# 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_vcrx091 # _entry.id vcrx091 # 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 SER 2 1 n LYS 3 1 n GLY 4 1 n VAL 5 1 n ASN 6 1 n LYS 7 1 n VAL 8 1 n ILE 9 1 n LEU 10 1 n VAL 11 1 n GLY 12 1 n ASN 13 1 n LEU 14 1 n GLY 15 1 n SER 16 1 n ASP 17 1 n PRO 18 1 n GLU 19 1 n ILE 20 1 n ARG 21 1 n TYR 22 1 n MET 23 1 n PRO 24 1 n SER 25 1 n GLY 26 1 n THR 27 1 n ALA 28 1 n VAL 29 1 n ALA 30 1 n ASN 31 1 n PHE 32 1 n ASN 33 1 n VAL 34 1 n ALA 35 1 n THR 36 1 n THR 37 1 n ASP 38 1 n THR 39 1 n TRP 40 1 n ARG 41 1 n ASP 42 1 n LYS 43 1 n GLN 44 1 n SER 45 1 n GLY 46 1 n GLU 47 1 n GLN 48 1 n ARG 49 1 n GLU 50 1 n HIS 51 1 n THR 52 1 n GLU 53 1 n TRP 54 1 n HIS 55 1 n ARG 56 1 n VAL 57 1 n VAL 58 1 n LEU 59 1 n LYS 60 1 n GLY 61 1 n ARG 62 1 n LEU 63 1 n ALA 64 1 n GLU 65 1 n VAL 66 1 n ALA 67 1 n GLY 68 1 n GLU 69 1 n TYR 70 1 n LEU 71 1 n LYS 72 1 n LYS 73 1 n GLY 74 1 n SER 75 1 n GLN 76 1 n VAL 77 1 n TYR 78 1 n LEU 79 1 n GLU 80 1 n GLY 81 1 n SER 82 1 n ASN 83 1 n ARG 84 1 n THR 85 1 n ARG 86 1 n LYS 87 1 n TRP 88 1 n THR 89 1 n ASP 90 1 n ASN 91 1 n GLN 92 1 n GLN 93 1 n ILE 94 1 n GLU 95 1 n ARG 96 1 n TYR 97 1 n THR 98 1 n THR 99 1 n GLU 100 1 n VAL 101 1 n HIS 102 1 n CYS 103 1 n PHE 104 1 n GLU 105 1 n MET 106 1 n GLN 107 1 n MET 108 1 n LEU 109 1 n GLY 110 1 n GLY 111 1 n ARG 112 1 n GLY 113 1 n ASN 114 1 n ALA 115 1 n PRO 116 1 n GLN 117 1 n ASP 118 1 n ASN 119 1 n SER 120 1 n GLN 121 1 n ARG 122 1 n ALA 123 1 n ALA 124 1 n PRO 125 1 n GLN 126 1 n GLN 127 1 n GLY 128 1 n GLN 129 1 n ARG 130 1 n THR 131 1 n GLY 132 1 n ALA 133 1 n GLY 134 1 n THR 135 1 n GLN 136 1 n SER 137 1 n ALA 138 1 n PRO 139 1 n VAL 140 1 n GLN 141 1 n GLN 142 1 n SER 143 1 n ALA 144 1 n PRO 145 1 n GLN 146 1 n GLY 147 1 n GLY 148 1 n MET 149 1 n GLY 150 1 n GLY 151 1 n GLY 152 1 n TYR 153 1 n GLY 154 1 n PRO 155 1 n ALA 156 1 n PRO 157 1 n ASP 158 1 n GLY 159 1 n TRP 160 1 n ASP 161 1 n ASP 162 1 n ASP 163 1 n ILE 164 1 n PRO 165 1 n PHE 166 1 n MET 167 1 n ARG 168 1 n LEU 169 1 n HIS 170 1 n HIS 171 1 n LEU 172 1 n ALA 173 1 n GLY 174 1 n GLY 175 # _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 01:28:56)" _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 73.54 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 65.88 1 1 A SER 2 2 75.60 1 2 A LYS 3 2 75.03 1 3 A GLY 4 2 93.16 1 4 A VAL 5 2 94.81 1 5 A ASN 6 2 97.14 1 6 A LYS 7 2 92.13 1 7 A VAL 8 2 98.14 1 8 A ILE 9 2 97.64 1 9 A LEU 10 2 97.90 1 10 A VAL 11 2 96.75 1 11 A GLY 12 2 96.91 1 12 A ASN 13 2 93.33 1 13 A LEU 14 2 96.24 1 14 A GLY 15 2 96.50 1 15 A SER 16 2 95.50 1 16 A ASP 17 2 95.50 1 17 A PRO 18 2 97.51 1 18 A GLU 19 2 90.30 1 19 A ILE 20 2 94.85 1 20 A ARG 21 2 83.68 1 21 A TYR 22 2 96.31 1 22 A MET 23 2 92.24 1 23 A PRO 24 2 96.86 1 24 A SER 25 2 95.85 1 25 A GLY 26 2 97.20 1 26 A THR 27 2 96.14 1 27 A ALA 28 2 98.11 1 28 A VAL 29 2 97.83 1 29 A ALA 30 2 98.40 1 30 A ASN 31 2 93.90 1 31 A PHE 32 2 98.09 1 32 A ASN 33 2 92.41 1 33 A VAL 34 2 97.99 1 34 A ALA 35 2 97.56 1 35 A THR 36 2 96.96 1 36 A THR 37 2 92.93 1 37 A ASP 38 2 87.19 1 38 A THR 39 2 87.97 1 39 A TRP 40 2 87.80 1 40 A ARG 41 2 78.03 1 41 A ASP 42 2 86.21 1 42 A LYS 43 2 82.39 1 43 A GLN 44 2 84.00 1 44 A SER 45 2 90.00 1 45 A GLY 46 2 91.33 1 46 A GLU 47 2 81.79 1 47 A GLN 48 2 82.78 1 48 A ARG 49 2 82.19 1 49 A GLU 50 2 86.72 1 50 A HIS 51 2 88.99 1 51 A THR 52 2 95.80 1 52 A GLU 53 2 92.72 1 53 A TRP 54 2 97.05 1 54 A HIS 55 2 97.37 1 55 A ARG 56 2 86.44 1 56 A VAL 57 2 98.37 1 57 A VAL 58 2 98.08 1 58 A LEU 59 2 97.58 1 59 A LYS 60 2 90.60 1 60 A GLY 61 2 97.76 1 61 A ARG 62 2 81.04 1 62 A LEU 63 2 95.41 1 63 A ALA 64 2 98.26 1 64 A GLU 65 2 95.02 1 65 A VAL 66 2 96.83 1 66 A ALA 67 2 97.32 1 67 A GLY 68 2 96.99 1 68 A GLU 69 2 87.52 1 69 A TYR 70 2 92.81 1 70 A LEU 71 2 95.81 1 71 A LYS 72 2 85.05 1 72 A LYS 73 2 91.98 1 73 A GLY 74 2 94.66 1 74 A SER 75 2 94.81 1 75 A GLN 76 2 92.83 1 76 A VAL 77 2 97.16 1 77 A TYR 78 2 97.41 1 78 A LEU 79 2 97.90 1 79 A GLU 80 2 95.44 1 80 A GLY 81 2 98.38 1 81 A SER 82 2 97.40 1 82 A ASN 83 2 93.60 1 83 A ARG 84 2 86.67 1 84 A THR 85 2 95.75 1 85 A ARG 86 2 83.98 1 86 A LYS 87 2 89.64 1 87 A TRP 88 2 91.84 1 88 A THR 89 2 93.62 1 89 A ASP 90 2 91.71 1 90 A ASN 91 2 89.68 1 91 A GLN 92 2 89.31 1 92 A GLN 93 2 90.48 1 93 A ILE 94 2 93.77 1 94 A GLU 95 2 87.64 1 95 A ARG 96 2 88.67 1 96 A TYR 97 2 91.17 1 97 A THR 98 2 93.93 1 98 A THR 99 2 95.60 1 99 A GLU 100 2 93.64 1 100 A VAL 101 2 98.05 1 101 A HIS 102 2 94.83 1 102 A CYS 103 2 96.78 1 103 A PHE 104 2 92.60 1 104 A GLU 105 2 90.31 1 105 A MET 106 2 96.45 1 106 A GLN 107 2 89.59 1 107 A MET 108 2 91.24 1 108 A LEU 109 2 90.57 1 109 A GLY 110 2 76.59 1 110 A GLY 111 2 59.81 1 111 A ARG 112 2 40.40 1 112 A GLY 113 2 46.79 1 113 A ASN 114 2 38.16 1 114 A ALA 115 2 39.42 1 115 A PRO 116 2 34.42 1 116 A GLN 117 2 37.15 1 117 A ASP 118 2 34.79 1 118 A ASN 119 2 35.69 1 119 A SER 120 2 41.94 1 120 A GLN 121 2 57.02 1 121 A ARG 122 2 46.36 1 122 A ALA 123 2 50.01 1 123 A ALA 124 2 50.98 1 124 A PRO 125 2 44.93 1 125 A GLN 126 2 50.74 1 126 A GLN 127 2 42.49 1 127 A GLY 128 2 43.17 1 128 A GLN 129 2 40.35 1 129 A ARG 130 2 31.97 1 130 A THR 131 2 31.26 1 131 A GLY 132 2 36.45 1 132 A ALA 133 2 35.45 1 133 A GLY 134 2 36.16 1 134 A THR 135 2 25.38 1 135 A GLN 136 2 28.62 1 136 A SER 137 2 27.23 1 137 A ALA 138 2 30.91 1 138 A PRO 139 2 29.92 1 139 A VAL 140 2 27.48 1 140 A GLN 141 2 25.86 1 141 A GLN 142 2 25.75 1 142 A SER 143 2 26.34 1 143 A ALA 144 2 30.04 1 144 A PRO 145 2 25.89 1 145 A GLN 146 2 24.89 1 146 A GLY 147 2 27.65 1 147 A GLY 148 2 26.03 1 148 A MET 149 2 28.66 1 149 A GLY 150 2 28.05 1 150 A GLY 151 2 30.36 1 151 A GLY 152 2 30.41 1 152 A TYR 153 2 36.02 1 153 A GLY 154 2 32.24 1 154 A PRO 155 2 43.34 1 155 A ALA 156 2 37.96 1 156 A PRO 157 2 40.60 1 157 A ASP 158 2 51.33 1 158 A GLY 159 2 46.59 1 159 A TRP 160 2 45.95 1 160 A ASP 161 2 50.99 1 161 A ASP 162 2 53.49 1 162 A ASP 163 2 58.24 1 163 A ILE 164 2 50.39 1 164 A PRO 165 2 46.97 1 165 A PHE 166 2 42.72 1 166 A MET 167 2 43.58 1 167 A ARG 168 2 37.15 1 168 A LEU 169 2 42.31 1 169 A HIS 170 2 44.30 1 170 A HIS 171 2 42.50 1 171 A LEU 172 2 40.55 1 172 A ALA 173 2 41.10 1 173 A GLY 174 2 34.48 1 174 A GLY 175 2 20.06 1 175 # _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 SER . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ASN . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n PRO . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n ARG . 21 A 21 A 22 1 n TYR . 22 A 22 A 23 1 n MET . 23 A 23 A 24 1 n PRO . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n GLY . 26 A 26 A 27 1 n THR . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n VAL . 29 A 29 A 30 1 n ALA . 30 A 30 A 31 1 n ASN . 31 A 31 A 32 1 n PHE . 32 A 32 A 33 1 n ASN . 33 A 33 A 34 1 n VAL . 34 A 34 A 35 1 n ALA . 35 A 35 A 36 1 n THR . 36 A 36 A 37 1 n THR . 37 A 37 A 38 1 n ASP . 38 A 38 A 39 1 n THR . 39 A 39 A 40 1 n TRP . 40 A 40 A 41 1 n ARG . 41 A 41 A 42 1 n ASP . 42 A 42 A 43 1 n LYS . 43 A 43 A 44 1 n GLN . 44 A 44 A 45 1 n SER . 45 A 45 A 46 1 n GLY . 46 A 46 A 47 1 n GLU . 47 A 47 A 48 1 n GLN . 48 A 48 A 49 1 n ARG . 49 A 49 A 50 1 n GLU . 50 A 50 A 51 1 n HIS . 51 A 51 A 52 1 n THR . 52 A 52 A 53 1 n GLU . 53 A 53 A 54 1 n TRP . 54 A 54 A 55 1 n HIS . 55 A 55 A 56 1 n ARG . 56 A 56 A 57 1 n VAL . 57 A 57 A 58 1 n VAL . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n GLY . 61 A 61 A 62 1 n ARG . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n GLU . 65 A 65 A 66 1 n VAL . 66 A 66 A 67 1 n ALA . 67 A 67 A 68 1 n GLY . 68 A 68 A 69 1 n GLU . 69 A 69 A 70 1 n TYR . 70 A 70 A 71 1 n LEU . 71 A 71 A 72 1 n LYS . 72 A 72 A 73 1 n LYS . 73 A 73 A 74 1 n GLY . 74 A 74 A 75 1 n SER . 75 A 75 A 76 1 n GLN . 76 A 76 A 77 1 n VAL . 77 A 77 A 78 1 n TYR . 78 A 78 A 79 1 n LEU . 79 A 79 A 80 1 n GLU . 80 A 80 A 81 1 n GLY . 81 A 81 A 82 1 n SER . 82 A 82 A 83 1 n ASN . 83 A 83 A 84 1 n ARG . 84 A 84 A 85 1 n THR . 85 A 85 A 86 1 n ARG . 86 A 86 A 87 1 n LYS . 87 A 87 A 88 1 n TRP . 88 A 88 A 89 1 n THR . 89 A 89 A 90 1 n ASP . 90 A 90 A 91 1 n ASN . 91 A 91 A 92 1 n GLN . 92 A 92 A 93 1 n GLN . 93 A 93 A 94 1 n ILE . 94 A 94 A 95 1 n GLU . 95 A 95 A 96 1 n ARG . 96 A 96 A 97 1 n TYR . 97 A 97 A 98 1 n THR . 98 A 98 A 99 1 n THR . 99 A 99 A 100 1 n GLU . 100 A 100 A 101 1 n VAL . 101 A 101 A 102 1 n HIS . 102 A 102 A 103 1 n CYS . 103 A 103 A 104 1 n PHE . 104 A 104 A 105 1 n GLU . 105 A 105 A 106 1 n MET . 106 A 106 A 107 1 n GLN . 107 A 107 A 108 1 n MET . 108 A 108 A 109 1 n LEU . 109 A 109 A 110 1 n GLY . 110 A 110 A 111 1 n GLY . 111 A 111 A 112 1 n ARG . 112 A 112 A 113 1 n GLY . 113 A 113 A 114 1 n ASN . 114 A 114 A 115 1 n ALA . 115 A 115 A 116 1 n PRO . 116 A 116 A 117 1 n GLN . 117 A 117 A 118 1 n ASP . 118 A 118 A 119 1 n ASN . 119 A 119 A 120 1 n SER . 120 A 120 A 121 1 n GLN . 121 A 121 A 122 1 n ARG . 122 A 122 A 123 1 n ALA . 123 A 123 A 124 1 n ALA . 124 A 124 A 125 1 n PRO . 125 A 125 A 126 1 n GLN . 126 A 126 A 127 1 n GLN . 127 A 127 A 128 1 n GLY . 128 A 128 A 129 1 n GLN . 129 A 129 A 130 1 n ARG . 130 A 130 A 131 1 n THR . 131 A 131 A 132 1 n GLY . 132 A 132 A 133 1 n ALA . 133 A 133 A 134 1 n GLY . 134 A 134 A 135 1 n THR . 135 A 135 A 136 1 n GLN . 136 A 136 A 137 1 n SER . 137 A 137 A 138 1 n ALA . 138 A 138 A 139 1 n PRO . 139 A 139 A 140 1 n VAL . 140 A 140 A 141 1 n GLN . 141 A 141 A 142 1 n GLN . 142 A 142 A 143 1 n SER . 143 A 143 A 144 1 n ALA . 144 A 144 A 145 1 n PRO . 145 A 145 A 146 1 n GLN . 146 A 146 A 147 1 n GLY . 147 A 147 A 148 1 n GLY . 148 A 148 A 149 1 n MET . 149 A 149 A 150 1 n GLY . 150 A 150 A 151 1 n GLY . 151 A 151 A 152 1 n GLY . 152 A 152 A 153 1 n TYR . 153 A 153 A 154 1 n GLY . 154 A 154 A 155 1 n PRO . 155 A 155 A 156 1 n ALA . 156 A 156 A 157 1 n PRO . 157 A 157 A 158 1 n ASP . 158 A 158 A 159 1 n GLY . 159 A 159 A 160 1 n TRP . 160 A 160 A 161 1 n ASP . 161 A 161 A 162 1 n ASP . 162 A 162 A 163 1 n ASP . 163 A 163 A 164 1 n ILE . 164 A 164 A 165 1 n PRO . 165 A 165 A 166 1 n PHE . 166 A 166 A 167 1 n MET . 167 A 167 A 168 1 n ARG . 168 A 168 A 169 1 n LEU . 169 A 169 A 170 1 n HIS . 170 A 170 A 171 1 n HIS . 171 A 171 A 172 1 n LEU . 172 A 172 A 173 1 n ALA . 173 A 173 A 174 1 n GLY . 174 A 174 A 175 1 n GLY . 175 A 175 # _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 ? -33.157 -22.304 -2.480 1.00 64.86 1 A 1 ATOM 2 C CA . MET A 1 1 ? -31.678 -22.311 -2.457 1.00 77.00 1 A 1 ATOM 3 C C . MET A 1 1 ? -31.216 -20.892 -2.151 1.00 78.26 1 A 1 ATOM 4 O O . MET A 1 1 ? -31.422 -20.019 -2.997 1.00 71.71 1 A 1 ATOM 5 C CB . MET A 1 1 ? -31.100 -22.763 -3.807 1.00 69.23 1 A 1 ATOM 6 C CG . MET A 1 1 ? -31.406 -24.227 -4.172 1.00 60.37 1 A 1 ATOM 7 S SD . MET A 1 1 ? -30.637 -25.448 -3.088 1.00 57.38 1 A 1 ATOM 8 C CE . MET A 1 1 ? -30.664 -26.894 -4.168 1.00 48.24 1 A 1 ATOM 9 N N . SER A 1 2 ? -30.679 -20.639 -0.961 1.00 73.98 2 A 1 ATOM 10 C CA . SER A 1 2 ? -30.099 -19.334 -0.624 1.00 81.09 2 A 1 ATOM 11 C C . SER A 1 2 ? -28.716 -19.215 -1.275 1.00 81.28 2 A 1 ATOM 12 O O . SER A 1 2 ? -27.911 -20.141 -1.206 1.00 75.36 2 A 1 ATOM 13 C CB . SER A 1 2 ? -30.026 -19.143 0.895 1.00 75.60 2 A 1 ATOM 14 O OG . SER A 1 2 ? -29.425 -20.256 1.516 1.00 66.31 2 A 1 ATOM 15 N N . LYS A 1 3 ? -28.438 -18.097 -1.956 1.00 85.45 3 A 1 ATOM 16 C CA . LYS A 1 3 ? -27.107 -17.781 -2.495 1.00 88.07 3 A 1 ATOM 17 C C . LYS A 1 3 ? -26.371 -16.896 -1.486 1.00 89.88 3 A 1 ATOM 18 O O . LYS A 1 3 ? -26.917 -15.884 -1.059 1.00 84.80 3 A 1 ATOM 19 C CB . LYS A 1 3 ? -27.216 -17.106 -3.872 1.00 81.07 3 A 1 ATOM 20 C CG . LYS A 1 3 ? -27.724 -18.061 -4.971 1.00 69.43 3 A 1 ATOM 21 C CD . LYS A 1 3 ? -27.745 -17.358 -6.339 1.00 67.19 3 A 1 ATOM 22 C CE . LYS A 1 3 ? -28.241 -18.307 -7.439 1.00 58.46 3 A 1 ATOM 23 N NZ . LYS A 1 3 ? -28.287 -17.641 -8.766 1.00 50.89 3 A 1 ATOM 24 N N . GLY A 1 4 ? -25.156 -17.283 -1.103 1.00 92.04 4 A 1 ATOM 25 C CA . GLY A 1 4 ? -24.253 -16.451 -0.302 1.00 93.24 4 A 1 ATOM 26 C C . GLY A 1 4 ? -23.331 -15.606 -1.182 1.00 94.63 4 A 1 ATOM 27 O O . GLY A 1 4 ? -23.180 -15.879 -2.373 1.00 92.73 4 A 1 ATOM 28 N N . VAL A 1 5 ? -22.676 -14.615 -0.572 1.00 96.49 5 A 1 ATOM 29 C CA . VAL A 1 5 ? -21.624 -13.806 -1.202 1.00 96.78 5 A 1 ATOM 30 C C . VAL A 1 5 ? -20.297 -14.107 -0.512 1.00 97.20 5 A 1 ATOM 31 O O . VAL A 1 5 ? -20.204 -14.049 0.707 1.00 96.30 5 A 1 ATOM 32 C CB . VAL A 1 5 ? -21.958 -12.301 -1.159 1.00 95.43 5 A 1 ATOM 33 C CG1 . VAL A 1 5 ? -20.852 -11.458 -1.803 1.00 90.85 5 A 1 ATOM 34 C CG2 . VAL A 1 5 ? -23.269 -12.016 -1.910 1.00 90.62 5 A 1 ATOM 35 N N . ASN A 1 6 ? -19.275 -14.455 -1.297 1.00 97.37 6 A 1 ATOM 36 C CA . ASN A 1 6 ? -17.903 -14.649 -0.837 1.00 97.71 6 A 1 ATOM 37 C C . ASN A 1 6 ? -16.989 -13.840 -1.759 1.00 97.98 6 A 1 ATOM 38 O O . ASN A 1 6 ? -16.565 -14.335 -2.803 1.00 97.52 6 A 1 ATOM 39 C CB . ASN A 1 6 ? -17.587 -16.155 -0.822 1.00 97.24 6 A 1 ATOM 40 C CG . ASN A 1 6 ? -16.167 -16.462 -0.369 1.00 97.58 6 A 1 ATOM 41 O OD1 . ASN A 1 6 ? -15.383 -15.609 0.003 1.00 96.03 6 A 1 ATOM 42 N ND2 . ASN A 1 6 ? -15.788 -17.718 -0.399 1.00 95.67 6 A 1 ATOM 43 N N . LYS A 1 7 ? -16.752 -12.572 -1.398 1.00 98.11 7 A 1 ATOM 44 C CA . LYS A 1 7 ? -15.942 -11.623 -2.157 1.00 98.20 7 A 1 ATOM 45 C C . LYS A 1 7 ? -14.846 -11.051 -1.269 1.00 98.47 7 A 1 ATOM 46 O O . LYS A 1 7 ? -15.111 -10.665 -0.138 1.00 98.10 7 A 1 ATOM 47 C CB . LYS A 1 7 ? -16.833 -10.532 -2.781 1.00 97.44 7 A 1 ATOM 48 C CG . LYS A 1 7 ? -16.023 -9.633 -3.740 1.00 93.09 7 A 1 ATOM 49 C CD . LYS A 1 7 ? -16.872 -8.679 -4.600 1.00 89.28 7 A 1 ATOM 50 C CE . LYS A 1 7 ? -15.881 -7.944 -5.519 1.00 81.89 7 A 1 ATOM 51 N NZ . LYS A 1 7 ? -16.460 -7.057 -6.557 1.00 74.63 7 A 1 ATOM 52 N N . VAL A 1 8 ? -13.636 -11.015 -1.794 1.00 98.49 8 A 1 ATOM 53 C CA . VAL A 1 8 ? -12.448 -10.438 -1.159 1.00 98.59 8 A 1 ATOM 54 C C . VAL A 1 8 ? -11.848 -9.430 -2.123 1.00 98.66 8 A 1 ATOM 55 O O . VAL A 1 8 ? -11.708 -9.732 -3.305 1.00 98.26 8 A 1 ATOM 56 C CB . VAL A 1 8 ? -11.419 -11.530 -0.801 1.00 98.32 8 A 1 ATOM 57 C CG1 . VAL A 1 8 ? -10.189 -10.940 -0.103 1.00 97.38 8 A 1 ATOM 58 C CG2 . VAL A 1 8 ? -12.032 -12.575 0.140 1.00 97.27 8 A 1 ATOM 59 N N . ILE A 1 9 ? -11.507 -8.242 -1.610 1.00 98.62 9 A 1 ATOM 60 C CA . ILE A 1 9 ? -10.793 -7.190 -2.339 1.00 98.56 9 A 1 ATOM 61 C C . ILE A 1 9 ? -9.560 -6.848 -1.513 1.00 98.49 9 A 1 ATOM 62 O O . ILE A 1 9 ? -9.683 -6.594 -0.318 1.00 97.95 9 A 1 ATOM 63 C CB . ILE A 1 9 ? -11.686 -5.952 -2.585 1.00 98.33 9 A 1 ATOM 64 C CG1 . ILE A 1 9 ? -12.961 -6.336 -3.373 1.00 97.52 9 A 1 ATOM 65 C CG2 . ILE A 1 9 ? -10.883 -4.868 -3.328 1.00 97.41 9 A 1 ATOM 66 C CD1 . ILE A 1 9 ? -13.950 -5.187 -3.595 1.00 94.28 9 A 1 ATOM 67 N N . LEU A 1 10 ? -8.389 -6.878 -2.138 1.00 98.50 10 A 1 ATOM 68 C CA . LEU A 1 10 ? -7.113 -6.569 -1.497 1.00 98.40 10 A 1 ATOM 69 C C . LEU A 1 10 ? -6.373 -5.515 -2.315 1.00 98.28 10 A 1 ATOM 70 O O . LEU A 1 10 ? -6.316 -5.602 -3.538 1.00 97.76 10 A 1 ATOM 71 C CB . LEU A 1 10 ? -6.248 -7.838 -1.357 1.00 98.24 10 A 1 ATOM 72 C CG . LEU A 1 10 ? -6.883 -8.990 -0.558 1.00 97.91 10 A 1 ATOM 73 C CD1 . LEU A 1 10 ? -5.992 -10.230 -0.642 1.00 97.07 10 A 1 ATOM 74 C CD2 . LEU A 1 10 ? -7.078 -8.640 0.917 1.00 97.01 10 A 1 ATOM 75 N N . VAL A 1 11 ? -5.750 -4.560 -1.617 1.00 97.86 11 A 1 ATOM 76 C CA . VAL A 1 11 ? -4.719 -3.675 -2.170 1.00 97.52 11 A 1 ATOM 77 C C . VAL A 1 11 ? -3.502 -3.806 -1.275 1.00 97.38 11 A 1 ATOM 78 O O . VAL A 1 11 ? -3.577 -3.502 -0.087 1.00 96.43 11 A 1 ATOM 79 C CB . VAL A 1 11 ? -5.188 -2.214 -2.268 1.00 96.76 11 A 1 ATOM 80 C CG1 . VAL A 1 11 ? -4.067 -1.322 -2.823 1.00 95.54 11 A 1 ATOM 81 C CG2 . VAL A 1 11 ? -6.398 -2.083 -3.204 1.00 95.75 11 A 1 ATOM 82 N N . GLY A 1 12 ? -2.399 -4.295 -1.821 1.00 97.46 12 A 1 ATOM 83 C CA . GLY A 1 12 ? -1.216 -4.571 -1.013 1.00 97.00 12 A 1 ATOM 84 C C . GLY A 1 12 ? 0.017 -4.862 -1.854 1.00 96.76 12 A 1 ATOM 85 O O . GLY A 1 12 ? -0.006 -4.748 -3.082 1.00 96.40 12 A 1 ATOM 86 N N . ASN A 1 13 ? 1.097 -5.244 -1.190 1.00 96.82 13 A 1 ATOM 87 C CA . ASN A 1 13 ? 2.402 -5.486 -1.799 1.00 96.65 13 A 1 ATOM 88 C C . ASN A 1 13 ? 2.781 -6.966 -1.698 1.00 97.37 13 A 1 ATOM 89 O O . ASN A 1 13 ? 2.555 -7.607 -0.670 1.00 97.22 13 A 1 ATOM 90 C CB . ASN A 1 13 ? 3.449 -4.573 -1.142 1.00 95.59 13 A 1 ATOM 91 C CG . ASN A 1 13 ? 3.167 -3.105 -1.398 1.00 94.17 13 A 1 ATOM 92 O OD1 . ASN A 1 13 ? 2.343 -2.479 -0.751 1.00 84.62 13 A 1 ATOM 93 N ND2 . ASN A 1 13 ? 3.806 -2.514 -2.378 1.00 84.23 13 A 1 ATOM 94 N N . LEU A 1 14 ? 3.404 -7.515 -2.753 1.00 96.44 14 A 1 ATOM 95 C CA . LEU A 1 14 ? 3.898 -8.891 -2.743 1.00 96.83 14 A 1 ATOM 96 C C . LEU A 1 14 ? 5.052 -9.055 -1.749 1.00 96.33 14 A 1 ATOM 97 O O . LEU A 1 14 ? 6.031 -8.314 -1.787 1.00 95.81 14 A 1 ATOM 98 C CB . LEU A 1 14 ? 4.338 -9.326 -4.148 1.00 97.27 14 A 1 ATOM 99 C CG . LEU A 1 14 ? 3.202 -9.870 -5.030 1.00 96.74 14 A 1 ATOM 100 C CD1 . LEU A 1 14 ? 2.246 -8.781 -5.514 1.00 95.08 14 A 1 ATOM 101 C CD2 . LEU A 1 14 ? 3.801 -10.562 -6.252 1.00 95.44 14 A 1 ATOM 102 N N . GLY A 1 15 ? 4.982 -10.077 -0.893 1.00 97.03 15 A 1 ATOM 103 C CA . GLY A 1 15 ? 6.063 -10.428 0.041 1.00 96.67 15 A 1 ATOM 104 C C . GLY A 1 15 ? 7.225 -11.195 -0.596 1.00 96.77 15 A 1 ATOM 105 O O . GLY A 1 15 ? 8.349 -11.163 -0.084 1.00 95.54 15 A 1 ATOM 106 N N . SER A 1 16 ? 6.968 -11.870 -1.719 1.00 96.86 16 A 1 ATOM 107 C CA . SER A 1 16 ? 7.940 -12.638 -2.503 1.00 96.35 16 A 1 ATOM 108 C C . SER A 1 16 ? 7.555 -12.634 -3.976 1.00 96.97 16 A 1 ATOM 109 O O . SER A 1 16 ? 6.421 -12.301 -4.322 1.00 96.40 16 A 1 ATOM 110 C CB . SER A 1 16 ? 8.016 -14.084 -1.989 1.00 94.67 16 A 1 ATOM 111 O OG . SER A 1 16 ? 6.770 -14.749 -2.097 1.00 91.77 16 A 1 ATOM 112 N N . ASP A 1 17 ? 8.481 -13.051 -4.842 1.00 96.75 17 A 1 ATOM 113 C CA . ASP A 1 17 ? 8.165 -13.316 -6.245 1.00 97.01 17 A 1 ATOM 114 C C . ASP A 1 17 ? 7.101 -14.425 -6.358 1.00 97.42 17 A 1 ATOM 115 O O . ASP A 1 17 ? 7.056 -15.324 -5.507 1.00 97.01 17 A 1 ATOM 116 C CB . ASP A 1 17 ? 9.446 -13.680 -7.018 1.00 96.07 17 A 1 ATOM 117 C CG . ASP A 1 17 ? 10.488 -12.553 -7.064 1.00 95.23 17 A 1 ATOM 118 O OD1 . ASP A 1 17 ? 10.151 -11.396 -6.706 1.00 92.58 17 A 1 ATOM 119 O OD2 . ASP A 1 17 ? 11.646 -12.845 -7.428 1.00 91.96 17 A 1 ATOM 120 N N . PRO A 1 18 ? 6.214 -14.393 -7.388 1.00 97.94 18 A 1 ATOM 121 C CA . PRO A 1 18 ? 5.199 -15.418 -7.586 1.00 98.00 18 A 1 ATOM 122 C C . PRO A 1 18 ? 5.803 -16.788 -7.908 1.00 98.18 18 A 1 ATOM 123 O O . PRO A 1 18 ? 6.612 -16.934 -8.826 1.00 97.63 18 A 1 ATOM 124 C CB . PRO A 1 18 ? 4.307 -14.921 -8.725 1.00 97.40 18 A 1 ATOM 125 C CG . PRO A 1 18 ? 4.535 -13.411 -8.727 1.00 95.86 18 A 1 ATOM 126 C CD . PRO A 1 18 ? 5.998 -13.293 -8.309 1.00 97.59 18 A 1 ATOM 127 N N . GLU A 1 19 ? 5.349 -17.836 -7.202 1.00 98.16 19 A 1 ATOM 128 C CA . GLU A 1 19 ? 5.688 -19.221 -7.521 1.00 98.04 19 A 1 ATOM 129 C C . GLU A 1 19 ? 4.739 -19.763 -8.595 1.00 98.18 19 A 1 ATOM 130 O O . GLU A 1 19 ? 3.548 -19.975 -8.339 1.00 97.48 19 A 1 ATOM 131 C CB . GLU A 1 19 ? 5.595 -20.121 -6.283 1.00 97.11 19 A 1 ATOM 132 C CG . GLU A 1 19 ? 6.662 -19.845 -5.216 1.00 86.39 19 A 1 ATOM 133 C CD . GLU A 1 19 ? 6.551 -20.836 -4.037 1.00 84.31 19 A 1 ATOM 134 O OE1 . GLU A 1 19 ? 7.108 -20.525 -2.965 1.00 75.64 19 A 1 ATOM 135 O OE2 . GLU A 1 19 ? 5.916 -21.923 -4.202 1.00 77.39 19 A 1 ATOM 136 N N . ILE A 1 20 ? 5.264 -20.042 -9.795 1.00 98.21 20 A 1 ATOM 137 C CA . ILE A 1 20 ? 4.491 -20.586 -10.916 1.00 98.14 20 A 1 ATOM 138 C C . ILE A 1 20 ? 4.622 -22.109 -10.976 1.00 98.11 20 A 1 ATOM 139 O O . ILE A 1 20 ? 5.716 -22.666 -10.943 1.00 97.37 20 A 1 ATOM 140 C CB . ILE A 1 20 ? 4.887 -19.937 -12.257 1.00 97.49 20 A 1 ATOM 141 C CG1 . ILE A 1 20 ? 4.887 -18.392 -12.195 1.00 93.67 20 A 1 ATOM 142 C CG2 . ILE A 1 20 ? 3.955 -20.414 -13.389 1.00 93.66 20 A 1 ATOM 143 C CD1 . ILE A 1 20 ? 3.541 -17.765 -11.800 1.00 82.14 20 A 1 ATOM 144 N N . ARG A 1 21 ? 3.465 -22.792 -11.117 1.00 98.31 21 A 1 ATOM 145 C CA . ARG A 1 21 ? 3.373 -24.237 -11.346 1.00 98.03 21 A 1 ATOM 146 C C . ARG A 1 21 ? 2.342 -24.509 -12.433 1.00 98.34 21 A 1 ATOM 147 O O . ARG A 1 21 ? 1.391 -23.755 -12.588 1.00 97.79 21 A 1 ATOM 148 C CB . ARG A 1 21 ? 3.027 -24.966 -10.043 1.00 96.47 21 A 1 ATOM 149 C CG . ARG A 1 21 ? 4.053 -24.685 -8.931 1.00 87.64 21 A 1 ATOM 150 C CD . ARG A 1 21 ? 3.730 -25.450 -7.647 1.00 86.64 21 A 1 ATOM 151 N NE . ARG A 1 21 ? 4.549 -24.958 -6.520 1.00 74.52 21 A 1 ATOM 152 C CZ . ARG A 1 21 ? 4.566 -25.410 -5.284 1.00 66.83 21 A 1 ATOM 153 N NH1 . ARG A 1 21 ? 3.869 -26.456 -4.927 1.00 60.52 21 A 1 ATOM 154 N NH2 . ARG A 1 21 ? 5.286 -24.791 -4.374 1.00 55.39 21 A 1 ATOM 155 N N . TYR A 1 22 ? 2.514 -25.622 -13.144 1.00 97.80 22 A 1 ATOM 156 C CA . TYR A 1 22 ? 1.565 -26.053 -14.166 1.00 97.90 22 A 1 ATOM 157 C C . TYR A 1 22 ? 0.827 -27.303 -13.700 1.00 97.97 22 A 1 ATOM 158 O O . TYR A 1 22 ? 1.427 -28.245 -13.182 1.00 97.00 22 A 1 ATOM 159 C CB . TYR A 1 22 ? 2.281 -26.237 -15.504 1.00 97.50 22 A 1 ATOM 160 C CG . TYR A 1 22 ? 2.810 -24.928 -16.061 1.00 97.50 22 A 1 ATOM 161 C CD1 . TYR A 1 22 ? 1.995 -24.133 -16.891 1.00 94.89 22 A 1 ATOM 162 C CD2 . TYR A 1 22 ? 4.104 -24.479 -15.718 1.00 95.34 22 A 1 ATOM 163 C CE1 . TYR A 1 22 ? 2.467 -22.902 -17.385 1.00 94.93 22 A 1 ATOM 164 C CE2 . TYR A 1 22 ? 4.580 -23.246 -16.203 1.00 94.93 22 A 1 ATOM 165 C CZ . TYR A 1 22 ? 3.758 -22.459 -17.040 1.00 95.81 22 A 1 ATOM 166 O OH . TYR A 1 22 ? 4.215 -21.267 -17.513 1.00 94.17 22 A 1 ATOM 167 N N . MET A 1 23 ? -0.495 -27.311 -13.858 1.00 97.64 23 A 1 ATOM 168 C CA . MET A 1 23 ? -1.313 -28.501 -13.642 1.00 97.55 23 A 1 ATOM 169 C C . MET A 1 23 ? -1.106 -29.511 -14.787 1.00 97.92 23 A 1 ATOM 170 O O . MET A 1 23 ? -0.715 -29.109 -15.883 1.00 97.27 23 A 1 ATOM 171 C CB . MET A 1 23 ? -2.789 -28.100 -13.509 1.00 96.63 23 A 1 ATOM 172 C CG . MET A 1 23 ? -3.051 -27.327 -12.212 1.00 92.43 23 A 1 ATOM 173 S SD . MET A 1 23 ? -4.805 -27.086 -11.813 1.00 85.95 23 A 1 ATOM 174 C CE . MET A 1 23 ? -5.212 -25.742 -12.947 1.00 72.53 23 A 1 ATOM 175 N N . PRO A 1 24 ? -1.449 -30.801 -14.600 1.00 97.67 24 A 1 ATOM 176 C CA . PRO A 1 24 ? -1.402 -31.794 -15.682 1.00 97.49 24 A 1 ATOM 177 C C . PRO A 1 24 ? -2.210 -31.403 -16.934 1.00 97.67 24 A 1 ATOM 178 O O . PRO A 1 24 ? -1.897 -31.833 -18.035 1.00 96.41 24 A 1 ATOM 179 C CB . PRO A 1 24 ? -1.946 -33.086 -15.063 1.00 96.71 24 A 1 ATOM 180 C CG . PRO A 1 24 ? -1.628 -32.932 -13.577 1.00 95.13 24 A 1 ATOM 181 C CD . PRO A 1 24 ? -1.804 -31.440 -13.338 1.00 96.93 24 A 1 ATOM 182 N N . SER A 1 25 ? -3.227 -30.552 -16.771 1.00 96.97 25 A 1 ATOM 183 C CA . SER A 1 25 ? -4.015 -29.976 -17.870 1.00 96.74 25 A 1 ATOM 184 C C . SER A 1 25 ? -3.288 -28.879 -18.668 1.00 97.00 25 A 1 ATOM 185 O O . SER A 1 25 ? -3.878 -28.318 -19.588 1.00 95.51 25 A 1 ATOM 186 C CB . SER A 1 25 ? -5.318 -29.406 -17.303 1.00 95.97 25 A 1 ATOM 187 O OG . SER A 1 25 ? -5.040 -28.372 -16.375 1.00 92.89 25 A 1 ATOM 188 N N . GLY A 1 26 ? -2.054 -28.497 -18.281 1.00 97.32 26 A 1 ATOM 189 C CA . GLY A 1 26 ? -1.306 -27.370 -18.846 1.00 97.21 26 A 1 ATOM 190 C C . GLY A 1 26 ? -1.688 -25.996 -18.279 1.00 97.67 26 A 1 ATOM 191 O O . GLY A 1 26 ? -1.049 -25.005 -18.613 1.00 96.62 26 A 1 ATOM 192 N N . THR A 1 27 ? -2.693 -25.903 -17.397 1.00 97.69 27 A 1 ATOM 193 C CA . THR A 1 27 ? -3.112 -24.617 -16.815 1.00 97.87 27 A 1 ATOM 194 C C . THR A 1 27 ? -2.077 -24.117 -15.806 1.00 98.14 27 A 1 ATOM 195 O O . THR A 1 27 ? -1.745 -24.825 -14.852 1.00 97.61 27 A 1 ATOM 196 C CB . THR A 1 27 ? -4.481 -24.717 -16.135 1.00 97.20 27 A 1 ATOM 197 O OG1 . THR A 1 27 ? -5.438 -25.306 -16.982 1.00 92.63 27 A 1 ATOM 198 C CG2 . THR A 1 27 ? -5.035 -23.345 -15.737 1.00 91.82 27 A 1 ATOM 199 N N . ALA A 1 28 ? -1.606 -22.867 -15.976 1.00 98.08 28 A 1 ATOM 200 C CA . ALA A 1 28 ? -0.717 -22.203 -15.031 1.00 98.22 28 A 1 ATOM 201 C C . ALA A 1 28 ? -1.436 -21.871 -13.711 1.00 98.34 28 A 1 ATOM 202 O O . ALA A 1 28 ? -2.615 -21.510 -13.686 1.00 98.02 28 A 1 ATOM 203 C CB . ALA A 1 28 ? -0.125 -20.951 -15.691 1.00 97.88 28 A 1 ATOM 204 N N . VAL A 1 29 ? -0.704 -21.982 -12.599 1.00 98.54 29 A 1 ATOM 205 C CA . VAL A 1 29 ? -1.127 -21.579 -11.253 1.00 98.53 29 A 1 ATOM 206 C C . VAL A 1 29 ? 0.006 -20.783 -10.617 1.00 98.59 29 A 1 ATOM 207 O O . VAL A 1 29 ? 1.120 -21.293 -10.504 1.00 98.26 29 A 1 ATOM 208 C CB . VAL A 1 29 ? -1.479 -22.794 -10.375 1.00 98.14 29 A 1 ATOM 209 C CG1 . VAL A 1 29 ? -2.007 -22.358 -8.998 1.00 96.40 29 A 1 ATOM 210 C CG2 . VAL A 1 29 ? -2.559 -23.671 -11.021 1.00 96.36 29 A 1 ATOM 211 N N . ALA A 1 30 ? -0.279 -19.551 -10.192 1.00 98.48 30 A 1 ATOM 212 C CA . ALA A 1 30 ? 0.644 -18.715 -9.436 1.00 98.49 30 A 1 ATOM 213 C C . ALA A 1 30 ? 0.226 -18.673 -7.968 1.00 98.50 30 A 1 ATOM 214 O O . ALA A 1 30 ? -0.951 -18.465 -7.669 1.00 98.20 30 A 1 ATOM 215 C CB . ALA A 1 30 ? 0.691 -17.306 -10.043 1.00 98.32 30 A 1 ATOM 216 N N . ASN A 1 31 ? 1.187 -18.846 -7.053 1.00 98.51 31 A 1 ATOM 217 C CA . ASN A 1 31 ? 0.986 -18.672 -5.616 1.00 98.38 31 A 1 ATOM 218 C C . ASN A 1 31 ? 1.949 -17.603 -5.099 1.00 98.48 31 A 1 ATOM 219 O O . ASN A 1 31 ? 3.135 -17.629 -5.428 1.00 98.10 31 A 1 ATOM 220 C CB . ASN A 1 31 ? 1.191 -19.997 -4.863 1.00 97.72 31 A 1 ATOM 221 C CG . ASN A 1 31 ? 0.290 -21.108 -5.363 1.00 93.96 31 A 1 ATOM 222 O OD1 . ASN A 1 31 ? -0.816 -21.327 -4.904 1.00 82.98 31 A 1 ATOM 223 N ND2 . ASN A 1 31 ? 0.749 -21.874 -6.326 1.00 83.04 31 A 1 ATOM 224 N N . PHE A 1 32 ? 1.448 -16.683 -4.273 1.00 98.35 32 A 1 ATOM 225 C CA . PHE A 1 32 ? 2.265 -15.669 -3.608 1.00 98.40 32 A 1 ATOM 226 C C . PHE A 1 32 ? 1.534 -15.112 -2.385 1.00 98.43 32 A 1 ATOM 227 O O . PHE A 1 32 ? 0.338 -15.334 -2.203 1.00 98.06 32 A 1 ATOM 228 C CB . PHE A 1 32 ? 2.648 -14.552 -4.594 1.00 98.34 32 A 1 ATOM 229 C CG . PHE A 1 32 ? 1.495 -13.886 -5.316 1.00 98.52 32 A 1 ATOM 230 C CD1 . PHE A 1 32 ? 1.002 -14.445 -6.514 1.00 97.88 32 A 1 ATOM 231 C CD2 . PHE A 1 32 ? 0.939 -12.691 -4.825 1.00 97.94 32 A 1 ATOM 232 C CE1 . PHE A 1 32 ? -0.031 -13.806 -7.220 1.00 97.60 32 A 1 ATOM 233 C CE2 . PHE A 1 32 ? -0.095 -12.054 -5.533 1.00 97.56 32 A 1 ATOM 234 C CZ . PHE A 1 32 ? -0.580 -12.608 -6.734 1.00 97.90 32 A 1 ATOM 235 N N . ASN A 1 33 ? 2.260 -14.395 -1.528 1.00 98.38 33 A 1 ATOM 236 C CA . ASN A 1 33 ? 1.687 -13.722 -0.365 1.00 98.27 33 A 1 ATOM 237 C C . ASN A 1 33 ? 1.596 -12.219 -0.632 1.00 98.46 33 A 1 ATOM 238 O O . ASN A 1 33 ? 2.530 -11.636 -1.191 1.00 98.04 33 A 1 ATOM 239 C CB . ASN A 1 33 ? 2.525 -14.034 0.880 1.00 97.40 33 A 1 ATOM 240 C CG . ASN A 1 33 ? 2.539 -15.513 1.232 1.00 91.99 33 A 1 ATOM 241 O OD1 . ASN A 1 33 ? 1.549 -16.226 1.189 1.00 77.77 33 A 1 ATOM 242 N ND2 . ASN A 1 33 ? 3.685 -16.037 1.602 1.00 79.00 33 A 1 ATOM 243 N N . VAL A 1 34 ? 0.496 -11.600 -0.194 1.00 98.24 34 A 1 ATOM 244 C CA . VAL A 1 34 ? 0.281 -10.147 -0.255 1.00 98.42 34 A 1 ATOM 245 C C . VAL A 1 34 ? 0.152 -9.610 1.159 1.00 98.47 34 A 1 ATOM 246 O O . VAL A 1 34 ? -0.612 -10.151 1.955 1.00 98.18 34 A 1 ATOM 247 C CB . VAL A 1 34 ? -0.949 -9.794 -1.107 1.00 98.21 34 A 1 ATOM 248 C CG1 . VAL A 1 34 ? -1.270 -8.292 -1.095 1.00 97.29 34 A 1 ATOM 249 C CG2 . VAL A 1 34 ? -0.702 -10.192 -2.569 1.00 97.13 34 A 1 ATOM 250 N N . ALA A 1 35 ? 0.899 -8.547 1.469 1.00 98.01 35 A 1 ATOM 251 C CA . ALA A 1 35 ? 0.820 -7.806 2.716 1.00 97.82 35 A 1 ATOM 252 C C . ALA A 1 35 ? -0.158 -6.635 2.578 1.00 97.54 35 A 1 ATOM 253 O O . ALA A 1 35 ? -0.046 -5.847 1.634 1.00 96.99 35 A 1 ATOM 254 C CB . ALA A 1 35 ? 2.224 -7.315 3.087 1.00 97.42 35 A 1 ATOM 255 N N . THR A 1 36 ? -1.074 -6.495 3.534 1.00 97.99 36 A 1 ATOM 256 C CA . THR A 1 36 ? -1.885 -5.286 3.744 1.00 97.83 36 A 1 ATOM 257 C C . THR A 1 36 ? -1.548 -4.726 5.119 1.00 97.38 36 A 1 ATOM 258 O O . THR A 1 36 ? -1.471 -5.491 6.077 1.00 96.33 36 A 1 ATOM 259 C CB . THR A 1 36 ? -3.392 -5.568 3.647 1.00 97.55 36 A 1 ATOM 260 O OG1 . THR A 1 36 ? -3.786 -6.575 4.549 1.00 95.91 36 A 1 ATOM 261 C CG2 . THR A 1 36 ? -3.784 -6.035 2.244 1.00 95.75 36 A 1 ATOM 262 N N . THR A 1 37 ? -1.305 -3.419 5.223 1.00 96.74 37 A 1 ATOM 263 C CA . THR A 1 37 ? -0.860 -2.804 6.480 1.00 95.52 37 A 1 ATOM 264 C C . THR A 1 37 ? -1.826 -1.706 6.901 1.00 95.16 37 A 1 ATOM 265 O O . THR A 1 37 ? -2.027 -0.744 6.157 1.00 93.96 37 A 1 ATOM 266 C CB . THR A 1 37 ? 0.571 -2.257 6.369 1.00 93.93 37 A 1 ATOM 267 O OG1 . THR A 1 37 ? 1.458 -3.301 6.013 1.00 88.28 37 A 1 ATOM 268 C CG2 . THR A 1 37 ? 1.085 -1.671 7.689 1.00 86.90 37 A 1 ATOM 269 N N . ASP A 1 38 ? -2.360 -1.843 8.126 1.00 95.52 38 A 1 ATOM 270 C CA . ASP A 1 38 ? -3.125 -0.799 8.796 1.00 94.50 38 A 1 ATOM 271 C C . ASP A 1 38 ? -2.208 -0.018 9.735 1.00 95.42 38 A 1 ATOM 272 O O . ASP A 1 38 ? -1.358 -0.591 10.417 1.00 93.97 38 A 1 ATOM 273 C CB . ASP A 1 38 ? -4.309 -1.404 9.559 1.00 91.00 38 A 1 ATOM 274 C CG . ASP A 1 38 ? -5.371 -1.989 8.625 1.00 80.00 38 A 1 ATOM 275 O OD1 . ASP A 1 38 ? -5.594 -1.389 7.545 1.00 73.00 38 A 1 ATOM 276 O OD2 . ASP A 1 38 ? -5.973 -3.011 9.012 1.00 74.12 38 A 1 ATOM 277 N N . THR A 1 39 ? -2.398 1.306 9.798 1.00 93.20 39 A 1 ATOM 278 C CA . THR A 1 39 ? -1.655 2.181 10.712 1.00 92.19 39 A 1 ATOM 279 C C . THR A 1 39 ? -2.624 2.977 11.576 1.00 92.52 39 A 1 ATOM 280 O O . THR A 1 39 ? -3.637 3.482 11.093 1.00 90.62 39 A 1 ATOM 281 C CB . THR A 1 39 ? -0.673 3.120 9.995 1.00 90.33 39 A 1 ATOM 282 O OG1 . THR A 1 39 ? -1.338 4.012 9.132 1.00 79.28 39 A 1 ATOM 283 C CG2 . THR A 1 39 ? 0.362 2.373 9.158 1.00 77.64 39 A 1 ATOM 284 N N . TRP A 1 40 ? -2.320 3.122 12.862 1.00 92.87 40 A 1 ATOM 285 C CA . TRP A 1 40 ? -3.107 3.932 13.785 1.00 92.22 40 A 1 ATOM 286 C C . TRP A 1 40 ? -2.204 4.622 14.804 1.00 92.92 40 A 1 ATOM 287 O O . TRP A 1 40 ? -1.088 4.185 15.082 1.00 91.88 40 A 1 ATOM 288 C CB . TRP A 1 40 ? -4.175 3.079 14.482 1.00 90.60 40 A 1 ATOM 289 C CG . TRP A 1 40 ? -3.662 2.099 15.496 1.00 89.96 40 A 1 ATOM 290 C CD1 . TRP A 1 40 ? -3.661 2.280 16.844 1.00 87.48 40 A 1 ATOM 291 C CD2 . TRP A 1 40 ? -3.068 0.789 15.273 1.00 89.79 40 A 1 ATOM 292 N NE1 . TRP A 1 40 ? -3.111 1.176 17.463 1.00 83.50 40 A 1 ATOM 293 C CE2 . TRP A 1 40 ? -2.727 0.221 16.543 1.00 87.11 40 A 1 ATOM 294 C CE3 . TRP A 1 40 ? -2.782 0.016 14.128 1.00 84.25 40 A 1 ATOM 295 C CZ2 . TRP A 1 40 ? -2.123 -1.040 16.665 1.00 84.24 40 A 1 ATOM 296 C CZ3 . TRP A 1 40 ? -2.179 -1.249 14.241 1.00 81.76 40 A 1 ATOM 297 C CH2 . TRP A 1 40 ? -1.848 -1.773 15.500 1.00 80.62 40 A 1 ATOM 298 N N . ARG A 1 41 ? -2.714 5.703 15.408 1.00 90.52 41 A 1 ATOM 299 C CA . ARG A 1 41 ? -2.048 6.371 16.522 1.00 91.59 41 A 1 ATOM 300 C C . ARG A 1 41 ? -2.594 5.819 17.838 1.00 91.97 41 A 1 ATOM 301 O O . ARG A 1 41 ? -3.800 5.874 18.079 1.00 89.14 41 A 1 ATOM 302 C CB . ARG A 1 41 ? -2.206 7.884 16.374 1.00 89.78 41 A 1 ATOM 303 C CG . ARG A 1 41 ? -1.266 8.634 17.327 1.00 81.02 41 A 1 ATOM 304 C CD . ARG A 1 41 ? -1.309 10.131 17.019 1.00 78.18 41 A 1 ATOM 305 N NE . ARG A 1 41 ? -0.378 10.878 17.882 1.00 69.69 41 A 1 ATOM 306 C CZ . ARG A 1 41 ? -0.134 12.173 17.837 1.00 62.42 41 A 1 ATOM 307 N NH1 . ARG A 1 41 ? -0.728 12.961 16.978 1.00 58.14 41 A 1 ATOM 308 N NH2 . ARG A 1 41 ? 0.720 12.700 18.666 1.00 55.93 41 A 1 ATOM 309 N N . ASP A 1 42 ? -1.729 5.294 18.674 1.00 90.11 42 A 1 ATOM 310 C CA . ASP A 1 42 ? -2.093 4.816 20.001 1.00 89.43 42 A 1 ATOM 311 C C . ASP A 1 42 ? -2.540 5.997 20.876 1.00 90.08 42 A 1 ATOM 312 O O . ASP A 1 42 ? -1.823 6.987 21.027 1.00 88.16 42 A 1 ATOM 313 C CB . ASP A 1 42 ? -0.918 4.040 20.606 1.00 87.26 42 A 1 ATOM 314 C CG . ASP A 1 42 ? -1.290 3.420 21.950 1.00 85.50 42 A 1 ATOM 315 O OD1 . ASP A 1 42 ? -1.345 4.174 22.938 1.00 79.22 42 A 1 ATOM 316 O OD2 . ASP A 1 42 ? -1.494 2.184 22.001 1.00 79.89 42 A 1 ATOM 317 N N . LYS A 1 43 ? -3.751 5.898 21.452 1.00 92.43 43 A 1 ATOM 318 C CA . LYS A 1 43 ? -4.358 6.999 22.221 1.00 92.01 43 A 1 ATOM 319 C C . LYS A 1 43 ? -3.660 7.274 23.557 1.00 92.81 43 A 1 ATOM 320 O O . LYS A 1 43 ? -3.835 8.358 24.101 1.00 90.34 43 A 1 ATOM 321 C CB . LYS A 1 43 ? -5.854 6.726 22.460 1.00 89.44 43 A 1 ATOM 322 C CG . LYS A 1 43 ? -6.681 6.736 21.164 1.00 82.75 43 A 1 ATOM 323 C CD . LYS A 1 43 ? -8.178 6.574 21.478 1.00 75.90 43 A 1 ATOM 324 C CE . LYS A 1 43 ? -8.998 6.611 20.183 1.00 67.86 43 A 1 ATOM 325 N NZ . LYS A 1 43 ? -10.460 6.511 20.441 1.00 58.00 43 A 1 ATOM 326 N N . GLN A 1 44 ? -2.934 6.302 24.106 1.00 93.02 44 A 1 ATOM 327 C CA . GLN A 1 44 ? -2.267 6.423 25.403 1.00 92.77 44 A 1 ATOM 328 C C . GLN A 1 44 ? -0.826 6.914 25.246 1.00 93.23 44 A 1 ATOM 329 O O . GLN A 1 44 ? -0.425 7.838 25.947 1.00 90.59 44 A 1 ATOM 330 C CB . GLN A 1 44 ? -2.291 5.080 26.147 1.00 91.39 44 A 1 ATOM 331 C CG . GLN A 1 44 ? -3.714 4.623 26.509 1.00 83.97 44 A 1 ATOM 332 C CD . GLN A 1 44 ? -3.738 3.310 27.297 1.00 75.55 44 A 1 ATOM 333 O OE1 . GLN A 1 44 ? -2.762 2.598 27.446 1.00 69.11 44 A 1 ATOM 334 N NE2 . GLN A 1 44 ? -4.877 2.928 27.832 1.00 66.33 44 A 1 ATOM 335 N N . SER A 1 45 ? -0.068 6.319 24.326 1.00 91.22 45 A 1 ATOM 336 C CA . SER A 1 45 ? 1.333 6.706 24.097 1.00 90.41 45 A 1 ATOM 337 C C . SER A 1 45 ? 1.496 7.841 23.076 1.00 90.65 45 A 1 ATOM 338 O O . SER A 1 45 ? 2.516 8.525 23.069 1.00 87.10 45 A 1 ATOM 339 C CB . SER A 1 45 ? 2.160 5.487 23.673 1.00 90.74 45 A 1 ATOM 340 O OG . SER A 1 45 ? 1.766 5.022 22.398 1.00 89.91 45 A 1 ATOM 341 N N . GLY A 1 46 ? 0.495 8.052 22.207 1.00 91.63 46 A 1 ATOM 342 C CA . GLY A 1 46 ? 0.598 8.989 21.088 1.00 91.25 46 A 1 ATOM 343 C C . GLY A 1 46 ? 1.485 8.506 19.934 1.00 92.52 46 A 1 ATOM 344 O O . GLY A 1 46 ? 1.637 9.234 18.945 1.00 89.91 46 A 1 ATOM 345 N N . GLU A 1 47 ? 2.044 7.296 20.028 1.00 91.49 47 A 1 ATOM 346 C CA . GLU A 1 47 ? 2.924 6.710 19.021 1.00 91.71 47 A 1 ATOM 347 C C . GLU A 1 47 ? 2.128 6.134 17.847 1.00 91.86 47 A 1 ATOM 348 O O . GLU A 1 47 ? 1.000 5.653 17.995 1.00 89.15 47 A 1 ATOM 349 C CB . GLU A 1 47 ? 3.811 5.620 19.648 1.00 88.82 47 A 1 ATOM 350 C CG . GLU A 1 47 ? 4.786 6.192 20.692 1.00 76.81 47 A 1 ATOM 351 C CD . GLU A 1 47 ? 5.634 5.100 21.373 1.00 72.35 47 A 1 ATOM 352 O OE1 . GLU A 1 47 ? 6.647 5.474 22.003 1.00 65.66 47 A 1 ATOM 353 O OE2 . GLU A 1 47 ? 5.238 3.908 21.292 1.00 68.29 47 A 1 ATOM 354 N N . GLN A 1 48 ? 2.714 6.166 16.647 1.00 92.60 48 A 1 ATOM 355 C CA . GLN A 1 48 ? 2.167 5.477 15.487 1.00 92.23 48 A 1 ATOM 356 C C . GLN A 1 48 ? 2.484 3.986 15.600 1.00 93.11 48 A 1 ATOM 357 O O . GLN A 1 48 ? 3.640 3.606 15.767 1.00 91.65 48 A 1 ATOM 358 C CB . GLN A 1 48 ? 2.714 6.113 14.206 1.00 89.42 48 A 1 ATOM 359 C CG . GLN A 1 48 ? 1.999 5.589 12.947 1.00 79.19 48 A 1 ATOM 360 C CD . GLN A 1 48 ? 2.379 6.367 11.684 1.00 73.39 48 A 1 ATOM 361 O OE1 . GLN A 1 48 ? 3.202 7.264 11.681 1.00 68.20 48 A 1 ATOM 362 N NE2 . GLN A 1 48 ? 1.760 6.075 10.559 1.00 65.24 48 A 1 ATOM 363 N N . ARG A 1 49 ? 1.439 3.147 15.508 1.00 93.44 49 A 1 ATOM 364 C CA . ARG A 1 49 ? 1.550 1.691 15.439 1.00 93.14 49 A 1 ATOM 365 C C . ARG A 1 49 ? 1.098 1.202 14.074 1.00 93.70 49 A 1 ATOM 366 O O . ARG A 1 49 ? 0.290 1.852 13.415 1.00 91.89 49 A 1 ATOM 367 C CB . ARG A 1 49 ? 0.759 1.027 16.568 1.00 91.75 49 A 1 ATOM 368 C CG . ARG A 1 49 ? 1.357 1.355 17.950 1.00 86.98 49 A 1 ATOM 369 C CD . ARG A 1 49 ? 0.745 0.438 19.012 1.00 82.87 49 A 1 ATOM 370 N NE . ARG A 1 49 ? 1.293 0.729 20.351 1.00 75.47 49 A 1 ATOM 371 C CZ . ARG A 1 49 ? 0.717 0.444 21.499 1.00 68.59 49 A 1 ATOM 372 N NH1 . ARG A 1 49 ? -0.348 -0.301 21.581 1.00 63.84 49 A 1 ATOM 373 N NH2 . ARG A 1 49 ? 1.183 0.944 22.601 1.00 62.46 49 A 1 ATOM 374 N N . GLU A 1 50 ? 1.612 0.046 13.684 1.00 94.47 50 A 1 ATOM 375 C CA . GLU A 1 50 ? 1.235 -0.633 12.451 1.00 94.12 50 A 1 ATOM 376 C C . GLU A 1 50 ? 0.952 -2.116 12.708 1.00 94.92 50 A 1 ATOM 377 O O . GLU A 1 50 ? 1.512 -2.730 13.623 1.00 93.43 50 A 1 ATOM 378 C CB . GLU A 1 50 ? 2.295 -0.413 11.359 1.00 90.01 50 A 1 ATOM 379 C CG . GLU A 1 50 ? 3.671 -1.017 11.674 1.00 81.15 50 A 1 ATOM 380 C CD . GLU A 1 50 ? 4.703 -0.774 10.558 1.00 82.44 50 A 1 ATOM 381 O OE1 . GLU A 1 50 ? 5.733 -1.488 10.567 1.00 73.94 50 A 1 ATOM 382 O OE2 . GLU A 1 50 ? 4.461 0.103 9.700 1.00 75.96 50 A 1 ATOM 383 N N . HIS A 1 51 ? 0.048 -2.679 11.903 1.00 95.78 51 A 1 ATOM 384 C CA . HIS A 1 51 ? -0.249 -4.101 11.879 1.00 95.76 51 A 1 ATOM 385 C C . HIS A 1 51 ? -0.336 -4.566 10.431 1.00 96.38 51 A 1 ATOM 386 O O . HIS A 1 51 ? -1.076 -3.989 9.632 1.00 95.39 51 A 1 ATOM 387 C CB . HIS A 1 51 ? -1.549 -4.387 12.632 1.00 93.98 51 A 1 ATOM 388 C CG . HIS A 1 51 ? -1.850 -5.861 12.682 1.00 91.83 51 A 1 ATOM 389 N ND1 . HIS A 1 51 ? -1.121 -6.811 13.391 1.00 79.30 51 A 1 ATOM 390 C CD2 . HIS A 1 51 ? -2.834 -6.494 11.980 1.00 78.91 51 A 1 ATOM 391 C CE1 . HIS A 1 51 ? -1.668 -7.997 13.109 1.00 79.97 51 A 1 ATOM 392 N NE2 . HIS A 1 51 ? -2.707 -7.847 12.269 1.00 82.65 51 A 1 ATOM 393 N N . THR A 1 52 ? 0.432 -5.602 10.087 1.00 96.80 52 A 1 ATOM 394 C CA . THR A 1 52 ? 0.463 -6.163 8.736 1.00 97.19 52 A 1 ATOM 395 C C . THR A 1 52 ? -0.184 -7.537 8.722 1.00 97.42 52 A 1 ATOM 396 O O . THR A 1 52 ? 0.278 -8.453 9.405 1.00 96.51 52 A 1 ATOM 397 C CB . THR A 1 52 ? 1.891 -6.225 8.184 1.00 96.49 52 A 1 ATOM 398 O OG1 . THR A 1 52 ? 2.442 -4.927 8.121 1.00 92.84 52 A 1 ATOM 399 C CG2 . THR A 1 52 ? 1.946 -6.787 6.760 1.00 93.37 52 A 1 ATOM 400 N N . GLU A 1 53 ? -1.211 -7.700 7.869 1.00 97.73 53 A 1 ATOM 401 C CA . GLU A 1 53 ? -1.837 -8.983 7.572 1.00 97.68 53 A 1 ATOM 402 C C . GLU A 1 53 ? -1.264 -9.590 6.290 1.00 98.11 53 A 1 ATOM 403 O O . GLU A 1 53 ? -0.978 -8.900 5.309 1.00 97.78 53 A 1 ATOM 404 C CB . GLU A 1 53 ? -3.362 -8.828 7.470 1.00 96.76 53 A 1 ATOM 405 C CG . GLU A 1 53 ? -4.033 -8.658 8.846 1.00 88.71 53 A 1 ATOM 406 C CD . GLU A 1 53 ? -3.864 -9.885 9.763 1.00 90.15 53 A 1 ATOM 407 O OE1 . GLU A 1 53 ? -4.136 -9.746 10.975 1.00 83.07 53 A 1 ATOM 408 O OE2 . GLU A 1 53 ? -3.451 -10.957 9.263 1.00 84.45 53 A 1 ATOM 409 N N . TRP A 1 54 ? -1.108 -10.922 6.297 1.00 98.22 54 A 1 ATOM 410 C CA . TRP A 1 54 ? -0.565 -11.684 5.175 1.00 98.27 54 A 1 ATOM 411 C C . TRP A 1 54 ? -1.630 -12.581 4.550 1.00 98.31 54 A 1 ATOM 412 O O . TRP A 1 54 ? -2.117 -13.533 5.164 1.00 97.61 54 A 1 ATOM 413 C CB . TRP A 1 54 ? 0.653 -12.489 5.626 1.00 97.91 54 A 1 ATOM 414 C CG . TRP A 1 54 ? 1.866 -11.655 5.906 1.00 97.73 54 A 1 ATOM 415 C CD1 . TRP A 1 54 ? 2.263 -11.218 7.120 1.00 96.48 54 A 1 ATOM 416 C CD2 . TRP A 1 54 ? 2.841 -11.131 4.951 1.00 97.45 54 A 1 ATOM 417 N NE1 . TRP A 1 54 ? 3.421 -10.471 6.990 1.00 95.99 54 A 1 ATOM 418 C CE2 . TRP A 1 54 ? 3.821 -10.390 5.676 1.00 96.75 54 A 1 ATOM 419 C CE3 . TRP A 1 54 ? 2.991 -11.213 3.552 1.00 96.44 54 A 1 ATOM 420 C CZ2 . TRP A 1 54 ? 4.910 -9.767 5.039 1.00 96.07 54 A 1 ATOM 421 C CZ3 . TRP A 1 54 ? 4.080 -10.585 2.908 1.00 96.04 54 A 1 ATOM 422 C CH2 . TRP A 1 54 ? 5.037 -9.869 3.645 1.00 95.38 54 A 1 ATOM 423 N N . HIS A 1 55 ? -1.922 -12.343 3.269 1.00 98.56 55 A 1 ATOM 424 C CA . HIS A 1 55 ? -2.932 -13.068 2.503 1.00 98.59 55 A 1 ATOM 425 C C . HIS A 1 55 ? -2.258 -14.011 1.511 1.00 98.61 55 A 1 ATOM 426 O O . HIS A 1 55 ? -1.473 -13.587 0.662 1.00 98.22 55 A 1 ATOM 427 C CB . HIS A 1 55 ? -3.852 -12.075 1.791 1.00 98.49 55 A 1 ATOM 428 C CG . HIS A 1 55 ? -4.411 -11.033 2.718 1.00 98.45 55 A 1 ATOM 429 N ND1 . HIS A 1 55 ? -5.517 -11.171 3.542 1.00 94.71 55 A 1 ATOM 430 C CD2 . HIS A 1 55 ? -3.857 -9.799 2.935 1.00 95.43 55 A 1 ATOM 431 C CE1 . HIS A 1 55 ? -5.621 -10.029 4.233 1.00 96.00 55 A 1 ATOM 432 N NE2 . HIS A 1 55 ? -4.633 -9.179 3.894 1.00 96.61 55 A 1 ATOM 433 N N . ARG A 1 56 ? -2.601 -15.310 1.564 1.00 98.48 56 A 1 ATOM 434 C CA . ARG A 1 56 ? -2.163 -16.289 0.559 1.00 98.40 56 A 1 ATOM 435 C C . ARG A 1 56 ? -3.033 -16.159 -0.684 1.00 98.59 56 A 1 ATOM 436 O O . ARG A 1 56 ? -4.231 -16.433 -0.626 1.00 98.34 56 A 1 ATOM 437 C CB . ARG A 1 56 ? -2.220 -17.710 1.116 1.00 97.68 56 A 1 ATOM 438 C CG . ARG A 1 56 ? -1.314 -17.880 2.346 1.00 91.85 56 A 1 ATOM 439 C CD . ARG A 1 56 ? -1.238 -19.341 2.779 1.00 88.52 56 A 1 ATOM 440 N NE . ARG A 1 56 ? -0.466 -20.142 1.807 1.00 79.33 56 A 1 ATOM 441 C CZ . ARG A 1 56 ? 0.062 -21.332 2.023 1.00 71.80 56 A 1 ATOM 442 N NH1 . ARG A 1 56 ? -0.138 -21.979 3.133 1.00 64.73 56 A 1 ATOM 443 N NH2 . ARG A 1 56 ? 0.813 -21.885 1.111 1.00 63.17 56 A 1 ATOM 444 N N . VAL A 1 57 ? -2.438 -15.775 -1.800 1.00 98.60 57 A 1 ATOM 445 C CA . VAL A 1 57 ? -3.138 -15.528 -3.061 1.00 98.66 57 A 1 ATOM 446 C C . VAL A 1 57 ? -2.850 -16.646 -4.052 1.00 98.63 57 A 1 ATOM 447 O O . VAL A 1 57 ? -1.715 -17.107 -4.180 1.00 98.30 57 A 1 ATOM 448 C CB . VAL A 1 57 ? -2.777 -14.143 -3.625 1.00 98.54 57 A 1 ATOM 449 C CG1 . VAL A 1 57 ? -3.438 -13.889 -4.986 1.00 97.97 57 A 1 ATOM 450 C CG2 . VAL A 1 57 ? -3.236 -13.042 -2.662 1.00 97.91 57 A 1 ATOM 451 N N . VAL A 1 58 ? -3.897 -17.070 -4.776 1.00 98.63 58 A 1 ATOM 452 C CA . VAL A 1 58 ? -3.828 -18.058 -5.854 1.00 98.61 58 A 1 ATOM 453 C C . VAL A 1 58 ? -4.456 -17.467 -7.113 1.00 98.69 58 A 1 ATOM 454 O O . VAL A 1 58 ? -5.636 -17.116 -7.119 1.00 98.44 58 A 1 ATOM 455 C CB . VAL A 1 58 ? -4.528 -19.376 -5.463 1.00 98.28 58 A 1 ATOM 456 C CG1 . VAL A 1 58 ? -4.345 -20.444 -6.549 1.00 96.99 58 A 1 ATOM 457 C CG2 . VAL A 1 58 ? -3.992 -19.947 -4.142 1.00 96.95 58 A 1 ATOM 458 N N . LEU A 1 59 ? -3.677 -17.404 -8.201 1.00 98.66 59 A 1 ATOM 459 C CA . LEU A 1 59 ? -4.140 -17.066 -9.547 1.00 98.66 59 A 1 ATOM 460 C C . LEU A 1 59 ? -4.096 -18.308 -10.438 1.00 98.63 59 A 1 ATOM 461 O O . LEU A 1 59 ? -3.296 -19.217 -10.213 1.00 98.25 59 A 1 ATOM 462 C CB . LEU A 1 59 ? -3.290 -15.936 -10.155 1.00 98.43 59 A 1 ATOM 463 C CG . LEU A 1 59 ? -3.175 -14.657 -9.317 1.00 97.42 59 A 1 ATOM 464 C CD1 . LEU A 1 59 ? -2.287 -13.654 -10.051 1.00 95.32 59 A 1 ATOM 465 C CD2 . LEU A 1 59 ? -4.536 -14.006 -9.088 1.00 95.25 59 A 1 ATOM 466 N N . LYS A 1 60 ? -4.941 -18.348 -11.475 1.00 98.28 60 A 1 ATOM 467 C CA . LYS A 1 60 ? -4.991 -19.455 -12.441 1.00 98.11 60 A 1 ATOM 468 C C . LYS A 1 60 ? -5.048 -18.954 -13.880 1.00 98.22 60 A 1 ATOM 469 O O . LYS A 1 60 ? -5.550 -17.863 -14.142 1.00 97.65 60 A 1 ATOM 470 C CB . LYS A 1 60 ? -6.175 -20.386 -12.139 1.00 96.94 60 A 1 ATOM 471 C CG . LYS A 1 60 ? -6.022 -21.095 -10.786 1.00 90.45 60 A 1 ATOM 472 C CD . LYS A 1 60 ? -7.153 -22.101 -10.565 1.00 88.08 60 A 1 ATOM 473 C CE . LYS A 1 60 ? -6.955 -22.759 -9.198 1.00 77.41 60 A 1 ATOM 474 N NZ . LYS A 1 60 ? -8.058 -23.692 -8.873 1.00 70.29 60 A 1 ATOM 475 N N . GLY A 1 61 ? -4.580 -19.804 -14.817 1.00 97.92 61 A 1 ATOM 476 C CA . GLY A 1 61 ? -4.635 -19.537 -16.250 1.00 97.83 61 A 1 ATOM 477 C C . GLY A 1 61 ? -3.840 -18.292 -16.631 1.00 98.07 61 A 1 ATOM 478 O O . GLY A 1 61 ? -2.735 -18.086 -16.128 1.00 97.23 61 A 1 ATOM 479 N N . ARG A 1 62 ? -4.415 -17.445 -17.481 1.00 97.75 62 A 1 ATOM 480 C CA . ARG A 1 62 ? -3.727 -16.255 -18.010 1.00 97.58 62 A 1 ATOM 481 C C . ARG A 1 62 ? -3.262 -15.283 -16.920 1.00 97.81 62 A 1 ATOM 482 O O . ARG A 1 62 ? -2.177 -14.724 -17.038 1.00 96.88 62 A 1 ATOM 483 C CB . ARG A 1 62 ? -4.631 -15.562 -19.040 1.00 96.82 62 A 1 ATOM 484 C CG . ARG A 1 62 ? -3.945 -14.399 -19.781 1.00 86.94 62 A 1 ATOM 485 C CD . ARG A 1 62 ? -2.661 -14.850 -20.482 1.00 81.32 62 A 1 ATOM 486 N NE . ARG A 1 62 ? -1.961 -13.755 -21.161 1.00 69.90 62 A 1 ATOM 487 C CZ . ARG A 1 62 ? -0.697 -13.792 -21.545 1.00 60.21 62 A 1 ATOM 488 N NH1 . ARG A 1 62 ? 0.056 -14.846 -21.369 1.00 54.06 62 A 1 ATOM 489 N NH2 . ARG A 1 62 ? -0.151 -12.749 -22.110 1.00 52.13 62 A 1 ATOM 490 N N . LEU A 1 63 ? -4.039 -15.101 -15.840 1.00 97.62 63 A 1 ATOM 491 C CA . LEU A 1 63 ? -3.626 -14.239 -14.722 1.00 97.79 63 A 1 ATOM 492 C C . LEU A 1 63 ? -2.374 -14.771 -14.013 1.00 98.16 63 A 1 ATOM 493 O O . LEU A 1 63 ? -1.534 -13.983 -13.595 1.00 97.57 63 A 1 ATOM 494 C CB . LEU A 1 63 ? -4.769 -14.092 -13.710 1.00 96.89 63 A 1 ATOM 495 C CG . LEU A 1 63 ? -5.958 -13.241 -14.186 1.00 93.98 63 A 1 ATOM 496 C CD1 . LEU A 1 63 ? -7.037 -13.260 -13.104 1.00 90.66 63 A 1 ATOM 497 C CD2 . LEU A 1 63 ? -5.565 -11.788 -14.455 1.00 90.61 63 A 1 ATOM 498 N N . ALA A 1 64 ? -2.224 -16.092 -13.897 1.00 98.26 64 A 1 ATOM 499 C CA . ALA A 1 64 ? -1.033 -16.703 -13.314 1.00 98.40 64 A 1 ATOM 500 C C . ALA A 1 64 ? 0.211 -16.480 -14.185 1.00 98.33 64 A 1 ATOM 501 O O . ALA A 1 64 ? 1.274 -16.168 -13.658 1.00 97.98 64 A 1 ATOM 502 C CB . ALA A 1 64 ? -1.296 -18.195 -13.090 1.00 98.31 64 A 1 ATOM 503 N N . GLU A 1 65 ? 0.073 -16.592 -15.513 1.00 98.41 65 A 1 ATOM 504 C CA . GLU A 1 65 ? 1.164 -16.326 -16.462 1.00 98.15 65 A 1 ATOM 505 C C . GLU A 1 65 ? 1.620 -14.864 -16.386 1.00 97.98 65 A 1 ATOM 506 O O . GLU A 1 65 ? 2.804 -14.598 -16.207 1.00 97.20 65 A 1 ATOM 507 C CB . GLU A 1 65 ? 0.705 -16.637 -17.890 1.00 97.73 65 A 1 ATOM 508 C CG . GLU A 1 65 ? 0.375 -18.116 -18.129 1.00 95.72 65 A 1 ATOM 509 C CD . GLU A 1 65 ? -0.359 -18.351 -19.456 1.00 93.79 65 A 1 ATOM 510 O OE1 . GLU A 1 65 ? -0.743 -19.520 -19.688 1.00 87.18 65 A 1 ATOM 511 O OE2 . GLU A 1 65 ? -0.619 -17.368 -20.193 1.00 89.01 65 A 1 ATOM 512 N N . VAL A 1 66 ? 0.662 -13.919 -16.436 1.00 97.77 66 A 1 ATOM 513 C CA . VAL A 1 66 ? 0.943 -12.476 -16.317 1.00 97.53 66 A 1 ATOM 514 C C . VAL A 1 66 ? 1.606 -12.152 -14.975 1.00 97.65 66 A 1 ATOM 515 O O . VAL A 1 66 ? 2.569 -11.394 -14.930 1.00 96.99 66 A 1 ATOM 516 C CB . VAL A 1 66 ? -0.352 -11.661 -16.510 1.00 97.01 66 A 1 ATOM 517 C CG1 . VAL A 1 66 ? -0.169 -10.164 -16.232 1.00 95.40 66 A 1 ATOM 518 C CG2 . VAL A 1 66 ? -0.869 -11.785 -17.951 1.00 95.49 66 A 1 ATOM 519 N N . ALA A 1 67 ? 1.136 -12.753 -13.874 1.00 97.58 67 A 1 ATOM 520 C CA . ALA A 1 67 ? 1.755 -12.560 -12.567 1.00 97.47 67 A 1 ATOM 521 C C . ALA A 1 67 ? 3.216 -13.036 -12.541 1.00 97.26 67 A 1 ATOM 522 O O . ALA A 1 67 ? 4.070 -12.330 -12.020 1.00 96.83 67 A 1 ATOM 523 C CB . ALA A 1 67 ? 0.918 -13.275 -11.504 1.00 97.48 67 A 1 ATOM 524 N N . GLY A 1 68 ? 3.518 -14.201 -13.130 1.00 97.68 68 A 1 ATOM 525 C CA . GLY A 1 68 ? 4.886 -14.724 -13.200 1.00 97.31 68 A 1 ATOM 526 C C . GLY A 1 68 ? 5.830 -13.904 -14.078 1.00 97.08 68 A 1 ATOM 527 O O . GLY A 1 68 ? 7.025 -13.845 -13.797 1.00 95.88 68 A 1 ATOM 528 N N . GLU A 1 69 ? 5.304 -13.247 -15.116 1.00 97.40 69 A 1 ATOM 529 C CA . GLU A 1 69 ? 6.102 -12.437 -16.042 1.00 96.69 69 A 1 ATOM 530 C C . GLU A 1 69 ? 6.396 -11.028 -15.499 1.00 96.29 69 A 1 ATOM 531 O O . GLU A 1 69 ? 7.511 -10.527 -15.638 1.00 94.15 69 A 1 ATOM 532 C CB . GLU A 1 69 ? 5.361 -12.393 -17.388 1.00 95.45 69 A 1 ATOM 533 C CG . GLU A 1 69 ? 6.196 -11.778 -18.519 1.00 82.67 69 A 1 ATOM 534 C CD . GLU A 1 69 ? 5.461 -11.765 -19.879 1.00 79.78 69 A 1 ATOM 535 O OE1 . GLU A 1 69 ? 6.065 -11.261 -20.856 1.00 72.54 69 A 1 ATOM 536 O OE2 . GLU A 1 69 ? 4.283 -12.186 -19.955 1.00 72.74 69 A 1 ATOM 537 N N . TYR A 1 70 ? 5.399 -10.397 -14.857 1.00 96.63 70 A 1 ATOM 538 C CA . TYR A 1 70 ? 5.459 -8.962 -14.540 1.00 95.78 70 A 1 ATOM 539 C C . TYR A 1 70 ? 5.535 -8.631 -13.048 1.00 95.86 70 A 1 ATOM 540 O O . TYR A 1 70 ? 5.985 -7.534 -12.700 1.00 94.10 70 A 1 ATOM 541 C CB . TYR A 1 70 ? 4.262 -8.254 -15.179 1.00 95.08 70 A 1 ATOM 542 C CG . TYR A 1 70 ? 4.230 -8.331 -16.696 1.00 94.95 70 A 1 ATOM 543 C CD1 . TYR A 1 70 ? 5.050 -7.482 -17.466 1.00 90.44 70 A 1 ATOM 544 C CD2 . TYR A 1 70 ? 3.418 -9.281 -17.333 1.00 91.08 70 A 1 ATOM 545 C CE1 . TYR A 1 70 ? 5.080 -7.608 -18.870 1.00 89.50 70 A 1 ATOM 546 C CE2 . TYR A 1 70 ? 3.452 -9.421 -18.735 1.00 89.52 70 A 1 ATOM 547 C CZ . TYR A 1 70 ? 4.295 -8.595 -19.502 1.00 91.30 70 A 1 ATOM 548 O OH . TYR A 1 70 ? 4.375 -8.782 -20.844 1.00 89.46 70 A 1 ATOM 549 N N . LEU A 1 71 ? 5.076 -9.510 -12.147 1.00 95.88 71 A 1 ATOM 550 C CA . LEU A 1 71 ? 5.127 -9.236 -10.715 1.00 96.26 71 A 1 ATOM 551 C C . LEU A 1 71 ? 6.467 -9.654 -10.116 1.00 96.36 71 A 1 ATOM 552 O O . LEU A 1 71 ? 7.072 -10.649 -10.504 1.00 95.90 71 A 1 ATOM 553 C CB . LEU A 1 71 ? 3.959 -9.888 -9.964 1.00 96.50 71 A 1 ATOM 554 C CG . LEU A 1 71 ? 2.557 -9.425 -10.385 1.00 96.24 71 A 1 ATOM 555 C CD1 . LEU A 1 71 ? 1.522 -10.091 -9.477 1.00 94.66 71 A 1 ATOM 556 C CD2 . LEU A 1 71 ? 2.375 -7.911 -10.270 1.00 94.68 71 A 1 ATOM 557 N N . LYS A 1 72 ? 6.899 -8.888 -9.109 1.00 96.44 72 A 1 ATOM 558 C CA . LYS A 1 72 ? 8.101 -9.138 -8.312 1.00 95.98 72 A 1 ATOM 559 C C . LYS A 1 72 ? 7.794 -8.880 -6.846 1.00 96.78 72 A 1 ATOM 560 O O . LYS A 1 72 ? 6.809 -8.213 -6.518 1.00 95.97 72 A 1 ATOM 561 C CB . LYS A 1 72 ? 9.248 -8.236 -8.793 1.00 93.66 72 A 1 ATOM 562 C CG . LYS A 1 72 ? 9.597 -8.478 -10.267 1.00 86.21 72 A 1 ATOM 563 C CD . LYS A 1 72 ? 10.784 -7.619 -10.704 1.00 78.06 72 A 1 ATOM 564 C CE . LYS A 1 72 ? 11.013 -7.869 -12.195 1.00 67.12 72 A 1 ATOM 565 N NZ . LYS A 1 72 ? 12.140 -7.066 -12.725 1.00 55.27 72 A 1 ATOM 566 N N . LYS A 1 73 ? 8.659 -9.335 -5.962 1.00 95.09 73 A 1 ATOM 567 C CA . LYS A 1 73 ? 8.637 -8.930 -4.556 1.00 95.43 73 A 1 ATOM 568 C C . LYS A 1 73 ? 8.541 -7.402 -4.442 1.00 94.97 73 A 1 ATOM 569 O O . LYS A 1 73 ? 9.302 -6.680 -5.086 1.00 93.60 73 A 1 ATOM 570 C CB . LYS A 1 73 ? 9.885 -9.477 -3.852 1.00 95.25 73 A 1 ATOM 571 C CG . LYS A 1 73 ? 9.892 -9.092 -2.368 1.00 94.50 73 A 1 ATOM 572 C CD . LYS A 1 73 ? 11.092 -9.687 -1.637 1.00 92.52 73 A 1 ATOM 573 C CE . LYS A 1 73 ? 11.023 -9.244 -0.171 1.00 86.26 73 A 1 ATOM 574 N NZ . LYS A 1 73 ? 12.141 -9.806 0.620 1.00 80.18 73 A 1 ATOM 575 N N . GLY A 1 74 ? 7.611 -6.922 -3.611 1.00 95.61 74 A 1 ATOM 576 C CA . GLY A 1 74 ? 7.342 -5.496 -3.410 1.00 94.54 74 A 1 ATOM 577 C C . GLY A 1 74 ? 6.383 -4.863 -4.425 1.00 94.80 74 A 1 ATOM 578 O O . GLY A 1 74 ? 5.932 -3.744 -4.186 1.00 93.68 74 A 1 ATOM 579 N N . SER A 1 75 ? 6.014 -5.549 -5.521 1.00 95.31 75 A 1 ATOM 580 C CA . SER A 1 75 ? 5.030 -5.031 -6.481 1.00 95.32 75 A 1 ATOM 581 C C . SER A 1 75 ? 3.692 -4.772 -5.797 1.00 95.91 75 A 1 ATOM 582 O O . SER A 1 75 ? 3.191 -5.638 -5.075 1.00 95.86 75 A 1 ATOM 583 C CB . SER A 1 75 ? 4.800 -6.004 -7.644 1.00 94.82 75 A 1 ATOM 584 O OG . SER A 1 75 ? 5.978 -6.160 -8.410 1.00 91.67 75 A 1 ATOM 585 N N . GLN A 1 76 ? 3.093 -3.595 -6.044 1.00 96.35 76 A 1 ATOM 586 C CA . GLN A 1 76 ? 1.767 -3.252 -5.533 1.00 96.47 76 A 1 ATOM 587 C C . GLN A 1 76 ? 0.685 -3.744 -6.495 1.00 96.77 76 A 1 ATOM 588 O O . GLN A 1 76 ? 0.750 -3.495 -7.701 1.00 96.31 76 A 1 ATOM 589 C CB . GLN A 1 76 ? 1.667 -1.744 -5.287 1.00 95.63 76 A 1 ATOM 590 C CG . GLN A 1 76 ? 0.423 -1.395 -4.453 1.00 93.33 76 A 1 ATOM 591 C CD . GLN A 1 76 ? 0.340 0.096 -4.150 1.00 91.89 76 A 1 ATOM 592 O OE1 . GLN A 1 76 ? 0.571 0.949 -4.995 1.00 85.34 76 A 1 ATOM 593 N NE2 . GLN A 1 76 ? 0.008 0.471 -2.938 1.00 83.41 76 A 1 ATOM 594 N N . VAL A 1 77 ? -0.328 -4.420 -5.948 1.00 97.13 77 A 1 ATOM 595 C CA . VAL A 1 77 ? -1.419 -5.024 -6.715 1.00 97.58 77 A 1 ATOM 596 C C . VAL A 1 77 ? -2.778 -4.733 -6.094 1.00 97.74 77 A 1 ATOM 597 O O . VAL A 1 77 ? -2.922 -4.668 -4.873 1.00 97.54 77 A 1 ATOM 598 C CB . VAL A 1 77 ? -1.228 -6.545 -6.891 1.00 97.50 77 A 1 ATOM 599 C CG1 . VAL A 1 77 ? -0.026 -6.850 -7.789 1.00 96.66 77 A 1 ATOM 600 C CG2 . VAL A 1 77 ? -1.055 -7.293 -5.562 1.00 95.99 77 A 1 ATOM 601 N N . TYR A 1 78 ? -3.780 -4.601 -6.956 1.00 97.87 78 A 1 ATOM 602 C CA . TYR A 1 78 ? -5.195 -4.735 -6.650 1.00 98.18 78 A 1 ATOM 603 C C . TYR A 1 78 ? -5.654 -6.134 -7.051 1.00 98.25 78 A 1 ATOM 604 O O . TYR A 1 78 ? -5.332 -6.603 -8.148 1.00 98.04 78 A 1 ATOM 605 C CB . TYR A 1 78 ? -5.980 -3.662 -7.393 1.00 98.15 78 A 1 ATOM 606 C CG . TYR A 1 78 ? -7.485 -3.793 -7.274 1.00 98.08 78 A 1 ATOM 607 C CD1 . TYR A 1 78 ? -8.208 -4.589 -8.187 1.00 97.17 78 A 1 ATOM 608 C CD2 . TYR A 1 78 ? -8.161 -3.111 -6.253 1.00 97.08 78 A 1 ATOM 609 C CE1 . TYR A 1 78 ? -9.606 -4.692 -8.081 1.00 96.59 78 A 1 ATOM 610 C CE2 . TYR A 1 78 ? -9.560 -3.209 -6.144 1.00 96.63 78 A 1 ATOM 611 C CZ . TYR A 1 78 ? -10.283 -3.998 -7.061 1.00 96.95 78 A 1 ATOM 612 O OH . TYR A 1 78 ? -11.636 -4.074 -6.959 1.00 95.92 78 A 1 ATOM 613 N N . LEU A 1 79 ? -6.415 -6.803 -6.185 1.00 98.35 79 A 1 ATOM 614 C CA . LEU A 1 79 ? -6.892 -8.167 -6.379 1.00 98.50 79 A 1 ATOM 615 C C . LEU A 1 79 ? -8.366 -8.272 -5.999 1.00 98.63 79 A 1 ATOM 616 O O . LEU A 1 79 ? -8.761 -7.821 -4.924 1.00 98.33 79 A 1 ATOM 617 C CB . LEU A 1 79 ? -6.059 -9.128 -5.518 1.00 98.25 79 A 1 ATOM 618 C CG . LEU A 1 79 ? -4.570 -9.208 -5.883 1.00 97.86 79 A 1 ATOM 619 C CD1 . LEU A 1 79 ? -3.811 -9.944 -4.785 1.00 96.65 79 A 1 ATOM 620 C CD2 . LEU A 1 79 ? -4.348 -9.958 -7.198 1.00 96.61 79 A 1 ATOM 621 N N . GLU A 1 80 ? -9.166 -8.948 -6.834 1.00 98.40 80 A 1 ATOM 622 C CA . GLU A 1 80 ? -10.496 -9.423 -6.459 1.00 98.45 80 A 1 ATOM 623 C C . GLU A 1 80 ? -10.567 -10.945 -6.511 1.00 98.51 80 A 1 ATOM 624 O O . GLU A 1 80 ? -10.062 -11.589 -7.433 1.00 97.89 80 A 1 ATOM 625 C CB . GLU A 1 80 ? -11.617 -8.832 -7.321 1.00 97.92 80 A 1 ATOM 626 C CG . GLU A 1 80 ? -11.716 -7.311 -7.289 1.00 94.69 80 A 1 ATOM 627 C CD . GLU A 1 80 ? -13.077 -6.786 -7.768 1.00 94.39 80 A 1 ATOM 628 O OE1 . GLU A 1 80 ? -13.283 -5.562 -7.748 1.00 88.62 80 A 1 ATOM 629 O OE2 . GLU A 1 80 ? -14.025 -7.596 -7.955 1.00 90.11 80 A 1 ATOM 630 N N . GLY A 1 81 ? -11.229 -11.533 -5.525 1.00 98.46 81 A 1 ATOM 631 C CA . GLY A 1 81 ? -11.340 -12.977 -5.430 1.00 98.42 81 A 1 ATOM 632 C C . GLY A 1 81 ? -12.357 -13.455 -4.409 1.00 98.54 81 A 1 ATOM 633 O O . GLY A 1 81 ? -13.270 -12.740 -4.000 1.00 98.11 81 A 1 ATOM 634 N N . SER A 1 82 ? -12.201 -14.721 -4.012 1.00 98.42 82 A 1 ATOM 635 C CA . SER A 1 82 ? -13.018 -15.368 -2.992 1.00 98.37 82 A 1 ATOM 636 C C . SER A 1 82 ? -12.163 -16.215 -2.060 1.00 98.49 82 A 1 ATOM 637 O O . SER A 1 82 ? -11.198 -16.853 -2.503 1.00 97.99 82 A 1 ATOM 638 C CB . SER A 1 82 ? -14.124 -16.211 -3.635 1.00 97.51 82 A 1 ATOM 639 O OG . SER A 1 82 ? -13.596 -17.272 -4.417 1.00 93.62 82 A 1 ATOM 640 N N . ASN A 1 83 ? -12.543 -16.275 -0.781 1.00 98.42 83 A 1 ATOM 641 C CA . ASN A 1 83 ? -11.884 -17.148 0.183 1.00 98.29 83 A 1 ATOM 642 C C . ASN A 1 83 ? -12.199 -18.622 -0.105 1.00 98.42 83 A 1 ATOM 643 O O . ASN A 1 83 ? -13.353 -19.015 -0.314 1.00 97.98 83 A 1 ATOM 644 C CB . ASN A 1 83 ? -12.277 -16.749 1.616 1.00 97.43 83 A 1 ATOM 645 C CG . ASN A 1 83 ? -11.477 -15.558 2.120 1.00 92.45 83 A 1 ATOM 646 O OD1 . ASN A 1 83 ? -10.371 -15.305 1.686 1.00 83.64 83 A 1 ATOM 647 N ND2 . ASN A 1 83 ? -11.998 -14.813 3.066 1.00 82.19 83 A 1 ATOM 648 N N . ARG A 1 84 ? -11.157 -19.455 -0.075 1.00 98.31 84 A 1 ATOM 649 C CA . ARG A 1 84 ? -11.245 -20.913 -0.171 1.00 98.20 84 A 1 ATOM 650 C C . ARG A 1 84 ? -10.394 -21.529 0.932 1.00 98.32 84 A 1 ATOM 651 O O . ARG A 1 84 ? -9.184 -21.350 0.952 1.00 97.54 84 A 1 ATOM 652 C CB . ARG A 1 84 ? -10.779 -21.385 -1.555 1.00 97.47 84 A 1 ATOM 653 C CG . ARG A 1 84 ? -11.654 -20.892 -2.721 1.00 90.40 84 A 1 ATOM 654 C CD . ARG A 1 84 ? -13.075 -21.469 -2.662 1.00 87.22 84 A 1 ATOM 655 N NE . ARG A 1 84 ? -13.878 -21.009 -3.805 1.00 80.09 84 A 1 ATOM 656 C CZ . ARG A 1 84 ? -15.065 -21.471 -4.166 1.00 71.82 84 A 1 ATOM 657 N NH1 . ARG A 1 84 ? -15.657 -22.444 -3.524 1.00 67.96 84 A 1 ATOM 658 N NH2 . ARG A 1 84 ? -15.679 -20.956 -5.193 1.00 66.01 84 A 1 ATOM 659 N N . THR A 1 85 ? -11.031 -22.285 1.814 1.00 97.82 85 A 1 ATOM 660 C CA . THR A 1 85 ? -10.325 -23.036 2.852 1.00 97.51 85 A 1 ATOM 661 C C . THR A 1 85 ? -10.195 -24.488 2.415 1.00 97.11 85 A 1 ATOM 662 O O . THR A 1 85 ? -11.202 -25.164 2.191 1.00 95.86 85 A 1 ATOM 663 C CB . THR A 1 85 ? -11.024 -22.906 4.211 1.00 96.86 85 A 1 ATOM 664 O OG1 . THR A 1 85 ? -11.151 -21.537 4.533 1.00 92.93 85 A 1 ATOM 665 C CG2 . THR A 1 85 ? -10.220 -23.563 5.333 1.00 92.17 85 A 1 ATOM 666 N N . ARG A 1 86 ? -8.950 -24.973 2.295 1.00 96.41 86 A 1 ATOM 667 C CA . ARG A 1 86 ? -8.676 -26.396 2.090 1.00 95.01 86 A 1 ATOM 668 C C . ARG A 1 86 ? -8.302 -27.048 3.415 1.00 96.11 86 A 1 ATOM 669 O O . ARG A 1 86 ? -7.585 -26.466 4.230 1.00 95.62 86 A 1 ATOM 670 C CB . ARG A 1 86 ? -7.632 -26.632 0.984 1.00 91.92 86 A 1 ATOM 671 C CG . ARG A 1 86 ? -6.215 -26.150 1.326 1.00 85.85 86 A 1 ATOM 672 C CD . ARG A 1 86 ? -5.199 -26.759 0.364 1.00 84.43 86 A 1 ATOM 673 N NE . ARG A 1 86 ? -3.830 -26.292 0.672 1.00 75.74 86 A 1 ATOM 674 C CZ . ARG A 1 86 ? -3.267 -25.226 0.145 1.00 72.02 86 A 1 ATOM 675 N NH1 . ARG A 1 86 ? -3.850 -24.558 -0.789 1.00 66.74 86 A 1 ATOM 676 N NH2 . ARG A 1 86 ? -2.119 -24.800 0.568 1.00 63.95 86 A 1 ATOM 677 N N . LYS A 1 87 ? -8.751 -28.287 3.588 1.00 95.18 87 A 1 ATOM 678 C CA . LYS A 1 87 ? -8.321 -29.199 4.644 1.00 95.19 87 A 1 ATOM 679 C C . LYS A 1 87 ? -7.230 -30.113 4.080 1.00 95.18 87 A 1 ATOM 680 O O . LYS A 1 87 ? -7.378 -30.630 2.974 1.00 94.05 87 A 1 ATOM 681 C CB . LYS A 1 87 ? -9.548 -29.976 5.139 1.00 94.22 87 A 1 ATOM 682 C CG . LYS A 1 87 ? -9.232 -30.910 6.312 1.00 89.97 87 A 1 ATOM 683 C CD . LYS A 1 87 ? -10.503 -31.654 6.752 1.00 88.14 87 A 1 ATOM 684 C CE . LYS A 1 87 ? -10.111 -32.630 7.857 1.00 80.29 87 A 1 ATOM 685 N NZ . LYS A 1 87 ? -11.243 -33.373 8.439 1.00 74.57 87 A 1 ATOM 686 N N . TRP A 1 88 ? -6.146 -30.312 4.833 1.00 95.94 88 A 1 ATOM 687 C CA . TRP A 1 88 ? -5.068 -31.238 4.487 1.00 95.15 88 A 1 ATOM 688 C C . TRP A 1 88 ? -4.469 -31.841 5.757 1.00 96.02 88 A 1 ATOM 689 O O . TRP A 1 88 ? -4.606 -31.285 6.845 1.00 95.56 88 A 1 ATOM 690 C CB . TRP A 1 88 ? -4.012 -30.516 3.642 1.00 94.05 88 A 1 ATOM 691 C CG . TRP A 1 88 ? -3.308 -29.369 4.303 1.00 93.43 88 A 1 ATOM 692 C CD1 . TRP A 1 88 ? -3.767 -28.099 4.406 1.00 91.32 88 A 1 ATOM 693 C CD2 . TRP A 1 88 ? -2.003 -29.367 4.968 1.00 93.41 88 A 1 ATOM 694 N NE1 . TRP A 1 88 ? -2.853 -27.317 5.083 1.00 88.35 88 A 1 ATOM 695 C CE2 . TRP A 1 88 ? -1.746 -28.048 5.450 1.00 91.21 88 A 1 ATOM 696 C CE3 . TRP A 1 88 ? -1.025 -30.357 5.207 1.00 89.75 88 A 1 ATOM 697 C CZ2 . TRP A 1 88 ? -0.563 -27.726 6.142 1.00 87.73 88 A 1 ATOM 698 C CZ3 . TRP A 1 88 ? 0.160 -30.041 5.899 1.00 87.42 88 A 1 ATOM 699 C CH2 . TRP A 1 88 ? 0.391 -28.736 6.366 1.00 86.38 88 A 1 ATOM 700 N N . THR A 1 89 ? -3.814 -33.001 5.619 1.00 95.85 89 A 1 ATOM 701 C CA . THR A 1 89 ? -3.186 -33.712 6.736 1.00 95.74 89 A 1 ATOM 702 C C . THR A 1 89 ? -1.673 -33.559 6.631 1.00 95.59 89 A 1 ATOM 703 O O . THR A 1 89 ? -1.112 -33.755 5.552 1.00 94.69 89 A 1 ATOM 704 C CB . THR A 1 89 ? -3.611 -35.186 6.745 1.00 95.15 89 A 1 ATOM 705 O OG1 . THR A 1 89 ? -5.021 -35.284 6.667 1.00 90.07 89 A 1 ATOM 706 C CG2 . THR A 1 89 ? -3.202 -35.895 8.029 1.00 88.27 89 A 1 ATOM 707 N N . ASP A 1 90 ? -1.022 -33.164 7.729 1.00 95.48 90 A 1 ATOM 708 C CA . ASP A 1 90 ? 0.435 -33.052 7.772 1.00 94.76 90 A 1 ATOM 709 C C . ASP A 1 90 ? 1.122 -34.419 7.963 1.00 95.35 90 A 1 ATOM 710 O O . ASP A 1 90 ? 0.479 -35.460 8.132 1.00 94.65 90 A 1 ATOM 711 C CB . ASP A 1 90 ? 0.868 -31.966 8.782 1.00 93.00 90 A 1 ATOM 712 C CG . ASP A 1 90 ? 0.649 -32.289 10.265 1.00 90.47 90 A 1 ATOM 713 O OD1 . ASP A 1 90 ? 0.537 -33.482 10.612 1.00 84.75 90 A 1 ATOM 714 O OD2 . ASP A 1 90 ? 0.635 -31.308 11.064 1.00 85.23 90 A 1 ATOM 715 N N . ASN A 1 91 ? 2.469 -34.434 7.953 1.00 96.27 91 A 1 ATOM 716 C CA . ASN A 1 91 ? 3.269 -35.656 8.117 1.00 95.85 91 A 1 ATOM 717 C C . ASN A 1 91 ? 3.077 -36.330 9.491 1.00 96.22 91 A 1 ATOM 718 O O . ASN A 1 91 ? 3.459 -37.485 9.658 1.00 94.20 91 A 1 ATOM 719 C CB . ASN A 1 91 ? 4.756 -35.318 7.900 1.00 94.15 91 A 1 ATOM 720 C CG . ASN A 1 91 ? 5.099 -34.885 6.485 1.00 86.85 91 A 1 ATOM 721 O OD1 . ASN A 1 91 ? 4.292 -34.861 5.578 1.00 76.49 91 A 1 ATOM 722 N ND2 . ASN A 1 91 ? 6.340 -34.506 6.258 1.00 77.39 91 A 1 ATOM 723 N N . GLN A 1 92 ? 2.505 -35.629 10.462 1.00 96.61 92 A 1 ATOM 724 C CA . GLN A 1 92 ? 2.191 -36.127 11.804 1.00 96.48 92 A 1 ATOM 725 C C . GLN A 1 92 ? 0.734 -36.612 11.912 1.00 96.99 92 A 1 ATOM 726 O O . GLN A 1 92 ? 0.264 -36.891 13.008 1.00 95.75 92 A 1 ATOM 727 C CB . GLN A 1 92 ? 2.509 -35.037 12.841 1.00 95.91 92 A 1 ATOM 728 C CG . GLN A 1 92 ? 3.998 -34.661 12.873 1.00 91.81 92 A 1 ATOM 729 C CD . GLN A 1 92 ? 4.313 -33.558 13.883 1.00 82.44 92 A 1 ATOM 730 O OE1 . GLN A 1 92 ? 3.469 -32.794 14.323 1.00 75.91 92 A 1 ATOM 731 N NE2 . GLN A 1 92 ? 5.553 -33.416 14.291 1.00 71.91 92 A 1 ATOM 732 N N . GLN A 1 93 ? 0.018 -36.732 10.775 1.00 96.41 93 A 1 ATOM 733 C CA . GLN A 1 93 ? -1.402 -37.105 10.695 1.00 96.76 93 A 1 ATOM 734 C C . GLN A 1 93 ? -2.351 -36.098 11.377 1.00 97.11 93 A 1 ATOM 735 O O . GLN A 1 93 ? -3.483 -36.433 11.713 1.00 96.12 93 A 1 ATOM 736 C CB . GLN A 1 93 ? -1.626 -38.559 11.158 1.00 96.16 93 A 1 ATOM 737 C CG . GLN A 1 93 ? -0.797 -39.591 10.370 1.00 93.06 93 A 1 ATOM 738 C CD . GLN A 1 93 ? -1.186 -39.624 8.894 1.00 84.78 93 A 1 ATOM 739 O OE1 . GLN A 1 93 ? -2.337 -39.785 8.525 1.00 78.42 93 A 1 ATOM 740 N NE2 . GLN A 1 93 ? -0.250 -39.480 7.985 1.00 75.48 93 A 1 ATOM 741 N N . ILE A 1 94 ? -1.907 -34.848 11.550 1.00 96.08 94 A 1 ATOM 742 C CA . ILE A 1 94 ? -2.718 -33.776 12.125 1.00 96.13 94 A 1 ATOM 743 C C . ILE A 1 94 ? -3.455 -33.048 10.998 1.00 96.25 94 A 1 ATOM 744 O O . ILE A 1 94 ? -2.864 -32.624 10.000 1.00 95.24 94 A 1 ATOM 745 C CB . ILE A 1 94 ? -1.869 -32.822 12.996 1.00 95.48 94 A 1 ATOM 746 C CG1 . ILE A 1 94 ? -1.146 -33.610 14.117 1.00 93.00 94 A 1 ATOM 747 C CG2 . ILE A 1 94 ? -2.753 -31.710 13.593 1.00 92.55 94 A 1 ATOM 748 C CD1 . ILE A 1 94 ? -0.174 -32.776 14.957 1.00 85.45 94 A 1 ATOM 749 N N . GLU A 1 95 ? -4.764 -32.871 11.167 1.00 95.41 95 A 1 ATOM 750 C CA . GLU A 1 95 ? -5.578 -32.090 10.245 1.00 95.22 95 A 1 ATOM 751 C C . GLU A 1 95 ? -5.261 -30.597 10.369 1.00 95.33 95 A 1 ATOM 752 O O . GLU A 1 95 ? -5.343 -30.002 11.446 1.00 94.27 95 A 1 ATOM 753 C CB . GLU A 1 95 ? -7.069 -32.342 10.486 1.00 94.08 95 A 1 ATOM 754 C CG . GLU A 1 95 ? -7.447 -33.818 10.219 1.00 85.38 95 A 1 ATOM 755 C CD . GLU A 1 95 ? -8.966 -34.033 10.255 1.00 81.14 95 A 1 ATOM 756 O OE1 . GLU A 1 95 ? -9.441 -35.010 9.630 1.00 73.30 95 A 1 ATOM 757 O OE2 . GLU A 1 95 ? -9.727 -33.148 10.713 1.00 74.61 95 A 1 ATOM 758 N N . ARG A 1 96 ? -4.935 -29.983 9.238 1.00 95.70 96 A 1 ATOM 759 C CA . ARG A 1 96 ? -4.646 -28.555 9.106 1.00 94.87 96 A 1 ATOM 760 C C . ARG A 1 96 ? -5.636 -27.905 8.146 1.00 95.45 96 A 1 ATOM 761 O O . ARG A 1 96 ? -6.131 -28.527 7.207 1.00 94.39 96 A 1 ATOM 762 C CB . ARG A 1 96 ? -3.202 -28.353 8.625 1.00 93.57 96 A 1 ATOM 763 C CG . ARG A 1 96 ? -2.123 -28.951 9.541 1.00 91.10 96 A 1 ATOM 764 C CD . ARG A 1 96 ? -2.055 -28.282 10.918 1.00 88.66 96 A 1 ATOM 765 N NE . ARG A 1 96 ? -0.938 -28.839 11.690 1.00 85.56 96 A 1 ATOM 766 C CZ . ARG A 1 96 ? -0.401 -28.357 12.792 1.00 83.22 96 A 1 ATOM 767 N NH1 . ARG A 1 96 ? -0.837 -27.265 13.370 1.00 75.50 96 A 1 ATOM 768 N NH2 . ARG A 1 96 ? 0.602 -28.995 13.329 1.00 77.39 96 A 1 ATOM 769 N N . TYR A 1 97 ? -5.885 -26.632 8.372 1.00 95.31 97 A 1 ATOM 770 C CA . TYR A 1 97 ? -6.722 -25.803 7.515 1.00 95.21 97 A 1 ATOM 771 C C . TYR A 1 97 ? -5.884 -24.662 6.953 1.00 95.40 97 A 1 ATOM 772 O O . TYR A 1 97 ? -5.108 -24.035 7.668 1.00 93.88 97 A 1 ATOM 773 C CB . TYR A 1 97 ? -7.950 -25.313 8.286 1.00 94.41 97 A 1 ATOM 774 C CG . TYR A 1 97 ? -8.846 -26.449 8.753 1.00 93.15 97 A 1 ATOM 775 C CD1 . TYR A 1 97 ? -9.912 -26.895 7.943 1.00 87.99 97 A 1 ATOM 776 C CD2 . TYR A 1 97 ? -8.594 -27.089 9.985 1.00 89.07 97 A 1 ATOM 777 C CE1 . TYR A 1 97 ? -10.724 -27.967 8.361 1.00 86.51 97 A 1 ATOM 778 C CE2 . TYR A 1 97 ? -9.397 -28.169 10.405 1.00 87.26 97 A 1 ATOM 779 C CZ . TYR A 1 97 ? -10.466 -28.605 9.591 1.00 89.10 97 A 1 ATOM 780 O OH . TYR A 1 97 ? -11.245 -29.650 9.993 1.00 86.73 97 A 1 ATOM 781 N N . THR A 1 98 ? -6.010 -24.407 5.660 1.00 96.52 98 A 1 ATOM 782 C CA . THR A 1 98 ? -5.347 -23.278 5.005 1.00 96.15 98 A 1 ATOM 783 C C . THR A 1 98 ? -6.378 -22.504 4.207 1.00 96.75 98 A 1 ATOM 784 O O . THR A 1 98 ? -6.981 -23.056 3.284 1.00 96.00 98 A 1 ATOM 785 C CB . THR A 1 98 ? -4.198 -23.743 4.100 1.00 94.61 98 A 1 ATOM 786 O OG1 . THR A 1 98 ? -3.244 -24.465 4.844 1.00 88.94 98 A 1 ATOM 787 C CG2 . THR A 1 98 ? -3.456 -22.567 3.466 1.00 88.57 98 A 1 ATOM 788 N N . THR A 1 99 ? -6.553 -21.226 4.550 1.00 97.32 99 A 1 ATOM 789 C CA . THR A 1 99 ? -7.391 -20.296 3.796 1.00 97.41 99 A 1 ATOM 790 C C . THR A 1 99 ? -6.538 -19.551 2.778 1.00 97.80 99 A 1 ATOM 791 O O . THR A 1 99 ? -5.472 -19.030 3.103 1.00 97.26 99 A 1 ATOM 792 C CB . THR A 1 99 ? -8.140 -19.333 4.726 1.00 96.65 99 A 1 ATOM 793 O OG1 . THR A 1 99 ? -8.894 -20.092 5.653 1.00 91.10 99 A 1 ATOM 794 C CG2 . THR A 1 99 ? -9.131 -18.453 3.970 1.00 91.64 99 A 1 ATOM 795 N N . GLU A 1 100 ? -7.009 -19.520 1.533 1.00 97.66 100 A 1 ATOM 796 C CA . GLU A 1 100 ? -6.381 -18.840 0.405 1.00 97.73 100 A 1 ATOM 797 C C . GLU A 1 100 ? -7.410 -17.972 -0.308 1.00 98.07 100 A 1 ATOM 798 O O . GLU A 1 100 ? -8.598 -18.312 -0.362 1.00 97.61 100 A 1 ATOM 799 C CB . GLU A 1 100 ? -5.783 -19.860 -0.572 1.00 96.37 100 A 1 ATOM 800 C CG . GLU A 1 100 ? -4.682 -20.703 0.085 1.00 92.02 100 A 1 ATOM 801 C CD . GLU A 1 100 ? -4.076 -21.750 -0.851 1.00 92.14 100 A 1 ATOM 802 O OE1 . GLU A 1 100 ? -2.916 -22.167 -0.596 1.00 84.55 100 A 1 ATOM 803 O OE2 . GLU A 1 100 ? -4.794 -22.301 -1.715 1.00 86.58 100 A 1 ATOM 804 N N . VAL A 1 101 ? -6.952 -16.861 -0.897 1.00 98.32 101 A 1 ATOM 805 C CA . VAL A 1 101 ? -7.763 -15.989 -1.741 1.00 98.49 101 A 1 ATOM 806 C C . VAL A 1 101 ? -7.566 -16.417 -3.189 1.00 98.56 101 A 1 ATOM 807 O O . VAL A 1 101 ? -6.509 -16.204 -3.781 1.00 98.17 101 A 1 ATOM 808 C CB . VAL A 1 101 ? -7.419 -14.505 -1.522 1.00 98.35 101 A 1 ATOM 809 C CG1 . VAL A 1 101 ? -8.429 -13.620 -2.260 1.00 97.32 101 A 1 ATOM 810 C CG2 . VAL A 1 101 ? -7.451 -14.123 -0.037 1.00 97.16 101 A 1 ATOM 811 N N . HIS A 1 102 ? -8.577 -17.060 -3.767 1.00 98.56 102 A 1 ATOM 812 C CA . HIS A 1 102 ? -8.584 -17.431 -5.182 1.00 98.56 102 A 1 ATOM 813 C C . HIS A 1 102 ? -9.064 -16.233 -5.996 1.00 98.62 102 A 1 ATOM 814 O O . HIS A 1 102 ? -10.262 -15.951 -6.029 1.00 97.98 102 A 1 ATOM 815 C CB . HIS A 1 102 ? -9.466 -18.663 -5.410 1.00 98.18 102 A 1 ATOM 816 C CG . HIS A 1 102 ? -8.826 -19.965 -5.002 1.00 97.66 102 A 1 ATOM 817 N ND1 . HIS A 1 102 ? -8.724 -21.090 -5.801 1.00 86.65 102 A 1 ATOM 818 C CD2 . HIS A 1 102 ? -8.216 -20.250 -3.817 1.00 88.64 102 A 1 ATOM 819 C CE1 . HIS A 1 102 ? -8.069 -22.031 -5.103 1.00 90.50 102 A 1 ATOM 820 N NE2 . HIS A 1 102 ? -7.737 -21.558 -3.888 1.00 92.91 102 A 1 ATOM 821 N N . CYS A 1 103 ? -8.125 -15.530 -6.644 1.00 98.14 103 A 1 ATOM 822 C CA . CYS A 1 103 ? -8.411 -14.315 -7.395 1.00 97.98 103 A 1 ATOM 823 C C . CYS A 1 103 ? -8.790 -14.618 -8.846 1.00 97.96 103 A 1 ATOM 824 O O . CYS A 1 103 ? -8.233 -15.507 -9.489 1.00 97.32 103 A 1 ATOM 825 C CB . CYS A 1 103 ? -7.238 -13.337 -7.290 1.00 97.23 103 A 1 ATOM 826 S SG . CYS A 1 103 ? -6.994 -12.870 -5.554 1.00 92.05 103 A 1 ATOM 827 N N . PHE A 1 104 ? -9.767 -13.848 -9.335 1.00 97.84 104 A 1 ATOM 828 C CA . PHE A 1 104 ? -10.238 -13.852 -10.718 1.00 97.37 104 A 1 ATOM 829 C C . PHE A 1 104 ? -9.966 -12.520 -11.433 1.00 97.46 104 A 1 ATOM 830 O O . PHE A 1 104 ? -10.100 -12.453 -12.650 1.00 96.25 104 A 1 ATOM 831 C CB . PHE A 1 104 ? -11.728 -14.224 -10.741 1.00 96.10 104 A 1 ATOM 832 C CG . PHE A 1 104 ? -12.595 -13.375 -9.830 1.00 94.76 104 A 1 ATOM 833 C CD1 . PHE A 1 104 ? -13.033 -13.890 -8.594 1.00 89.65 104 A 1 ATOM 834 C CD2 . PHE A 1 104 ? -12.956 -12.066 -10.204 1.00 90.52 104 A 1 ATOM 835 C CE1 . PHE A 1 104 ? -13.813 -13.097 -7.733 1.00 85.14 104 A 1 ATOM 836 C CE2 . PHE A 1 104 ? -13.727 -11.270 -9.341 1.00 86.19 104 A 1 ATOM 837 C CZ . PHE A 1 104 ? -14.156 -11.785 -8.104 1.00 87.33 104 A 1 ATOM 838 N N . GLU A 1 105 ? -9.551 -11.484 -10.691 1.00 97.93 105 A 1 ATOM 839 C CA . GLU A 1 105 ? -9.118 -10.194 -11.225 1.00 97.95 105 A 1 ATOM 840 C C . GLU A 1 105 ? -7.835 -9.735 -10.533 1.00 98.15 105 A 1 ATOM 841 O O . GLU A 1 105 ? -7.649 -9.935 -9.333 1.00 97.46 105 A 1 ATOM 842 C CB . GLU A 1 105 ? -10.241 -9.160 -11.083 1.00 96.91 105 A 1 ATOM 843 C CG . GLU A 1 105 ? -9.920 -7.873 -11.851 1.00 88.53 105 A 1 ATOM 844 C CD . GLU A 1 105 ? -11.065 -6.858 -11.865 1.00 84.77 105 A 1 ATOM 845 O OE1 . GLU A 1 105 ? -10.753 -5.680 -12.160 1.00 75.14 105 A 1 ATOM 846 O OE2 . GLU A 1 105 ? -12.220 -7.275 -11.647 1.00 75.92 105 A 1 ATOM 847 N N . MET A 1 106 ? -6.927 -9.140 -11.314 1.00 97.93 106 A 1 ATOM 848 C CA . MET A 1 106 ? -5.669 -8.562 -10.851 1.00 97.96 106 A 1 ATOM 849 C C . MET A 1 106 ? -5.338 -7.322 -11.673 1.00 97.90 106 A 1 ATOM 850 O O . MET A 1 106 ? -5.359 -7.370 -12.901 1.00 96.93 106 A 1 ATOM 851 C CB . MET A 1 106 ? -4.543 -9.597 -10.985 1.00 97.34 106 A 1 ATOM 852 C CG . MET A 1 106 ? -3.169 -9.064 -10.558 1.00 96.89 106 A 1 ATOM 853 S SD . MET A 1 106 ? -1.796 -10.188 -10.933 1.00 95.43 106 A 1 ATOM 854 C CE . MET A 1 106 ? -1.619 -9.907 -12.713 1.00 91.21 106 A 1 ATOM 855 N N . GLN A 1 107 ? -4.953 -6.237 -10.995 1.00 97.63 107 A 1 ATOM 856 C CA . GLN A 1 107 ? -4.409 -5.028 -11.607 1.00 97.26 107 A 1 ATOM 857 C C . GLN A 1 107 ? -3.087 -4.657 -10.928 1.00 97.29 107 A 1 ATOM 858 O O . GLN A 1 107 ? -2.977 -4.675 -9.705 1.00 96.26 107 A 1 ATOM 859 C CB . GLN A 1 107 ? -5.418 -3.877 -11.526 1.00 96.18 107 A 1 ATOM 860 C CG . GLN A 1 107 ? -6.780 -4.211 -12.157 1.00 87.40 107 A 1 ATOM 861 C CD . GLN A 1 107 ? -7.777 -3.059 -12.085 1.00 84.46 107 A 1 ATOM 862 O OE1 . GLN A 1 107 ? -7.431 -1.920 -11.826 1.00 77.10 107 A 1 ATOM 863 N NE2 . GLN A 1 107 ? -9.043 -3.315 -12.325 1.00 72.72 107 A 1 ATOM 864 N N . MET A 1 108 ? -2.073 -4.312 -11.723 1.00 96.52 108 A 1 ATOM 865 C CA . MET A 1 108 ? -0.786 -3.822 -11.214 1.00 96.04 108 A 1 ATOM 866 C C . MET A 1 108 ? -0.896 -2.315 -10.970 1.00 95.95 108 A 1 ATOM 867 O O . MET A 1 108 ? -1.162 -1.562 -11.904 1.00 93.86 108 A 1 ATOM 868 C CB . MET A 1 108 ? 0.327 -4.146 -12.217 1.00 93.99 108 A 1 ATOM 869 C CG . MET A 1 108 ? 0.538 -5.656 -12.375 1.00 89.59 108 A 1 ATOM 870 S SD . MET A 1 108 ? 1.772 -6.130 -13.613 1.00 86.98 108 A 1 ATOM 871 C CE . MET A 1 108 ? 0.841 -5.854 -15.142 1.00 76.97 108 A 1 ATOM 872 N N . LEU A 1 109 ? -0.705 -1.864 -9.725 1.00 95.65 109 A 1 ATOM 873 C CA . LEU A 1 109 ? -0.922 -0.466 -9.331 1.00 93.80 109 A 1 ATOM 874 C C . LEU A 1 109 ? 0.349 0.387 -9.337 1.00 89.43 109 A 1 ATOM 875 O O . LEU A 1 109 ? 0.264 1.615 -9.350 1.00 76.75 109 A 1 ATOM 876 C CB . LEU A 1 109 ? -1.590 -0.429 -7.949 1.00 92.96 109 A 1 ATOM 877 C CG . LEU A 1 109 ? -2.989 -1.066 -7.873 1.00 94.31 109 A 1 ATOM 878 C CD1 . LEU A 1 109 ? -3.515 -0.896 -6.447 1.00 90.80 109 A 1 ATOM 879 C CD2 . LEU A 1 109 ? -3.981 -0.420 -8.838 1.00 90.86 109 A 1 ATOM 880 N N . GLY A 1 110 ? 1.529 -0.239 -9.329 1.00 85.15 110 A 1 ATOM 881 C CA . GLY A 1 110 ? 2.785 0.496 -9.200 1.00 79.55 110 A 1 ATOM 882 C C . GLY A 1 110 ? 3.921 -0.085 -10.031 1.00 76.24 110 A 1 ATOM 883 O O . GLY A 1 110 ? 4.426 -1.166 -9.750 1.00 65.43 110 A 1 ATOM 884 N N . GLY A 1 111 ? 4.396 0.674 -11.020 1.00 64.09 111 A 1 ATOM 885 C CA . GLY A 1 111 ? 5.624 0.408 -11.787 1.00 61.03 111 A 1 ATOM 886 C C . GLY A 1 111 ? 6.812 1.299 -11.418 1.00 59.50 111 A 1 ATOM 887 O O . GLY A 1 111 ? 7.882 1.164 -12.001 1.00 54.63 111 A 1 ATOM 888 N N . ARG A 1 112 ? 6.644 2.216 -10.468 1.00 51.11 112 A 1 ATOM 889 C CA . ARG A 1 112 ? 7.761 2.988 -9.896 1.00 49.38 112 A 1 ATOM 890 C C . ARG A 1 112 ? 7.738 2.795 -8.395 1.00 49.21 112 A 1 ATOM 891 O O . ARG A 1 112 ? 6.873 3.335 -7.716 1.00 45.24 112 A 1 ATOM 892 C CB . ARG A 1 112 ? 7.698 4.466 -10.302 1.00 44.95 112 A 1 ATOM 893 C CG . ARG A 1 112 ? 8.330 4.669 -11.683 1.00 41.01 112 A 1 ATOM 894 C CD . ARG A 1 112 ? 8.334 6.143 -12.090 1.00 37.57 112 A 1 ATOM 895 N NE . ARG A 1 112 ? 9.134 6.351 -13.317 1.00 33.25 112 A 1 ATOM 896 C CZ . ARG A 1 112 ? 8.755 6.942 -14.442 1.00 30.77 112 A 1 ATOM 897 N NH1 . ARG A 1 112 ? 7.556 7.429 -14.602 1.00 31.03 112 A 1 ATOM 898 N NH2 . ARG A 1 112 ? 9.595 7.049 -15.432 1.00 30.88 112 A 1 ATOM 899 N N . GLY A 1 113 ? 8.673 1.990 -7.910 1.00 47.82 113 A 1 ATOM 900 C CA . GLY A 1 113 ? 8.968 1.905 -6.491 1.00 47.29 113 A 1 ATOM 901 C C . GLY A 1 113 ? 9.144 3.306 -5.929 1.00 47.42 113 A 1 ATOM 902 O O . GLY A 1 113 ? 9.704 4.184 -6.596 1.00 44.63 113 A 1 ATOM 903 N N . ASN A 1 114 ? 8.640 3.488 -4.714 1.00 43.69 114 A 1 ATOM 904 C CA . ASN A 1 114 ? 8.954 4.621 -3.860 1.00 43.02 114 A 1 ATOM 905 C C . ASN A 1 114 ? 10.457 4.541 -3.527 1.00 43.49 114 A 1 ATOM 906 O O . ASN A 1 114 ? 10.844 4.115 -2.448 1.00 39.38 114 A 1 ATOM 907 C CB . ASN A 1 114 ? 8.022 4.537 -2.633 1.00 39.54 114 A 1 ATOM 908 C CG . ASN A 1 114 ? 7.848 5.862 -1.918 1.00 35.47 114 A 1 ATOM 909 O OD1 . ASN A 1 114 ? 7.842 6.919 -2.521 1.00 31.06 114 A 1 ATOM 910 N ND2 . ASN A 1 114 ? 7.620 5.848 -0.628 1.00 29.64 114 A 1 ATOM 911 N N . ALA A 1 115 ? 11.304 4.808 -4.535 1.00 41.24 115 A 1 ATOM 912 C CA . ALA A 1 115 ? 12.713 5.040 -4.316 1.00 40.49 115 A 1 ATOM 913 C C . ALA A 1 115 ? 12.780 6.293 -3.440 1.00 40.61 115 A 1 ATOM 914 O O . ALA A 1 115 ? 12.173 7.305 -3.818 1.00 37.39 115 A 1 ATOM 915 C CB . ALA A 1 115 ? 13.438 5.215 -5.658 1.00 37.37 115 A 1 ATOM 916 N N . PRO A 1 116 ? 13.444 6.253 -2.278 1.00 36.48 116 A 1 ATOM 917 C CA . PRO A 1 116 ? 13.772 7.468 -1.563 1.00 35.83 116 A 1 ATOM 918 C C . PRO A 1 116 ? 14.426 8.393 -2.581 1.00 35.59 116 A 1 ATOM 919 O O . PRO A 1 116 ? 15.414 8.022 -3.215 1.00 33.54 116 A 1 ATOM 920 C CB . PRO A 1 116 ? 14.727 7.064 -0.433 1.00 32.55 116 A 1 ATOM 921 C CG . PRO A 1 116 ? 14.496 5.569 -0.280 1.00 32.18 116 A 1 ATOM 922 C CD . PRO A 1 116 ? 14.106 5.109 -1.681 1.00 34.80 116 A 1 ATOM 923 N N . GLN A 1 117 ? 13.816 9.545 -2.820 1.00 43.03 117 A 1 ATOM 924 C CA . GLN A 1 117 ? 14.393 10.569 -3.670 1.00 42.99 117 A 1 ATOM 925 C C . GLN A 1 117 ? 15.633 11.053 -2.931 1.00 43.56 117 A 1 ATOM 926 O O . GLN A 1 117 ? 15.549 11.899 -2.047 1.00 40.54 117 A 1 ATOM 927 C CB . GLN A 1 117 ? 13.328 11.634 -3.954 1.00 40.29 117 A 1 ATOM 928 C CG . GLN A 1 117 ? 13.738 12.610 -5.066 1.00 34.48 117 A 1 ATOM 929 C CD . GLN A 1 117 ? 12.584 13.516 -5.504 1.00 30.52 117 A 1 ATOM 930 O OE1 . GLN A 1 117 ? 11.461 13.451 -5.036 1.00 28.68 117 A 1 ATOM 931 N NE2 . GLN A 1 117 ? 12.805 14.409 -6.446 1.00 30.28 117 A 1 ATOM 932 N N . ASP A 1 118 ? 16.766 10.421 -3.231 1.00 39.48 118 A 1 ATOM 933 C CA . ASP A 1 118 ? 18.074 10.816 -2.735 1.00 39.90 118 A 1 ATOM 934 C C . ASP A 1 118 ? 18.348 12.213 -3.288 1.00 37.83 118 A 1 ATOM 935 O O . ASP A 1 118 ? 18.753 12.407 -4.434 1.00 34.30 118 A 1 ATOM 936 C CB . ASP A 1 118 ? 19.137 9.766 -3.116 1.00 37.32 118 A 1 ATOM 937 C CG . ASP A 1 118 ? 20.508 10.078 -2.507 1.00 32.00 118 A 1 ATOM 938 O OD1 . ASP A 1 118 ? 20.551 10.879 -1.543 1.00 29.59 118 A 1 ATOM 939 O OD2 . ASP A 1 118 ? 21.509 9.539 -3.025 1.00 27.91 118 A 1 ATOM 940 N N . ASN A 1 119 ? 18.003 13.209 -2.468 1.00 38.78 119 A 1 ATOM 941 C CA . ASN A 1 119 ? 18.303 14.609 -2.705 1.00 42.57 119 A 1 ATOM 942 C C . ASN A 1 119 ? 19.790 14.840 -2.408 1.00 40.75 119 A 1 ATOM 943 O O . ASN A 1 119 ? 20.167 15.654 -1.569 1.00 36.97 119 A 1 ATOM 944 C CB . ASN A 1 119 ? 17.334 15.484 -1.891 1.00 37.46 119 A 1 ATOM 945 C CG . ASN A 1 119 ? 17.365 16.941 -2.320 1.00 31.52 119 A 1 ATOM 946 O OD1 . ASN A 1 119 ? 17.613 17.281 -3.463 1.00 29.29 119 A 1 ATOM 947 N ND2 . ASN A 1 119 ? 17.082 17.860 -1.431 1.00 28.17 119 A 1 ATOM 948 N N . SER A 1 120 ? 20.648 14.077 -3.082 1.00 43.38 120 A 1 ATOM 949 C CA . SER A 1 120 ? 22.067 14.357 -3.183 1.00 45.26 120 A 1 ATOM 950 C C . SER A 1 120 ? 22.228 15.582 -4.078 1.00 42.98 120 A 1 ATOM 951 O O . SER A 1 120 ? 22.358 15.512 -5.296 1.00 40.04 120 A 1 ATOM 952 C CB . SER A 1 120 ? 22.887 13.130 -3.612 1.00 43.00 120 A 1 ATOM 953 O OG . SER A 1 120 ? 22.264 12.345 -4.598 1.00 36.96 120 A 1 ATOM 954 N N . GLN A 1 121 ? 22.159 16.750 -3.436 1.00 65.11 121 A 1 ATOM 955 C CA . GLN A 1 121 ? 22.609 18.020 -3.986 1.00 65.12 121 A 1 ATOM 956 C C . GLN A 1 121 ? 23.984 17.800 -4.613 1.00 62.62 121 A 1 ATOM 957 O O . GLN A 1 121 ? 24.991 17.611 -3.933 1.00 58.52 121 A 1 ATOM 958 C CB . GLN A 1 121 ? 22.679 19.069 -2.867 1.00 61.29 121 A 1 ATOM 959 C CG . GLN A 1 121 ? 21.290 19.609 -2.497 1.00 54.56 121 A 1 ATOM 960 C CD . GLN A 1 121 ? 21.314 20.506 -1.262 1.00 48.87 121 A 1 ATOM 961 O OE1 . GLN A 1 121 ? 22.246 20.530 -0.478 1.00 49.16 121 A 1 ATOM 962 N NE2 . GLN A 1 121 ? 20.279 21.272 -1.024 1.00 47.94 121 A 1 ATOM 963 N N . ARG A 1 122 ? 23.998 17.789 -5.941 1.00 55.15 122 A 1 ATOM 964 C CA . ARG A 1 122 ? 25.200 17.726 -6.760 1.00 53.87 122 A 1 ATOM 965 C C . ARG A 1 122 ? 25.955 19.037 -6.550 1.00 48.14 122 A 1 ATOM 966 O O . ARG A 1 122 ? 25.693 20.022 -7.228 1.00 47.05 122 A 1 ATOM 967 C CB . ARG A 1 122 ? 24.757 17.453 -8.208 1.00 52.35 122 A 1 ATOM 968 C CG . ARG A 1 122 ? 25.839 16.800 -9.070 1.00 47.33 122 A 1 ATOM 969 C CD . ARG A 1 122 ? 25.258 16.547 -10.468 1.00 45.02 122 A 1 ATOM 970 N NE . ARG A 1 122 ? 26.121 15.685 -11.295 1.00 42.53 122 A 1 ATOM 971 C CZ . ARG A 1 122 ? 25.974 15.433 -12.581 1.00 39.48 122 A 1 ATOM 972 N NH1 . ARG A 1 122 ? 25.033 15.994 -13.289 1.00 38.72 122 A 1 ATOM 973 N NH2 . ARG A 1 122 ? 26.777 14.600 -13.188 1.00 40.34 122 A 1 ATOM 974 N N . ALA A 1 123 ? 26.847 19.063 -5.560 1.00 48.52 123 A 1 ATOM 975 C CA . ALA A 1 123 ? 27.787 20.156 -5.360 1.00 53.31 123 A 1 ATOM 976 C C . ALA A 1 123 ? 28.621 20.295 -6.642 1.00 50.47 123 A 1 ATOM 977 O O . ALA A 1 123 ? 29.363 19.388 -7.023 1.00 48.31 123 A 1 ATOM 978 C CB . ALA A 1 123 ? 28.638 19.873 -4.113 1.00 49.42 123 A 1 ATOM 979 N N . ALA A 1 124 ? 28.430 21.412 -7.348 1.00 48.38 124 A 1 ATOM 980 C CA . ALA A 1 124 ? 29.239 21.771 -8.502 1.00 54.07 124 A 1 ATOM 981 C C . ALA A 1 124 ? 30.710 21.942 -8.065 1.00 51.96 124 A 1 ATOM 982 O O . ALA A 1 124 ? 30.958 22.550 -7.019 1.00 50.90 124 A 1 ATOM 983 C CB . ALA A 1 124 ? 28.671 23.052 -9.119 1.00 49.58 124 A 1 ATOM 984 N N . PRO A 1 125 ? 31.700 21.443 -8.839 1.00 40.21 125 A 1 ATOM 985 C CA . PRO A 1 125 ? 33.105 21.667 -8.532 1.00 46.66 125 A 1 ATOM 986 C C . PRO A 1 125 ? 33.426 23.157 -8.660 1.00 44.43 125 A 1 ATOM 987 O O . PRO A 1 125 ? 33.359 23.730 -9.747 1.00 44.01 125 A 1 ATOM 988 C CB . PRO A 1 125 ? 33.914 20.813 -9.514 1.00 43.94 125 A 1 ATOM 989 C CG . PRO A 1 125 ? 32.888 19.856 -10.120 1.00 43.64 125 A 1 ATOM 990 C CD . PRO A 1 125 ? 31.574 20.623 -10.024 1.00 51.62 125 A 1 ATOM 991 N N . GLN A 1 126 ? 33.778 23.792 -7.535 1.00 54.01 126 A 1 ATOM 992 C CA . GLN A 1 126 ? 34.263 25.168 -7.504 1.00 58.19 126 A 1 ATOM 993 C C . GLN A 1 126 ? 35.675 25.192 -8.099 1.00 54.90 126 A 1 ATOM 994 O O . GLN A 1 126 ? 36.647 24.763 -7.482 1.00 52.84 126 A 1 ATOM 995 C CB . GLN A 1 126 ? 34.162 25.690 -6.062 1.00 54.37 126 A 1 ATOM 996 C CG . GLN A 1 126 ? 34.196 27.224 -5.971 1.00 48.69 126 A 1 ATOM 997 C CD . GLN A 1 126 ? 33.851 27.732 -4.563 1.00 44.02 126 A 1 ATOM 998 O OE1 . GLN A 1 126 ? 33.745 26.991 -3.600 1.00 43.56 126 A 1 ATOM 999 N NE2 . GLN A 1 126 ? 33.660 29.022 -4.380 1.00 46.04 126 A 1 ATOM 1000 N N . GLN A 1 127 ? 35.775 25.650 -9.350 1.00 46.62 127 A 1 ATOM 1001 C CA . GLN A 1 127 ? 37.023 25.809 -10.092 1.00 48.94 127 A 1 ATOM 1002 C C . GLN A 1 127 ? 37.832 26.942 -9.451 1.00 45.66 127 A 1 ATOM 1003 O O . GLN A 1 127 ? 37.420 28.102 -9.473 1.00 42.78 127 A 1 ATOM 1004 C CB . GLN A 1 127 ? 36.663 26.044 -11.568 1.00 45.83 127 A 1 ATOM 1005 C CG . GLN A 1 127 ? 37.768 25.657 -12.555 1.00 40.85 127 A 1 ATOM 1006 C CD . GLN A 1 127 ? 37.276 25.691 -14.008 1.00 36.64 127 A 1 ATOM 1007 O OE1 . GLN A 1 127 ? 36.263 26.280 -14.343 1.00 35.02 127 A 1 ATOM 1008 N NE2 . GLN A 1 127 ? 37.968 25.065 -14.930 1.00 40.07 127 A 1 ATOM 1009 N N . GLY A 1 128 ? 38.961 26.604 -8.824 1.00 42.09 128 A 1 ATOM 1010 C CA . GLY A 1 128 ? 39.871 27.564 -8.209 1.00 46.92 128 A 1 ATOM 1011 C C . GLY A 1 128 ? 40.487 28.495 -9.251 1.00 43.09 128 A 1 ATOM 1012 O O . GLY A 1 128 ? 41.250 28.055 -10.106 1.00 40.59 128 A 1 ATOM 1013 N N . GLN A 1 129 ? 40.169 29.797 -9.151 1.00 41.19 129 A 1 ATOM 1014 C CA . GLN A 1 129 ? 40.880 30.858 -9.864 1.00 45.24 129 A 1 ATOM 1015 C C . GLN A 1 129 ? 41.985 31.441 -8.982 1.00 42.17 129 A 1 ATOM 1016 O O . GLN A 1 129 ? 41.751 31.934 -7.879 1.00 40.16 129 A 1 ATOM 1017 C CB . GLN A 1 129 ? 39.917 31.914 -10.421 1.00 43.47 129 A 1 ATOM 1018 C CG . GLN A 1 129 ? 39.645 31.642 -11.912 1.00 39.81 129 A 1 ATOM 1019 C CD . GLN A 1 129 ? 38.629 32.589 -12.538 1.00 35.83 129 A 1 ATOM 1020 O OE1 . GLN A 1 129 ? 37.859 33.254 -11.871 1.00 34.70 129 A 1 ATOM 1021 N NE2 . GLN A 1 129 ? 38.562 32.679 -13.848 1.00 40.59 129 A 1 ATOM 1022 N N . ARG A 1 130 ? 43.203 31.333 -9.509 1.00 34.88 130 A 1 ATOM 1023 C CA . ARG A 1 130 ? 44.445 31.900 -8.983 1.00 37.93 130 A 1 ATOM 1024 C C . ARG A 1 130 ? 44.371 33.428 -8.888 1.00 33.77 130 A 1 ATOM 1025 O O . ARG A 1 130 ? 43.912 34.103 -9.803 1.00 32.02 130 A 1 ATOM 1026 C CB . ARG A 1 130 ? 45.597 31.508 -9.926 1.00 36.07 130 A 1 ATOM 1027 C CG . ARG A 1 130 ? 46.085 30.067 -9.743 1.00 32.53 130 A 1 ATOM 1028 C CD . ARG A 1 130 ? 47.086 29.718 -10.855 1.00 30.09 130 A 1 ATOM 1029 N NE . ARG A 1 130 ? 47.903 28.534 -10.529 1.00 27.91 130 A 1 ATOM 1030 C CZ . ARG A 1 130 ? 48.787 27.950 -11.316 1.00 27.78 130 A 1 ATOM 1031 N NH1 . ARG A 1 130 ? 48.964 28.325 -12.551 1.00 28.38 130 A 1 ATOM 1032 N NH2 . ARG A 1 130 ? 49.528 26.973 -10.868 1.00 30.33 130 A 1 ATOM 1033 N N . THR A 1 131 ? 44.909 33.936 -7.796 1.00 31.25 131 A 1 ATOM 1034 C CA . THR A 1 131 ? 45.256 35.335 -7.534 1.00 36.67 131 A 1 ATOM 1035 C C . THR A 1 131 ? 46.271 35.881 -8.549 1.00 34.62 131 A 1 ATOM 1036 O O . THR A 1 131 ? 47.337 35.293 -8.741 1.00 31.07 131 A 1 ATOM 1037 C CB . THR A 1 131 ? 45.875 35.419 -6.128 1.00 30.97 131 A 1 ATOM 1038 O OG1 . THR A 1 131 ? 46.811 34.368 -5.962 1.00 27.38 131 A 1 ATOM 1039 C CG2 . THR A 1 131 ? 44.823 35.244 -5.032 1.00 26.86 131 A 1 ATOM 1040 N N . GLY A 1 132 ? 45.955 37.038 -9.134 1.00 35.89 132 A 1 ATOM 1041 C CA . GLY A 1 132 ? 46.883 37.885 -9.881 1.00 39.94 132 A 1 ATOM 1042 C C . GLY A 1 132 ? 46.576 39.353 -9.592 1.00 36.40 132 A 1 ATOM 1043 O O . GLY A 1 132 ? 45.450 39.796 -9.785 1.00 33.56 132 A 1 ATOM 1044 N N . ALA A 1 133 ? 47.545 40.073 -9.053 1.00 33.07 133 A 1 ATOM 1045 C CA . ALA A 1 133 ? 47.469 41.470 -8.619 1.00 38.44 133 A 1 ATOM 1046 C C . ALA A 1 133 ? 47.452 42.460 -9.798 1.00 36.26 133 A 1 ATOM 1047 O O . ALA A 1 133 ? 48.066 42.191 -10.830 1.00 33.86 133 A 1 ATOM 1048 C CB . ALA A 1 133 ? 48.699 41.710 -7.731 1.00 35.63 133 A 1 ATOM 1049 N N . GLY A 1 134 ? 46.850 43.658 -9.569 1.00 34.14 134 A 1 ATOM 1050 C CA . GLY A 1 134 ? 47.185 44.849 -10.363 1.00 39.39 134 A 1 ATOM 1051 C C . GLY A 1 134 ? 46.093 45.911 -10.553 1.00 36.91 134 A 1 ATOM 1052 O O . GLY A 1 134 ? 45.288 45.804 -11.466 1.00 34.19 134 A 1 ATOM 1053 N N . THR A 1 135 ? 46.174 46.990 -9.742 1.00 24.64 135 A 1 ATOM 1054 C CA . THR A 1 135 ? 46.055 48.421 -10.134 1.00 28.89 135 A 1 ATOM 1055 C C . THR A 1 135 ? 44.674 49.066 -10.422 1.00 28.06 135 A 1 ATOM 1056 O O . THR A 1 135 ? 44.079 48.892 -11.476 1.00 25.89 135 A 1 ATOM 1057 C CB . THR A 1 135 ? 47.070 48.793 -11.237 1.00 25.73 135 A 1 ATOM 1058 O OG1 . THR A 1 135 ? 48.114 47.856 -11.350 1.00 22.30 135 A 1 ATOM 1059 C CG2 . THR A 1 135 ? 47.784 50.107 -10.916 1.00 22.13 135 A 1 ATOM 1060 N N . GLN A 1 136 ? 44.277 49.956 -9.459 1.00 28.95 136 A 1 ATOM 1061 C CA . GLN A 1 136 ? 43.747 51.337 -9.581 1.00 33.44 136 A 1 ATOM 1062 C C . GLN A 1 136 ? 42.644 51.691 -10.614 1.00 31.15 136 A 1 ATOM 1063 O O . GLN A 1 136 ? 42.896 51.763 -11.816 1.00 29.02 136 A 1 ATOM 1064 C CB . GLN A 1 136 ? 44.935 52.304 -9.779 1.00 30.73 136 A 1 ATOM 1065 C CG . GLN A 1 136 ? 45.876 52.416 -8.568 1.00 27.93 136 A 1 ATOM 1066 C CD . GLN A 1 136 ? 47.099 53.304 -8.831 1.00 25.00 136 A 1 ATOM 1067 O OE1 . GLN A 1 136 ? 47.387 53.709 -9.943 1.00 23.40 136 A 1 ATOM 1068 N NE2 . GLN A 1 136 ? 47.883 53.633 -7.832 1.00 27.97 136 A 1 ATOM 1069 N N . SER A 1 137 ? 41.496 52.170 -10.124 1.00 26.11 137 A 1 ATOM 1070 C CA . SER A 1 137 ? 41.048 53.591 -10.065 1.00 29.92 137 A 1 ATOM 1071 C C . SER A 1 137 ? 39.511 53.714 -9.948 1.00 27.69 137 A 1 ATOM 1072 O O . SER A 1 137 ? 38.775 52.916 -10.507 1.00 26.24 137 A 1 ATOM 1073 C CB . SER A 1 137 ? 41.525 54.455 -11.244 1.00 28.39 137 A 1 ATOM 1074 O OG . SER A 1 137 ? 42.922 54.621 -11.184 1.00 25.06 137 A 1 ATOM 1075 N N . ALA A 1 138 ? 39.064 54.716 -9.180 1.00 28.16 138 A 1 ATOM 1076 C CA . ALA A 1 138 ? 37.697 55.048 -8.720 1.00 33.34 138 A 1 ATOM 1077 C C . ALA A 1 138 ? 36.828 55.807 -9.774 1.00 31.52 138 A 1 ATOM 1078 O O . ALA A 1 138 ? 37.308 55.983 -10.894 1.00 30.31 138 A 1 ATOM 1079 C CB . ALA A 1 138 ? 37.986 55.919 -7.485 1.00 31.20 138 A 1 ATOM 1080 N N . PRO A 1 139 ? 35.673 56.447 -9.452 1.00 28.14 139 A 1 ATOM 1081 C CA . PRO A 1 139 ? 34.510 56.119 -8.592 1.00 31.37 139 A 1 ATOM 1082 C C . PRO A 1 139 ? 33.147 56.404 -9.301 1.00 29.64 139 A 1 ATOM 1083 O O . PRO A 1 139 ? 33.115 56.569 -10.525 1.00 28.32 139 A 1 ATOM 1084 C CB . PRO A 1 139 ? 34.710 57.061 -7.389 1.00 29.34 139 A 1 ATOM 1085 C CG . PRO A 1 139 ? 35.359 58.306 -8.006 1.00 29.16 139 A 1 ATOM 1086 C CD . PRO A 1 139 ? 35.734 57.900 -9.435 1.00 33.47 139 A 1 ATOM 1087 N N . VAL A 1 140 ? 32.043 56.579 -8.515 1.00 26.32 140 A 1 ATOM 1088 C CA . VAL A 1 140 ? 30.728 57.243 -8.804 1.00 30.44 140 A 1 ATOM 1089 C C . VAL A 1 140 ? 29.553 56.251 -9.003 1.00 28.79 140 A 1 ATOM 1090 O O . VAL A 1 140 ? 29.706 55.292 -9.745 1.00 27.41 140 A 1 ATOM 1091 C CB . VAL A 1 140 ? 30.809 58.282 -9.963 1.00 28.56 140 A 1 ATOM 1092 C CG1 . VAL A 1 140 ? 29.518 59.097 -10.154 1.00 24.56 140 A 1 ATOM 1093 C CG2 . VAL A 1 140 ? 31.894 59.348 -9.769 1.00 26.28 140 A 1 ATOM 1094 N N . GLN A 1 141 ? 28.316 56.403 -8.499 1.00 26.68 141 A 1 ATOM 1095 C CA . GLN A 1 141 ? 27.638 57.096 -7.375 1.00 29.35 141 A 1 ATOM 1096 C C . GLN A 1 141 ? 26.143 56.688 -7.456 1.00 27.50 141 A 1 ATOM 1097 O O . GLN A 1 141 ? 25.637 56.536 -8.572 1.00 26.10 141 A 1 ATOM 1098 C CB . GLN A 1 141 ? 27.735 58.630 -7.535 1.00 28.01 141 A 1 ATOM 1099 C CG . GLN A 1 141 ? 27.503 59.474 -6.269 1.00 24.98 141 A 1 ATOM 1100 C CD . GLN A 1 141 ? 27.865 60.949 -6.476 1.00 22.79 141 A 1 ATOM 1101 O OE1 . GLN A 1 141 ? 28.025 61.450 -7.577 1.00 21.39 141 A 1 ATOM 1102 N NE2 . GLN A 1 141 ? 28.016 61.720 -5.426 1.00 25.90 141 A 1 ATOM 1103 N N . GLN A 1 142 ? 25.432 56.613 -6.312 1.00 27.62 142 A 1 ATOM 1104 C CA . GLN A 1 142 ? 23.958 56.752 -6.136 1.00 28.83 142 A 1 ATOM 1105 C C . GLN A 1 142 ? 23.023 55.692 -6.787 1.00 26.28 142 A 1 ATOM 1106 O O . GLN A 1 142 ? 23.268 55.229 -7.890 1.00 24.64 142 A 1 ATOM 1107 C CB . GLN A 1 142 ? 23.564 58.191 -6.532 1.00 27.51 142 A 1 ATOM 1108 C CG . GLN A 1 142 ? 23.841 59.205 -5.407 1.00 25.21 142 A 1 ATOM 1109 C CD . GLN A 1 142 ? 23.864 60.659 -5.860 1.00 23.60 142 A 1 ATOM 1110 O OE1 . GLN A 1 142 ? 23.982 60.986 -7.026 1.00 22.17 142 A 1 ATOM 1111 N NE2 . GLN A 1 142 ? 23.791 61.608 -4.956 1.00 25.92 142 A 1 ATOM 1112 N N . SER A 1 143 ? 21.878 55.260 -6.242 1.00 25.88 143 A 1 ATOM 1113 C CA . SER A 1 143 ? 21.074 55.594 -5.045 1.00 29.35 143 A 1 ATOM 1114 C C . SER A 1 143 ? 20.008 54.487 -4.840 1.00 26.76 143 A 1 ATOM 1115 O O . SER A 1 143 ? 19.666 53.767 -5.774 1.00 24.96 143 A 1 ATOM 1116 C CB . SER A 1 143 ? 20.342 56.943 -5.213 1.00 27.25 143 A 1 ATOM 1117 O OG . SER A 1 143 ? 20.190 57.334 -6.556 1.00 23.84 143 A 1 ATOM 1118 N N . ALA A 1 144 ? 19.483 54.385 -3.607 1.00 27.52 144 A 1 ATOM 1119 C CA . ALA A 1 144 ? 18.388 53.517 -3.113 1.00 32.52 144 A 1 ATOM 1120 C C . ALA A 1 144 ? 16.979 53.966 -3.625 1.00 30.97 144 A 1 ATOM 1121 O O . ALA A 1 144 ? 16.942 54.868 -4.462 1.00 29.23 144 A 1 ATOM 1122 C CB . ALA A 1 144 ? 18.547 53.630 -1.588 1.00 29.97 144 A 1 ATOM 1123 N N . PRO A 1 145 ? 15.794 53.534 -3.114 1.00 23.54 145 A 1 ATOM 1124 C CA . PRO A 1 145 ? 15.474 52.476 -2.115 1.00 27.48 145 A 1 ATOM 1125 C C . PRO A 1 145 ? 14.173 51.626 -2.368 1.00 26.40 145 A 1 ATOM 1126 O O . PRO A 1 145 ? 13.364 51.920 -3.244 1.00 24.43 145 A 1 ATOM 1127 C CB . PRO A 1 145 ? 15.249 53.326 -0.846 1.00 25.58 145 A 1 ATOM 1128 C CG . PRO A 1 145 ? 14.573 54.605 -1.372 1.00 25.09 145 A 1 ATOM 1129 C CD . PRO A 1 145 ? 14.752 54.544 -2.887 1.00 28.74 145 A 1 ATOM 1130 N N . GLN A 1 146 ? 13.936 50.655 -1.453 1.00 26.53 146 A 1 ATOM 1131 C CA . GLN A 1 146 ? 12.673 50.376 -0.708 1.00 29.05 146 A 1 ATOM 1132 C C . GLN A 1 146 ? 11.577 49.421 -1.238 1.00 27.34 146 A 1 ATOM 1133 O O . GLN A 1 146 ? 11.108 49.521 -2.364 1.00 25.80 146 A 1 ATOM 1134 C CB . GLN A 1 146 ? 12.048 51.705 -0.223 1.00 27.18 146 A 1 ATOM 1135 C CG . GLN A 1 146 ? 11.332 51.633 1.134 1.00 23.84 146 A 1 ATOM 1136 C CD . GLN A 1 146 ? 11.019 53.018 1.707 1.00 20.78 146 A 1 ATOM 1137 O OE1 . GLN A 1 146 ? 11.248 54.051 1.104 1.00 19.63 146 A 1 ATOM 1138 N NE2 . GLN A 1 146 ? 10.498 53.102 2.911 1.00 23.83 146 A 1 ATOM 1139 N N . GLY A 1 147 ? 11.085 48.605 -0.287 1.00 25.74 147 A 1 ATOM 1140 C CA . GLY A 1 147 ? 9.815 47.860 -0.273 1.00 30.03 147 A 1 ATOM 1141 C C . GLY A 1 147 ? 10.021 46.339 -0.246 1.00 28.70 147 A 1 ATOM 1142 O O . GLY A 1 147 ? 10.653 45.806 -1.147 1.00 26.13 147 A 1 ATOM 1143 N N . GLY A 1 148 ? 9.611 45.518 0.716 1.00 24.87 148 A 1 ATOM 1144 C CA . GLY A 1 148 ? 8.629 45.657 1.792 1.00 28.19 148 A 1 ATOM 1145 C C . GLY A 1 148 ? 7.668 44.458 1.733 1.00 26.76 148 A 1 ATOM 1146 O O . GLY A 1 148 ? 7.202 44.138 0.649 1.00 24.30 148 A 1 ATOM 1147 N N . MET A 1 149 ? 7.348 43.839 2.880 1.00 29.50 149 A 1 ATOM 1148 C CA . MET A 1 149 ? 6.381 42.747 3.156 1.00 33.53 149 A 1 ATOM 1149 C C . MET A 1 149 ? 6.857 41.317 2.805 1.00 32.71 149 A 1 ATOM 1150 O O . MET A 1 149 ? 7.220 41.032 1.676 1.00 30.03 149 A 1 ATOM 1151 C CB . MET A 1 149 ? 4.998 43.065 2.557 1.00 30.63 149 A 1 ATOM 1152 C CG . MET A 1 149 ? 4.368 44.320 3.186 1.00 27.86 149 A 1 ATOM 1153 S SD . MET A 1 149 ? 2.936 44.960 2.291 1.00 23.29 149 A 1 ATOM 1154 C CE . MET A 1 149 ? 2.274 46.123 3.518 1.00 21.71 149 A 1 ATOM 1155 N N . GLY A 1 150 ? 6.932 40.336 3.691 1.00 27.16 150 A 1 ATOM 1156 C CA . GLY A 1 150 ? 6.233 40.153 4.969 1.00 30.28 150 A 1 ATOM 1157 C C . GLY A 1 150 ? 4.906 39.417 4.758 1.00 28.47 150 A 1 ATOM 1158 O O . GLY A 1 150 ? 3.873 40.064 4.638 1.00 26.30 150 A 1 ATOM 1159 N N . GLY A 1 151 ? 4.934 38.086 4.681 1.00 28.72 151 A 1 ATOM 1160 C CA . GLY A 1 151 ? 3.759 37.233 4.526 1.00 32.64 151 A 1 ATOM 1161 C C . GLY A 1 151 ? 3.943 35.912 5.259 1.00 31.42 151 A 1 ATOM 1162 O O . GLY A 1 151 ? 4.497 34.974 4.705 1.00 28.64 151 A 1 ATOM 1163 N N . GLY A 1 152 ? 3.521 35.873 6.532 1.00 27.71 152 A 1 ATOM 1164 C CA . GLY A 1 152 ? 3.458 34.656 7.336 1.00 33.13 152 A 1 ATOM 1165 C C . GLY A 1 152 ? 2.227 33.829 6.968 1.00 31.81 152 A 1 ATOM 1166 O O . GLY A 1 152 ? 1.135 34.371 6.812 1.00 29.00 152 A 1 ATOM 1167 N N . TYR A 1 153 ? 2.405 32.518 6.859 1.00 39.69 153 A 1 ATOM 1168 C CA . TYR A 1 153 ? 1.322 31.547 6.732 1.00 42.92 153 A 1 ATOM 1169 C C . TYR A 1 153 ? 0.911 31.102 8.138 1.00 41.14 153 A 1 ATOM 1170 O O . TYR A 1 153 ? 1.691 30.476 8.851 1.00 37.27 153 A 1 ATOM 1171 C CB . TYR A 1 153 ? 1.776 30.389 5.832 1.00 39.39 153 A 1 ATOM 1172 C CG . TYR A 1 153 ? 2.156 30.828 4.423 1.00 35.33 153 A 1 ATOM 1173 C CD1 . TYR A 1 153 ? 1.162 30.981 3.444 1.00 31.88 153 A 1 ATOM 1174 C CD2 . TYR A 1 153 ? 3.501 31.116 4.112 1.00 31.53 153 A 1 ATOM 1175 C CE1 . TYR A 1 153 ? 1.504 31.421 2.146 1.00 29.45 153 A 1 ATOM 1176 C CE2 . TYR A 1 153 ? 3.846 31.562 2.814 1.00 33.32 153 A 1 ATOM 1177 C CZ . TYR A 1 153 ? 2.846 31.711 1.833 1.00 36.44 153 A 1 ATOM 1178 O OH . TYR A 1 153 ? 3.180 32.141 0.590 1.00 33.93 153 A 1 ATOM 1179 N N . GLY A 1 154 ? -0.292 31.492 8.561 1.00 30.13 154 A 1 ATOM 1180 C CA . GLY A 1 154 ? -0.933 31.000 9.782 1.00 35.45 154 A 1 ATOM 1181 C C . GLY A 1 154 ? -1.520 29.594 9.592 1.00 33.15 154 A 1 ATOM 1182 O O . GLY A 1 154 ? -1.749 29.181 8.450 1.00 30.25 154 A 1 ATOM 1183 N N . PRO A 1 155 ? -1.768 28.861 10.685 1.00 39.24 155 A 1 ATOM 1184 C CA . PRO A 1 155 ? -2.283 27.493 10.639 1.00 43.89 155 A 1 ATOM 1185 C C . PRO A 1 155 ? -3.775 27.454 10.265 1.00 42.54 155 A 1 ATOM 1186 O O . PRO A 1 155 ? -4.549 28.329 10.653 1.00 40.30 155 A 1 ATOM 1187 C CB . PRO A 1 155 ? -1.998 26.911 12.028 1.00 42.45 155 A 1 ATOM 1188 C CG . PRO A 1 155 ? -2.049 28.140 12.940 1.00 43.65 155 A 1 ATOM 1189 C CD . PRO A 1 155 ? -1.538 29.276 12.061 1.00 51.30 155 A 1 ATOM 1190 N N . ALA A 1 156 ? -4.155 26.429 9.509 1.00 36.18 156 A 1 ATOM 1191 C CA . ALA A 1 156 ? -5.538 26.127 9.148 1.00 40.09 156 A 1 ATOM 1192 C C . ALA A 1 156 ? -6.374 25.722 10.384 1.00 38.01 156 A 1 ATOM 1193 O O . ALA A 1 156 ? -5.823 25.105 11.296 1.00 36.80 156 A 1 ATOM 1194 C CB . ALA A 1 156 ? -5.518 25.010 8.097 1.00 38.72 156 A 1 ATOM 1195 N N . PRO A 1 157 ? -7.676 26.046 10.432 1.00 34.40 157 A 1 ATOM 1196 C CA . PRO A 1 157 ? -8.534 25.683 11.554 1.00 41.56 157 A 1 ATOM 1197 C C . PRO A 1 157 ? -8.968 24.214 11.476 1.00 41.33 157 A 1 ATOM 1198 O O . PRO A 1 157 ? -9.570 23.782 10.492 1.00 38.79 157 A 1 ATOM 1199 C CB . PRO A 1 157 ? -9.712 26.658 11.488 1.00 39.36 157 A 1 ATOM 1200 C CG . PRO A 1 157 ? -9.835 26.963 9.992 1.00 40.98 157 A 1 ATOM 1201 C CD . PRO A 1 157 ? -8.407 26.856 9.471 1.00 47.77 157 A 1 ATOM 1202 N N . ASP A 1 158 ? -8.691 23.481 12.551 1.00 51.88 158 A 1 ATOM 1203 C CA . ASP A 1 158 ? -9.336 22.213 12.888 1.00 57.63 158 A 1 ATOM 1204 C C . ASP A 1 158 ? -10.820 22.457 13.203 1.00 55.37 158 A 1 ATOM 1205 O O . ASP A 1 158 ? -11.154 23.310 14.033 1.00 49.82 158 A 1 ATOM 1206 C CB . ASP A 1 158 ? -8.644 21.590 14.116 1.00 54.86 158 A 1 ATOM 1207 C CG . ASP A 1 158 ? -7.278 20.970 13.808 1.00 49.76 158 A 1 ATOM 1208 O OD1 . ASP A 1 158 ? -7.213 20.172 12.846 1.00 45.48 158 A 1 ATOM 1209 O OD2 . ASP A 1 158 ? -6.319 21.277 14.550 1.00 45.85 158 A 1 ATOM 1210 N N . GLY A 1 159 ? -11.716 21.721 12.572 1.00 41.28 159 A 1 ATOM 1211 C CA . GLY A 1 159 ? -13.152 21.863 12.812 1.00 49.74 159 A 1 ATOM 1212 C C . GLY A 1 159 ? -14.004 20.909 11.997 1.00 50.15 159 A 1 ATOM 1213 O O . GLY A 1 159 ? -14.763 21.356 11.142 1.00 45.17 159 A 1 ATOM 1214 N N . TRP A 1 160 ? -13.868 19.605 12.244 1.00 45.19 160 A 1 ATOM 1215 C CA . TRP A 1 160 ? -14.801 18.579 11.773 1.00 48.63 160 A 1 ATOM 1216 C C . TRP A 1 160 ? -15.241 17.746 12.982 1.00 47.14 160 A 1 ATOM 1217 O O . TRP A 1 160 ? -14.812 16.620 13.168 1.00 42.12 160 A 1 ATOM 1218 C CB . TRP A 1 160 ? -14.206 17.740 10.625 1.00 47.66 160 A 1 ATOM 1219 C CG . TRP A 1 160 ? -14.047 18.433 9.290 1.00 45.20 160 A 1 ATOM 1220 C CD1 . TRP A 1 160 ? -13.375 19.591 9.079 1.00 41.00 160 A 1 ATOM 1221 C CD2 . TRP A 1 160 ? -14.568 18.046 7.978 1.00 47.35 160 A 1 ATOM 1222 N NE1 . TRP A 1 160 ? -13.449 19.953 7.752 1.00 40.48 160 A 1 ATOM 1223 C CE2 . TRP A 1 160 ? -14.172 19.030 7.015 1.00 46.34 160 A 1 ATOM 1224 C CE3 . TRP A 1 160 ? -15.330 16.963 7.501 1.00 49.92 160 A 1 ATOM 1225 C CZ2 . TRP A 1 160 ? -14.515 18.948 5.660 1.00 51.54 160 A 1 ATOM 1226 C CZ3 . TRP A 1 160 ? -15.678 16.868 6.140 1.00 44.48 160 A 1 ATOM 1227 C CH2 . TRP A 1 160 ? -15.275 17.858 5.220 1.00 46.23 160 A 1 ATOM 1228 N N . ASP A 1 161 ? -16.085 18.366 13.839 1.00 50.69 161 A 1 ATOM 1229 C CA . ASP A 1 161 ? -16.883 17.672 14.848 1.00 56.70 161 A 1 ATOM 1230 C C . ASP A 1 161 ? -18.148 17.129 14.168 1.00 52.87 161 A 1 ATOM 1231 O O . ASP A 1 161 ? -19.170 17.807 14.081 1.00 49.58 161 A 1 ATOM 1232 C CB . ASP A 1 161 ? -17.219 18.612 16.027 1.00 54.65 161 A 1 ATOM 1233 C CG . ASP A 1 161 ? -16.041 18.869 16.975 1.00 49.76 161 A 1 ATOM 1234 O OD1 . ASP A 1 161 ? -15.360 17.887 17.353 1.00 46.40 161 A 1 ATOM 1235 O OD2 . ASP A 1 161 ? -15.831 20.050 17.338 1.00 47.24 161 A 1 ATOM 1236 N N . ASP A 1 162 ? -18.084 15.910 13.641 1.00 53.84 162 A 1 ATOM 1237 C CA . ASP A 1 162 ? -19.271 15.131 13.277 1.00 59.21 162 A 1 ATOM 1238 C C . ASP A 1 162 ? -19.744 14.322 14.496 1.00 56.96 162 A 1 ATOM 1239 O O . ASP A 1 162 ? -19.506 13.117 14.635 1.00 52.58 162 A 1 ATOM 1240 C CB . ASP A 1 162 ? -19.033 14.276 12.016 1.00 56.67 162 A 1 ATOM 1241 C CG . ASP A 1 162 ? -19.399 14.973 10.694 1.00 52.02 162 A 1 ATOM 1242 O OD1 . ASP A 1 162 ? -20.373 15.755 10.677 1.00 47.77 162 A 1 ATOM 1243 O OD2 . ASP A 1 162 ? -18.754 14.635 9.673 1.00 48.87 162 A 1 ATOM 1244 N N . ASP A 1 163 ? -20.436 15.010 15.415 1.00 55.59 163 A 1 ATOM 1245 C CA . ASP A 1 163 ? -21.262 14.398 16.454 1.00 64.91 163 A 1 ATOM 1246 C C . ASP A 1 163 ? -22.480 13.716 15.810 1.00 62.19 163 A 1 ATOM 1247 O O . ASP A 1 163 ? -23.505 14.342 15.517 1.00 60.03 163 A 1 ATOM 1248 C CB . ASP A 1 163 ? -21.700 15.453 17.489 1.00 61.54 163 A 1 ATOM 1249 C CG . ASP A 1 163 ? -20.728 15.643 18.658 1.00 56.35 163 A 1 ATOM 1250 O OD1 . ASP A 1 163 ? -20.195 14.613 19.146 1.00 52.15 163 A 1 ATOM 1251 O OD2 . ASP A 1 163 ? -20.631 16.788 19.146 1.00 53.13 163 A 1 ATOM 1252 N N . ILE A 1 164 ? -22.394 12.404 15.594 1.00 48.78 164 A 1 ATOM 1253 C CA . ILE A 1 164 ? -23.552 11.571 15.250 1.00 54.76 164 A 1 ATOM 1254 C C . ILE A 1 164 ? -24.352 11.306 16.539 1.00 51.73 164 A 1 ATOM 1255 O O . ILE A 1 164 ? -23.870 10.577 17.411 1.00 48.82 164 A 1 ATOM 1256 C CB . ILE A 1 164 ? -23.121 10.260 14.552 1.00 53.52 164 A 1 ATOM 1257 C CG1 . ILE A 1 164 ? -22.335 10.566 13.253 1.00 49.63 164 A 1 ATOM 1258 C CG2 . ILE A 1 164 ? -24.358 9.393 14.250 1.00 49.73 164 A 1 ATOM 1259 C CD1 . ILE A 1 164 ? -21.782 9.320 12.543 1.00 46.12 164 A 1 ATOM 1260 N N . PRO A 1 165 ? -25.590 11.837 16.702 1.00 42.04 165 A 1 ATOM 1261 C CA . PRO A 1 165 ? -26.392 11.571 17.888 1.00 48.47 165 A 1 ATOM 1262 C C . PRO A 1 165 ? -26.951 10.146 17.849 1.00 47.68 165 A 1 ATOM 1263 O O . PRO A 1 165 ? -27.834 9.818 17.052 1.00 44.44 165 A 1 ATOM 1264 C CB . PRO A 1 165 ? -27.472 12.658 17.904 1.00 46.43 165 A 1 ATOM 1265 C CG . PRO A 1 165 ? -27.645 13.007 16.423 1.00 46.47 165 A 1 ATOM 1266 C CD . PRO A 1 165 ? -26.257 12.784 15.825 1.00 53.28 165 A 1 ATOM 1267 N N . PHE A 1 166 ? -26.479 9.296 18.756 1.00 44.25 166 A 1 ATOM 1268 C CA . PHE A 1 166 ? -27.126 8.020 19.059 1.00 49.02 166 A 1 ATOM 1269 C C . PHE A 1 166 ? -28.495 8.283 19.704 1.00 47.07 166 A 1 ATOM 1270 O O . PHE A 1 166 ? -28.583 8.677 20.870 1.00 44.90 166 A 1 ATOM 1271 C CB . PHE A 1 166 ? -26.228 7.165 19.970 1.00 46.68 166 A 1 ATOM 1272 C CG . PHE A 1 166 ? -25.197 6.339 19.229 1.00 43.23 166 A 1 ATOM 1273 C CD1 . PHE A 1 166 ? -25.507 5.020 18.841 1.00 40.48 166 A 1 ATOM 1274 C CD2 . PHE A 1 166 ? -23.933 6.875 18.922 1.00 40.27 166 A 1 ATOM 1275 C CE1 . PHE A 1 166 ? -24.557 4.242 18.159 1.00 36.25 166 A 1 ATOM 1276 C CE2 . PHE A 1 166 ? -22.985 6.098 18.231 1.00 37.85 166 A 1 ATOM 1277 C CZ . PHE A 1 166 ? -23.296 4.779 17.851 1.00 39.93 166 A 1 ATOM 1278 N N . MET A 1 167 ? -29.588 8.028 18.982 1.00 41.30 167 A 1 ATOM 1279 C CA . MET A 1 167 ? -30.928 7.955 19.569 1.00 45.60 167 A 1 ATOM 1280 C C . MET A 1 167 ? -30.996 6.771 20.540 1.00 44.12 167 A 1 ATOM 1281 O O . MET A 1 167 ? -30.956 5.606 20.143 1.00 44.40 167 A 1 ATOM 1282 C CB . MET A 1 167 ? -32.020 7.840 18.490 1.00 47.03 167 A 1 ATOM 1283 C CG . MET A 1 167 ? -32.385 9.203 17.888 1.00 45.54 167 A 1 ATOM 1284 S SD . MET A 1 167 ? -33.877 9.127 16.858 1.00 42.88 167 A 1 ATOM 1285 C CE . MET A 1 167 ? -34.027 10.862 16.405 1.00 37.73 167 A 1 ATOM 1286 N N . ARG A 1 168 ? -31.156 7.076 21.837 1.00 41.73 168 A 1 ATOM 1287 C CA . ARG A 1 168 ? -31.572 6.124 22.870 1.00 44.66 168 A 1 ATOM 1288 C C . ARG A 1 168 ? -32.982 5.627 22.549 1.00 40.76 168 A 1 ATOM 1289 O O . ARG A 1 168 ? -33.940 6.397 22.641 1.00 39.71 168 A 1 ATOM 1290 C CB . ARG A 1 168 ? -31.561 6.787 24.260 1.00 45.42 168 A 1 ATOM 1291 C CG . ARG A 1 168 ? -30.188 6.767 24.949 1.00 40.66 168 A 1 ATOM 1292 C CD . ARG A 1 168 ? -30.313 7.400 26.342 1.00 38.50 168 A 1 ATOM 1293 N NE . ARG A 1 168 ? -29.086 7.226 27.143 1.00 34.00 168 A 1 ATOM 1294 C CZ . ARG A 1 168 ? -28.903 7.620 28.391 1.00 29.19 168 A 1 ATOM 1295 N NH1 . ARG A 1 168 ? -29.823 8.260 29.059 1.00 26.73 168 A 1 ATOM 1296 N NH2 . ARG A 1 168 ? -27.775 7.383 29.005 1.00 27.31 168 A 1 ATOM 1297 N N . LEU A 1 169 ? -33.117 4.336 22.251 1.00 34.26 169 A 1 ATOM 1298 C CA . LEU A 1 169 ? -34.410 3.660 22.288 1.00 44.88 169 A 1 ATOM 1299 C C . LEU A 1 169 ? -34.817 3.468 23.756 1.00 42.89 169 A 1 ATOM 1300 O O . LEU A 1 169 ? -34.213 2.678 24.486 1.00 42.31 169 A 1 ATOM 1301 C CB . LEU A 1 169 ? -34.361 2.335 21.496 1.00 44.99 169 A 1 ATOM 1302 C CG . LEU A 1 169 ? -35.518 2.200 20.490 1.00 42.52 169 A 1 ATOM 1303 C CD1 . LEU A 1 169 ? -35.198 2.933 19.188 1.00 40.03 169 A 1 ATOM 1304 C CD2 . LEU A 1 169 ? -35.786 0.737 20.156 1.00 46.63 169 A 1 ATOM 1305 N N . HIS A 1 170 ? -35.802 4.229 24.209 1.00 43.78 170 A 1 ATOM 1306 C CA . HIS A 1 170 ? -36.414 4.056 25.525 1.00 50.18 170 A 1 ATOM 1307 C C . HIS A 1 170 ? -37.288 2.798 25.561 1.00 44.56 170 A 1 ATOM 1308 O O . HIS A 1 170 ? -38.065 2.512 24.649 1.00 43.58 170 A 1 ATOM 1309 C CB . HIS A 1 170 ? -37.183 5.322 25.935 1.00 48.40 170 A 1 ATOM 1310 C CG . HIS A 1 170 ? -36.308 6.324 26.648 1.00 45.72 170 A 1 ATOM 1311 N ND1 . HIS A 1 170 ? -36.183 6.435 28.013 1.00 41.95 170 A 1 ATOM 1312 C CD2 . HIS A 1 170 ? -35.490 7.264 26.097 1.00 40.92 170 A 1 ATOM 1313 C CE1 . HIS A 1 170 ? -35.312 7.424 28.274 1.00 41.94 170 A 1 ATOM 1314 N NE2 . HIS A 1 170 ? -34.851 7.956 27.138 1.00 41.97 170 A 1 ATOM 1315 N N . HIS A 1 171 ? -37.122 2.071 26.664 1.00 38.28 171 A 1 ATOM 1316 C CA . HIS A 1 171 ? -38.021 1.093 27.268 1.00 50.15 171 A 1 ATOM 1317 C C . HIS A 1 171 ? -39.515 1.339 26.976 1.00 45.34 171 A 1 ATOM 1318 O O . HIS A 1 171 ? -40.036 2.411 27.283 1.00 44.81 171 A 1 ATOM 1319 C CB . HIS A 1 171 ? -37.812 1.213 28.792 1.00 48.26 171 A 1 ATOM 1320 C CG . HIS A 1 171 ? -37.165 0.036 29.462 1.00 43.85 171 A 1 ATOM 1321 N ND1 . HIS A 1 171 ? -35.913 -0.476 29.215 1.00 39.89 171 A 1 ATOM 1322 C CD2 . HIS A 1 171 ? -37.699 -0.681 30.500 1.00 37.97 171 A 1 ATOM 1323 C CE1 . HIS A 1 171 ? -35.709 -1.493 30.079 1.00 38.15 171 A 1 ATOM 1324 N NE2 . HIS A 1 171 ? -36.760 -1.641 30.886 1.00 38.31 171 A 1 ATOM 1325 N N . LEU A 1 172 ? -40.218 0.297 26.534 1.00 31.63 172 A 1 ATOM 1326 C CA . LEU A 1 172 ? -41.624 0.069 26.870 1.00 45.22 172 A 1 ATOM 1327 C C . LEU A 1 172 ? -41.738 -1.334 27.479 1.00 41.21 172 A 1 ATOM 1328 O O . LEU A 1 172 ? -41.732 -2.346 26.784 1.00 38.93 172 A 1 ATOM 1329 C CB . LEU A 1 172 ? -42.529 0.312 25.646 1.00 44.14 172 A 1 ATOM 1330 C CG . LEU A 1 172 ? -43.102 1.745 25.626 1.00 41.16 172 A 1 ATOM 1331 C CD1 . LEU A 1 172 ? -43.401 2.187 24.196 1.00 38.77 172 A 1 ATOM 1332 C CD2 . LEU A 1 172 ? -44.401 1.832 26.437 1.00 43.35 172 A 1 ATOM 1333 N N . ALA A 1 173 ? -41.789 -1.353 28.799 1.00 33.66 173 A 1 ATOM 1334 C CA . ALA A 1 173 ? -42.312 -2.450 29.602 1.00 45.56 173 A 1 ATOM 1335 C C . ALA A 1 173 ? -43.746 -2.093 30.005 1.00 42.97 173 A 1 ATOM 1336 O O . ALA A 1 173 ? -44.009 -0.933 30.336 1.00 39.57 173 A 1 ATOM 1337 C CB . ALA A 1 173 ? -41.420 -2.639 30.836 1.00 43.75 173 A 1 ATOM 1338 N N . GLY A 1 174 ? -44.628 -3.100 30.036 1.00 29.17 174 A 1 ATOM 1339 C CA . GLY A 1 174 ? -45.847 -3.060 30.851 1.00 39.14 174 A 1 ATOM 1340 C C . GLY A 1 174 ? -47.162 -3.211 30.087 1.00 37.34 174 A 1 ATOM 1341 O O . GLY A 1 174 ? -47.532 -2.337 29.314 1.00 32.29 174 A 1 ATOM 1342 N N . GLY A 1 175 ? -47.892 -4.304 30.401 1.00 25.34 175 A 1 ATOM 1343 C CA . GLY A 1 175 ? -49.284 -4.536 30.018 1.00 20.02 175 A 1 ATOM 1344 C C . GLY A 1 175 ? -49.595 -6.017 29.935 1.00 20.98 175 A 1 ATOM 1345 O O . GLY A 1 175 ? -49.543 -6.548 28.820 1.00 12.55 175 A 1 ATOM 1346 O OXT . GLY A 1 175 ? -49.866 -6.587 31.037 1.00 21.42 175 A 1 #