 C CG2 . ILE A 1 79 ? -14.391 14.529 8.427 1.00 73.74 79 A 1 ATOM 609 C CD1 . ILE A 1 79 ? -14.801 13.540 11.351 1.00 70.89 79 A 1 ATOM 610 N N . ALA A 1 80 ? -12.601 17.241 8.063 1.00 83.12 80 A 1 ATOM 611 C CA . ALA A 1 80 ? -11.220 17.663 7.839 1.00 82.69 80 A 1 ATOM 612 C C . ALA A 1 80 ? -11.072 19.177 8.030 1.00 83.06 80 A 1 ATOM 613 O O . ALA A 1 80 ? -10.180 19.628 8.746 1.00 81.47 80 A 1 ATOM 614 C CB . ALA A 1 80 ? -10.777 17.233 6.431 1.00 82.65 80 A 1 ATOM 615 N N . LEU A 1 81 ? -11.995 19.952 7.456 1.00 81.32 81 A 1 ATOM 616 C CA . LEU A 1 81 ? -12.019 21.414 7.572 1.00 80.05 81 A 1 ATOM 617 C C . LEU A 1 81 ? -12.275 21.894 9.009 1.00 79.96 81 A 1 ATOM 618 O O . LEU A 1 81 ? -11.734 22.918 9.420 1.00 77.81 81 A 1 ATOM 619 C CB . LEU A 1 81 ? -13.091 21.977 6.624 1.00 80.45 81 A 1 ATOM 620 C CG . LEU A 1 81 ? -12.852 21.699 5.126 1.00 76.12 81 A 1 ATOM 621 C CD1 . LEU A 1 81 ? -14.033 22.240 4.315 1.00 72.91 81 A 1 ATOM 622 C CD2 . LEU A 1 81 ? -11.568 22.351 4.609 1.00 73.06 81 A 1 ATOM 623 N N . ALA A 1 82 ? -13.064 21.142 9.782 1.00 78.26 82 A 1 ATOM 624 C CA . ALA A 1 82 ? -13.288 21.415 11.202 1.00 75.62 82 A 1 ATOM 625 C C . ALA A 1 82 ? -12.067 21.087 12.086 1.00 76.55 82 A 1 ATOM 626 O O . ALA A 1 82 ? -12.088 21.407 13.271 1.00 72.57 82 A 1 ATOM 627 C CB . ALA A 1 82 ? -14.528 20.640 11.657 1.00 74.58 82 A 1 ATOM 628 N N . ASN A 1 83 ? -11.029 20.450 11.518 1.00 76.27 83 A 1 ATOM 629 C CA . ASN A 1 83 ? -9.840 19.988 12.232 1.00 74.17 83 A 1 ATOM 630 C C . ASN A 1 83 ? -10.192 19.217 13.522 1.00 75.58 83 A 1 ATOM 631 O O . ASN A 1 83 ? -9.678 19.509 14.600 1.00 72.01 83 A 1 ATOM 632 C CB . ASN A 1 83 ? -8.869 21.160 12.441 1.00 70.92 83 A 1 ATOM 633 C CG . ASN A 1 83 ? -7.509 20.699 12.928 1.00 63.74 83 A 1 ATOM 634 O OD1 . ASN A 1 83 ? -7.013 19.634 12.573 1.00 58.93 83 A 1 ATOM 635 N ND2 . ASN A 1 83 ? -6.846 21.496 13.733 1.00 58.44 83 A 1 ATOM 636 N N . ALA A 1 84 ? -11.116 18.246 13.397 1.00 72.38 84 A 1 ATOM 637 C CA . ALA A 1 84 ? -11.640 17.486 14.525 1.00 71.00 84 A 1 ATOM 638 C C . ALA A 1 84 ? -10.507 16.858 15.356 1.00 73.45 84 A 1 ATOM 639 O O . ALA A 1 84 ? -9.737 16.040 14.851 1.00 67.74 84 A 1 ATOM 640 C CB . ALA A 1 84 ? -12.614 16.423 13.998 1.00 67.36 84 A 1 ATOM 641 N N . VAL A 1 85 ? -10.395 17.258 16.624 1.00 68.16 85 A 1 ATOM 642 C CA . VAL A 1 85 ? -9.416 16.726 17.579 1.00 65.65 85 A 1 ATOM 643 C C . VAL A 1 85 ? -9.841 15.339 18.064 1.00 67.77 85 A 1 ATOM 644 O O . VAL A 1 85 ? -10.992 14.946 17.884 1.00 62.77 85 A 1 ATOM 645 C CB . VAL A 1 85 ? -9.165 17.698 18.749 1.00 59.18 85 A 1 ATOM 646 C CG1 . VAL A 1 85 ? -8.528 18.997 18.241 1.00 52.15 85 A 1 ATOM 647 C CG2 . VAL A 1 85 ? -10.444 18.038 19.525 1.00 53.95 85 A 1 ATOM 648 N N . ASP A 1 86 ? -8.891 14.585 18.629 1.00 78.11 86 A 1 ATOM 649 C CA . ASP A 1 86 ? -9.089 13.240 19.197 1.00 78.16 86 A 1 ATOM 650 C C . ASP A 1 86 ? -9.730 12.207 18.250 1.00 79.81 86 A 1 ATOM 651 O O . ASP A 1 86 ? -10.261 11.182 18.674 1.00 74.22 86 A 1 ATOM 652 C CB . ASP A 1 86 ? -9.796 13.341 20.557 1.00 73.05 86 A 1 ATOM 653 C CG . ASP A 1 86 ? -9.052 14.272 21.518 1.00 65.08 86 A 1 ATOM 654 O OD1 . ASP A 1 86 ? -7.804 14.164 21.574 1.00 60.78 86 A 1 ATOM 655 O OD2 . ASP A 1 86 ? -9.732 15.091 22.169 1.00 60.41 86 A 1 ATOM 656 N N . THR A 1 87 ? -9.677 12.473 16.949 1.00 86.20 87 A 1 ATOM 657 C CA . THR A 1 87 ? -10.203 11.595 15.903 1.00 87.23 87 A 1 ATOM 658 C C . THR A 1 87 ? -9.044 11.016 15.103 1.00 89.45 87 A 1 ATOM 659 O O . THR A 1 87 ? -8.368 11.761 14.384 1.00 88.29 87 A 1 ATOM 660 C CB . THR A 1 87 ? -11.171 12.351 14.982 1.00 83.05 87 A 1 ATOM 661 O OG1 . THR A 1 87 ? -12.227 12.906 15.726 1.00 74.45 87 A 1 ATOM 662 C CG2 . THR A 1 87 ? -11.804 11.447 13.929 1.00 74.49 87 A 1 ATOM 663 N N . LYS A 1 88 ? -8.845 9.688 15.175 1.00 93.10 88 A 1 ATOM 664 C CA . LYS A 1 88 ? -7.892 8.983 14.306 1.00 94.49 88 A 1 ATOM 665 C C . LYS A 1 88 ? -8.295 9.211 12.851 1.00 94.88 88 A 1 ATOM 666 O O . LYS A 1 88 ? -9.445 8.974 12.465 1.00 94.12 88 A 1 ATOM 667 C CB . LYS A 1 88 ? -7.811 7.497 14.674 1.00 94.69 88 A 1 ATOM 668 C CG . LYS A 1 88 ? -6.722 6.765 13.860 1.00 94.50 88 A 1 ATOM 669 C CD . LYS A 1 88 ? -6.582 5.294 14.281 1.00 93.93 88 A 1 ATOM 670 C CE . LYS A 1 88 ? -5.476 4.606 13.472 1.00 92.98 88 A 1 ATOM 671 N NZ . LYS A 1 88 ? -5.410 3.143 13.723 1.00 92.59 88 A 1 ATOM 672 N N . ARG A 1 89 ? -7.360 9.721 12.044 1.00 94.83 89 A 1 ATOM 673 C CA . ARG A 1 89 ? -7.639 10.087 10.653 1.00 94.61 89 A 1 ATOM 674 C C . ARG A 1 89 ? -6.416 9.962 9.764 1.00 95.39 89 A 1 ATOM 675 O O . ARG A 1 89 ? -5.284 10.078 10.219 1.00 95.23 89 A 1 ATOM 676 C CB . ARG A 1 89 ? -8.274 11.490 10.586 1.00 92.98 89 A 1 ATOM 677 C CG . ARG A 1 89 ? -7.351 12.626 11.051 1.00 90.55 89 A 1 ATOM 678 C CD . ARG A 1 89 ? -8.125 13.945 11.055 1.00 89.57 89 A 1 ATOM 679 N NE . ARG A 1 89 ? -7.288 15.102 11.449 1.00 86.00 89 A 1 ATOM 680 C CZ . ARG A 1 89 ? -7.333 15.759 12.601 1.00 84.04 89 A 1 ATOM 681 N NH1 . ARG A 1 89 ? -8.046 15.359 13.609 1.00 76.99 89 A 1 ATOM 682 N NH2 . ARG A 1 89 ? -6.658 16.861 12.757 1.00 77.79 89 A 1 ATOM 683 N N . VAL A 1 90 ? -6.672 9.768 8.478 1.00 95.78 90 A 1 ATOM 684 C CA . VAL A 1 90 ? -5.637 9.728 7.442 1.00 96.29 90 A 1 ATOM 685 C C . VAL A 1 90 ? -5.952 10.797 6.410 1.00 96.01 90 A 1 ATOM 686 O O . VAL A 1 90 ? -7.041 10.799 5.840 1.00 95.75 90 A 1 ATOM 687 C CB . VAL A 1 90 ? -5.525 8.343 6.794 1.00 97.00 90 A 1 ATOM 688 C CG1 . VAL A 1 90 ? -4.267 8.267 5.922 1.00 96.59 90 A 1 ATOM 689 C CG2 . VAL A 1 90 ? -5.455 7.236 7.857 1.00 96.60 90 A 1 ATOM 690 N N . LEU A 1 91 ? -5.012 11.711 6.194 1.00 95.71 91 A 1 ATOM 691 C CA . LEU A 1 91 ? -5.107 12.748 5.170 1.00 95.62 91 A 1 ATOM 692 C C . LEU A 1 91 ? -4.374 12.272 3.918 1.00 96.60 91 A 1 ATOM 693 O O . LEU A 1 91 ? -3.148 12.169 3.923 1.00 96.52 91 A 1 ATOM 694 C CB . LEU A 1 91 ? -4.525 14.076 5.692 1.00 94.26 91 A 1 ATOM 695 C CG . LEU A 1 91 ? -5.223 14.660 6.931 1.00 87.38 91 A 1 ATOM 696 C CD1 . LEU A 1 91 ? -4.530 15.961 7.344 1.00 83.97 91 A 1 ATOM 697 C CD2 . LEU A 1 91 ? -6.695 14.970 6.688 1.00 84.28 91 A 1 ATOM 698 N N . PHE A 1 92 ? -5.125 11.974 2.865 1.00 96.95 92 A 1 ATOM 699 C CA . PHE A 1 92 ? -4.573 11.433 1.618 1.00 97.46 92 A 1 ATOM 700 C C . PHE A 1 92 ? -4.117 12.522 0.643 1.00 97.61 92 A 1 ATOM 701 O O . PHE A 1 92 ? -3.188 12.298 -0.118 1.00 97.06 92 A 1 ATOM 702 C CB . PHE A 1 92 ? -5.607 10.511 0.964 1.00 97.44 92 A 1 ATOM 703 C CG . PHE A 1 92 ? -5.728 9.160 1.641 1.00 97.55 92 A 1 ATOM 704 C CD1 . PHE A 1 92 ? -4.909 8.094 1.221 1.00 96.39 92 A 1 ATOM 705 C CD2 . PHE A 1 92 ? -6.639 8.962 2.687 1.00 96.58 92 A 1 ATOM 706 C CE1 . PHE A 1 92 ? -5.005 6.840 1.845 1.00 95.87 92 A 1 ATOM 707 C CE2 . PHE A 1 92 ? -6.731 7.707 3.317 1.00 95.81 92 A 1 ATOM 708 C CZ . PHE A 1 92 ? -5.913 6.647 2.893 1.00 96.16 92 A 1 ATOM 709 N N . GLY A 1 93 ? -4.782 13.689 0.635 1.00 96.48 93 A 1 ATOM 710 C CA . GLY A 1 93 ? -4.577 14.706 -0.407 1.00 96.48 93 A 1 ATOM 711 C C . GLY A 1 93 ? -5.223 14.361 -1.757 1.00 97.07 93 A 1 ATOM 712 O O . GLY A 1 93 ? -5.242 15.186 -2.665 1.00 95.99 93 A 1 ATOM 713 N N . PHE A 1 94 ? -5.788 13.161 -1.888 1.00 96.95 94 A 1 ATOM 714 C CA . PHE A 1 94 ? -6.545 12.702 -3.052 1.00 97.10 94 A 1 ATOM 715 C C . PHE A 1 94 ? -7.875 12.066 -2.634 1.00 97.34 94 A 1 ATOM 716 O O . PHE A 1 94 ? -8.066 11.659 -1.487 1.00 96.87 94 A 1 ATOM 717 C CB . PHE A 1 94 ? -5.698 11.738 -3.887 1.00 97.08 94 A 1 ATOM 718 C CG . PHE A 1 94 ? -5.221 10.497 -3.153 1.00 97.56 94 A 1 ATOM 719 C CD1 . PHE A 1 94 ? -3.914 10.457 -2.630 1.00 96.69 94 A 1 ATOM 720 C CD2 . PHE A 1 94 ? -6.061 9.377 -3.009 1.00 96.73 94 A 1 ATOM 721 C CE1 . PHE A 1 94 ? -3.451 9.308 -1.975 1.00 96.32 94 A 1 ATOM 722 C CE2 . PHE A 1 94 ? -5.597 8.225 -2.346 1.00 96.22 94 A 1 ATOM 723 C CZ . PHE A 1 94 ? -4.288 8.191 -1.834 1.00 96.84 94 A 1 ATOM 724 N N . ARG A 1 95 ? -8.805 11.972 -3.581 1.00 97.04 95 A 1 ATOM 725 C CA . ARG A 1 95 ? -10.147 11.435 -3.330 1.00 97.28 95 A 1 ATOM 726 C C . ARG A 1 95 ? -10.078 9.963 -2.912 1.00 97.58 95 A 1 ATOM 727 O O . ARG A 1 95 ? -9.485 9.155 -3.622 1.00 97.11 95 A 1 ATOM 728 C CB . ARG A 1 95 ? -11.005 11.644 -4.582 1.00 96.84 95 A 1 ATOM 729 C CG . ARG A 1 95 ? -12.497 11.472 -4.275 1.00 94.77 95 A 1 ATOM 730 C CD . ARG A 1 95 ? -13.329 11.777 -5.518 1.00 93.85 95 A 1 ATOM 731 N NE . ARG A 1 95 ? -14.750 11.932 -5.167 1.00 91.27 95 A 1 ATOM 732 C CZ . ARG A 1 95 ? -15.711 12.364 -5.962 1.00 90.38 95 A 1 ATOM 733 N NH1 . ARG A 1 95 ? -15.512 12.593 -7.225 1.00 85.51 95 A 1 ATOM 734 N NH2 . ARG A 1 95 ? -16.901 12.595 -5.487 1.00 85.22 95 A 1 ATOM 735 N N . THR A 1 96 ? -10.733 9.604 -1.812 1.00 97.48 96 A 1 ATOM 736 C CA . THR A 1 96 ? -10.675 8.270 -1.187 1.00 97.57 96 A 1 ATOM 737 C C . THR A 1 96 ? -11.576 7.234 -1.878 1.00 97.81 96 A 1 ATOM 738 O O . THR A 1 96 ? -12.389 6.577 -1.236 1.00 97.34 96 A 1 ATOM 739 C CB . THR A 1 96 ? -10.965 8.371 0.324 1.00 97.13 96 A 1 ATOM 740 O OG1 . THR A 1 96 ? -12.213 8.991 0.545 1.00 95.78 96 A 1 ATOM 741 C CG2 . THR A 1 96 ? -9.907 9.208 1.043 1.00 95.17 96 A 1 ATOM 742 N N . THR A 1 97 ? -11.464 7.083 -3.206 1.00 98.05 97 A 1 ATOM 743 C CA . THR A 1 97 ? -12.123 5.994 -3.940 1.00 98.10 97 A 1 ATOM 744 C C . THR A 1 97 ? -11.330 4.691 -3.804 1.00 98.19 97 A 1 ATOM 745 O O . THR A 1 97 ? -10.124 4.718 -3.543 1.00 98.09 97 A 1 ATOM 746 C CB . THR A 1 97 ? -12.361 6.313 -5.429 1.00 97.98 97 A 1 ATOM 747 O OG1 . THR A 1 97 ? -11.193 6.198 -6.203 1.00 97.17 97 A 1 ATOM 748 C CG2 . THR A 1 97 ? -12.951 7.706 -5.655 1.00 96.75 97 A 1 ATOM 749 N N . ALA A 1 98 ? -11.986 3.549 -4.024 1.00 98.30 98 A 1 ATOM 750 C CA . ALA A 1 98 ? -11.316 2.249 -3.989 1.00 98.36 98 A 1 ATOM 751 C C . ALA A 1 98 ? -10.142 2.179 -4.983 1.00 98.41 98 A 1 ATOM 752 O O . ALA A 1 98 ? -9.093 1.624 -4.658 1.00 98.24 98 A 1 ATOM 753 C CB . ALA A 1 98 ? -12.362 1.159 -4.265 1.00 98.26 98 A 1 ATOM 754 N N . GLU A 1 99 ? -10.274 2.799 -6.159 1.00 98.05 99 A 1 ATOM 755 C CA . GLU A 1 99 ? -9.245 2.864 -7.201 1.00 98.04 99 A 1 ATOM 756 C C . GLU A 1 99 ? -8.010 3.633 -6.720 1.00 98.02 99 A 1 ATOM 757 O O . GLU A 1 99 ? -6.898 3.108 -6.749 1.00 97.69 99 A 1 ATOM 758 C CB . GLU A 1 99 ? -9.803 3.521 -8.479 1.00 97.95 99 A 1 ATOM 759 C CG . GLU A 1 99 ? -11.036 2.828 -9.084 1.00 96.99 99 A 1 ATOM 760 C CD . GLU A 1 99 ? -12.387 3.283 -8.503 1.00 97.14 99 A 1 ATOM 761 O OE1 . GLU A 1 99 ? -13.413 3.002 -9.150 1.00 93.98 99 A 1 ATOM 762 O OE2 . GLU A 1 99 ? -12.410 3.926 -7.421 1.00 94.73 99 A 1 ATOM 763 N N . ASN A 1 100 ? -8.200 4.858 -6.224 1.00 98.07 100 A 1 ATOM 764 C CA . ASN A 1 100 ? -7.092 5.688 -5.752 1.00 97.92 100 A 1 ATOM 765 C C . ASN A 1 100 ? -6.393 5.062 -4.538 1.00 98.08 100 A 1 ATOM 766 O O . ASN A 1 100 ? -5.165 5.037 -4.474 1.00 97.99 100 A 1 ATOM 767 C CB . ASN A 1 100 ? -7.617 7.086 -5.407 1.00 97.72 100 A 1 ATOM 768 C CG . ASN A 1 100 ? -7.969 7.936 -6.612 1.00 97.04 100 A 1 ATOM 769 O OD1 . ASN A 1 100 ? -7.557 7.705 -7.736 1.00 94.13 100 A 1 ATOM 770 N ND2 . ASN A 1 100 ? -8.721 8.989 -6.396 1.00 93.40 100 A 1 ATOM 771 N N . MET A 1 101 ? -7.157 4.509 -3.595 1.00 98.22 101 A 1 ATOM 772 C CA . MET A 1 101 ? -6.584 3.817 -2.439 1.00 98.21 101 A 1 ATOM 773 C C . MET A 1 101 ? -5.860 2.524 -2.842 1.00 98.37 101 A 1 ATOM 774 O O . MET A 1 101 ? -4.803 2.231 -2.290 1.00 98.17 101 A 1 ATOM 775 C CB . MET A 1 101 ? -7.666 3.533 -1.394 1.00 97.84 101 A 1 ATOM 776 C CG . MET A 1 101 ? -8.188 4.808 -0.720 1.00 94.38 101 A 1 ATOM 777 S SD . MET A 1 101 ? -9.214 4.500 0.745 1.00 90.67 101 A 1 ATOM 778 C CE . MET A 1 101 ? -10.662 3.702 0.001 1.00 79.39 101 A 1 ATOM 779 N N . SER A 1 102 ? -6.365 1.769 -3.824 1.00 98.16 102 A 1 ATOM 780 C CA . SER A 1 102 ? -5.675 0.581 -4.354 1.00 98.07 102 A 1 ATOM 781 C C . SER A 1 102 ? -4.335 0.950 -4.998 1.00 98.04 102 A 1 ATOM 782 O O . SER A 1 102 ? -3.327 0.288 -4.731 1.00 97.77 102 A 1 ATOM 783 C CB . SER A 1 102 ? -6.574 -0.146 -5.357 1.00 97.69 102 A 1 ATOM 784 O OG . SER A 1 102 ? -5.962 -1.355 -5.767 1.00 84.86 102 A 1 ATOM 785 N N . ARG A 1 103 ? -4.280 2.049 -5.765 1.00 97.58 103 A 1 ATOM 786 C CA . ARG A 1 103 ? -3.031 2.592 -6.337 1.00 97.39 103 A 1 ATOM 787 C C . ARG A 1 103 ? -2.047 2.992 -5.243 1.00 97.40 103 A 1 ATOM 788 O O . ARG A 1 103 ? -0.905 2.536 -5.242 1.00 97.10 103 A 1 ATOM 789 C CB . ARG A 1 103 ? -3.326 3.794 -7.254 1.00 97.02 103 A 1 ATOM 790 C CG . ARG A 1 103 ? -4.016 3.368 -8.556 1.00 94.39 103 A 1 ATOM 791 C CD . ARG A 1 103 ? -4.334 4.578 -9.461 1.00 93.83 103 A 1 ATOM 792 N NE . ARG A 1 103 ? -3.120 5.219 -10.008 1.00 90.76 103 A 1 ATOM 793 C CZ . ARG A 1 103 ? -2.326 4.761 -10.964 1.00 89.88 103 A 1 ATOM 794 N NH1 . ARG A 1 103 ? -2.496 3.601 -11.539 1.00 82.29 103 A 1 ATOM 795 N NH2 . ARG A 1 103 ? -1.333 5.488 -11.384 1.00 82.88 103 A 1 ATOM 796 N N . PHE A 1 104 ? -2.495 3.770 -4.271 1.00 97.77 104 A 1 ATOM 797 C CA . PHE A 1 104 ? -1.694 4.185 -3.119 1.00 97.86 104 A 1 ATOM 798 C C . PHE A 1 104 ? -1.105 2.991 -2.353 1.00 97.82 104 A 1 ATOM 799 O O . PHE A 1 104 ? 0.099 2.947 -2.091 1.00 97.75 104 A 1 ATOM 800 C CB . PHE A 1 104 ? -2.573 5.039 -2.195 1.00 98.05 104 A 1 ATOM 801 C CG . PHE A 1 104 ? -2.006 5.199 -0.800 1.00 98.24 104 A 1 ATOM 802 C CD1 . PHE A 1 104 ? -2.621 4.566 0.298 1.00 97.99 104 A 1 ATOM 803 C CD2 . PHE A 1 104 ? -0.834 5.952 -0.608 1.00 98.12 104 A 1 ATOM 804 C CE1 . PHE A 1 104 ? -2.075 4.702 1.584 1.00 98.02 104 A 1 ATOM 805 C CE2 . PHE A 1 104 ? -0.289 6.085 0.679 1.00 97.90 104 A 1 ATOM 806 C CZ . PHE A 1 104 ? -0.912 5.465 1.775 1.00 98.16 104 A 1 ATOM 807 N N . LEU A 1 105 ? -1.935 1.995 -2.027 1.00 97.98 105 A 1 ATOM 808 C CA . LEU A 1 105 ? -1.498 0.793 -1.319 1.00 97.97 105 A 1 ATOM 809 C C . LEU A 1 105 ? -0.516 -0.029 -2.156 1.00 97.68 105 A 1 ATOM 810 O O . LEU A 1 105 ? 0.465 -0.524 -1.609 1.00 97.54 105 A 1 ATOM 811 C CB . LEU A 1 105 ? -2.724 -0.051 -0.929 1.00 98.28 105 A 1 ATOM 812 C CG . LEU A 1 105 ? -3.578 0.549 0.202 1.00 98.13 105 A 1 ATOM 813 C CD1 . LEU A 1 105 ? -4.840 -0.298 0.383 1.00 97.83 105 A 1 ATOM 814 C CD2 . LEU A 1 105 ? -2.829 0.583 1.533 1.00 97.83 105 A 1 ATOM 815 N N . THR A 1 106 ? -0.738 -0.144 -3.467 1.00 97.70 106 A 1 ATOM 816 C CA . THR A 1 106 ? 0.171 -0.876 -4.367 1.00 97.38 106 A 1 ATOM 817 C C . THR A 1 106 ? 1.554 -0.248 -4.365 1.00 96.92 106 A 1 ATOM 818 O O . THR A 1 106 ? 2.537 -0.949 -4.132 1.00 96.52 106 A 1 ATOM 819 C CB . THR A 1 106 ? -0.369 -0.947 -5.802 1.00 97.27 106 A 1 ATOM 820 O OG1 . THR A 1 106 ? -1.608 -1.608 -5.768 1.00 96.24 106 A 1 ATOM 821 C CG2 . THR A 1 106 ? 0.541 -1.749 -6.736 1.00 96.27 106 A 1 ATOM 822 N N . TRP A 1 107 ? 1.640 1.064 -4.562 1.00 97.04 107 A 1 ATOM 823 C CA . TRP A 1 107 ? 2.918 1.765 -4.542 1.00 96.47 107 A 1 ATOM 824 C C . TRP A 1 107 ? 3.584 1.676 -3.164 1.00 96.32 107 A 1 ATOM 825 O O . TRP A 1 107 ? 4.709 1.196 -3.052 1.00 96.15 107 A 1 ATOM 826 C CB . TRP A 1 107 ? 2.721 3.216 -5.004 1.00 96.35 107 A 1 ATOM 827 C CG . TRP A 1 107 ? 3.993 4.001 -4.988 1.00 95.95 107 A 1 ATOM 828 C CD1 . TRP A 1 107 ? 4.942 3.983 -5.950 1.00 94.84 107 A 1 ATOM 829 C CD2 . TRP A 1 107 ? 4.530 4.814 -3.906 1.00 96.23 107 A 1 ATOM 830 N NE1 . TRP A 1 107 ? 6.030 4.721 -5.542 1.00 94.68 107 A 1 ATOM 831 C CE2 . TRP A 1 107 ? 5.842 5.233 -4.278 1.00 95.54 107 A 1 ATOM 832 C CE3 . TRP A 1 107 ? 4.056 5.206 -2.637 1.00 95.11 107 A 1 ATOM 833 C CZ2 . TRP A 1 107 ? 6.657 5.980 -3.411 1.00 94.45 107 A 1 ATOM 834 C CZ3 . TRP A 1 107 ? 4.863 5.964 -1.768 1.00 94.05 107 A 1 ATOM 835 C CH2 . TRP A 1 107 ? 6.165 6.342 -2.145 1.00 93.75 107 A 1 ATOM 836 N N . THR A 1 108 ? 2.875 2.028 -2.104 1.00 97.27 108 A 1 ATOM 837 C CA . THR A 1 108 ? 3.455 2.086 -0.748 1.00 97.20 108 A 1 ATOM 838 C C . THR A 1 108 ? 3.920 0.714 -0.258 1.00 97.00 108 A 1 ATOM 839 O O . THR A 1 108 ? 5.022 0.576 0.267 1.00 96.61 108 A 1 ATOM 840 C CB . THR A 1 108 ? 2.455 2.669 0.261 1.00 97.23 108 A 1 ATOM 841 O OG1 . THR A 1 108 ? 1.949 3.902 -0.183 1.00 93.54 108 A 1 ATOM 842 C CG2 . THR A 1 108 ? 3.119 2.930 1.612 1.00 93.32 108 A 1 ATOM 843 N N . LEU A 1 109 ? 3.116 -0.334 -0.441 1.00 97.15 109 A 1 ATOM 844 C CA . LEU A 1 109 ? 3.495 -1.682 -0.019 1.00 97.02 109 A 1 ATOM 845 C C . LEU A 1 109 ? 4.592 -2.279 -0.904 1.00 96.55 109 A 1 ATOM 846 O O . LEU A 1 109 ? 5.347 -3.118 -0.422 1.00 96.14 109 A 1 ATOM 847 C CB . LEU A 1 109 ? 2.259 -2.595 0.039 1.00 97.41 109 A 1 ATOM 848 C CG . LEU A 1 109 ? 1.209 -2.199 1.093 1.00 97.09 109 A 1 ATOM 849 C CD1 . LEU A 1 109 ? 0.054 -3.204 1.064 1.00 96.35 109 A 1 ATOM 850 C CD2 . LEU A 1 109 ? 1.776 -2.186 2.517 1.00 96.25 109 A 1 ATOM 851 N N . THR A 1 110 ? 4.722 -1.848 -2.163 1.00 96.83 110 A 1 ATOM 852 C CA . THR A 1 110 ? 5.883 -2.199 -2.997 1.00 96.29 110 A 1 ATOM 853 C C . THR A 1 110 ? 7.166 -1.659 -2.375 1.00 95.85 110 A 1 ATOM 854 O O . THR A 1 110 ? 8.094 -2.439 -2.166 1.00 94.94 110 A 1 ATOM 855 C CB . THR A 1 110 ? 5.719 -1.710 -4.446 1.00 95.92 110 A 1 ATOM 856 O OG1 . THR A 1 110 ? 4.634 -2.396 -5.034 1.00 93.78 110 A 1 ATOM 857 C CG2 . THR A 1 110 ? 6.939 -1.999 -5.319 1.00 93.63 110 A 1 ATOM 858 N N . GLU A 1 111 ? 7.186 -0.388 -1.991 1.00 95.94 111 A 1 ATOM 859 C CA . GLU A 1 111 ? 8.342 0.244 -1.342 1.00 95.52 111 A 1 ATOM 860 C C . GLU A 1 111 ? 8.671 -0.385 0.024 1.00 95.38 111 A 1 ATOM 861 O O . GLU A 1 111 ? 9.836 -0.587 0.353 1.00 94.07 111 A 1 ATOM 862 C CB . GLU A 1 111 ? 8.087 1.752 -1.170 1.00 95.33 111 A 1 ATOM 863 C CG . GLU A 1 111 ? 7.946 2.518 -2.496 1.00 93.73 111 A 1 ATOM 864 C CD . GLU A 1 111 ? 9.175 2.377 -3.397 1.00 93.32 111 A 1 ATOM 865 O OE1 . GLU A 1 111 ? 9.000 2.010 -4.580 1.00 86.93 111 A 1 ATOM 866 O OE2 . GLU A 1 111 ? 10.294 2.633 -2.895 1.00 87.95 111 A 1 ATOM 867 N N . LEU A 1 112 ? 7.672 -0.759 0.808 1.00 95.36 112 A 1 ATOM 868 C CA . LEU A 1 112 ? 7.876 -1.385 2.123 1.00 95.09 112 A 1 ATOM 869 C C . LEU A 1 112 ? 8.313 -2.858 2.037 1.00 94.50 112 A 1 ATOM 870 O O . LEU A 1 112 ? 9.074 -3.340 2.876 1.00 93.31 112 A 1 ATOM 871 C CB . LEU A 1 112 ? 6.575 -1.260 2.936 1.00 95.72 112 A 1 ATOM 872 C CG . LEU A 1 112 ? 6.240 0.170 3.400 1.00 95.55 112 A 1 ATOM 873 C CD1 . LEU A 1 112 ? 4.837 0.188 4.012 1.00 94.85 112 A 1 ATOM 874 C CD2 . LEU A 1 112 ? 7.222 0.674 4.453 1.00 94.92 112 A 1 ATOM 875 N N . MET A 1 113 ? 7.837 -3.601 1.041 1.00 94.20 113 A 1 ATOM 876 C CA . MET A 1 113 ? 8.028 -5.052 0.954 1.00 93.21 113 A 1 ATOM 877 C C . MET A 1 113 ? 9.202 -5.482 0.069 1.00 91.99 113 A 1 ATOM 878 O O . MET A 1 113 ? 9.493 -6.683 0.012 1.00 89.75 113 A 1 ATOM 879 C CB . MET A 1 113 ? 6.719 -5.710 0.481 1.00 93.21 113 A 1 ATOM 880 C CG . MET A 1 113 ? 5.588 -5.660 1.522 1.00 90.18 113 A 1 ATOM 881 S SD . MET A 1 113 ? 5.839 -6.630 3.050 1.00 89.83 113 A 1 ATOM 882 C CE . MET A 1 113 ? 6.187 -8.276 2.387 1.00 80.79 113 A 1 ATOM 883 N N . TRP A 1 114 ? 9.895 -4.561 -0.608 1.00 92.29 114 A 1 ATOM 884 C CA . TRP A 1 114 ? 10.868 -4.872 -1.669 1.00 90.64 114 A 1 ATOM 885 C C . TRP A 1 114 ? 11.990 -5.837 -1.247 1.00 90.64 114 A 1 ATOM 886 O O . TRP A 1 114 ? 12.414 -6.670 -2.051 1.00 88.88 114 A 1 ATOM 887 C CB . TRP A 1 114 ? 11.465 -3.576 -2.218 1.00 88.78 114 A 1 ATOM 888 C CG . TRP A 1 114 ? 12.492 -2.923 -1.341 1.00 83.77 114 A 1 ATOM 889 C CD1 . TRP A 1 114 ? 12.249 -2.017 -0.375 1.00 79.17 114 A 1 ATOM 890 C CD2 . TRP A 1 114 ? 13.939 -3.122 -1.346 1.00 81.89 114 A 1 ATOM 891 N NE1 . TRP A 1 114 ? 13.439 -1.633 0.219 1.00 71.10 114 A 1 ATOM 892 C CE2 . TRP A 1 114 ? 14.513 -2.281 -0.347 1.00 76.82 114 A 1 ATOM 893 C CE3 . TRP A 1 114 ? 14.823 -3.918 -2.104 1.00 71.34 114 A 1 ATOM 894 C CZ2 . TRP A 1 114 ? 15.898 -2.227 -0.114 1.00 72.16 114 A 1 ATOM 895 C CZ3 . TRP A 1 114 ? 16.213 -3.877 -1.876 1.00 71.61 114 A 1 ATOM 896 C CH2 . TRP A 1 114 ? 16.748 -3.033 -0.887 1.00 69.39 114 A 1 ATOM 897 N N . LYS A 1 115 ? 12.433 -5.788 0.011 1.00 89.99 115 A 1 ATOM 898 C CA . LYS A 1 115 ? 13.456 -6.691 0.579 1.00 89.54 115 A 1 ATOM 899 C C . LYS A 1 115 ? 12.965 -8.135 0.745 1.00 90.52 115 A 1 ATOM 900 O O . LYS A 1 115 ? 13.774 -9.047 0.879 1.00 88.64 115 A 1 ATOM 901 C CB . LYS A 1 115 ? 13.951 -6.146 1.938 1.00 88.21 115 A 1 ATOM 902 C CG . LYS A 1 115 ? 14.724 -4.817 1.837 1.00 83.94 115 A 1 ATOM 903 C CD . LYS A 1 115 ? 15.151 -4.281 3.220 1.00 79.99 115 A 1 ATOM 904 C CE . LYS A 1 115 ? 15.899 -2.949 3.097 1.00 74.02 115 A 1 ATOM 905 N NZ . LYS A 1 115 ? 16.093 -2.246 4.398 1.00 64.93 115 A 1 ATOM 906 N N . HIS A 1 116 ? 11.663 -8.354 0.782 1.00 91.25 116 A 1 ATOM 907 C CA . HIS A 1 116 ? 11.053 -9.636 1.127 1.00 90.34 116 A 1 ATOM 908 C C . HIS A 1 116 ? 10.354 -10.309 -0.051 1.00 90.18 116 A 1 ATOM 909 O O . HIS A 1 116 ? 10.496 -11.515 -0.236 1.00 87.07 116 A 1 ATOM 910 C CB . HIS A 1 116 ? 10.078 -9.431 2.293 1.00 90.14 116 A 1 ATOM 911 C CG . HIS A 1 116 ? 10.759 -8.938 3.537 1.00 89.75 116 A 1 ATOM 912 N ND1 . HIS A 1 116 ? 11.676 -9.641 4.290 1.00 81.60 116 A 1 ATOM 913 C CD2 . HIS A 1 116 ? 10.617 -7.708 4.114 1.00 81.76 116 A 1 ATOM 914 C CE1 . HIS A 1 116 ? 12.073 -8.847 5.295 1.00 83.01 116 A 1 ATOM 915 N NE2 . HIS A 1 116 ? 11.451 -7.665 5.232 1.00 84.36 116 A 1 ATOM 916 N N . ALA A 1 117 ? 9.582 -9.553 -0.828 1.00 91.14 117 A 1 ATOM 917 C CA . ALA A 1 117 ? 8.894 -10.062 -2.008 1.00 91.15 117 A 1 ATOM 918 C C . ALA A 1 117 ? 8.412 -8.922 -2.907 1.00 92.51 117 A 1 ATOM 919 O O . ALA A 1 117 ? 8.119 -7.823 -2.443 1.00 91.17 117 A 1 ATOM 920 C CB . ALA A 1 117 ? 7.700 -10.921 -1.577 1.00 89.15 117 A 1 ATOM 921 N N . ARG A 1 118 ? 8.263 -9.224 -4.194 1.00 92.91 118 A 1 ATOM 922 C CA . ARG A 1 118 ? 7.640 -8.310 -5.153 1.00 93.65 118 A 1 ATOM 923 C C . ARG A 1 118 ? 6.121 -8.349 -4.997 1.00 94.97 118 A 1 ATOM 924 O O . ARG A 1 118 ? 5.522 -9.415 -5.158 1.00 94.64 118 A 1 ATOM 925 C CB . ARG A 1 118 ? 8.083 -8.692 -6.573 1.00 91.78 118 A 1 ATOM 926 C CG . ARG A 1 118 ? 7.612 -7.675 -7.619 1.00 84.98 118 A 1 ATOM 927 C CD . ARG A 1 118 ? 8.074 -8.054 -9.033 1.00 80.54 118 A 1 ATOM 928 N NE . ARG A 1 118 ? 7.436 -9.299 -9.518 1.00 75.01 118 A 1 ATOM 929 C CZ . ARG A 1 118 ? 6.258 -9.422 -10.108 1.00 68.36 118 A 1 ATOM 930 N NH1 . ARG A 1 118 ? 5.503 -8.407 -10.384 1.00 61.62 118 A 1 ATOM 931 N NH2 . ARG A 1 118 ? 5.810 -10.591 -10.440 1.00 60.24 118 A 1 ATOM 932 N N . ILE A 1 119 ? 5.503 -7.199 -4.759 1.00 95.70 119 A 1 ATOM 933 C CA . ILE A 1 119 ? 4.052 -7.042 -4.916 1.00 96.01 119 A 1 ATOM 934 C C . ILE A 1 119 ? 3.690 -7.314 -6.382 1.00 95.84 119 A 1 ATOM 935 O O . ILE A 1 119 ? 4.389 -6.900 -7.303 1.00 94.49 119 A 1 ATOM 936 C CB . ILE A 1 119 ? 3.580 -5.648 -4.444 1.00 95.58 119 A 1 ATOM 937 C CG1 . ILE A 1 119 ? 3.900 -5.385 -2.953 1.00 93.46 119 A 1 ATOM 938 C CG2 . ILE A 1 119 ? 2.080 -5.442 -4.705 1.00 94.24 119 A 1 ATOM 939 C CD1 . ILE A 1 119 ? 3.248 -6.344 -1.948 1.00 89.78 119 A 1 ATOM 940 N N . ASP A 1 120 ? 2.622 -8.058 -6.596 1.00 96.35 120 A 1 ATOM 941 C CA . ASP A 1 120 ? 2.100 -8.370 -7.926 1.00 96.15 120 A 1 ATOM 942 C C . ASP A 1 120 ? 0.809 -7.597 -8.203 1.00 96.49 120 A 1 ATOM 943 O O . ASP A 1 120 ? 0.669 -6.998 -9.264 1.00 95.60 120 A 1 ATOM 944 C CB . ASP A 1 120 ? 1.914 -9.881 -8.024 1.00 95.21 120 A 1 ATOM 945 C CG . ASP A 1 120 ? 1.506 -10.307 -9.421 1.00 92.95 120 A 1 ATOM 946 O OD1 . ASP A 1 120 ? 2.391 -10.501 -10.291 1.00 88.14 120 A 1 ATOM 947 O OD2 . ASP A 1 120 ? 0.316 -10.579 -9.606 1.00 87.53 120 A 1 ATOM 948 N N . SER A 1 121 ? -0.097 -7.557 -7.246 1.00 96.87 121 A 1 ATOM 949 C CA . SER A 1 121 ? -1.254 -6.666 -7.236 1.00 97.09 121 A 1 ATOM 950 C C . SER A 1 121 ? -1.790 -6.434 -5.827 1.00 97.30 121 A 1 ATOM 951 O O . SER A 1 121 ? -1.600 -7.256 -4.924 1.00 97.19 121 A 1 ATOM 952 C CB . SER A 1 121 ? -2.367 -7.171 -8.162 1.00 96.85 121 A 1 ATOM 953 O OG . SER A 1 121 ? -2.963 -8.391 -7.762 1.00 96.30 121 A 1 ATOM 954 N N . ILE A 1 122 ? -2.500 -5.310 -5.663 1.00 98.00 122 A 1 ATOM 955 C CA . ILE A 1 122 ? -3.320 -5.025 -4.488 1.00 98.13 122 A 1 ATOM 956 C C . ILE A 1 122 ? -4.768 -4.901 -4.941 1.00 98.21 122 A 1 ATOM 957 O O . ILE A 1 122 ? -5.104 -4.058 -5.772 1.00 98.00 122 A 1 ATOM 958 C CB . ILE A 1 122 ? -2.853 -3.751 -3.757 1.00 97.90 122 A 1 ATOM 959 C CG1 . ILE A 1 122 ? -1.384 -3.832 -3.299 1.00 96.49 122 A 1 ATOM 960 C CG2 . ILE A 1 122 ? -3.773 -3.450 -2.558 1.00 97.40 122 A 1 ATOM 961 C CD1 . ILE A 1 122 ? -1.064 -4.912 -2.270 1.00 93.31 122 A 1 ATOM 962 N N . LYS A 1 123 ? -5.627 -5.719 -4.362 1.00 98.36 123 A 1 ATOM 963 C CA . LYS A 1 123 ? -7.073 -5.640 -4.553 1.00 98.38 123 A 1 ATOM 964 C C . LYS A 1 123 ? -7.718 -5.103 -3.283 1.00 98.55 123 A 1 ATOM 965 O O . LYS A 1 123 ? -7.686 -5.761 -2.241 1.00 98.28 123 A 1 ATOM 966 C CB . LYS A 1 123 ? -7.593 -7.016 -4.967 1.00 97.75 123 A 1 ATOM 967 C CG . LYS A 1 123 ? -9.079 -6.999 -5.314 1.00 93.23 123 A 1 ATOM 968 C CD . LYS A 1 123 ? -9.539 -8.377 -5.832 1.00 93.38 123 A 1 ATOM 969 C CE . LYS A 1 123 ? -8.821 -8.666 -7.152 1.00 87.55 123 A 1 ATOM 970 N NZ . LYS A 1 123 ? -8.862 -10.062 -7.576 1.00 83.50 123 A 1 ATOM 971 N N . LEU A 1 124 ? -8.309 -3.912 -3.386 1.00 98.56 124 A 1 ATOM 972 C CA . LEU A 1 124 ? -9.042 -3.275 -2.299 1.00 98.64 124 A 1 ATOM 973 C C . LEU A 1 124 ? -10.543 -3.465 -2.509 1.00 98.64 124 A 1 ATOM 974 O O . LEU A 1 124 ? -11.107 -2.969 -3.481 1.00 98.37 124 A 1 ATOM 975 C CB . LEU A 1 124 ? -8.652 -1.791 -2.219 1.00 98.55 124 A 1 ATOM 976 C CG . LEU A 1 124 ? -9.329 -1.046 -1.056 1.00 98.03 124 A 1 ATOM 977 C CD1 . LEU A 1 124 ? -8.841 -1.547 0.304 1.00 96.47 124 A 1 ATOM 978 C CD2 . LEU A 1 124 ? -9.020 0.443 -1.153 1.00 96.69 124 A 1 ATOM 979 N N . TRP A 1 125 ? -11.174 -4.171 -1.596 1.00 98.66 125 A 1 ATOM 980 C CA . TRP A 1 125 ? -12.620 -4.339 -1.554 1.00 98.61 125 A 1 ATOM 981 C C . TRP A 1 125 ? -13.217 -3.299 -0.610 1.00 98.67 125 A 1 ATOM 982 O O . TRP A 1 125 ? -12.917 -3.325 0.586 1.00 98.30 125 A 1 ATOM 983 C CB . TRP A 1 125 ? -12.981 -5.749 -1.097 1.00 98.16 125 A 1 ATOM 984 C CG . TRP A 1 125 ? -12.468 -6.870 -1.949 1.00 97.61 125 A 1 ATOM 985 C CD1 . TRP A 1 125 ? -11.191 -7.321 -1.988 1.00 94.90 125 A 1 ATOM 986 C CD2 . TRP A 1 125 ? -13.217 -7.693 -2.894 1.00 97.00 125 A 1 ATOM 987 N NE1 . TRP A 1 125 ? -11.097 -8.366 -2.892 1.00 94.16 125 A 1 ATOM 988 C CE2 . TRP A 1 125 ? -12.317 -8.641 -3.474 1.00 95.96 125 A 1 ATOM 989 C CE3 . TRP A 1 125 ? -14.561 -7.734 -3.314 1.00 94.17 125 A 1 ATOM 990 C CZ2 . TRP A 1 125 ? -12.734 -9.586 -4.426 1.00 93.90 125 A 1 ATOM 991 C CZ3 . TRP A 1 125 ? -14.991 -8.678 -4.266 1.00 92.15 125 A 1 ATOM 992 C CH2 . TRP A 1 125 ? -14.080 -9.601 -4.822 1.00 91.69 125 A 1 ATOM 993 N N . GLU A 1 126 ? -14.077 -2.441 -1.145 1.00 98.26 126 A 1 ATOM 994 C CA . GLU A 1 126 ? -14.881 -1.496 -0.358 1.00 98.08 126 A 1 ATOM 995 C C . GLU A 1 126 ? -16.144 -2.178 0.195 1.00 97.97 126 A 1 ATOM 996 O O . GLU A 1 126 ? -16.605 -1.896 1.293 1.00 96.42 126 A 1 ATOM 997 C CB . GLU A 1 126 ? -15.245 -0.311 -1.261 1.00 97.37 126 A 1 ATOM 998 C CG . GLU A 1 126 ? -15.945 0.813 -0.496 1.00 94.62 126 A 1 ATOM 999 C CD . GLU A 1 126 ? -16.294 1.970 -1.432 1.00 94.40 126 A 1 ATOM 1000 O OE1 . GLU A 1 126 ? -17.493 2.095 -1.767 1.00 87.23 126 A 1 ATOM 1001 O OE2 . GLU A 1 126 ? -15.358 2.690 -1.837 1.00 88.88 126 A 1 ATOM 1002 N N . THR A 1 127 ? -16.683 -3.118 -0.566 1.00 98.15 127 A 1 ATOM 1003 C CA . THR A 1 127 ? -17.839 -3.936 -0.178 1.00 97.86 127 A 1 ATOM 1004 C C . THR A 1 127 ? -17.587 -5.404 -0.536 1.00 98.05 127 A 1 ATOM 1005 O O . THR A 1 127 ? -16.683 -5.702 -1.320 1.00 97.82 127 A 1 ATOM 1006 C CB . THR A 1 127 ? -19.140 -3.445 -0.844 1.00 97.20 127 A 1 ATOM 1007 O OG1 . THR A 1 127 ? -19.157 -3.768 -2.210 1.00 95.73 127 A 1 ATOM 1008 C CG2 . THR A 1 127 ? -19.391 -1.943 -0.704 1.00 94.82 127 A 1 ATOM 1009 N N . PRO A 1 128 ? -18.405 -6.358 -0.051 1.00 97.93 128 A 1 ATOM 1010 C CA . PRO A 1 128 ? -18.264 -7.763 -0.450 1.00 97.63 128 A 1 ATOM 1011 C C . PRO A 1 128 ? -18.371 -8.022 -1.961 1.00 97.83 128 A 1 ATOM 1012 O O . PRO A 1 128 ? -17.962 -9.085 -2.429 1.00 97.07 128 A 1 ATOM 1013 C CB . PRO A 1 128 ? -19.366 -8.505 0.314 1.00 97.02 128 A 1 ATOM 1014 C CG . PRO A 1 128 ? -19.594 -7.632 1.549 1.00 95.74 128 A 1 ATOM 1015 C CD . PRO A 1 128 ? -19.403 -6.221 0.997 1.00 97.45 128 A 1 ATOM 1016 N N . THR A 1 129 ? -18.924 -7.069 -2.726 1.00 98.10 129 A 1 ATOM 1017 C CA . THR A 1 129 ? -19.199 -7.204 -4.163 1.00 98.04 129 A 1 ATOM 1018 C C . THR A 1 129 ? -18.489 -6.171 -5.039 1.00 98.17 129 A 1 ATOM 1019 O O . THR A 1 129 ? -18.585 -6.266 -6.259 1.00 97.49 129 A 1 ATOM 1020 C CB . THR A 1 129 ? -20.710 -7.136 -4.426 1.00 97.73 129 A 1 ATOM 1021 O OG1 . THR A 1 129 ? -21.247 -5.929 -3.923 1.00 97.18 129 A 1 ATOM 1022 C CG2 . THR A 1 129 ? -21.473 -8.273 -3.748 1.00 96.28 129 A 1 ATOM 1023 N N . GLY A 1 130 ? -17.802 -5.182 -4.452 1.00 97.91 130 A 1 ATOM 1024 C CA . GLY A 1 130 ? -17.125 -4.102 -5.166 1.00 97.81 130 A 1 ATOM 1025 C C . GLY A 1 130 ? -15.671 -3.963 -4.736 1.00 98.13 130 A 1 ATOM 1026 O O . GLY A 1 130 ? -15.398 -3.792 -3.552 1.00 97.61 130 A 1 ATOM 1027 N N . CYS A 1 131 ? -14.748 -4.043 -5.703 1.00 98.35 131 A 1 ATOM 1028 C CA . CYS A 1 131 ? -13.320 -3.867 -5.463 1.00 98.35 131 A 1 ATOM 1029 C C . CYS A 1 131 ? -12.630 -3.156 -6.626 1.00 98.47 131 A 1 ATOM 1030 O O . CYS A 1 131 ? -13.076 -3.252 -7.769 1.00 98.11 131 A 1 ATOM 1031 C CB . CYS A 1 131 ? -12.650 -5.220 -5.182 1.00 97.64 131 A 1 ATOM 1032 S SG . CYS A 1 131 ? -12.687 -6.313 -6.641 1.00 96.80 131 A 1 ATOM 1033 N N . ALA A 1 132 ? -11.492 -2.525 -6.327 1.00 98.47 132 A 1 ATOM 1034 C CA . ALA A 1 132 ? -10.520 -2.054 -7.305 1.00 98.47 132 A 1 ATOM 1035 C C . ALA A 1 132 ? -9.234 -2.877 -7.179 1.00 98.50 132 A 1 ATOM 1036 O O . ALA A 1 132 ? -8.833 -3.249 -6.076 1.00 98.28 132 A 1 ATOM 1037 C CB . ALA A 1 132 ? -10.276 -0.560 -7.095 1.00 98.30 132 A 1 ATOM 1038 N N . GLU A 1 133 ? -8.591 -3.169 -8.301 1.00 98.03 133 A 1 ATOM 1039 C CA . GLU A 1 133 ? -7.306 -3.876 -8.347 1.00 97.95 133 A 1 ATOM 1040 C C . GLU A 1 133 ? -6.286 -3.016 -9.083 1.00 97.90 133 A 1 ATOM 1041 O O . GLU A 1 133 ? -6.531 -2.597 -10.209 1.00 97.42 133 A 1 ATOM 1042 C CB . GLU A 1 133 ? -7.480 -5.270 -8.979 1.00 97.53 133 A 1 ATOM 1043 C CG . GLU A 1 133 ? -6.171 -6.090 -9.018 1.00 96.86 133 A 1 ATOM 1044 C CD . GLU A 1 133 ? -6.376 -7.585 -9.358 1.00 96.48 133 A 1 ATOM 1045 O OE1 . GLU A 1 133 ? -5.446 -8.388 -9.088 1.00 92.49 133 A 1 ATOM 1046 O OE2 . GLU A 1 133 ? -7.485 -8.012 -9.760 1.00 93.31 133 A 1 ATOM 1047 N N . CYS A 1 134 ? -5.143 -2.775 -8.446 1.00 97.65 134 A 1 ATOM 1048 C CA . CYS A 1 134 ? -3.985 -2.125 -9.041 1.00 97.39 134 A 1 ATOM 1049 C C . CYS A 1 134 ? -2.834 -3.131 -9.094 1.00 97.05 134 A 1 ATOM 1050 O O . CYS A 1 134 ? -2.565 -3.840 -8.122 1.00 96.31 134 A 1 ATOM 1051 C CB . CYS A 1 134 ? -3.642 -0.868 -8.238 1.00 97.27 134 A 1 ATOM 1052 S SG . CYS A 1 134 ? -2.197 -0.012 -8.908 1.00 96.33 134 A 1 ATOM 1053 N N . THR A 1 135 ? -2.168 -3.219 -10.245 1.00 96.13 135 A 1 ATOM 1054 C CA . THR A 1 135 ? -1.080 -4.171 -10.480 1.00 95.13 135 A 1 ATOM 1055 C C . THR A 1 135 ? 0.279 -3.491 -10.368 1.00 93.60 135 A 1 ATOM 1056 O O . THR A 1 135 ? 0.414 -2.296 -10.608 1.00 90.99 135 A 1 ATOM 1057 C CB . THR A 1 135 ? -1.207 -4.876 -11.835 1.00 94.46 135 A 1 ATOM 1058 O OG1 . THR A 1 135 ? -0.976 -3.993 -12.902 1.00 90.25 135 A 1 ATOM 1059 C CG2 . THR A 1 135 ? -2.573 -5.532 -12.051 1.00 88.69 135 A 1 ATOM 1060 N N . TYR A 1 136 ? 1.321 -4.276 -10.082 1.00 88.76 136 A 1 ATOM 1061 C CA . TYR A 1 136 ? 2.710 -3.807 -10.055 1.00 84.88 136 A 1 ATOM 1062 C C . TYR A 1 136 ? 3.162 -3.128 -11.364 1.00 85.24 136 A 1 ATOM 1063 O O . TYR A 1 136 ? 4.073 -2.307 -11.360 1.00 81.86 136 A 1 ATOM 1064 C CB . TYR A 1 136 ? 3.598 -5.021 -9.766 1.00 81.69 136 A 1 ATOM 1065 C CG . TYR A 1 136 ? 5.081 -4.728 -9.802 1.00 77.05 136 A 1 ATOM 1066 C CD1 . TYR A 1 136 ? 5.839 -5.015 -10.958 1.00 70.40 136 A 1 ATOM 1067 C CD2 . TYR A 1 136 ? 5.698 -4.117 -8.695 1.00 70.09 136 A 1 ATOM 1068 C CE1 . TYR A 1 136 ? 7.208 -4.690 -11.002 1.00 64.08 136 A 1 ATOM 1069 C CE2 . TYR A 1 136 ? 7.065 -3.791 -8.736 1.00 63.86 136 A 1 ATOM 1070 C CZ . TYR A 1 136 ? 7.822 -4.075 -9.891 1.00 64.37 136 A 1 ATOM 1071 O OH . TYR A 1 136 ? 9.142 -3.752 -9.931 1.00 64.05 136 A 1 ATOM 1072 N N . TYR A 1 137 ? 2.555 -3.489 -12.492 1.00 84.05 137 A 1 ATOM 1073 C CA . TYR A 1 137 ? 2.931 -2.981 -13.815 1.00 83.92 137 A 1 ATOM 1074 C C . TYR A 1 137 ? 2.286 -1.635 -14.164 1.00 85.73 137 A 1 ATOM 1075 O O . TYR A 1 137 ? 2.570 -1.091 -15.233 1.00 81.06 137 A 1 ATOM 1076 C CB . TYR A 1 137 ? 2.611 -4.043 -14.871 1.00 80.83 137 A 1 ATOM 1077 C CG . TYR A 1 137 ? 3.299 -5.371 -14.621 1.00 74.88 137 A 1 ATOM 1078 C CD1 . TYR A 1 137 ? 4.682 -5.499 -14.858 1.00 68.34 137 A 1 ATOM 1079 C CD2 . TYR A 1 137 ? 2.567 -6.469 -14.128 1.00 68.20 137 A 1 ATOM 1080 C CE1 . TYR A 1 137 ? 5.334 -6.721 -14.608 1.00 60.66 137 A 1 ATOM 1081 C CE2 . TYR A 1 137 ? 3.216 -7.695 -13.875 1.00 60.35 137 A 1 ATOM 1082 C CZ . TYR A 1 137 ? 4.600 -7.819 -14.118 1.00 61.31 137 A 1 ATOM 1083 O OH . TYR A 1 137 ? 5.231 -9.000 -13.872 1.00 57.92 137 A 1 ATOM 1084 N N . GLU A 1 138 ? 1.423 -1.100 -13.304 1.00 79.26 138 A 1 ATOM 1085 C CA . GLU A 1 138 ? 0.868 0.233 -13.504 1.00 81.00 138 A 1 ATOM 1086 C C . GLU A 1 138 ? 1.940 1.313 -13.328 1.00 82.04 138 A 1 ATOM 1087 O O . GLU A 1 138 ? 2.829 1.223 -12.485 1.00 80.08 138 A 1 ATOM 1088 C CB . GLU A 1 138 ? -0.335 0.480 -12.596 1.00 81.59 138 A 1 ATOM 1089 C CG . GLU A 1 138 ? -1.558 -0.283 -13.126 1.00 76.13 138 A 1 ATOM 1090 C CD . GLU A 1 138 ? -2.813 0.003 -12.297 1.00 70.92 138 A 1 ATOM 1091 O OE1 . GLU A 1 138 ? -3.522 -0.980 -11.981 1.00 64.67 138 A 1 ATOM 1092 O OE2 . GLU A 1 138 ? -3.069 1.195 -12.007 1.00 68.74 138 A 1 ATOM 1093 N N . ILE A 1 139 ? 1.846 2.343 -14.171 1.00 83.08 139 A 1 ATOM 1094 C CA . ILE A 1 139 ? 2.768 3.474 -14.126 1.00 82.89 139 A 1 ATOM 1095 C C . ILE A 1 139 ? 2.234 4.480 -13.107 1.00 85.14 139 A 1 ATOM 1096 O O . ILE A 1 139 ? 1.075 4.901 -13.184 1.00 83.25 139 A 1 ATOM 1097 C CB . ILE A 1 139 ? 2.967 4.087 -15.532 1.00 79.81 139 A 1 ATOM 1098 C CG1 . ILE A 1 139 ? 3.531 3.022 -16.504 1.00 71.39 139 A 1 ATOM 1099 C CG2 . ILE A 1 139 ? 3.899 5.310 -15.455 1.00 69.49 139 A 1 ATOM 1100 C CD1 . ILE A 1 139 ? 3.624 3.483 -17.966 1.00 60.90 139 A 1 ATOM 1101 N N . PHE A 1 140 ? 3.110 4.874 -12.178 1.00 89.97 140 A 1 ATOM 1102 C CA . PHE A 1 140 ? 2.870 5.960 -11.234 1.00 90.15 140 A 1 ATOM 1103 C C . PHE A 1 140 ? 3.658 7.188 -11.690 1.00 90.78 140 A 1 ATOM 1104 O O . PHE A 1 140 ? 4.846 7.086 -11.998 1.00 89.00 140 A 1 ATOM 1105 C CB . PHE A 1 140 ? 3.262 5.520 -9.820 1.00 90.05 140 A 1 ATOM 1106 C CG . PHE A 1 140 ? 2.515 4.290 -9.338 1.00 91.19 140 A 1 ATOM 1107 C CD1 . PHE A 1 140 ? 1.229 4.419 -8.784 1.00 87.86 140 A 1 ATOM 1108 C CD2 . PHE A 1 140 ? 3.081 3.010 -9.487 1.00 88.40 140 A 1 ATOM 1109 C CE1 . PHE A 1 140 ? 0.514 3.276 -8.381 1.00 86.50 140 A 1 ATOM 1110 C CE2 . PHE A 1 140 ? 2.365 1.866 -9.086 1.00 87.55 140 A 1 ATOM 1111 C CZ . PHE A 1 140 ? 1.080 2.000 -8.533 1.00 89.76 140 A 1 ATOM 1112 N N . THR A 1 141 ? 2.998 8.340 -11.760 1.00 94.38 141 A 1 ATOM 1113 C CA . THR A 1 141 ? 3.650 9.615 -12.075 1.00 94.32 141 A 1 ATOM 1114 C C . THR A 1 141 ? 4.435 10.133 -10.867 1.00 95.00 141 A 1 ATOM 1115 O O . THR A 1 141 ? 4.163 9.756 -9.728 1.00 95.10 141 A 1 ATOM 1116 C CB . THR A 1 141 ? 2.633 10.664 -12.545 1.00 94.38 141 A 1 ATOM 1117 O OG1 . THR A 1 141 ? 1.703 10.933 -11.523 1.00 93.35 141 A 1 ATOM 1118 C CG2 . THR A 1 141 ? 1.843 10.213 -13.775 1.00 91.88 141 A 1 ATOM 1119 N N . GLU A 1 142 ? 5.399 11.032 -11.099 1.00 93.61 142 A 1 ATOM 1120 C CA . GLU A 1 142 ? 6.150 11.674 -10.008 1.00 94.01 142 A 1 ATOM 1121 C C . GLU A 1 142 ? 5.224 12.435 -9.046 1.00 94.74 142 A 1 ATOM 1122 O O . GLU A 1 142 ? 5.384 12.330 -7.831 1.00 94.69 142 A 1 ATOM 1123 C CB . GLU A 1 142 ? 7.219 12.617 -10.581 1.00 93.85 142 A 1 ATOM 1124 C CG . GLU A 1 142 ? 8.320 11.855 -11.342 1.00 86.55 142 A 1 ATOM 1125 C CD . GLU A 1 142 ? 9.444 12.758 -11.883 1.00 80.21 142 A 1 ATOM 1126 O OE1 . GLU A 1 142 ? 10.417 12.184 -12.424 1.00 72.80 142 A 1 ATOM 1127 O OE2 . GLU A 1 142 ? 9.342 13.998 -11.766 1.00 75.41 142 A 1 ATOM 1128 N N . ASP A 1 143 ? 4.205 13.100 -9.587 1.00 95.19 143 A 1 ATOM 1129 C CA . ASP A 1 143 ? 3.205 13.823 -8.791 1.00 95.08 143 A 1 ATOM 1130 C C . ASP A 1 143 ? 2.373 12.878 -7.907 1.00 95.81 143 A 1 ATOM 1131 O O . ASP A 1 143 ? 2.129 13.178 -6.738 1.00 95.42 143 A 1 ATOM 1132 C CB . ASP A 1 143 ? 2.267 14.615 -9.715 1.00 94.85 143 A 1 ATOM 1133 C CG . ASP A 1 143 ? 2.930 15.788 -10.453 1.00 91.92 143 A 1 ATOM 1134 O OD1 . ASP A 1 143 ? 3.951 16.312 -9.958 1.00 88.28 143 A 1 ATOM 1135 O OD2 . ASP A 1 143 ? 2.375 16.178 -11.506 1.00 88.41 143 A 1 ATOM 1136 N N . GLU A 1 144 ? 1.965 11.707 -8.436 1.00 95.65 144 A 1 ATOM 1137 C CA . GLU A 1 144 ? 1.270 10.691 -7.634 1.00 95.49 144 A 1 ATOM 1138 C C . GLU A 1 144 ? 2.168 10.165 -6.513 1.00 96.36 144 A 1 ATOM 1139 O O . GLU A 1 144 ? 1.731 10.078 -5.367 1.00 96.18 144 A 1 ATOM 1140 C CB . GLU A 1 144 ? 0.820 9.506 -8.503 1.00 94.16 144 A 1 ATOM 1141 C CG . GLU A 1 144 ? -0.443 9.784 -9.324 1.00 89.34 144 A 1 ATOM 1142 C CD . GLU A 1 144 ? -0.717 8.607 -10.268 1.00 90.36 144 A 1 ATOM 1143 O OE1 . GLU A 1 144 ? -1.761 7.929 -10.123 1.00 83.41 144 A 1 ATOM 1144 O OE2 . GLU A 1 144 ? 0.144 8.329 -11.138 1.00 85.67 144 A 1 ATOM 1145 N N . ILE A 1 145 ? 3.427 9.837 -6.823 1.00 96.14 145 A 1 ATOM 1146 C CA . ILE A 1 145 ? 4.397 9.344 -5.840 1.00 96.28 145 A 1 ATOM 1147 C C . ILE A 1 145 ? 4.614 10.376 -4.731 1.00 96.80 145 A 1 ATOM 1148 O O . ILE A 1 145 ? 4.617 10.029 -3.547 1.00 96.88 145 A 1 ATOM 1149 C CB . ILE A 1 145 ? 5.721 8.970 -6.546 1.00 96.09 145 A 1 ATOM 1150 C CG1 . ILE A 1 145 ? 5.516 7.698 -7.403 1.00 95.34 145 A 1 ATOM 1151 C CG2 . ILE A 1 145 ? 6.859 8.761 -5.530 1.00 95.57 145 A 1 ATOM 1152 C CD1 . ILE A 1 145 ? 6.691 7.383 -8.334 1.00 93.71 145 A 1 ATOM 1153 N N . GLU A 1 146 ? 4.787 11.644 -5.092 1.00 96.47 146 A 1 ATOM 1154 C CA . GLU A 1 146 ? 4.964 12.717 -4.113 1.00 96.62 146 A 1 ATOM 1155 C C . GLU A 1 146 ? 3.710 12.908 -3.245 1.00 97.05 146 A 1 ATOM 1156 O O . GLU A 1 146 ? 3.810 13.050 -2.026 1.00 96.90 146 A 1 ATOM 1157 C CB . GLU A 1 146 ? 5.375 13.996 -4.858 1.00 96.47 146 A 1 ATOM 1158 C CG . GLU A 1 146 ? 5.753 15.155 -3.931 1.00 89.68 146 A 1 ATOM 1159 C CD . GLU A 1 146 ? 6.876 14.815 -2.933 1.00 91.98 146 A 1 ATOM 1160 O OE1 . GLU A 1 146 ? 6.941 15.475 -1.873 1.00 84.59 146 A 1 ATOM 1161 O OE2 . GLU A 1 146 ? 7.669 13.860 -3.126 1.00 87.14 146 A 1 ATOM 1162 N N . MET A 1 147 ? 2.530 12.805 -3.845 1.00 97.42 147 A 1 ATOM 1163 C CA . MET A 1 147 ? 1.266 12.821 -3.105 1.00 97.15 147 A 1 ATOM 1164 C C . MET A 1 147 ? 1.159 11.633 -2.137 1.00 97.66 147 A 1 ATOM 1165 O O . MET A 1 147 ? 0.808 11.829 -0.974 1.00 97.55 147 A 1 ATOM 1166 C CB . MET A 1 147 ? 0.122 12.855 -4.116 1.00 96.38 147 A 1 ATOM 1167 C CG . MET A 1 147 ? -1.255 12.971 -3.456 1.00 89.69 147 A 1 ATOM 1168 S SD . MET A 1 147 ? -2.645 13.297 -4.583 1.00 86.97 147 A 1 ATOM 1169 C CE . MET A 1 147 ? -2.084 12.593 -6.155 1.00 75.41 147 A 1 ATOM 1170 N N . PHE A 1 148 ? 1.525 10.419 -2.576 1.00 97.53 148 A 1 ATOM 1171 C CA . PHE A 1 148 ? 1.510 9.229 -1.721 1.00 97.72 148 A 1 ATOM 1172 C C . PHE A 1 148 ? 2.488 9.343 -0.546 1.00 97.99 148 A 1 ATOM 1173 O O . PHE A 1 148 ? 2.128 9.003 0.582 1.00 98.01 148 A 1 ATOM 1174 C CB . PHE A 1 148 ? 1.814 7.978 -2.557 1.00 97.57 148 A 1 ATOM 1175 C CG . PHE A 1 148 ? 0.823 7.629 -3.660 1.00 97.56 148 A 1 ATOM 1176 C CD1 . PHE A 1 148 ? -0.492 8.138 -3.675 1.00 96.90 148 A 1 ATOM 1177 C CD2 . PHE A 1 148 ? 1.228 6.742 -4.682 1.00 96.74 148 A 1 ATOM 1178 C CE1 . PHE A 1 148 ? -1.386 7.777 -4.701 1.00 96.41 148 A 1 ATOM 1179 C CE2 . PHE A 1 148 ? 0.334 6.376 -5.703 1.00 96.25 148 A 1 ATOM 1180 C CZ . PHE A 1 148 ? -0.974 6.895 -5.714 1.00 96.51 148 A 1 ATOM 1181 N N . LYS A 1 149 ? 3.690 9.890 -0.772 1.00 97.60 149 A 1 ATOM 1182 C CA . LYS A 1 149 ? 4.666 10.151 0.296 1.00 97.84 149 A 1 ATOM 1183 C C . LYS A 1 149 ? 4.147 11.134 1.346 1.00 98.09 149 A 1 ATOM 1184 O O . LYS A 1 149 ? 4.530 11.029 2.510 1.00 98.00 149 A 1 ATOM 1185 C CB . LYS A 1 149 ? 5.963 10.688 -0.316 1.00 97.79 149 A 1 ATOM 1186 C CG . LYS A 1 149 ? 6.777 9.594 -1.010 1.00 97.00 149 A 1 ATOM 1187 C CD . LYS A 1 149 ? 7.972 10.221 -1.734 1.00 95.60 149 A 1 ATOM 1188 C CE . LYS A 1 149 ? 8.793 9.128 -2.416 1.00 92.37 149 A 1 ATOM 1189 N NZ . LYS A 1 149 ? 9.876 9.709 -3.240 1.00 86.74 149 A 1 ATOM 1190 N N . ASN A 1 150 ? 3.278 12.055 0.944 1.00 97.90 150 A 1 ATOM 1191 C CA . ASN A 1 150 ? 2.698 13.073 1.819 1.00 97.54 150 A 1 ATOM 1192 C C . ASN A 1 150 ? 1.418 12.622 2.545 1.00 97.41 150 A 1 ATOM 1193 O O . ASN A 1 150 ? 0.928 13.364 3.400 1.00 96.66 150 A 1 ATOM 1194 C CB . ASN A 1 150 ? 2.513 14.365 1.007 1.00 97.29 150 A 1 ATOM 1195 C CG . ASN A 1 150 ? 3.847 15.004 0.649 1.00 94.73 150 A 1 ATOM 1196 O OD1 . ASN A 1 150 ? 4.778 15.034 1.438 1.00 87.02 150 A 1 ATOM 1197 N ND2 . ASN A 1 150 ? 3.987 15.517 -0.545 1.00 85.91 150 A 1 ATOM 1198 N N . VAL A 1 151 ? 0.898 11.416 2.272 1.00 97.83 151 A 1 ATOM 1199 C CA . VAL A 1 151 ? -0.216 10.842 3.046 1.00 98.01 151 A 1 ATOM 1200 C C . VAL A 1 151 ? 0.172 10.816 4.518 1.00 98.13 151 A 1 ATOM 1201 O O . VAL A 1 151 ? 1.237 10.316 4.885 1.00 98.02 151 A 1 ATOM 1202 C CB . VAL A 1 151 ? -0.625 9.443 2.559 1.00 98.13 151 A 1 ATOM 1203 C CG1 . VAL A 1 151 ? -1.688 8.802 3.462 1.00 97.56 151 A 1 ATOM 1204 C CG2 . VAL A 1 151 ? -1.197 9.522 1.141 1.00 97.09 151 A 1 ATOM 1205 N N . THR A 1 152 ? -0.689 11.384 5.349 1.00 97.55 152 A 1 ATOM 1206 C CA . THR A 1 152 ? -0.396 11.645 6.759 1.00 96.83 152 A 1 ATOM 1207 C C . THR A 1 152 ? -1.382 10.917 7.660 1.00 96.64 152 A 1 ATOM 1208 O O . THR A 1 152 ? -2.593 11.126 7.563 1.00 96.18 152 A 1 ATOM 1209 C CB . THR A 1 152 ? -0.415 13.151 7.055 1.00 96.12 152 A 1 ATOM 1210 O OG1 . THR A 1 152 ? 0.512 13.845 6.260 1.00 93.65 152 A 1 ATOM 1211 C CG2 . THR A 1 152 ? -0.036 13.446 8.507 1.00 93.80 152 A 1 ATOM 1212 N N . PHE A 1 153 ? -0.857 10.104 8.568 1.00 97.40 153 A 1 ATOM 1213 C CA . PHE A 1 153 ? -1.597 9.439 9.635 1.00 97.39 153 A 1 ATOM 1214 C C . PHE A 1 153 ? -1.572 10.319 10.882 1.00 96.77 153 A 1 ATOM 1215 O O . PHE A 1 153 ? -0.508 10.788 11.288 1.00 96.14 153 A 1 ATOM 1216 C CB . PHE A 1 153 ? -0.987 8.064 9.915 1.00 97.71 153 A 1 ATOM 1217 C CG . PHE A 1 153 ? -0.880 7.183 8.686 1.00 98.03 153 A 1 ATOM 1218 C CD1 . PHE A 1 153 ? -1.956 6.361 8.311 1.00 97.41 153 A 1 ATOM 1219 C CD2 . PHE A 1 153 ? 0.286 7.211 7.895 1.00 97.49 153 A 1 ATOM 1220 C CE1 . PHE A 1 153 ? -1.871 5.575 7.151 1.00 97.22 153 A 1 ATOM 1221 C CE2 . PHE A 1 153 ? 0.367 6.427 6.731 1.00 97.21 153 A 1 ATOM 1222 C CZ . PHE A 1 153 ? -0.714 5.609 6.359 1.00 97.62 153 A 1 ATOM 1223 N N . ILE A 1 154 ? -2.740 10.538 11.477 1.00 95.57 154 A 1 ATOM 1224 C CA . ILE A 1 154 ? -2.906 11.355 12.680 1.00 94.55 154 A 1 ATOM 1225 C C . ILE A 1 154 ? -3.740 10.552 13.676 1.00 94.29 154 A 1 ATOM 1226 O O . ILE A 1 154 ? -4.872 10.181 13.365 1.00 93.47 154 A 1 ATOM 1227 C CB . ILE A 1 154 ? -3.567 12.719 12.352 1.00 93.95 154 A 1 ATOM 1228 C CG1 . ILE A 1 154 ? -2.759 13.496 11.279 1.00 93.03 154 A 1 ATOM 1229 C CG2 . ILE A 1 154 ? -3.712 13.562 13.633 1.00 92.99 154 A 1 ATOM 1230 C CD1 . ILE A 1 154 ? -3.443 14.766 10.759 1.00 90.58 154 A 1 ATOM 1231 N N . ASP A 1 155 ? -3.190 10.319 14.866 1.00 94.12 155 A 1 ATOM 1232 C CA . ASP A 1 155 ? -3.891 9.697 15.988 1.00 93.18 155 A 1 ATOM 1233 C C . ASP A 1 155 ? -3.514 10.450 17.270 1.00 91.74 155 A 1 ATOM 1234 O O . ASP A 1 155 ? -2.387 10.345 17.757 1.00 88.89 155 A 1 ATOM 1235 C CB . ASP A 1 155 ? -3.566 8.196 16.065 1.00 92.91 155 A 1 ATOM 1236 C CG . ASP A 1 155 ? -4.464 7.441 17.054 1.00 92.43 155 A 1 ATOM 1237 O OD1 . ASP A 1 155 ? -5.356 8.077 17.669 1.00 90.50 155 A 1 ATOM 1238 O OD2 . ASP A 1 155 ? -4.308 6.202 17.141 1.00 90.13 155 A 1 ATOM 1239 N N . LYS A 1 156 ? -4.442 11.254 17.783 1.00 90.41 156 A 1 ATOM 1240 C CA . LYS A 1 156 ? -4.209 12.185 18.902 1.00 89.18 156 A 1 ATOM 1241 C C . LYS A 1 156 ? -2.986 13.075 18.635 1.00 89.65 156 A 1 ATOM 1242 O O . LYS A 1 156 ? -3.003 13.846 17.675 1.00 87.41 156 A 1 ATOM 1243 C CB . LYS A 1 156 ? -4.134 11.401 20.225 1.00 87.97 156 A 1 ATOM 1244 C CG . LYS A 1 156 ? -5.389 10.561 20.489 1.00 85.16 156 A 1 ATOM 1245 C CD . LYS A 1 156 ? -5.162 9.689 21.719 1.00 80.05 156 A 1 ATOM 1246 C CE . LYS A 1 156 ? -6.392 8.809 21.919 1.00 77.47 156 A 1 ATOM 1247 N NZ . LYS A 1 156 ? -6.163 7.846 23.014 1.00 68.19 156 A 1 ATOM 1248 N N . ASP A 1 157 ? -1.948 12.957 19.447 1.00 88.71 157 A 1 ATOM 1249 C CA . ASP A 1 157 ? -0.701 13.730 19.350 1.00 88.86 157 A 1 ATOM 1250 C C . ASP A 1 157 ? 0.312 13.123 18.361 1.00 90.36 157 A 1 ATOM 1251 O O . ASP A 1 157 ? 1.306 13.765 18.017 1.00 88.66 157 A 1 ATOM 1252 C CB . ASP A 1 157 ? -0.090 13.879 20.752 1.00 87.63 157 A 1 ATOM 1253 C CG . ASP A 1 157 ? -1.034 14.563 21.747 1.00 84.83 157 A 1 ATOM 1254 O OD1 . ASP A 1 157 ? -1.626 15.603 21.381 1.00 81.74 157 A 1 ATOM 1255 O OD2 . ASP A 1 157 ? -1.169 14.036 22.875 1.00 81.56 157 A 1 ATOM 1256 N N . GLU A 1 158 ? 0.074 11.895 17.886 1.00 91.29 158 A 1 ATOM 1257 C CA . GLU A 1 158 ? 0.946 11.237 16.918 1.00 92.01 158 A 1 ATOM 1258 C C . GLU A 1 158 ? 0.602 11.671 15.495 1.00 93.56 158 A 1 ATOM 1259 O O . GLU A 1 158 ? -0.551 11.629 15.055 1.00 93.03 158 A 1 ATOM 1260 C CB . GLU A 1 158 ? 0.904 9.708 17.051 1.00 90.07 158 A 1 ATOM 1261 C CG . GLU A 1 158 ? 1.413 9.217 18.416 1.00 78.06 158 A 1 ATOM 1262 C CD . GLU A 1 158 ? 1.565 7.685 18.488 1.00 74.75 158 A 1 ATOM 1263 O OE1 . GLU A 1 158 ? 2.113 7.216 19.509 1.00 67.31 158 A 1 ATOM 1264 O OE2 . GLU A 1 158 ? 1.188 6.989 17.514 1.00 68.54 158 A 1 ATOM 1265 N N . LYS A 1 159 ? 1.645 12.076 14.756 1.00 95.03 159 A 1 ATOM 1266 C CA . LYS A 1 159 ? 1.540 12.436 13.343 1.00 95.66 159 A 1 ATOM 1267 C C . LYS A 1 159 ? 2.745 11.879 12.598 1.00 96.64 159 A 1 ATOM 1268 O O . LYS A 1 159 ? 3.871 12.191 12.962 1.00 96.14 159 A 1 ATOM 1269 C CB . LYS A 1 159 ? 1.423 13.961 13.213 1.00 94.19 159 A 1 ATOM 1270 C CG . LYS A 1 159 ? 1.286 14.389 11.745 1.00 91.10 159 A 1 ATOM 1271 C CD . LYS A 1 159 ? 1.148 15.907 11.608 1.00 89.38 159 A 1 ATOM 1272 C CE . LYS A 1 159 ? 1.047 16.232 10.118 1.00 82.54 159 A 1 ATOM 1273 N NZ . LYS A 1 159 ? 0.994 17.687 9.857 1.00 76.84 159 A 1 ATOM 1274 N N . ILE A 1 160 ? 2.496 11.091 11.552 1.00 96.34 160 A 1 ATOM 1275 C CA . ILE A 1 160 ? 3.555 10.501 10.725 1.00 97.26 160 A 1 ATOM 1276 C C . ILE A 1 160 ? 3.114 10.439 9.261 1.00 97.68 160 A 1 ATOM 1277 O O . ILE A 1 160 ? 1.957 10.152 8.957 1.00 97.61 160 A 1 ATOM 1278 C CB . ILE A 1 160 ? 3.981 9.129 11.291 1.00 97.26 160 A 1 ATOM 1279 C CG1 . ILE A 1 160 ? 5.272 8.642 10.599 1.00 95.66 160 A 1 ATOM 1280 C CG2 . ILE A 1 160 ? 2.853 8.082 11.206 1.00 95.15 160 A 1 ATOM 1281 C CD1 . ILE A 1 160 ? 5.937 7.447 11.291 1.00 93.64 160 A 1 ATOM 1282 N N . THR A 1 161 ? 4.044 10.719 8.349 1.00 97.26 161 A 1 ATOM 1283 C CA . THR A 1 161 ? 3.839 10.620 6.900 1.00 97.66 161 A 1 ATOM 1284 C C . THR A 1 161 ? 4.309 9.269 6.364 1.00 97.93 161 A 1 ATOM 1285 O O . THR A 1 161 ? 5.130 8.580 6.974 1.00 98.00 161 A 1 ATOM 1286 C CB . THR A 1 161 ? 4.553 11.758 6.155 1.00 97.74 161 A 1 ATOM 1287 O OG1 . THR A 1 161 ? 5.940 11.681 6.376 1.00 96.23 161 A 1 ATOM 1288 C CG2 . THR A 1 161 ? 4.076 13.144 6.581 1.00 95.80 161 A 1 ATOM 1289 N N . VAL A 1 162 ? 3.836 8.894 5.171 1.00 97.91 162 A 1 ATOM 1290 C CA . VAL A 1 162 ? 4.375 7.723 4.454 1.00 97.88 162 A 1 ATOM 1291 C C . VAL A 1 162 ? 5.873 7.878 4.194 1.00 97.94 162 A 1 ATOM 1292 O O . VAL A 1 162 ? 6.603 6.902 4.320 1.00 97.87 162 A 1 ATOM 1293 C CB . VAL A 1 162 ? 3.621 7.474 3.137 1.00 97.84 162 A 1 ATOM 1294 C CG1 . VAL A 1 162 ? 4.267 6.390 2.265 1.00 96.58 162 A 1 ATOM 1295 C CG2 . VAL A 1 162 ? 2.188 7.026 3.432 1.00 96.27 162 A 1 ATOM 1296 N N . ARG A 1 163 ? 6.354 9.083 3.884 1.00 98.23 163 A 1 ATOM 1297 C CA . ARG A 1 163 ? 7.786 9.374 3.706 1.00 97.83 163 A 1 ATOM 1298 C C . ARG A 1 163 ? 8.603 8.953 4.927 1.00 97.71 163 A 1 ATOM 1299 O O . ARG A 1 163 ? 9.537 8.170 4.781 1.00 97.36 163 A 1 ATOM 1300 C CB . ARG A 1 163 ? 7.975 10.864 3.394 1.00 97.57 163 A 1 ATOM 1301 C CG . ARG A 1 163 ? 9.436 11.218 3.108 1.00 95.60 163 A 1 ATOM 1302 C CD . ARG A 1 163 ? 9.616 12.721 2.880 1.00 94.63 163 A 1 ATOM 1303 N NE . ARG A 1 163 ? 8.752 13.218 1.795 1.00 93.39 163 A 1 ATOM 1304 C CZ . ARG A 1 163 ? 8.978 13.188 0.496 1.00 91.66 163 A 1 ATOM 1305 N NH1 . ARG A 1 163 ? 10.082 12.749 -0.032 1.00 83.66 163 A 1 ATOM 1306 N NH2 . ARG A 1 163 ? 8.060 13.616 -0.308 1.00 85.94 163 A 1 ATOM 1307 N N . GLU A 1 164 ? 8.212 9.403 6.108 1.00 97.52 164 A 1 ATOM 1308 C CA . GLU A 1 164 ? 8.895 9.064 7.363 1.00 97.26 164 A 1 ATOM 1309 C C . GLU A 1 164 ? 8.830 7.560 7.665 1.00 97.14 164 A 1 ATOM 1310 O O . GLU A 1 164 ? 9.805 6.983 8.139 1.00 96.65 164 A 1 ATOM 1311 C CB . GLU A 1 164 ? 8.253 9.853 8.509 1.00 97.53 164 A 1 ATOM 1312 C CG . GLU A 1 164 ? 8.535 11.366 8.440 1.00 96.10 164 A 1 ATOM 1313 C CD . GLU A 1 164 ? 7.532 12.193 9.260 1.00 95.92 164 A 1 ATOM 1314 O OE1 . GLU A 1 164 ? 7.942 13.157 9.929 1.00 88.85 164 A 1 ATOM 1315 O OE2 . GLU A 1 164 ? 6.317 11.901 9.132 1.00 90.42 164 A 1 ATOM 1316 N N . ILE A 1 165 ? 7.713 6.888 7.348 1.00 97.33 165 A 1 ATOM 1317 C CA . ILE A 1 165 ? 7.592 5.427 7.493 1.00 96.69 165 A 1 ATOM 1318 C C . ILE A 1 165 ? 8.596 4.705 6.582 1.00 96.13 165 A 1 ATOM 1319 O O . ILE A 1 165 ? 9.256 3.768 7.022 1.00 95.54 165 A 1 ATOM 1320 C CB . ILE A 1 165 ? 6.139 4.969 7.216 1.00 97.19 165 A 1 ATOM 1321 C CG1 . ILE A 1 165 ? 5.185 5.502 8.312 1.00 96.83 165 A 1 ATOM 1322 C CG2 . ILE A 1 165 ? 6.035 3.432 7.142 1.00 96.78 165 A 1 ATOM 1323 C CD1 . ILE A 1 165 ? 3.700 5.406 7.942 1.00 95.97 165 A 1 ATOM 1324 N N . LEU A 1 166 ? 8.728 5.134 5.322 1.00 96.98 166 A 1 ATOM 1325 C CA . LEU A 1 166 ? 9.674 4.542 4.372 1.00 96.00 166 A 1 ATOM 1326 C C . LEU A 1 166 ? 11.131 4.756 4.808 1.00 95.24 166 A 1 ATOM 1327 O O . LEU A 1 166 ? 11.931 3.827 4.709 1.00 94.57 166 A 1 ATOM 1328 C CB . LEU A 1 166 ? 9.436 5.126 2.969 1.00 96.12 166 A 1 ATOM 1329 C CG . LEU A 1 166 ? 8.098 4.735 2.312 1.00 95.24 166 A 1 ATOM 1330 C CD1 . LEU A 1 166 ? 7.929 5.504 1.003 1.00 93.75 166 A 1 ATOM 1331 C CD2 . LEU A 1 166 ? 8.014 3.243 2.002 1.00 93.89 166 A 1 ATOM 1332 N N . GLU A 1 167 ? 11.474 5.937 5.312 1.00 95.57 167 A 1 ATOM 1333 C CA . GLU A 1 167 ? 12.807 6.246 5.849 1.00 94.59 167 A 1 ATOM 1334 C C . GLU A 1 167 ? 13.152 5.346 7.048 1.00 93.44 167 A 1 ATOM 1335 O O . GLU A 1 167 ? 14.204 4.705 7.060 1.00 91.93 167 A 1 ATOM 1336 C CB . GLU A 1 167 ? 12.871 7.740 6.215 1.00 95.16 167 A 1 ATOM 1337 C CG . GLU A 1 167 ? 12.897 8.641 4.963 1.00 92.46 167 A 1 ATOM 1338 C CD . GLU A 1 167 ? 12.641 10.140 5.232 1.00 91.67 167 A 1 ATOM 1339 O OE1 . GLU A 1 167 ? 12.610 10.901 4.230 1.00 86.55 167 A 1 ATOM 1340 O OE2 . GLU A 1 167 ? 12.423 10.529 6.400 1.00 89.20 167 A 1 ATOM 1341 N N . GLN A 1 168 ? 12.226 5.180 7.988 1.00 94.84 168 A 1 ATOM 1342 C CA . GLN A 1 168 ? 12.404 4.293 9.146 1.00 93.26 168 A 1 ATOM 1343 C C . GLN A 1 168 ? 12.626 2.823 8.753 1.00 92.27 168 A 1 ATOM 1344 O O . GLN A 1 168 ? 13.436 2.128 9.371 1.00 90.27 168 A 1 ATOM 1345 C CB . GLN A 1 168 ? 11.170 4.394 10.058 1.00 93.61 168 A 1 ATOM 1346 C CG . GLN A 1 168 ? 11.115 5.725 10.826 1.00 92.00 168 A 1 ATOM 1347 C CD . GLN A 1 168 ? 9.800 5.931 11.574 1.00 91.10 168 A 1 ATOM 1348 O OE1 . GLN A 1 168 ? 8.973 5.048 11.763 1.00 88.39 168 A 1 ATOM 1349 N NE2 . GLN A 1 168 ? 9.560 7.130 12.059 1.00 86.34 168 A 1 ATOM 1350 N N . GLU A 1 169 ? 11.924 2.325 7.726 1.00 91.45 169 A 1 ATOM 1351 C CA . GLU A 1 169 ? 12.115 0.953 7.235 1.00 88.63 169 A 1 ATOM 1352 C C . GLU A 1 169 ? 13.427 0.769 6.451 1.00 87.20 169 A 1 ATOM 1353 O O . GLU A 1 169 ? 13.957 -0.347 6.385 1.00 84.11 169 A 1 ATOM 1354 C CB . GLU A 1 169 ? 10.913 0.534 6.374 1.00 88.05 169 A 1 ATOM 1355 C CG . GLU A 1 169 ? 9.643 0.254 7.195 1.00 79.34 169 A 1 ATOM 1356 C CD . GLU A 1 169 ? 9.747 -0.969 8.127 1.00 77.76 169 A 1 ATOM 1357 O OE1 . GLU A 1 169 ? 9.071 -0.963 9.182 1.00 70.86 169 A 1 ATOM 1358 O OE2 . GLU A 1 169 ? 10.470 -1.935 7.774 1.00 72.04 169 A 1 ATOM 1359 N N . GLN A 1 170 ? 13.966 1.829 5.844 1.00 90.62 170 A 1 ATOM 1360 C CA . GLN A 1 170 ? 15.286 1.799 5.212 1.00 88.58 170 A 1 ATOM 1361 C C . GLN A 1 170 ? 16.412 1.716 6.246 1.00 87.91 170 A 1 ATOM 1362 O O . GLN A 1 170 ? 17.326 0.906 6.058 1.00 85.38 170 A 1 ATOM 1363 C CB . GLN A 1 170 ? 15.462 3.007 4.284 1.00 88.31 170 A 1 ATOM 1364 C CG . GLN A 1 170 ? 14.643 2.844 2.996 1.00 80.67 170 A 1 ATOM 1365 C CD . GLN A 1 170 ? 14.712 4.055 2.073 1.00 74.40 170 A 1 ATOM 1366 O OE1 . GLN A 1 170 ? 15.497 4.976 2.216 1.00 70.08 170 A 1 ATOM 1367 N NE2 . GLN A 1 170 ? 13.902 4.084 1.035 1.00 66.70 170 A 1 ATOM 1368 N N . ASP A 1 171 ? 16.303 2.454 7.340 1.00 88.14 171 A 1 ATOM 1369 C CA . ASP A 1 171 ? 17.297 2.492 8.422 1.00 87.61 171 A 1 ATOM 1370 C C . ASP A 1 171 ? 17.315 1.209 9.279 1.00 85.51 171 A 1 ATOM 1371 O O . ASP A 1 171 ? 18.338 0.860 9.870 1.00 80.89 171 A 1 ATOM 1372 C CB . ASP A 1 171 ? 17.027 3.720 9.308 1.00 87.53 171 A 1 ATOM 1373 C CG . ASP A 1 171 ? 17.363 5.064 8.648 1.00 84.45 171 A 1 ATOM 1374 O OD1 . ASP A 1 171 ? 18.092 5.073 7.628 1.00 81.16 171 A 1 ATOM 1375 O OD2 . ASP A 1 171 ? 16.935 6.093 9.220 1.00 81.91 171 A 1 ATOM 1376 N N . ASN A 1 172 ? 16.202 0.481 9.335 1.00 86.00 172 A 1 ATOM 1377 C CA . ASN A 1 172 ? 16.047 -0.724 10.158 1.00 83.28 172 A 1 ATOM 1378 C C . ASN A 1 172 ? 16.476 -2.040 9.475 1.00 79.99 172 A 1 ATOM 1379 O O . ASN A 1 172 ? 16.221 -3.122 10.026 1.00 74.80 172 A 1 ATOM 1380 C CB . ASN A 1 172 ? 14.601 -0.778 10.683 1.00 82.27 172 A 1 ATOM 1381 C CG . ASN A 1 172 ? 14.330 0.205 11.812 1.00 79.19 172 A 1 ATOM 1382 O OD1 . ASN A 1 172 ? 15.123 0.404 12.718 1.00 73.30 172 A 1 ATOM 1383 N ND2 . ASN A 1 172 ? 13.165 0.808 11.836 1.00 72.78 172 A 1 ATOM 1384 N N . GLY A 1 173 ? 17.095 -1.982 8.292 1.00 80.86 173 A 1 ATOM 1385 C CA . GLY A 1 173 ? 17.468 -3.211 7.558 1.00 76.86 173 A 1 ATOM 1386 C C . GLY A 1 173 ? 18.643 -3.088 6.600 1.00 71.53 173 A 1 ATOM 1387 O O . GLY A 1 173 ? 19.088 -4.167 6.140 1.00 64.39 173 A 1 ATOM 1388 O OXT . GLY A 1 173 ? 19.098 -1.968 6.347 1.00 68.56 173 A 1 #