# 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_acric6 # _entry.id acric6 # 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 THR 2 1 n GLU 3 1 n SER 4 1 n LEU 5 1 n ILE 6 1 n HIS 7 1 n LEU 8 1 n ARG 9 1 n VAL 10 1 n PRO 11 1 n ALA 12 1 n ALA 13 1 n THR 14 1 n LYS 15 1 n GLY 16 1 n ARG 17 1 n TRP 18 1 n VAL 19 1 n ARG 20 1 n ALA 21 1 n SER 22 1 n ARG 23 1 n ALA 24 1 n VAL 25 1 n GLY 26 1 n LEU 27 1 n ARG 28 1 n LEU 29 1 n THR 30 1 n ASP 31 1 n TYR 32 1 n ILE 33 1 n THR 34 1 n GLN 35 1 n ALA 36 1 n VAL 37 1 n GLU 38 1 n ALA 39 1 n TYR 40 1 n MET 41 1 n GLN 42 1 n GLN 43 1 n GLN 44 1 n LEU 45 1 n THR 46 1 n ARG 47 1 n VAL 48 1 n ALA 49 1 n ILE 50 1 n PRO 51 1 n ASP 52 1 n ASP 53 1 n ILE 54 1 n GLU 55 1 n PHE 56 1 n SER 57 1 n ASP 58 1 n LEU 59 1 n LYS 60 1 n LEU 61 1 n ALA 62 1 n ARG 63 1 n ASP 64 1 n PRO 65 1 n ASP 66 1 n GLY 67 1 n ALA 68 1 n VAL 69 1 n SER 70 1 n PHE 71 1 n ASP 72 1 n TRP 73 1 n ALA 74 1 n VAL 75 1 n ILE 76 1 n GLU 77 1 n ARG 78 1 n ILE 79 1 n CYS 80 1 n HIS 81 1 n ALA 82 1 n SER 83 1 n GLY 84 1 n LEU 85 1 n PRO 86 1 n LEU 87 1 n GLU 88 1 n MET 89 1 n MET 90 1 n ARG 91 1 n ASP 92 1 n ALA 93 1 n PRO 94 1 n GLU 95 1 n ASP 96 1 n ASN 97 1 n VAL 98 1 n ALA 99 1 n SER 100 1 n LEU 101 1 n ILE 102 1 n ILE 103 1 n GLY 104 1 n TRP 105 1 n TYR 106 1 n GLN 107 1 n ALA 108 1 n HIS 109 1 n ARG 110 1 n ALA 111 1 n ASP 112 1 n GLY 113 1 n GLY 114 1 n ALA 115 1 n ALA 116 1 n ASP 117 1 n PRO 118 1 n VAL 119 1 n ALA 120 1 n ASP 121 1 n ASP 122 1 n LEU 123 1 n ILE 124 1 n ALA 125 1 n GLU 126 1 n ALA 127 1 n MET 128 1 n ALA 129 1 n GLU 130 1 n ASP 131 1 n ALA 132 1 n ALA 133 1 n GLY 134 1 n GLN 135 1 n GLN 136 1 n PHE 137 1 n SER 138 1 n HIS 139 1 n GLN 140 1 n PRO 141 1 n GLY 142 1 n ARG 143 1 n ALA 144 # _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 @ 2025-04-06 19:37:46)" _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 84.47 _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 67.51 1 1 A THR 2 2 81.33 1 2 A GLU 3 2 80.30 1 3 A SER 4 2 86.08 1 4 A LEU 5 2 86.20 1 5 A ILE 6 2 86.77 1 6 A HIS 7 2 79.64 1 7 A LEU 8 2 88.87 1 8 A ARG 9 2 83.29 1 9 A VAL 10 2 95.61 1 10 A PRO 11 2 97.45 1 11 A ALA 12 2 97.31 1 12 A ALA 13 2 97.29 1 13 A THR 14 2 96.87 1 14 A LYS 15 2 93.88 1 15 A GLY 16 2 97.62 1 16 A ARG 17 2 88.71 1 17 A TRP 18 2 95.48 1 18 A VAL 19 2 97.22 1 19 A ARG 20 2 89.84 1 20 A ALA 21 2 97.01 1 21 A SER 22 2 97.24 1 22 A ARG 23 2 86.54 1 23 A ALA 24 2 97.57 1 24 A VAL 25 2 96.74 1 25 A GLY 26 2 97.72 1 26 A LEU 27 2 96.54 1 27 A ARG 28 2 83.62 1 28 A LEU 29 2 95.91 1 29 A THR 30 2 93.47 1 30 A ASP 31 2 94.41 1 31 A TYR 32 2 95.95 1 32 A ILE 33 2 95.79 1 33 A THR 34 2 92.40 1 34 A GLN 35 2 92.18 1 35 A ALA 36 2 93.02 1 36 A VAL 37 2 88.48 1 37 A GLU 38 2 77.57 1 38 A ALA 39 2 83.39 1 39 A TYR 40 2 78.77 1 40 A MET 41 2 71.22 1 41 A GLN 42 2 66.98 1 42 A GLN 43 2 69.64 1 43 A GLN 44 2 68.45 1 44 A LEU 45 2 69.81 1 45 A THR 46 2 69.80 1 46 A ARG 47 2 65.98 1 47 A VAL 48 2 81.55 1 48 A ALA 49 2 87.57 1 49 A ILE 50 2 87.99 1 50 A PRO 51 2 91.75 1 51 A ASP 52 2 86.57 1 52 A ASP 53 2 92.23 1 53 A ILE 54 2 90.94 1 54 A GLU 55 2 87.70 1 55 A PHE 56 2 95.83 1 56 A SER 57 2 96.22 1 57 A ASP 58 2 96.26 1 58 A LEU 59 2 93.95 1 59 A LYS 60 2 92.98 1 60 A LEU 61 2 93.54 1 61 A ALA 62 2 95.28 1 62 A ARG 63 2 86.16 1 63 A ASP 64 2 91.02 1 64 A PRO 65 2 93.69 1 65 A ASP 66 2 90.28 1 66 A GLY 67 2 90.23 1 67 A ALA 68 2 90.55 1 68 A VAL 69 2 90.81 1 69 A SER 70 2 93.32 1 70 A PHE 71 2 94.38 1 71 A ASP 72 2 95.67 1 72 A TRP 73 2 92.06 1 73 A ALA 74 2 96.52 1 74 A VAL 75 2 96.45 1 75 A ILE 76 2 94.57 1 76 A GLU 77 2 89.63 1 77 A ARG 78 2 88.34 1 78 A ILE 79 2 93.72 1 79 A CYS 80 2 92.33 1 80 A HIS 81 2 86.83 1 81 A ALA 82 2 91.84 1 82 A SER 83 2 89.25 1 83 A GLY 84 2 88.21 1 84 A LEU 85 2 85.81 1 85 A PRO 86 2 87.02 1 86 A LEU 87 2 88.04 1 87 A GLU 88 2 82.12 1 88 A MET 89 2 77.67 1 89 A MET 90 2 84.51 1 90 A ARG 91 2 76.92 1 91 A ASP 92 2 81.56 1 92 A ALA 93 2 76.03 1 93 A PRO 94 2 75.58 1 94 A GLU 95 2 73.97 1 95 A ASP 96 2 74.75 1 96 A ASN 97 2 81.75 1 97 A VAL 98 2 88.63 1 98 A ALA 99 2 89.90 1 99 A SER 100 2 85.50 1 100 A LEU 101 2 89.72 1 101 A ILE 102 2 92.66 1 102 A ILE 103 2 89.62 1 103 A GLY 104 2 89.77 1 104 A TRP 105 2 93.24 1 105 A TYR 106 2 94.05 1 106 A GLN 107 2 86.77 1 107 A ALA 108 2 89.71 1 108 A HIS 109 2 91.89 1 109 A ARG 110 2 88.89 1 110 A ALA 111 2 90.65 1 111 A ASP 112 2 87.73 1 112 A GLY 113 2 94.31 1 113 A GLY 114 2 95.29 1 114 A ALA 115 2 95.66 1 115 A ALA 116 2 96.11 1 116 A ASP 117 2 95.56 1 117 A PRO 118 2 94.99 1 118 A VAL 119 2 94.39 1 119 A ALA 120 2 94.63 1 120 A ASP 121 2 93.57 1 121 A ASP 122 2 87.75 1 122 A LEU 123 2 85.74 1 123 A ILE 124 2 87.71 1 124 A ALA 125 2 89.53 1 125 A GLU 126 2 82.96 1 126 A ALA 127 2 83.71 1 127 A MET 128 2 81.29 1 128 A ALA 129 2 86.34 1 129 A GLU 130 2 78.25 1 130 A ASP 131 2 78.69 1 131 A ALA 132 2 87.11 1 132 A ALA 133 2 84.83 1 133 A GLY 134 2 77.92 1 134 A GLN 135 2 62.94 1 135 A GLN 136 2 50.92 1 136 A PHE 137 2 47.39 1 137 A SER 138 2 50.32 1 138 A HIS 139 2 40.62 1 139 A GLN 140 2 42.76 1 140 A PRO 141 2 40.22 1 141 A GLY 142 2 36.26 1 142 A ARG 143 2 25.90 1 143 A ALA 144 2 21.70 1 144 # _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 THR . 2 A 2 A 3 1 n GLU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n HIS . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n ARG . 17 A 17 A 18 1 n TRP . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n ARG . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n GLY . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n ARG . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n THR . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n TYR . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n THR . 34 A 34 A 35 1 n GLN . 35 A 35 A 36 1 n ALA . 36 A 36 A 37 1 n VAL . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n ALA . 39 A 39 A 40 1 n TYR . 40 A 40 A 41 1 n MET . 41 A 41 A 42 1 n GLN . 42 A 42 A 43 1 n GLN . 43 A 43 A 44 1 n GLN . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n THR . 46 A 46 A 47 1 n ARG . 47 A 47 A 48 1 n VAL . 48 A 48 A 49 1 n ALA . 49 A 49 A 50 1 n ILE . 50 A 50 A 51 1 n PRO . 51 A 51 A 52 1 n ASP . 52 A 52 A 53 1 n ASP . 53 A 53 A 54 1 n ILE . 54 A 54 A 55 1 n GLU . 55 A 55 A 56 1 n PHE . 56 A 56 A 57 1 n SER . 57 A 57 A 58 1 n ASP . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n ALA . 62 A 62 A 63 1 n ARG . 63 A 63 A 64 1 n ASP . 64 A 64 A 65 1 n PRO . 65 A 65 A 66 1 n ASP . 66 A 66 A 67 1 n GLY . 67 A 67 A 68 1 n ALA . 68 A 68 A 69 1 n VAL . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n PHE . 71 A 71 A 72 1 n ASP . 72 A 72 A 73 1 n TRP . 73 A 73 A 74 1 n ALA . 74 A 74 A 75 1 n VAL . 75 A 75 A 76 1 n ILE . 76 A 76 A 77 1 n GLU . 77 A 77 A 78 1 n ARG . 78 A 78 A 79 1 n ILE . 79 A 79 A 80 1 n CYS . 80 A 80 A 81 1 n HIS . 81 A 81 A 82 1 n ALA . 82 A 82 A 83 1 n SER . 83 A 83 A 84 1 n GLY . 84 A 84 A 85 1 n LEU . 85 A 85 A 86 1 n PRO . 86 A 86 A 87 1 n LEU . 87 A 87 A 88 1 n GLU . 88 A 88 A 89 1 n MET . 89 A 89 A 90 1 n MET . 90 A 90 A 91 1 n ARG . 91 A 91 A 92 1 n ASP . 92 A 92 A 93 1 n ALA . 93 A 93 A 94 1 n PRO . 94 A 94 A 95 1 n GLU . 95 A 95 A 96 1 n ASP . 96 A 96 A 97 1 n ASN . 97 A 97 A 98 1 n VAL . 98 A 98 A 99 1 n ALA . 99 A 99 A 100 1 n SER . 100 A 100 A 101 1 n LEU . 101 A 101 A 102 1 n ILE . 102 A 102 A 103 1 n ILE . 103 A 103 A 104 1 n GLY . 104 A 104 A 105 1 n TRP . 105 A 105 A 106 1 n TYR . 106 A 106 A 107 1 n GLN . 107 A 107 A 108 1 n ALA . 108 A 108 A 109 1 n HIS . 109 A 109 A 110 1 n ARG . 110 A 110 A 111 1 n ALA . 111 A 111 A 112 1 n ASP . 112 A 112 A 113 1 n GLY . 113 A 113 A 114 1 n GLY . 114 A 114 A 115 1 n ALA . 115 A 115 A 116 1 n ALA . 116 A 116 A 117 1 n ASP . 117 A 117 A 118 1 n PRO . 118 A 118 A 119 1 n VAL . 119 A 119 A 120 1 n ALA . 120 A 120 A 121 1 n ASP . 121 A 121 A 122 1 n ASP . 122 A 122 A 123 1 n LEU . 123 A 123 A 124 1 n ILE . 124 A 124 A 125 1 n ALA . 125 A 125 A 126 1 n GLU . 126 A 126 A 127 1 n ALA . 127 A 127 A 128 1 n MET . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n GLU . 130 A 130 A 131 1 n ASP . 131 A 131 A 132 1 n ALA . 132 A 132 A 133 1 n ALA . 133 A 133 A 134 1 n GLY . 134 A 134 A 135 1 n GLN . 135 A 135 A 136 1 n GLN . 136 A 136 A 137 1 n PHE . 137 A 137 A 138 1 n SER . 138 A 138 A 139 1 n HIS . 139 A 139 A 140 1 n GLN . 140 A 140 A 141 1 n PRO . 141 A 141 A 142 1 n GLY . 142 A 142 A 143 1 n ARG . 143 A 143 A 144 1 n ALA . 144 A 144 # _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 ? -17.062 12.714 -7.051 1.00 69.17 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.360 12.327 -5.807 1.00 78.42 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.313 12.536 -4.650 1.00 80.55 1 A 1 ATOM 4 O O . MET A 1 1 ? -17.922 13.602 -4.587 1.00 76.24 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.075 13.146 -5.600 1.00 69.93 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.977 12.714 -6.573 1.00 60.64 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.363 13.460 -6.234 1.00 56.37 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.573 15.112 -6.946 1.00 48.73 1 A 1 ATOM 9 N N . THR A 1 2 ? -17.506 11.532 -3.795 1.00 81.83 2 A 1 ATOM 10 C CA . THR A 1 2 ? -18.353 11.649 -2.599 1.00 87.13 2 A 1 ATOM 11 C C . THR A 1 2 ? -17.495 12.195 -1.461 1.00 86.22 2 A 1 ATOM 12 O O . THR A 1 2 ? -16.518 11.559 -1.076 1.00 81.94 2 A 1 ATOM 13 C CB . THR A 1 2 ? -18.971 10.298 -2.223 1.00 83.34 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -19.596 9.733 -3.355 1.00 75.45 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -20.047 10.429 -1.142 1.00 73.38 2 A 1 ATOM 16 N N . GLU A 1 3 ? -17.820 13.384 -0.943 1.00 86.70 3 A 1 ATOM 17 C CA . GLU A 1 3 ? -17.122 13.972 0.200 1.00 88.84 3 A 1 ATOM 18 C C . GLU A 1 3 ? -17.714 13.462 1.521 1.00 88.91 3 A 1 ATOM 19 O O . GLU A 1 3 ? -18.926 13.291 1.658 1.00 85.87 3 A 1 ATOM 20 C CB . GLU A 1 3 ? -17.159 15.506 0.137 1.00 84.58 3 A 1 ATOM 21 C CG . GLU A 1 3 ? -16.387 16.070 -1.072 1.00 77.60 3 A 1 ATOM 22 C CD . GLU A 1 3 ? -16.315 17.608 -1.079 1.00 74.02 3 A 1 ATOM 23 O OE1 . GLU A 1 3 ? -15.530 18.143 -1.893 1.00 67.20 3 A 1 ATOM 24 O OE2 . GLU A 1 3 ? -17.032 18.251 -0.274 1.00 68.95 3 A 1 ATOM 25 N N . SER A 1 4 ? -16.858 13.242 2.528 1.00 88.18 4 A 1 ATOM 26 C CA . SER A 1 4 ? -17.250 12.851 3.884 1.00 89.12 4 A 1 ATOM 27 C C . SER A 1 4 ? -16.667 13.829 4.900 1.00 90.00 4 A 1 ATOM 28 O O . SER A 1 4 ? -15.522 14.264 4.782 1.00 87.62 4 A 1 ATOM 29 C CB . SER A 1 4 ? -16.801 11.419 4.189 1.00 85.68 4 A 1 ATOM 30 O OG . SER A 1 4 ? -17.544 10.511 3.392 1.00 75.86 4 A 1 ATOM 31 N N . LEU A 1 5 ? -17.457 14.189 5.924 1.00 91.07 5 A 1 ATOM 32 C CA . LEU A 1 5 ? -17.050 15.142 6.956 1.00 92.08 5 A 1 ATOM 33 C C . LEU A 1 5 ? -16.442 14.416 8.167 1.00 91.91 5 A 1 ATOM 34 O O . LEU A 1 5 ? -17.080 13.547 8.763 1.00 90.39 5 A 1 ATOM 35 C CB . LEU A 1 5 ? -18.267 16.006 7.337 1.00 90.43 5 A 1 ATOM 36 C CG . LEU A 1 5 ? -17.946 17.132 8.336 1.00 80.86 5 A 1 ATOM 37 C CD1 . LEU A 1 5 ? -17.008 18.189 7.759 1.00 76.71 5 A 1 ATOM 38 C CD2 . LEU A 1 5 ? -19.247 17.832 8.738 1.00 76.19 5 A 1 ATOM 39 N N . ILE A 1 6 ? -15.245 14.833 8.593 1.00 90.92 6 A 1 ATOM 40 C CA . ILE A 1 6 ? -14.564 14.328 9.793 1.00 90.54 6 A 1 ATOM 41 C C . ILE A 1 6 ? -14.507 15.436 10.852 1.00 91.10 6 A 1 ATOM 42 O O . ILE A 1 6 ? -13.972 16.523 10.622 1.00 89.83 6 A 1 ATOM 43 C CB . ILE A 1 6 ? -13.159 13.767 9.455 1.00 87.70 6 A 1 ATOM 44 C CG1 . ILE A 1 6 ? -13.253 12.643 8.392 1.00 83.32 6 A 1 ATOM 45 C CG2 . ILE A 1 6 ? -12.477 13.253 10.739 1.00 82.52 6 A 1 ATOM 46 C CD1 . ILE A 1 6 ? -11.897 12.090 7.932 1.00 78.26 6 A 1 ATOM 47 N N . HIS A 1 7 ? -15.026 15.163 12.051 1.00 91.03 7 A 1 ATOM 48 C CA . HIS A 1 7 ? -14.957 16.074 13.194 1.00 91.71 7 A 1 ATOM 49 C C . HIS A 1 7 ? -13.830 15.679 14.157 1.00 91.93 7 A 1 ATOM 50 O O . HIS A 1 7 ? -13.896 14.647 14.824 1.00 89.85 7 A 1 ATOM 51 C CB . HIS A 1 7 ? -16.303 16.112 13.922 1.00 88.98 7 A 1 ATOM 52 C CG . HIS A 1 7 ? -17.380 16.823 13.143 1.00 79.04 7 A 1 ATOM 53 N ND1 . HIS A 1 7 ? -17.528 18.191 13.029 1.00 67.40 7 A 1 ATOM 54 C CD2 . HIS A 1 7 ? -18.411 16.237 12.468 1.00 65.66 7 A 1 ATOM 55 C CE1 . HIS A 1 7 ? -18.635 18.421 12.304 1.00 64.64 7 A 1 ATOM 56 N NE2 . HIS A 1 7 ? -19.207 17.265 11.944 1.00 66.19 7 A 1 ATOM 57 N N . LEU A 1 8 ? -12.829 16.551 14.320 1.00 92.26 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -11.707 16.346 15.241 1.00 92.77 8 A 1 ATOM 59 C C . LEU A 1 8 ? -11.840 17.237 16.486 1.00 94.79 8 A 1 ATOM 60 O O . LEU A 1 8 ? -11.920 18.465 16.391 1.00 93.96 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -10.378 16.595 14.505 1.00 89.79 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -10.097 15.648 13.319 1.00 85.71 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -8.787 16.058 12.651 1.00 80.98 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -9.978 14.187 13.764 1.00 80.68 8 A 1 ATOM 65 N N . ARG A 1 9 ? -11.792 16.634 17.673 1.00 94.43 9 A 1 ATOM 66 C CA . ARG A 1 9 ? -11.639 17.339 18.957 1.00 95.97 9 A 1 ATOM 67 C C . ARG A 1 9 ? -10.215 17.138 19.466 1.00 96.60 9 A 1 ATOM 68 O O . ARG A 1 9 ? -9.848 16.042 19.862 1.00 96.18 9 A 1 ATOM 69 C CB . ARG A 1 9 ? -12.677 16.859 19.986 1.00 95.57 9 A 1 ATOM 70 C CG . ARG A 1 9 ? -14.105 17.276 19.609 1.00 87.96 9 A 1 ATOM 71 C CD . ARG A 1 9 ? -15.075 16.870 20.725 1.00 84.30 9 A 1 ATOM 72 N NE . ARG A 1 9 ? -16.466 17.241 20.409 1.00 74.85 9 A 1 ATOM 73 C CZ . ARG A 1 9 ? -17.523 17.046 21.178 1.00 67.58 9 A 1 ATOM 74 N NH1 . ARG A 1 9 ? -17.427 16.487 22.354 1.00 62.90 9 A 1 ATOM 75 N NH2 . ARG A 1 9 ? -18.708 17.405 20.771 1.00 59.86 9 A 1 ATOM 76 N N . VAL A 1 10 ? -9.430 18.214 19.476 1.00 95.98 10 A 1 ATOM 77 C CA . VAL A 1 10 ? -8.026 18.197 19.916 1.00 96.68 10 A 1 ATOM 78 C C . VAL A 1 10 ? -7.763 19.297 20.948 1.00 97.71 10 A 1 ATOM 79 O O . VAL A 1 10 ? -8.439 20.335 20.921 1.00 97.74 10 A 1 ATOM 80 C CB . VAL A 1 10 ? -7.045 18.304 18.730 1.00 95.72 10 A 1 ATOM 81 C CG1 . VAL A 1 10 ? -7.195 17.119 17.774 1.00 93.10 10 A 1 ATOM 82 C CG2 . VAL A 1 10 ? -7.209 19.606 17.930 1.00 92.33 10 A 1 ATOM 83 N N . PRO A 1 11 ? -6.779 19.136 21.854 1.00 97.47 11 A 1 ATOM 84 C CA . PRO A 1 11 ? -6.383 20.187 22.788 1.00 97.46 11 A 1 ATOM 85 C C . PRO A 1 11 ? -5.992 21.483 22.062 1.00 97.70 11 A 1 ATOM 86 O O . PRO A 1 11 ? -5.365 21.455 21.002 1.00 97.70 11 A 1 ATOM 87 C CB . PRO A 1 11 ? -5.205 19.611 23.585 1.00 97.40 11 A 1 ATOM 88 C CG . PRO A 1 11 ? -5.419 18.100 23.503 1.00 96.98 11 A 1 ATOM 89 C CD . PRO A 1 11 ? -6.018 17.915 22.110 1.00 97.47 11 A 1 ATOM 90 N N . ALA A 1 12 ? -6.304 22.638 22.669 1.00 97.27 12 A 1 ATOM 91 C CA . ALA A 1 12 ? -6.020 23.946 22.063 1.00 97.36 12 A 1 ATOM 92 C C . ALA A 1 12 ? -4.529 24.136 21.711 1.00 97.57 12 A 1 ATOM 93 O O . ALA A 1 12 ? -4.202 24.678 20.653 1.00 97.34 12 A 1 ATOM 94 C CB . ALA A 1 12 ? -6.505 25.038 23.024 1.00 97.00 12 A 1 ATOM 95 N N . ALA A 1 13 ? -3.625 23.628 22.556 1.00 97.18 13 A 1 ATOM 96 C CA . ALA A 1 13 ? -2.185 23.657 22.299 1.00 97.30 13 A 1 ATOM 97 C C . ALA A 1 13 ? -1.793 22.847 21.046 1.00 97.51 13 A 1 ATOM 98 O O . ALA A 1 13 ? -1.010 23.321 20.219 1.00 97.20 13 A 1 ATOM 99 C CB . ALA A 1 13 ? -1.466 23.137 23.549 1.00 97.26 13 A 1 ATOM 100 N N . THR A 1 14 ? -2.393 21.668 20.864 1.00 97.65 14 A 1 ATOM 101 C CA . THR A 1 14 ? -2.186 20.813 19.683 1.00 97.41 14 A 1 ATOM 102 C C . THR A 1 14 ? -2.681 21.509 18.423 1.00 97.59 14 A 1 ATOM 103 O O . THR A 1 14 ? -1.913 21.651 17.471 1.00 97.39 14 A 1 ATOM 104 C CB . THR A 1 14 ? -2.883 19.456 19.854 1.00 96.97 14 A 1 ATOM 105 O OG1 . THR A 1 14 ? -2.362 18.823 21.000 1.00 95.67 14 A 1 ATOM 106 C CG2 . THR A 1 14 ? -2.654 18.508 18.679 1.00 95.43 14 A 1 ATOM 107 N N . LYS A 1 15 ? -3.919 22.038 18.442 1.00 97.90 15 A 1 ATOM 108 C CA . LYS A 1 15 ? -4.469 22.829 17.331 1.00 97.74 15 A 1 ATOM 109 C C . LYS A 1 15 ? -3.553 24.004 16.978 1.00 97.82 15 A 1 ATOM 110 O O . LYS A 1 15 ? -3.236 24.205 15.812 1.00 97.83 15 A 1 ATOM 111 C CB . LYS A 1 15 ? -5.888 23.300 17.687 1.00 97.11 15 A 1 ATOM 112 C CG . LYS A 1 15 ? -6.533 24.095 16.538 1.00 95.90 15 A 1 ATOM 113 C CD . LYS A 1 15 ? -7.950 24.569 16.893 1.00 93.26 15 A 1 ATOM 114 C CE . LYS A 1 15 ? -8.534 25.379 15.729 1.00 87.11 15 A 1 ATOM 115 N NZ . LYS A 1 15 ? -9.921 25.836 16.001 1.00 80.27 15 A 1 ATOM 116 N N . GLY A 1 16 ? -3.107 24.769 17.989 1.00 97.55 16 A 1 ATOM 117 C CA . GLY A 1 16 ? -2.207 25.908 17.778 1.00 97.54 16 A 1 ATOM 118 C C . GLY A 1 16 ? -0.876 25.513 17.129 1.00 97.83 16 A 1 ATOM 119 O O . GLY A 1 16 ? -0.391 26.217 16.244 1.00 97.56 16 A 1 ATOM 120 N N . ARG A 1 17 ? -0.302 24.369 17.521 1.00 97.90 17 A 1 ATOM 121 C CA . ARG A 1 17 ? 0.918 23.822 16.902 1.00 97.85 17 A 1 ATOM 122 C C . ARG A 1 17 ? 0.691 23.435 15.437 1.00 97.94 17 A 1 ATOM 123 O O . ARG A 1 17 ? 1.476 23.855 14.593 1.00 97.84 17 A 1 ATOM 124 C CB . ARG A 1 17 ? 1.439 22.646 17.740 1.00 97.40 17 A 1 ATOM 125 C CG . ARG A 1 17 ? 2.753 22.075 17.185 1.00 91.27 17 A 1 ATOM 126 C CD . ARG A 1 17 ? 3.346 21.004 18.120 1.00 90.17 17 A 1 ATOM 127 N NE . ARG A 1 17 ? 2.446 19.844 18.270 1.00 83.67 17 A 1 ATOM 128 C CZ . ARG A 1 17 ? 2.427 18.983 19.273 1.00 78.91 17 A 1 ATOM 129 N NH1 . ARG A 1 17 ? 3.245 19.074 20.286 1.00 71.64 17 A 1 ATOM 130 N NH2 . ARG A 1 17 ? 1.573 17.999 19.274 1.00 71.27 17 A 1 ATOM 131 N N . TRP A 1 18 ? -0.403 22.720 15.137 1.00 97.76 18 A 1 ATOM 132 C CA . TRP A 1 18 ? -0.723 22.297 13.771 1.00 97.55 18 A 1 ATOM 133 C C . TRP A 1 18 ? -1.025 23.477 12.839 1.00 97.88 18 A 1 ATOM 134 O O . TRP A 1 18 ? -0.535 23.504 11.721 1.00 97.70 18 A 1 ATOM 135 C CB . TRP A 1 18 ? -1.903 21.325 13.805 1.00 97.08 18 A 1 ATOM 136 C CG . TRP A 1 18 ? -1.681 20.001 14.477 1.00 96.84 18 A 1 ATOM 137 C CD1 . TRP A 1 18 ? -0.513 19.496 14.938 1.00 95.34 18 A 1 ATOM 138 C CD2 . TRP A 1 18 ? -2.679 18.965 14.720 1.00 95.92 18 A 1 ATOM 139 N NE1 . TRP A 1 18 ? -0.714 18.229 15.446 1.00 94.22 18 A 1 ATOM 140 C CE2 . TRP A 1 18 ? -2.034 17.849 15.327 1.00 94.94 18 A 1 ATOM 141 C CE3 . TRP A 1 18 ? -4.068 18.852 14.472 1.00 94.50 18 A 1 ATOM 142 C CZ2 . TRP A 1 18 ? -2.723 16.674 15.660 1.00 93.00 18 A 1 ATOM 143 C CZ3 . TRP A 1 18 ? -4.769 17.680 14.807 1.00 92.43 18 A 1 ATOM 144 C CH2 . TRP A 1 18 ? -4.099 16.593 15.397 1.00 91.63 18 A 1 ATOM 145 N N . VAL A 1 19 ? -1.737 24.509 13.331 1.00 97.47 19 A 1 ATOM 146 C CA . VAL A 1 19 ? -1.977 25.737 12.551 1.00 97.46 19 A 1 ATOM 147 C C . VAL A 1 19 ? -0.668 26.459 12.210 1.00 97.88 19 A 1 ATOM 148 O O . VAL A 1 19 ? -0.530 26.983 11.108 1.00 98.00 19 A 1 ATOM 149 C CB . VAL A 1 19 ? -2.940 26.679 13.300 1.00 97.27 19 A 1 ATOM 150 C CG1 . VAL A 1 19 ? -3.045 28.076 12.662 1.00 96.21 19 A 1 ATOM 151 C CG2 . VAL A 1 19 ? -4.358 26.099 13.333 1.00 96.24 19 A 1 ATOM 152 N N . ARG A 1 20 ? 0.292 26.520 13.138 1.00 97.54 20 A 1 ATOM 153 C CA . ARG A 1 20 ? 1.608 27.116 12.834 1.00 97.93 20 A 1 ATOM 154 C C . ARG A 1 20 ? 2.380 26.288 11.805 1.00 98.14 20 A 1 ATOM 155 O O . ARG A 1 20 ? 2.944 26.873 10.891 1.00 98.21 20 A 1 ATOM 156 C CB . ARG A 1 20 ? 2.443 27.301 14.110 1.00 97.96 20 A 1 ATOM 157 C CG . ARG A 1 20 ? 1.932 28.466 14.964 1.00 94.94 20 A 1 ATOM 158 C CD . ARG A 1 20 ? 2.890 28.769 16.128 1.00 93.53 20 A 1 ATOM 159 N NE . ARG A 1 20 ? 3.041 27.635 17.061 1.00 85.98 20 A 1 ATOM 160 C CZ . ARG A 1 20 ? 2.305 27.380 18.126 1.00 80.46 20 A 1 ATOM 161 N NH1 . ARG A 1 20 ? 1.263 28.098 18.442 1.00 70.24 20 A 1 ATOM 162 N NH2 . ARG A 1 20 ? 2.616 26.388 18.915 1.00 73.26 20 A 1 ATOM 163 N N . ALA A 1 21 ? 2.369 24.961 11.954 1.00 97.30 21 A 1 ATOM 164 C CA . ALA A 1 21 ? 3.047 24.057 11.027 1.00 96.74 21 A 1 ATOM 165 C C . ALA A 1 21 ? 2.455 24.136 9.610 1.00 97.22 21 A 1 ATOM 166 O O . ALA A 1 21 ? 3.208 24.322 8.660 1.00 97.17 21 A 1 ATOM 167 C CB . ALA A 1 21 ? 2.990 22.637 11.602 1.00 96.60 21 A 1 ATOM 168 N N . SER A 1 22 ? 1.122 24.102 9.469 1.00 97.47 22 A 1 ATOM 169 C CA . SER A 1 22 ? 0.467 24.200 8.157 1.00 97.47 22 A 1 ATOM 170 C C . SER A 1 22 ? 0.763 25.529 7.456 1.00 97.71 22 A 1 ATOM 171 O O . SER A 1 22 ? 1.108 25.546 6.277 1.00 97.87 22 A 1 ATOM 172 C CB . SER A 1 22 ? -1.046 23.964 8.277 1.00 97.38 22 A 1 ATOM 173 O OG . SER A 1 22 ? -1.722 25.017 8.944 1.00 95.54 22 A 1 ATOM 174 N N . ARG A 1 23 ? 0.726 26.643 8.200 1.00 97.70 23 A 1 ATOM 175 C CA . ARG A 1 23 ? 1.070 27.969 7.656 1.00 97.71 23 A 1 ATOM 176 C C . ARG A 1 23 ? 2.527 28.074 7.215 1.00 98.00 23 A 1 ATOM 177 O O . ARG A 1 23 ? 2.793 28.738 6.224 1.00 97.84 23 A 1 ATOM 178 C CB . ARG A 1 23 ? 0.771 29.057 8.691 1.00 97.32 23 A 1 ATOM 179 C CG . ARG A 1 23 ? -0.731 29.318 8.824 1.00 92.50 23 A 1 ATOM 180 C CD . ARG A 1 23 ? -0.950 30.346 9.934 1.00 88.88 23 A 1 ATOM 181 N NE . ARG A 1 23 ? -2.380 30.646 10.116 1.00 78.87 23 A 1 ATOM 182 C CZ . ARG A 1 23 ? -2.887 31.520 10.967 1.00 72.86 23 A 1 ATOM 183 N NH1 . ARG A 1 23 ? -2.130 32.214 11.774 1.00 65.51 23 A 1 ATOM 184 N NH2 . ARG A 1 23 ? -4.177 31.708 11.018 1.00 64.73 23 A 1 ATOM 185 N N . ALA A 1 24 ? 3.451 27.439 7.942 1.00 97.69 24 A 1 ATOM 186 C CA . ALA A 1 24 ? 4.873 27.461 7.596 1.00 97.55 24 A 1 ATOM 187 C C . ALA A 1 24 ? 5.162 26.813 6.229 1.00 97.77 24 A 1 ATOM 188 O O . ALA A 1 24 ? 6.096 27.227 5.553 1.00 97.24 24 A 1 ATOM 189 C CB . ALA A 1 24 ? 5.664 26.777 8.721 1.00 97.58 24 A 1 ATOM 190 N N . VAL A 1 25 ? 4.337 25.846 5.814 1.00 97.88 25 A 1 ATOM 191 C CA . VAL A 1 25 ? 4.435 25.171 4.505 1.00 97.53 25 A 1 ATOM 192 C C . VAL A 1 25 ? 3.392 25.669 3.490 1.00 97.94 25 A 1 ATOM 193 O O . VAL A 1 25 ? 3.224 25.074 2.437 1.00 97.55 25 A 1 ATOM 194 C CB . VAL A 1 25 ? 4.414 23.637 4.657 1.00 97.10 25 A 1 ATOM 195 C CG1 . VAL A 1 25 ? 5.575 23.159 5.542 1.00 94.95 25 A 1 ATOM 196 C CG2 . VAL A 1 25 ? 3.104 23.122 5.258 1.00 94.24 25 A 1 ATOM 197 N N . GLY A 1 26 ? 2.673 26.757 3.806 1.00 97.83 26 A 1 ATOM 198 C CA . GLY A 1 26 ? 1.706 27.378 2.893 1.00 97.86 26 A 1 ATOM 199 C C . GLY A 1 26 ? 0.396 26.604 2.684 1.00 98.08 26 A 1 ATOM 200 O O . GLY A 1 26 ? -0.347 26.912 1.755 1.00 97.13 26 A 1 ATOM 201 N N . LEU A 1 27 ? 0.081 25.630 3.548 1.00 97.99 27 A 1 ATOM 202 C CA . LEU A 1 27 ? -1.114 24.788 3.420 1.00 97.80 27 A 1 ATOM 203 C C . LEU A 1 27 ? -2.261 25.243 4.334 1.00 97.78 27 A 1 ATOM 204 O O . LEU A 1 27 ? -2.062 25.788 5.427 1.00 97.42 27 A 1 ATOM 205 C CB . LEU A 1 27 ? -0.754 23.318 3.687 1.00 97.46 27 A 1 ATOM 206 C CG . LEU A 1 27 ? 0.199 22.688 2.652 1.00 96.36 27 A 1 ATOM 207 C CD1 . LEU A 1 27 ? 0.558 21.271 3.102 1.00 93.61 27 A 1 ATOM 208 C CD2 . LEU A 1 27 ? -0.425 22.609 1.256 1.00 93.91 27 A 1 ATOM 209 N N . ARG A 1 28 ? -3.506 24.943 3.924 1.00 97.56 28 A 1 ATOM 210 C CA . ARG A 1 28 ? -4.656 24.953 4.833 1.00 97.19 28 A 1 ATOM 211 C C . ARG A 1 28 ? -4.498 23.832 5.862 1.00 97.43 28 A 1 ATOM 212 O O . ARG A 1 28 ? -3.906 22.795 5.588 1.00 96.84 28 A 1 ATOM 213 C CB . ARG A 1 28 ? -5.971 24.789 4.058 1.00 96.20 28 A 1 ATOM 214 C CG . ARG A 1 28 ? -6.218 25.942 3.074 1.00 88.47 28 A 1 ATOM 215 C CD . ARG A 1 28 ? -7.524 25.687 2.312 1.00 85.27 28 A 1 ATOM 216 N NE . ARG A 1 28 ? -7.824 26.789 1.380 1.00 73.60 28 A 1 ATOM 217 C CZ . ARG A 1 28 ? -8.842 26.823 0.537 1.00 67.32 28 A 1 ATOM 218 N NH1 . ARG A 1 28 ? -9.694 25.837 0.448 1.00 61.05 28 A 1 ATOM 219 N NH2 . ARG A 1 28 ? -9.025 27.854 -0.245 1.00 58.90 28 A 1 ATOM 220 N N . LEU A 1 29 ? -5.056 24.034 7.064 1.00 97.10 29 A 1 ATOM 221 C CA . LEU A 1 29 ? -4.937 23.046 8.141 1.00 96.89 29 A 1 ATOM 222 C C . LEU A 1 29 ? -5.506 21.675 7.741 1.00 97.20 29 A 1 ATOM 223 O O . LEU A 1 29 ? -4.910 20.661 8.084 1.00 97.03 29 A 1 ATOM 224 C CB . LEU A 1 29 ? -5.628 23.591 9.404 1.00 96.50 29 A 1 ATOM 225 C CG . LEU A 1 29 ? -5.606 22.616 10.596 1.00 95.67 29 A 1 ATOM 226 C CD1 . LEU A 1 29 ? -4.179 22.277 11.048 1.00 93.45 29 A 1 ATOM 227 C CD2 . LEU A 1 29 ? -6.347 23.234 11.783 1.00 93.43 29 A 1 ATOM 228 N N . THR A 1 30 ? -6.632 21.653 7.025 1.00 96.48 30 A 1 ATOM 229 C CA . THR A 1 30 ? -7.244 20.417 6.519 1.00 95.86 30 A 1 ATOM 230 C C . THR A 1 30 ? -6.288 19.680 5.586 1.00 96.35 30 A 1 ATOM 231 O O . THR A 1 30 ? -5.948 18.538 5.869 1.00 96.42 30 A 1 ATOM 232 C CB . THR A 1 30 ? -8.566 20.720 5.802 1.00 94.43 30 A 1 ATOM 233 O OG1 . THR A 1 30 ? -9.390 21.485 6.652 1.00 87.89 30 A 1 ATOM 234 C CG2 . THR A 1 30 ? -9.333 19.456 5.427 1.00 86.84 30 A 1 ATOM 235 N N . ASP A 1 31 ? -5.753 20.370 4.571 1.00 96.34 31 A 1 ATOM 236 C CA . ASP A 1 31 ? -4.848 19.776 3.578 1.00 96.13 31 A 1 ATOM 237 C C . ASP A 1 31 ? -3.566 19.257 4.243 1.00 96.76 31 A 1 ATOM 238 O O . ASP A 1 31 ? -3.103 18.159 3.954 1.00 96.85 31 A 1 ATOM 239 C CB . ASP A 1 31 ? -4.490 20.817 2.492 1.00 95.42 31 A 1 ATOM 240 C CG . ASP A 1 31 ? -5.687 21.554 1.880 1.00 93.70 31 A 1 ATOM 241 O OD1 . ASP A 1 31 ? -6.809 21.006 1.883 1.00 90.52 31 A 1 ATOM 242 O OD2 . ASP A 1 31 ? -5.511 22.753 1.545 1.00 89.55 31 A 1 ATOM 243 N N . TYR A 1 32 ? -3.024 20.019 5.220 1.00 96.76 32 A 1 ATOM 244 C CA . TYR A 1 32 ? -1.857 19.609 6.003 1.00 96.75 32 A 1 ATOM 245 C C . TYR A 1 32 ? -2.106 18.327 6.808 1.00 96.99 32 A 1 ATOM 246 O O . TYR A 1 32 ? -1.239 17.460 6.858 1.00 97.04 32 A 1 ATOM 247 C CB . TYR A 1 32 ? -1.453 20.764 6.931 1.00 97.03 32 A 1 ATOM 248 C CG . TYR A 1 32 ? -0.297 20.430 7.850 1.00 97.13 32 A 1 ATOM 249 C CD1 . TYR A 1 32 ? -0.543 19.971 9.163 1.00 94.91 32 A 1 ATOM 250 C CD2 . TYR A 1 32 ? 1.029 20.521 7.377 1.00 95.26 32 A 1 ATOM 251 C CE1 . TYR A 1 32 ? 0.533 19.600 9.993 1.00 94.48 32 A 1 ATOM 252 C CE2 . TYR A 1 32 ? 2.103 20.153 8.205 1.00 94.72 32 A 1 ATOM 253 C CZ . TYR A 1 32 ? 1.857 19.685 9.512 1.00 95.85 32 A 1 ATOM 254 O OH . TYR A 1 32 ? 2.897 19.312 10.310 1.00 94.54 32 A 1 ATOM 255 N N . ILE A 1 33 ? -3.278 18.213 7.458 1.00 97.25 33 A 1 ATOM 256 C CA . ILE A 1 33 ? -3.627 17.002 8.220 1.00 96.60 33 A 1 ATOM 257 C C . ILE A 1 33 ? -3.797 15.815 7.270 1.00 95.93 33 A 1 ATOM 258 O O . ILE A 1 33 ? -3.225 14.765 7.537 1.00 95.40 33 A 1 ATOM 259 C CB . ILE A 1 33 ? -4.881 17.226 9.095 1.00 96.48 33 A 1 ATOM 260 C CG1 . ILE A 1 33 ? -4.554 18.208 10.245 1.00 95.79 33 A 1 ATOM 261 C CG2 . ILE A 1 33 ? -5.404 15.898 9.685 1.00 95.27 33 A 1 ATOM 262 C CD1 . ILE A 1 33 ? -5.796 18.743 10.972 1.00 93.63 33 A 1 ATOM 263 N N . THR A 1 34 ? -4.523 15.989 6.163 1.00 95.97 34 A 1 ATOM 264 C CA . THR A 1 34 ? -4.719 14.933 5.158 1.00 94.57 34 A 1 ATOM 265 C C . THR A 1 34 ? -3.376 14.451 4.609 1.00 93.89 34 A 1 ATOM 266 O O . THR A 1 34 ? -3.071 13.270 4.716 1.00 93.03 34 A 1 ATOM 267 C CB . THR A 1 34 ? -5.634 15.420 4.022 1.00 93.30 34 A 1 ATOM 268 O OG1 . THR A 1 34 ? -6.872 15.834 4.557 1.00 89.04 34 A 1 ATOM 269 C CG2 . THR A 1 34 ? -5.943 14.322 3.010 1.00 86.98 34 A 1 ATOM 270 N N . GLN A 1 35 ? -2.513 15.360 4.150 1.00 94.79 35 A 1 ATOM 271 C CA . GLN A 1 35 ? -1.180 14.994 3.648 1.00 94.07 35 A 1 ATOM 272 C C . GLN A 1 35 ? -0.311 14.301 4.703 1.00 93.21 35 A 1 ATOM 273 O O . GLN A 1 35 ? 0.446 13.393 4.376 1.00 92.84 35 A 1 ATOM 274 C CB . GLN A 1 35 ? -0.443 16.243 3.143 1.00 94.80 35 A 1 ATOM 275 C CG . GLN A 1 35 ? -1.015 16.763 1.820 1.00 93.28 35 A 1 ATOM 276 C CD . GLN A 1 35 ? -0.275 17.992 1.310 1.00 90.98 35 A 1 ATOM 277 O OE1 . GLN A 1 35 ? 0.792 18.372 1.769 1.00 88.98 35 A 1 ATOM 278 N NE2 . GLN A 1 35 ? -0.803 18.667 0.315 1.00 86.68 35 A 1 ATOM 279 N N . ALA A 1 36 ? -0.401 14.716 5.979 1.00 95.34 36 A 1 ATOM 280 C CA . ALA A 1 36 ? 0.356 14.071 7.051 1.00 93.39 36 A 1 ATOM 281 C C . ALA A 1 36 ? -0.112 12.630 7.316 1.00 91.85 36 A 1 ATOM 282 O O . ALA A 1 36 ? 0.721 11.774 7.604 1.00 90.67 36 A 1 ATOM 283 C CB . ALA A 1 36 ? 0.262 14.939 8.315 1.00 93.85 36 A 1 ATOM 284 N N . VAL A 1 37 ? -1.423 12.374 7.217 1.00 92.43 37 A 1 ATOM 285 C CA . VAL A 1 37 ? -1.984 11.016 7.339 1.00 89.71 37 A 1 ATOM 286 C C . VAL A 1 37 ? -1.546 10.154 6.154 1.00 87.43 37 A 1 ATOM 287 O O . VAL A 1 37 ? -0.981 9.087 6.374 1.00 85.79 37 A 1 ATOM 288 C CB . VAL A 1 37 ? -3.521 11.059 7.485 1.00 89.48 37 A 1 ATOM 289 C CG1 . VAL A 1 37 ? -4.156 9.664 7.421 1.00 87.10 37 A 1 ATOM 290 C CG2 . VAL A 1 37 ? -3.913 11.668 8.844 1.00 87.41 37 A 1 ATOM 291 N N . GLU A 1 38 ? -1.701 10.650 4.925 1.00 86.86 38 A 1 ATOM 292 C CA . GLU A 1 38 ? -1.269 9.928 3.717 1.00 83.59 38 A 1 ATOM 293 C C . GLU A 1 38 ? 0.236 9.626 3.740 1.00 82.06 38 A 1 ATOM 294 O O . GLU A 1 38 ? 0.664 8.495 3.525 1.00 80.12 38 A 1 ATOM 295 C CB . GLU A 1 38 ? -1.605 10.753 2.459 1.00 81.97 38 A 1 ATOM 296 C CG . GLU A 1 38 ? -3.111 10.935 2.198 1.00 76.35 38 A 1 ATOM 297 C CD . GLU A 1 38 ? -3.883 9.617 2.121 1.00 73.57 38 A 1 ATOM 298 O OE1 . GLU A 1 38 ? -5.082 9.658 2.486 1.00 67.02 38 A 1 ATOM 299 O OE2 . GLU A 1 38 ? -3.268 8.595 1.762 1.00 66.58 38 A 1 ATOM 300 N N . ALA A 1 39 ? 1.068 10.619 4.100 1.00 85.22 39 A 1 ATOM 301 C CA . ALA A 1 39 ? 2.513 10.422 4.219 1.00 83.69 39 A 1 ATOM 302 C C . ALA A 1 39 ? 2.877 9.381 5.288 1.00 81.95 39 A 1 ATOM 303 O O . ALA A 1 39 ? 3.808 8.599 5.095 1.00 80.40 39 A 1 ATOM 304 C CB . ALA A 1 39 ? 3.171 11.776 4.524 1.00 85.71 39 A 1 ATOM 305 N N . TYR A 1 40 ? 2.151 9.356 6.413 1.00 84.99 40 A 1 ATOM 306 C CA . TYR A 1 40 ? 2.349 8.329 7.432 1.00 81.85 40 A 1 ATOM 307 C C . TYR A 1 40 ? 1.993 6.936 6.900 1.00 79.99 40 A 1 ATOM 308 O O . TYR A 1 40 ? 2.768 6.003 7.099 1.00 78.08 40 A 1 ATOM 309 C CB . TYR A 1 40 ? 1.542 8.676 8.689 1.00 82.31 40 A 1 ATOM 310 C CG . TYR A 1 40 ? 1.569 7.583 9.739 1.00 80.58 40 A 1 ATOM 311 C CD1 . TYR A 1 40 ? 0.510 6.653 9.819 1.00 77.89 40 A 1 ATOM 312 C CD2 . TYR A 1 40 ? 2.676 7.462 10.602 1.00 77.39 40 A 1 ATOM 313 C CE1 . TYR A 1 40 ? 0.555 5.613 10.764 1.00 75.36 40 A 1 ATOM 314 C CE2 . TYR A 1 40 ? 2.727 6.423 11.548 1.00 75.17 40 A 1 ATOM 315 C CZ . TYR A 1 40 ? 1.666 5.496 11.629 1.00 75.97 40 A 1 ATOM 316 O OH . TYR A 1 40 ? 1.716 4.484 12.537 1.00 75.66 40 A 1 ATOM 317 N N . MET A 1 41 ? 0.862 6.797 6.194 1.00 76.78 41 A 1 ATOM 318 C CA . MET A 1 41 ? 0.455 5.520 5.594 1.00 74.56 41 A 1 ATOM 319 C C . MET A 1 41 ? 1.493 5.026 4.576 1.00 73.23 41 A 1 ATOM 320 O O . MET A 1 41 ? 1.957 3.891 4.681 1.00 71.90 41 A 1 ATOM 321 C CB . MET A 1 41 ? -0.932 5.659 4.951 1.00 74.10 41 A 1 ATOM 322 C CG . MET A 1 41 ? -2.031 5.814 6.007 1.00 70.13 41 A 1 ATOM 323 S SD . MET A 1 41 ? -3.703 6.062 5.369 1.00 67.71 41 A 1 ATOM 324 C CE . MET A 1 41 ? -3.984 4.492 4.496 1.00 61.39 41 A 1 ATOM 325 N N . GLN A 1 42 ? 1.969 5.900 3.692 1.00 75.79 42 A 1 ATOM 326 C CA . GLN A 1 42 ? 3.027 5.574 2.728 1.00 73.71 42 A 1 ATOM 327 C C . GLN A 1 42 ? 4.349 5.177 3.409 1.00 73.69 42 A 1 ATOM 328 O O . GLN A 1 42 ? 5.022 4.234 2.994 1.00 70.95 42 A 1 ATOM 329 C CB . GLN A 1 42 ? 3.237 6.767 1.777 1.00 72.26 42 A 1 ATOM 330 C CG . GLN A 1 42 ? 2.035 7.001 0.836 1.00 65.45 42 A 1 ATOM 331 C CD . GLN A 1 42 ? 1.747 5.811 -0.071 1.00 61.02 42 A 1 ATOM 332 O OE1 . GLN A 1 42 ? 2.637 5.064 -0.434 1.00 57.51 42 A 1 ATOM 333 N NE2 . GLN A 1 42 ? 0.515 5.582 -0.462 1.00 52.43 42 A 1 ATOM 334 N N . GLN A 1 43 ? 4.723 5.843 4.514 1.00 73.88 43 A 1 ATOM 335 C CA . GLN A 1 43 ? 5.906 5.463 5.293 1.00 73.65 43 A 1 ATOM 336 C C . GLN A 1 43 ? 5.781 4.095 5.975 1.00 73.36 43 A 1 ATOM 337 O O . GLN A 1 43 ? 6.809 3.474 6.250 1.00 71.28 43 A 1 ATOM 338 C CB . GLN A 1 43 ? 6.189 6.511 6.377 1.00 75.05 43 A 1 ATOM 339 C CG . GLN A 1 43 ? 6.857 7.770 5.814 1.00 69.90 43 A 1 ATOM 340 C CD . GLN A 1 43 ? 7.048 8.847 6.879 1.00 66.86 43 A 1 ATOM 341 O OE1 . GLN A 1 43 ? 6.802 8.684 8.070 1.00 64.21 43 A 1 ATOM 342 N NE2 . GLN A 1 43 ? 7.534 10.006 6.497 1.00 58.54 43 A 1 ATOM 343 N N . GLN A 1 44 ? 4.574 3.650 6.302 1.00 73.38 44 A 1 ATOM 344 C CA . GLN A 1 44 ? 4.386 2.285 6.806 1.00 72.52 44 A 1 ATOM 345 C C . GLN A 1 44 ? 4.615 1.268 5.680 1.00 72.84 44 A 1 ATOM 346 O O . GLN A 1 44 ? 5.359 0.310 5.880 1.00 71.64 44 A 1 ATOM 347 C CB . GLN A 1 44 ? 3.003 2.105 7.457 1.00 72.58 44 A 1 ATOM 348 C CG . GLN A 1 44 ? 2.766 2.947 8.718 1.00 68.38 44 A 1 ATOM 349 C CD . GLN A 1 44 ? 3.836 2.751 9.789 1.00 65.36 44 A 1 ATOM 350 O OE1 . GLN A 1 44 ? 4.057 1.684 10.324 1.00 61.98 44 A 1 ATOM 351 N NE2 . GLN A 1 44 ? 4.556 3.792 10.154 1.00 57.36 44 A 1 ATOM 352 N N . LEU A 1 45 ? 4.100 1.522 4.474 1.00 72.51 45 A 1 ATOM 353 C CA . LEU A 1 45 ? 4.279 0.631 3.316 1.00 72.55 45 A 1 ATOM 354 C C . LEU A 1 45 ? 5.751 0.475 2.888 1.00 72.98 45 A 1 ATOM 355 O O . LEU A 1 45 ? 6.148 -0.591 2.434 1.00 70.54 45 A 1 ATOM 356 C CB . LEU A 1 45 ? 3.428 1.147 2.139 1.00 72.69 45 A 1 ATOM 357 C CG . LEU A 1 45 ? 1.905 1.090 2.369 1.00 66.77 45 A 1 ATOM 358 C CD1 . LEU A 1 45 ? 1.186 1.740 1.190 1.00 65.12 45 A 1 ATOM 359 C CD2 . LEU A 1 45 ? 1.399 -0.343 2.513 1.00 65.33 45 A 1 ATOM 360 N N . THR A 1 46 ? 6.593 1.491 3.090 1.00 73.80 46 A 1 ATOM 361 C CA . THR A 1 46 ? 8.034 1.403 2.770 1.00 73.26 46 A 1 ATOM 362 C C . THR A 1 46 ? 8.867 0.616 3.790 1.00 74.12 46 A 1 ATOM 363 O O . THR A 1 46 ? 10.053 0.386 3.568 1.00 71.56 46 A 1 ATOM 364 C CB . THR A 1 46 ? 8.656 2.793 2.579 1.00 70.82 46 A 1 ATOM 365 O OG1 . THR A 1 46 ? 8.440 3.609 3.703 1.00 62.91 46 A 1 ATOM 366 C CG2 . THR A 1 46 ? 8.086 3.522 1.364 1.00 62.14 46 A 1 ATOM 367 N N . ARG A 1 47 ? 8.281 0.216 4.928 1.00 78.86 47 A 1 ATOM 368 C CA . ARG A 1 47 ? 8.953 -0.545 6.001 1.00 79.20 47 A 1 ATOM 369 C C . ARG A 1 47 ? 8.623 -2.038 5.974 1.00 80.54 47 A 1 ATOM 370 O O . ARG A 1 47 ? 8.717 -2.697 7.009 1.00 77.60 47 A 1 ATOM 371 C CB . ARG A 1 47 ? 8.641 0.081 7.366 1.00 75.85 47 A 1 ATOM 372 C CG . ARG A 1 47 ? 9.331 1.438 7.536 1.00 66.85 47 A 1 ATOM 373 C CD . ARG A 1 47 ? 8.932 1.994 8.897 1.00 65.14 47 A 1 ATOM 374 N NE . ARG A 1 47 ? 9.621 3.260 9.173 1.00 58.38 47 A 1 ATOM 375 C CZ . ARG A 1 47 ? 9.535 3.945 10.295 1.00 51.00 47 A 1 ATOM 376 N NH1 . ARG A 1 47 ? 8.783 3.541 11.285 1.00 47.85 47 A 1 ATOM 377 N NH2 . ARG A 1 47 ? 10.211 5.052 10.446 1.00 44.53 47 A 1 ATOM 378 N N . VAL A 1 48 ? 8.224 -2.549 4.822 1.00 83.00 48 A 1 ATOM 379 C CA . VAL A 1 48 ? 7.900 -3.963 4.662 1.00 83.39 48 A 1 ATOM 380 C C . VAL A 1 48 ? 9.148 -4.823 4.866 1.00 84.59 48 A 1 ATOM 381 O O . VAL A 1 48 ? 10.190 -4.586 4.257 1.00 82.95 48 A 1 ATOM 382 C CB . VAL A 1 48 ? 7.252 -4.215 3.298 1.00 82.15 48 A 1 ATOM 383 C CG1 . VAL A 1 48 ? 7.039 -5.711 3.058 1.00 77.11 48 A 1 ATOM 384 C CG2 . VAL A 1 48 ? 5.882 -3.524 3.233 1.00 77.69 48 A 1 ATOM 385 N N . ALA A 1 49 ? 9.018 -5.827 5.717 1.00 86.99 49 A 1 ATOM 386 C CA . ALA A 1 49 ? 10.003 -6.876 5.928 1.00 87.83 49 A 1 ATOM 387 C C . ALA A 1 49 ? 9.466 -8.192 5.349 1.00 89.41 49 A 1 ATOM 388 O O . ALA A 1 49 ? 8.440 -8.698 5.806 1.00 88.05 49 A 1 ATOM 389 C CB . ALA A 1 49 ? 10.311 -6.973 7.428 1.00 85.58 49 A 1 ATOM 390 N N . ILE A 1 50 ? 10.172 -8.739 4.361 1.00 88.85 50 A 1 ATOM 391 C CA . ILE A 1 50 ? 9.865 -10.068 3.826 1.00 89.62 50 A 1 ATOM 392 C C . ILE A 1 50 ? 10.552 -11.104 4.726 1.00 90.70 50 A 1 ATOM 393 O O . ILE A 1 50 ? 11.765 -11.015 4.907 1.00 90.11 50 A 1 ATOM 394 C CB . ILE A 1 50 ? 10.297 -10.195 2.351 1.00 88.92 50 A 1 ATOM 395 C CG1 . ILE A 1 50 ? 9.754 -9.052 1.459 1.00 87.06 50 A 1 ATOM 396 C CG2 . ILE A 1 50 ? 9.876 -11.565 1.791 1.00 87.03 50 A 1 ATOM 397 C CD1 . ILE A 1 50 ? 8.233 -8.879 1.462 1.00 81.63 50 A 1 ATOM 398 N N . PRO A 1 51 ? 9.820 -12.056 5.333 1.00 91.91 51 A 1 ATOM 399 C CA . PRO A 1 51 ? 10.440 -13.126 6.106 1.00 92.23 51 A 1 ATOM 400 C C . PRO A 1 51 ? 11.359 -13.999 5.241 1.00 92.60 51 A 1 ATOM 401 O O . PRO A 1 51 ? 10.989 -14.356 4.127 1.00 91.58 51 A 1 ATOM 402 C CB . PRO A 1 51 ? 9.276 -13.936 6.689 1.00 91.54 51 A 1 ATOM 403 C CG . PRO A 1 51 ? 8.105 -12.956 6.681 1.00 90.71 51 A 1 ATOM 404 C CD . PRO A 1 51 ? 8.372 -12.127 5.428 1.00 91.70 51 A 1 ATOM 405 N N . ASP A 1 52 ? 12.512 -14.405 5.780 1.00 91.66 52 A 1 ATOM 406 C CA . ASP A 1 52 ? 13.534 -15.186 5.050 1.00 91.68 52 A 1 ATOM 407 C C . ASP A 1 52 ? 13.046 -16.570 4.566 1.00 92.72 52 A 1 ATOM 408 O O . ASP A 1 52 ? 13.691 -17.213 3.744 1.00 91.10 52 A 1 ATOM 409 C CB . ASP A 1 52 ? 14.764 -15.408 5.958 1.00 89.46 52 A 1 ATOM 410 C CG . ASP A 1 52 ? 15.485 -14.137 6.427 1.00 82.58 52 A 1 ATOM 411 O OD1 . ASP A 1 52 ? 15.485 -13.127 5.691 1.00 76.90 52 A 1 ATOM 412 O OD2 . ASP A 1 52 ? 16.047 -14.188 7.548 1.00 76.43 52 A 1 ATOM 413 N N . ASP A 1 53 ? 11.931 -17.062 5.110 1.00 94.04 53 A 1 ATOM 414 C CA . ASP A 1 53 ? 11.340 -18.363 4.784 1.00 94.48 53 A 1 ATOM 415 C C . ASP A 1 53 ? 10.143 -18.269 3.818 1.00 95.21 53 A 1 ATOM 416 O O . ASP A 1 53 ? 9.382 -19.231 3.692 1.00 93.59 53 A 1 ATOM 417 C CB . ASP A 1 53 ? 10.991 -19.098 6.091 1.00 93.47 53 A 1 ATOM 418 C CG . ASP A 1 53 ? 9.765 -18.520 6.800 1.00 91.93 53 A 1 ATOM 419 O OD1 . ASP A 1 53 ? 9.595 -17.284 6.868 1.00 87.84 53 A 1 ATOM 420 O OD2 . ASP A 1 53 ? 8.935 -19.314 7.298 1.00 87.26 53 A 1 ATOM 421 N N . ILE A 1 54 ? 9.951 -17.113 3.175 1.00 95.67 54 A 1 ATOM 422 C CA . ILE A 1 54 ? 8.927 -16.895 2.148 1.00 95.22 54 A 1 ATOM 423 C C . ILE A 1 54 ? 9.619 -16.586 0.822 1.00 95.19 54 A 1 ATOM 424 O O . ILE A 1 54 ? 10.387 -15.632 0.720 1.00 94.07 54 A 1 ATOM 425 C CB . ILE A 1 54 ? 7.953 -15.761 2.537 1.00 93.69 54 A 1 ATOM 426 C CG1 . ILE A 1 54 ? 7.241 -16.056 3.871 1.00 85.34 54 A 1 ATOM 427 C CG2 . ILE A 1 54 ? 6.894 -15.577 1.431 1.00 85.52 54 A 1 ATOM 428 C CD1 . ILE A 1 54 ? 6.256 -14.958 4.307 1.00 82.78 54 A 1 ATOM 429 N N . GLU A 1 55 ? 9.282 -17.348 -0.218 1.00 95.57 55 A 1 ATOM 430 C CA . GLU A 1 55 ? 9.720 -17.085 -1.587 1.00 95.50 55 A 1 ATOM 431 C C . GLU A 1 55 ? 8.645 -16.328 -2.373 1.00 96.16 55 A 1 ATOM 432 O O . GLU A 1 55 ? 7.449 -16.444 -2.108 1.00 95.83 55 A 1 ATOM 433 C CB . GLU A 1 55 ? 10.113 -18.391 -2.295 1.00 94.40 55 A 1 ATOM 434 C CG . GLU A 1 55 ? 11.304 -19.097 -1.615 1.00 87.27 55 A 1 ATOM 435 C CD . GLU A 1 55 ? 11.855 -20.286 -2.421 1.00 81.25 55 A 1 ATOM 436 O OE1 . GLU A 1 55 ? 12.934 -20.792 -2.030 1.00 71.84 55 A 1 ATOM 437 O OE2 . GLU A 1 55 ? 11.252 -20.668 -3.447 1.00 71.50 55 A 1 ATOM 438 N N . PHE A 1 56 ? 9.046 -15.560 -3.397 1.00 95.78 56 A 1 ATOM 439 C CA . PHE A 1 56 ? 8.086 -14.823 -4.226 1.00 96.19 56 A 1 ATOM 440 C C . PHE A 1 56 ? 7.043 -15.749 -4.878 1.00 96.61 56 A 1 ATOM 441 O O . PHE A 1 56 ? 5.864 -15.409 -4.959 1.00 96.47 56 A 1 ATOM 442 C CB . PHE A 1 56 ? 8.846 -14.005 -5.279 1.00 95.87 56 A 1 ATOM 443 C CG . PHE A 1 56 ? 7.927 -13.119 -6.082 1.00 96.22 56 A 1 ATOM 444 C CD1 . PHE A 1 56 ? 7.421 -13.561 -7.317 1.00 95.33 56 A 1 ATOM 445 C CD2 . PHE A 1 56 ? 7.501 -11.889 -5.548 1.00 95.45 56 A 1 ATOM 446 C CE1 . PHE A 1 56 ? 6.478 -12.779 -8.007 1.00 95.29 56 A 1 ATOM 447 C CE2 . PHE A 1 56 ? 6.559 -11.110 -6.237 1.00 95.20 56 A 1 ATOM 448 C CZ . PHE A 1 56 ? 6.041 -11.560 -7.461 1.00 95.69 56 A 1 ATOM 449 N N . SER A 1 57 ? 7.451 -16.956 -5.269 1.00 97.00 57 A 1 ATOM 450 C CA . SER A 1 57 ? 6.575 -17.985 -5.844 1.00 97.05 57 A 1 ATOM 451 C C . SER A 1 57 ? 5.461 -18.463 -4.899 1.00 97.25 57 A 1 ATOM 452 O O . SER A 1 57 ? 4.449 -18.986 -5.372 1.00 96.87 57 A 1 ATOM 453 C CB . SER A 1 57 ? 7.431 -19.178 -6.287 1.00 96.69 57 A 1 ATOM 454 O OG . SER A 1 57 ? 8.185 -19.696 -5.206 1.00 92.46 57 A 1 ATOM 455 N N . ASP A 1 58 ? 5.597 -18.265 -3.581 1.00 97.35 58 A 1 ATOM 456 C CA . ASP A 1 58 ? 4.564 -18.639 -2.608 1.00 97.37 58 A 1 ATOM 457 C C . ASP A 1 58 ? 3.292 -17.790 -2.751 1.00 97.59 58 A 1 ATOM 458 O O . ASP A 1 58 ? 2.214 -18.241 -2.361 1.00 97.08 58 A 1 ATOM 459 C CB . ASP A 1 58 ? 5.104 -18.542 -1.172 1.00 97.14 58 A 1 ATOM 460 C CG . ASP A 1 58 ? 6.187 -19.569 -0.838 1.00 96.41 58 A 1 ATOM 461 O OD1 . ASP A 1 58 ? 6.091 -20.707 -1.355 1.00 93.68 58 A 1 ATOM 462 O OD2 . ASP A 1 58 ? 7.048 -19.241 0.011 1.00 93.45 58 A 1 ATOM 463 N N . LEU A 1 59 ? 3.393 -16.602 -3.374 1.00 96.90 59 A 1 ATOM 464 C CA . LEU A 1 59 ? 2.231 -15.776 -3.726 1.00 96.47 59 A 1 ATOM 465 C C . LEU A 1 59 ? 1.275 -16.480 -4.687 1.00 97.10 59 A 1 ATOM 466 O O . LEU A 1 59 ? 0.088 -16.155 -4.690 1.00 96.33 59 A 1 ATOM 467 C CB . LEU A 1 59 ? 2.693 -14.465 -4.383 1.00 94.94 59 A 1 ATOM 468 C CG . LEU A 1 59 ? 3.170 -13.387 -3.404 1.00 91.11 59 A 1 ATOM 469 C CD1 . LEU A 1 59 ? 3.802 -12.246 -4.195 1.00 89.34 59 A 1 ATOM 470 C CD2 . LEU A 1 59 ? 2.007 -12.807 -2.596 1.00 89.39 59 A 1 ATOM 471 N N . LYS A 1 60 ? 1.775 -17.418 -5.511 1.00 96.69 60 A 1 ATOM 472 C CA . LYS A 1 60 ? 0.985 -18.131 -6.527 1.00 96.84 60 A 1 ATOM 473 C C . LYS A 1 60 ? 0.179 -17.163 -7.399 1.00 96.97 60 A 1 ATOM 474 O O . LYS A 1 60 ? -1.020 -17.362 -7.592 1.00 96.32 60 A 1 ATOM 475 C CB . LYS A 1 60 ? 0.086 -19.189 -5.873 1.00 96.68 60 A 1 ATOM 476 C CG . LYS A 1 60 ? 0.843 -20.190 -4.997 1.00 95.44 60 A 1 ATOM 477 C CD . LYS A 1 60 ? -0.179 -20.997 -4.191 1.00 92.18 60 A 1 ATOM 478 C CE . LYS A 1 60 ? 0.538 -21.743 -3.068 1.00 87.67 60 A 1 ATOM 479 N NZ . LYS A 1 60 ? -0.335 -21.829 -1.872 1.00 77.99 60 A 1 ATOM 480 N N . LEU A 1 61 ? 0.835 -16.111 -7.889 1.00 96.45 61 A 1 ATOM 481 C CA . LEU A 1 61 ? 0.192 -15.123 -8.746 1.00 96.34 61 A 1 ATOM 482 C C . LEU A 1 61 ? -0.470 -15.803 -9.943 1.00 96.90 61 A 1 ATOM 483 O O . LEU A 1 61 ? 0.145 -16.609 -10.644 1.00 96.28 61 A 1 ATOM 484 C CB . LEU A 1 61 ? 1.197 -14.072 -9.234 1.00 95.02 61 A 1 ATOM 485 C CG . LEU A 1 61 ? 1.699 -13.088 -8.169 1.00 91.53 61 A 1 ATOM 486 C CD1 . LEU A 1 61 ? 2.703 -12.128 -8.805 1.00 87.85 61 A 1 ATOM 487 C CD2 . LEU A 1 61 ? 0.576 -12.243 -7.576 1.00 87.98 61 A 1 ATOM 488 N N . ALA A 1 62 ? -1.727 -15.461 -10.190 1.00 96.30 62 A 1 ATOM 489 C CA . ALA A 1 62 ? -2.475 -15.944 -11.337 1.00 95.83 62 A 1 ATOM 490 C C . ALA A 1 62 ? -3.330 -14.821 -11.911 1.00 94.95 62 A 1 ATOM 491 O O . ALA A 1 62 ? -3.826 -13.965 -11.182 1.00 93.75 62 A 1 ATOM 492 C CB . ALA A 1 62 ? -3.310 -17.163 -10.924 1.00 95.59 62 A 1 ATOM 493 N N . ARG A 1 63 ? -3.517 -14.831 -13.227 1.00 94.74 63 A 1 ATOM 494 C CA . ARG A 1 63 ? -4.451 -13.930 -13.904 1.00 94.01 63 A 1 ATOM 495 C C . ARG A 1 63 ? -5.758 -14.656 -14.151 1.00 94.84 63 A 1 ATOM 496 O O . ARG A 1 63 ? -5.786 -15.702 -14.797 1.00 94.21 63 A 1 ATOM 497 C CB . ARG A 1 63 ? -3.798 -13.345 -15.163 1.00 91.42 63 A 1 ATOM 498 C CG . ARG A 1 63 ? -4.628 -12.183 -15.713 1.00 84.09 63 A 1 ATOM 499 C CD . ARG A 1 63 ? -3.854 -11.373 -16.746 1.00 83.34 63 A 1 ATOM 500 N NE . ARG A 1 63 ? -2.801 -10.521 -16.154 1.00 82.43 63 A 1 ATOM 501 C CZ . ARG A 1 63 ? -2.867 -9.218 -15.899 1.00 82.21 63 A 1 ATOM 502 N NH1 . ARG A 1 63 ? -3.967 -8.528 -15.938 1.00 72.39 63 A 1 ATOM 503 N NH2 . ARG A 1 63 ? -1.799 -8.545 -15.617 1.00 74.06 63 A 1 ATOM 504 N N . ASP A 1 64 ? -6.834 -14.102 -13.615 1.00 94.16 64 A 1 ATOM 505 C CA . ASP A 1 64 ? -8.175 -14.650 -13.740 1.00 93.84 64 A 1 ATOM 506 C C . ASP A 1 64 ? -8.760 -14.340 -15.131 1.00 94.41 64 A 1 ATOM 507 O O . ASP A 1 64 ? -8.325 -13.411 -15.819 1.00 93.87 64 A 1 ATOM 508 C CB . ASP A 1 64 ? -9.059 -14.128 -12.594 1.00 92.46 64 A 1 ATOM 509 C CG . ASP A 1 64 ? -8.654 -14.642 -11.202 1.00 89.90 64 A 1 ATOM 510 O OD1 . ASP A 1 64 ? -8.046 -15.734 -11.109 1.00 85.08 64 A 1 ATOM 511 O OD2 . ASP A 1 64 ? -9.004 -13.965 -10.216 1.00 84.45 64 A 1 ATOM 512 N N . PRO A 1 65 ? -9.782 -15.091 -15.592 1.00 94.57 65 A 1 ATOM 513 C CA . PRO A 1 65 ? -10.387 -14.881 -16.913 1.00 94.41 65 A 1 ATOM 514 C C . PRO A 1 65 ? -11.008 -13.493 -17.134 1.00 93.60 65 A 1 ATOM 515 O O . PRO A 1 65 ? -11.232 -13.104 -18.280 1.00 91.23 65 A 1 ATOM 516 C CB . PRO A 1 65 ? -11.464 -15.965 -17.035 1.00 94.15 65 A 1 ATOM 517 C CG . PRO A 1 65 ? -10.982 -17.065 -16.096 1.00 93.03 65 A 1 ATOM 518 C CD . PRO A 1 65 ? -10.326 -16.285 -14.966 1.00 94.86 65 A 1 ATOM 519 N N . ASP A 1 66 ? -11.330 -12.768 -16.059 1.00 93.68 66 A 1 ATOM 520 C CA . ASP A 1 66 ? -11.865 -11.404 -16.089 1.00 92.79 66 A 1 ATOM 521 C C . ASP A 1 66 ? -10.769 -10.320 -16.082 1.00 92.03 66 A 1 ATOM 522 O O . ASP A 1 66 ? -11.082 -9.132 -16.122 1.00 88.75 66 A 1 ATOM 523 C CB . ASP A 1 66 ? -12.883 -11.224 -14.951 1.00 91.98 66 A 1 ATOM 524 C CG . ASP A 1 66 ? -12.293 -11.344 -13.543 1.00 90.05 66 A 1 ATOM 525 O OD1 . ASP A 1 66 ? -11.079 -11.621 -13.433 1.00 86.68 66 A 1 ATOM 526 O OD2 . ASP A 1 66 ? -13.100 -11.203 -12.594 1.00 86.25 66 A 1 ATOM 527 N N . GLY A 1 67 ? -9.507 -10.724 -16.077 1.00 91.89 67 A 1 ATOM 528 C CA . GLY A 1 67 ? -8.333 -9.856 -16.060 1.00 90.15 67 A 1 ATOM 529 C C . GLY A 1 67 ? -7.832 -9.504 -14.659 1.00 90.49 67 A 1 ATOM 530 O O . GLY A 1 67 ? -6.748 -8.934 -14.550 1.00 88.39 67 A 1 ATOM 531 N N . ALA A 1 68 ? -8.566 -9.864 -13.590 1.00 91.04 68 A 1 ATOM 532 C CA . ALA A 1 68 ? -8.109 -9.642 -12.225 1.00 90.75 68 A 1 ATOM 533 C C . ALA A 1 68 ? -6.869 -10.495 -11.910 1.00 91.25 68 A 1 ATOM 534 O O . ALA A 1 68 ? -6.621 -11.531 -12.527 1.00 90.40 68 A 1 ATOM 535 C CB . ALA A 1 68 ? -9.263 -9.907 -11.247 1.00 89.30 68 A 1 ATOM 536 N N . VAL A 1 69 ? -6.075 -10.063 -10.914 1.00 91.42 69 A 1 ATOM 537 C CA . VAL A 1 69 ? -4.932 -10.837 -10.420 1.00 91.82 69 A 1 ATOM 538 C C . VAL A 1 69 ? -5.284 -11.441 -9.071 1.00 92.45 69 A 1 ATOM 539 O O . VAL A 1 69 ? -5.673 -10.740 -8.143 1.00 92.12 69 A 1 ATOM 540 C CB . VAL A 1 69 ? -3.650 -9.992 -10.384 1.00 91.09 69 A 1 ATOM 541 C CG1 . VAL A 1 69 ? -2.473 -10.763 -9.770 1.00 88.19 69 A 1 ATOM 542 C CG2 . VAL A 1 69 ? -3.262 -9.599 -11.819 1.00 88.61 69 A 1 ATOM 543 N N . SER A 1 70 ? -5.132 -12.757 -8.963 1.00 94.24 70 A 1 ATOM 544 C CA . SER A 1 70 ? -5.306 -13.511 -7.729 1.00 94.53 70 A 1 ATOM 545 C C . SER A 1 70 ? -3.957 -13.949 -7.154 1.00 94.82 70 A 1 ATOM 546 O O . SER A 1 70 ? -2.981 -14.165 -7.876 1.00 94.78 70 A 1 ATOM 547 C CB . SER A 1 70 ? -6.274 -14.683 -7.929 1.00 93.78 70 A 1 ATOM 548 O OG . SER A 1 70 ? -5.953 -15.490 -9.043 1.00 87.78 70 A 1 ATOM 549 N N . PHE A 1 71 ? -3.896 -14.048 -5.824 1.00 95.83 71 A 1 ATOM 550 C CA . PHE A 1 71 ? -2.698 -14.435 -5.079 1.00 95.90 71 A 1 ATOM 551 C C . PHE A 1 71 ? -3.057 -15.026 -3.710 1.00 96.53 71 A 1 ATOM 552 O O . PHE A 1 71 ? -4.189 -14.906 -3.229 1.00 96.33 71 A 1 ATOM 553 C CB . PHE A 1 71 ? -1.761 -13.223 -4.931 1.00 95.12 71 A 1 ATOM 554 C CG . PHE A 1 71 ? -2.395 -11.990 -4.318 1.00 95.06 71 A 1 ATOM 555 C CD1 . PHE A 1 71 ? -2.966 -11.013 -5.160 1.00 93.13 71 A 1 ATOM 556 C CD2 . PHE A 1 71 ? -2.432 -11.821 -2.925 1.00 93.28 71 A 1 ATOM 557 C CE1 . PHE A 1 71 ? -3.580 -9.881 -4.607 1.00 92.15 71 A 1 ATOM 558 C CE2 . PHE A 1 71 ? -3.051 -10.687 -2.373 1.00 92.47 71 A 1 ATOM 559 C CZ . PHE A 1 71 ? -3.629 -9.719 -3.216 1.00 92.37 71 A 1 ATOM 560 N N . ASP A 1 72 ? -2.081 -15.657 -3.054 1.00 96.17 72 A 1 ATOM 561 C CA . ASP A 1 72 ? -2.264 -16.251 -1.733 1.00 96.57 72 A 1 ATOM 562 C C . ASP A 1 72 ? -2.209 -15.183 -0.627 1.00 96.52 72 A 1 ATOM 563 O O . ASP A 1 72 ? -1.145 -14.710 -0.222 1.00 96.11 72 A 1 ATOM 564 C CB . ASP A 1 72 ? -1.252 -17.388 -1.524 1.00 96.69 72 A 1 ATOM 565 C CG . ASP A 1 72 ? -1.635 -18.330 -0.380 1.00 96.26 72 A 1 ATOM 566 O OD1 . ASP A 1 72 ? -2.354 -17.884 0.549 1.00 93.78 72 A 1 ATOM 567 O OD2 . ASP A 1 72 ? -1.265 -19.534 -0.477 1.00 93.26 72 A 1 ATOM 568 N N . TRP A 1 73 ? -3.379 -14.820 -0.092 1.00 96.02 73 A 1 ATOM 569 C CA . TRP A 1 73 ? -3.499 -13.852 1.002 1.00 95.78 73 A 1 ATOM 570 C C . TRP A 1 73 ? -2.726 -14.253 2.262 1.00 96.28 73 A 1 ATOM 571 O O . TRP A 1 73 ? -2.287 -13.367 2.997 1.00 95.80 73 A 1 ATOM 572 C CB . TRP A 1 73 ? -4.981 -13.636 1.338 1.00 94.45 73 A 1 ATOM 573 C CG . TRP A 1 73 ? -5.632 -12.584 0.501 1.00 93.20 73 A 1 ATOM 574 C CD1 . TRP A 1 73 ? -6.497 -12.782 -0.514 1.00 90.88 73 A 1 ATOM 575 C CD2 . TRP A 1 73 ? -5.449 -11.138 0.602 1.00 92.14 73 A 1 ATOM 576 N NE1 . TRP A 1 73 ? -6.862 -11.564 -1.055 1.00 89.77 73 A 1 ATOM 577 C CE2 . TRP A 1 73 ? -6.239 -10.515 -0.409 1.00 90.77 73 A 1 ATOM 578 C CE3 . TRP A 1 73 ? -4.682 -10.294 1.433 1.00 88.92 73 A 1 ATOM 579 C CZ2 . TRP A 1 73 ? -6.263 -9.122 -0.590 1.00 88.03 73 A 1 ATOM 580 C CZ3 . TRP A 1 73 ? -4.700 -8.895 1.261 1.00 88.76 73 A 1 ATOM 581 C CH2 . TRP A 1 73 ? -5.485 -8.308 0.251 1.00 88.03 73 A 1 ATOM 582 N N . ALA A 1 74 ? -2.504 -15.542 2.520 1.00 96.54 74 A 1 ATOM 583 C CA . ALA A 1 74 ? -1.748 -15.984 3.691 1.00 96.54 74 A 1 ATOM 584 C C . ALA A 1 74 ? -0.291 -15.488 3.656 1.00 96.75 74 A 1 ATOM 585 O O . ALA A 1 74 ? 0.301 -15.212 4.703 1.00 96.37 74 A 1 ATOM 586 C CB . ALA A 1 74 ? -1.816 -17.515 3.765 1.00 96.38 74 A 1 ATOM 587 N N . VAL A 1 75 ? 0.278 -15.316 2.469 1.00 96.94 75 A 1 ATOM 588 C CA . VAL A 1 75 ? 1.616 -14.739 2.275 1.00 96.97 75 A 1 ATOM 589 C C . VAL A 1 75 ? 1.615 -13.257 2.658 1.00 96.94 75 A 1 ATOM 590 O O . VAL A 1 75 ? 2.455 -12.827 3.451 1.00 96.56 75 A 1 ATOM 591 C CB . VAL A 1 75 ? 2.089 -14.952 0.826 1.00 96.68 75 A 1 ATOM 592 C CG1 . VAL A 1 75 ? 3.461 -14.322 0.584 1.00 95.52 75 A 1 ATOM 593 C CG2 . VAL A 1 75 ? 2.188 -16.448 0.503 1.00 95.56 75 A 1 ATOM 594 N N . ILE A 1 76 ? 0.628 -12.488 2.187 1.00 96.24 76 A 1 ATOM 595 C CA . ILE A 1 76 ? 0.482 -11.065 2.525 1.00 95.73 76 A 1 ATOM 596 C C . ILE A 1 76 ? 0.267 -10.878 4.035 1.00 95.67 76 A 1 ATOM 597 O O . ILE A 1 76 ? 0.889 -10.010 4.644 1.00 95.42 76 A 1 ATOM 598 C CB . ILE A 1 76 ? -0.664 -10.420 1.712 1.00 95.00 76 A 1 ATOM 599 C CG1 . ILE A 1 76 ? -0.494 -10.592 0.182 1.00 93.76 76 A 1 ATOM 600 C CG2 . ILE A 1 76 ? -0.828 -8.927 2.059 1.00 94.35 76 A 1 ATOM 601 C CD1 . ILE A 1 76 ? 0.815 -10.046 -0.407 1.00 90.37 76 A 1 ATOM 602 N N . GLU A 1 77 ? -0.550 -11.717 4.666 1.00 95.72 77 A 1 ATOM 603 C CA . GLU A 1 77 ? -0.769 -11.700 6.119 1.00 95.38 77 A 1 ATOM 604 C C . GLU A 1 77 ? 0.537 -11.915 6.899 1.00 95.26 77 A 1 ATOM 605 O O . GLU A 1 77 ? 0.814 -11.199 7.866 1.00 94.83 77 A 1 ATOM 606 C CB . GLU A 1 77 ? -1.794 -12.781 6.510 1.00 94.79 77 A 1 ATOM 607 C CG . GLU A 1 77 ? -3.223 -12.401 6.103 1.00 86.89 77 A 1 ATOM 608 C CD . GLU A 1 77 ? -4.287 -13.452 6.465 1.00 86.00 77 A 1 ATOM 609 O OE1 . GLU A 1 77 ? -5.476 -13.210 6.124 1.00 78.24 77 A 1 ATOM 610 O OE2 . GLU A 1 77 ? -3.952 -14.469 7.122 1.00 79.54 77 A 1 ATOM 611 N N . ARG A 1 78 ? 1.373 -12.863 6.472 1.00 95.86 78 A 1 ATOM 612 C CA . ARG A 1 78 ? 2.679 -13.123 7.095 1.00 95.77 78 A 1 ATOM 613 C C . ARG A 1 78 ? 3.632 -11.939 6.939 1.00 95.77 78 A 1 ATOM 614 O O . ARG A 1 78 ? 4.302 -11.579 7.905 1.00 95.41 78 A 1 ATOM 615 C CB . ARG A 1 78 ? 3.304 -14.393 6.506 1.00 95.75 78 A 1 ATOM 616 C CG . ARG A 1 78 ? 2.585 -15.669 6.964 1.00 92.17 78 A 1 ATOM 617 C CD . ARG A 1 78 ? 3.238 -16.908 6.341 1.00 90.17 78 A 1 ATOM 618 N NE . ARG A 1 78 ? 4.586 -17.102 6.903 1.00 84.54 78 A 1 ATOM 619 C CZ . ARG A 1 78 ? 5.589 -17.812 6.424 1.00 80.47 78 A 1 ATOM 620 N NH1 . ARG A 1 78 ? 5.518 -18.529 5.335 1.00 74.37 78 A 1 ATOM 621 N NH2 . ARG A 1 78 ? 6.719 -17.800 7.061 1.00 71.43 78 A 1 ATOM 622 N N . ILE A 1 79 ? 3.664 -11.311 5.764 1.00 95.02 79 A 1 ATOM 623 C CA . ILE A 1 79 ? 4.473 -10.110 5.505 1.00 94.26 79 A 1 ATOM 624 C C . ILE A 1 79 ? 4.002 -8.942 6.379 1.00 93.70 79 A 1 ATOM 625 O O . ILE A 1 79 ? 4.820 -8.295 7.035 1.00 92.96 79 A 1 ATOM 626 C CB . ILE A 1 79 ? 4.433 -9.754 4.002 1.00 94.16 79 A 1 ATOM 627 C CG1 . ILE A 1 79 ? 5.160 -10.837 3.171 1.00 93.67 79 A 1 ATOM 628 C CG2 . ILE A 1 79 ? 5.073 -8.377 3.745 1.00 93.63 79 A 1 ATOM 629 C CD1 . ILE A 1 79 ? 4.907 -10.726 1.666 1.00 92.40 79 A 1 ATOM 630 N N . CYS A 1 80 ? 2.686 -8.695 6.448 1.00 93.62 80 A 1 ATOM 631 C CA . CYS A 1 80 ? 2.113 -7.661 7.314 1.00 92.73 80 A 1 ATOM 632 C C . CYS A 1 80 ? 2.488 -7.894 8.782 1.00 92.52 80 A 1 ATOM 633 O O . CYS A 1 80 ? 2.972 -6.980 9.450 1.00 92.25 80 A 1 ATOM 634 C CB . CYS A 1 80 ? 0.587 -7.633 7.139 1.00 92.07 80 A 1 ATOM 635 S SG . CYS A 1 80 ? 0.159 -6.916 5.530 1.00 90.78 80 A 1 ATOM 636 N N . HIS A 1 81 ? 2.351 -9.124 9.266 1.00 94.33 81 A 1 ATOM 637 C CA . HIS A 1 81 ? 2.717 -9.490 10.632 1.00 93.99 81 A 1 ATOM 638 C C . HIS A 1 81 ? 4.211 -9.255 10.916 1.00 93.13 81 A 1 ATOM 639 O O . HIS A 1 81 ? 4.553 -8.638 11.925 1.00 92.35 81 A 1 ATOM 640 C CB . HIS A 1 81 ? 2.313 -10.948 10.881 1.00 94.35 81 A 1 ATOM 641 C CG . HIS A 1 81 ? 2.650 -11.407 12.276 1.00 89.91 81 A 1 ATOM 642 N ND1 . HIS A 1 81 ? 3.863 -11.904 12.686 1.00 76.45 81 A 1 ATOM 643 C CD2 . HIS A 1 81 ? 1.839 -11.362 13.378 1.00 76.00 81 A 1 ATOM 644 C CE1 . HIS A 1 81 ? 3.787 -12.145 14.008 1.00 77.84 81 A 1 ATOM 645 N NE2 . HIS A 1 81 ? 2.568 -11.835 14.475 1.00 79.93 81 A 1 ATOM 646 N N . ALA A 1 82 ? 5.105 -9.696 10.029 1.00 93.30 82 A 1 ATOM 647 C CA . ALA A 1 82 ? 6.551 -9.494 10.169 1.00 92.34 82 A 1 ATOM 648 C C . ALA A 1 82 ? 6.948 -8.010 10.134 1.00 91.26 82 A 1 ATOM 649 O O . ALA A 1 82 ? 7.865 -7.584 10.832 1.00 89.59 82 A 1 ATOM 650 C CB . ALA A 1 82 ? 7.253 -10.277 9.054 1.00 92.71 82 A 1 ATOM 651 N N . SER A 1 83 ? 6.212 -7.209 9.361 1.00 92.00 83 A 1 ATOM 652 C CA . SER A 1 83 ? 6.437 -5.769 9.208 1.00 90.24 83 A 1 ATOM 653 C C . SER A 1 83 ? 5.785 -4.919 10.302 1.00 89.15 83 A 1 ATOM 654 O O . SER A 1 83 ? 5.988 -3.705 10.346 1.00 86.66 83 A 1 ATOM 655 C CB . SER A 1 83 ? 5.924 -5.322 7.837 1.00 89.89 83 A 1 ATOM 656 O OG . SER A 1 83 ? 6.472 -6.126 6.814 1.00 87.55 83 A 1 ATOM 657 N N . GLY A 1 84 ? 4.962 -5.520 11.187 1.00 90.13 84 A 1 ATOM 658 C CA . GLY A 1 84 ? 4.150 -4.785 12.160 1.00 88.68 84 A 1 ATOM 659 C C . GLY A 1 84 ? 3.067 -3.911 11.514 1.00 88.19 84 A 1 ATOM 660 O O . GLY A 1 84 ? 2.669 -2.902 12.101 1.00 85.85 84 A 1 ATOM 661 N N . LEU A 1 85 ? 2.621 -4.256 10.305 1.00 88.56 85 A 1 ATOM 662 C CA . LEU A 1 85 ? 1.593 -3.536 9.557 1.00 88.52 85 A 1 ATOM 663 C C . LEU A 1 85 ? 0.201 -4.102 9.863 1.00 89.45 85 A 1 ATOM 664 O O . LEU A 1 85 ? 0.025 -5.322 9.857 1.00 88.84 85 A 1 ATOM 665 C CB . LEU A 1 85 ? 1.883 -3.608 8.049 1.00 86.93 85 A 1 ATOM 666 C CG . LEU A 1 85 ? 3.169 -2.898 7.608 1.00 82.85 85 A 1 ATOM 667 C CD1 . LEU A 1 85 ? 3.399 -3.126 6.113 1.00 80.62 85 A 1 ATOM 668 C CD2 . LEU A 1 85 ? 3.105 -1.395 7.856 1.00 80.73 85 A 1 ATOM 669 N N . PRO A 1 86 ? -0.817 -3.237 10.081 1.00 89.25 86 A 1 ATOM 670 C CA . PRO A 1 86 ? -2.204 -3.676 10.111 1.00 88.12 86 A 1 ATOM 671 C C . PRO A 1 86 ? -2.611 -4.279 8.759 1.00 88.82 86 A 1 ATOM 672 O O . PRO A 1 86 ? -2.397 -3.665 7.716 1.00 87.76 86 A 1 ATOM 673 C CB . PRO A 1 86 ? -3.032 -2.433 10.453 1.00 85.74 86 A 1 ATOM 674 C CG . PRO A 1 86 ? -2.023 -1.455 11.045 1.00 83.37 86 A 1 ATOM 675 C CD . PRO A 1 86 ? -0.734 -1.804 10.315 1.00 86.10 86 A 1 ATOM 676 N N . LEU A 1 87 ? -3.235 -5.453 8.772 1.00 89.52 87 A 1 ATOM 677 C CA . LEU A 1 87 ? -3.685 -6.133 7.550 1.00 90.28 87 A 1 ATOM 678 C C . LEU A 1 87 ? -4.748 -5.323 6.787 1.00 89.51 87 A 1 ATOM 679 O O . LEU A 1 87 ? -4.838 -5.394 5.565 1.00 87.52 87 A 1 ATOM 680 C CB . LEU A 1 87 ? -4.206 -7.521 7.945 1.00 90.21 87 A 1 ATOM 681 C CG . LEU A 1 87 ? -4.679 -8.382 6.760 1.00 87.34 87 A 1 ATOM 682 C CD1 . LEU A 1 87 ? -3.548 -8.722 5.787 1.00 84.46 87 A 1 ATOM 683 C CD2 . LEU A 1 87 ? -5.266 -9.677 7.312 1.00 85.47 87 A 1 ATOM 684 N N . GLU A 1 88 ? -5.513 -4.507 7.510 1.00 89.66 88 A 1 ATOM 685 C CA . GLU A 1 88 ? -6.530 -3.603 6.973 1.00 87.86 88 A 1 ATOM 686 C C . GLU A 1 88 ? -5.937 -2.598 5.975 1.00 86.06 88 A 1 ATOM 687 O O . GLU A 1 88 ? -6.608 -2.194 5.032 1.00 83.83 88 A 1 ATOM 688 C CB . GLU A 1 88 ? -7.220 -2.853 8.128 1.00 87.43 88 A 1 ATOM 689 C CG . GLU A 1 88 ? -7.922 -3.758 9.167 1.00 82.83 88 A 1 ATOM 690 C CD . GLU A 1 88 ? -7.001 -4.378 10.241 1.00 79.31 88 A 1 ATOM 691 O OE1 . GLU A 1 88 ? -7.522 -5.093 11.120 1.00 70.38 88 A 1 ATOM 692 O OE2 . GLU A 1 88 ? -5.767 -4.146 10.208 1.00 71.72 88 A 1 ATOM 693 N N . MET A 1 89 ? -4.647 -2.260 6.100 1.00 85.96 89 A 1 ATOM 694 C CA . MET A 1 89 ? -3.955 -1.425 5.106 1.00 83.56 89 A 1 ATOM 695 C C . MET A 1 89 ? -3.812 -2.102 3.737 1.00 83.83 89 A 1 ATOM 696 O O . MET A 1 89 ? -3.553 -1.409 2.752 1.00 81.61 89 A 1 ATOM 697 C CB . MET A 1 89 ? -2.561 -1.019 5.601 1.00 80.97 89 A 1 ATOM 698 C CG . MET A 1 89 ? -2.611 -0.074 6.800 1.00 73.32 89 A 1 ATOM 699 S SD . MET A 1 89 ? -0.999 0.570 7.322 1.00 70.21 89 A 1 ATOM 700 C CE . MET A 1 89 ? -0.535 1.537 5.865 1.00 61.91 89 A 1 ATOM 701 N N . MET A 1 90 ? -3.946 -3.429 3.667 1.00 86.75 90 A 1 ATOM 702 C CA . MET A 1 90 ? -3.914 -4.191 2.419 1.00 86.94 90 A 1 ATOM 703 C C . MET A 1 90 ? -5.312 -4.612 1.962 1.00 86.22 90 A 1 ATOM 704 O O . MET A 1 90 ? -5.559 -4.688 0.764 1.00 83.19 90 A 1 ATOM 705 C CB . MET A 1 90 ? -3.016 -5.427 2.585 1.00 86.58 90 A 1 ATOM 706 C CG . MET A 1 90 ? -1.584 -5.068 2.996 1.00 84.85 90 A 1 ATOM 707 S SD . MET A 1 90 ? -0.686 -4.051 1.797 1.00 84.55 90 A 1 ATOM 708 C CE . MET A 1 90 ? 0.587 -3.380 2.878 1.00 76.98 90 A 1 ATOM 709 N N . ARG A 1 91 ? -6.231 -4.883 2.907 1.00 88.40 91 A 1 ATOM 710 C CA . ARG A 1 91 ? -7.580 -5.388 2.597 1.00 87.11 91 A 1 ATOM 711 C C . ARG A 1 91 ? -8.633 -4.305 2.401 1.00 85.27 91 A 1 ATOM 712 O O . ARG A 1 91 ? -9.474 -4.451 1.523 1.00 80.07 91 A 1 ATOM 713 C CB . ARG A 1 91 ? -8.044 -6.353 3.690 1.00 85.81 91 A 1 ATOM 714 C CG . ARG A 1 91 ? -7.402 -7.730 3.528 1.00 79.61 91 A 1 ATOM 715 C CD . ARG A 1 91 ? -8.093 -8.747 4.442 1.00 77.83 91 A 1 ATOM 716 N NE . ARG A 1 91 ? -7.698 -10.113 4.081 1.00 72.41 91 A 1 ATOM 717 C CZ . ARG A 1 91 ? -7.690 -11.174 4.859 1.00 66.72 91 A 1 ATOM 718 N NH1 . ARG A 1 91 ? -8.151 -11.167 6.075 1.00 62.79 91 A 1 ATOM 719 N NH2 . ARG A 1 91 ? -7.189 -12.285 4.415 1.00 60.07 91 A 1 ATOM 720 N N . ASP A 1 92 ? -8.603 -3.267 3.239 1.00 87.11 92 A 1 ATOM 721 C CA . ASP A 1 92 ? -9.664 -2.254 3.315 1.00 84.54 92 A 1 ATOM 722 C C . ASP A 1 92 ? -9.258 -0.931 2.647 1.00 82.32 92 A 1 ATOM 723 O O . ASP A 1 92 ? -10.064 -0.003 2.534 1.00 78.01 92 A 1 ATOM 724 C CB . ASP A 1 92 ? -10.075 -2.031 4.782 1.00 84.07 92 A 1 ATOM 725 C CG . ASP A 1 92 ? -10.575 -3.280 5.520 1.00 81.23 92 A 1 ATOM 726 O OD1 . ASP A 1 92 ? -11.083 -4.216 4.864 1.00 77.12 92 A 1 ATOM 727 O OD2 . ASP A 1 92 ? -10.492 -3.269 6.770 1.00 78.07 92 A 1 ATOM 728 N N . ALA A 1 93 ? -7.998 -0.815 2.220 1.00 79.65 93 A 1 ATOM 729 C CA . ALA A 1 93 ? -7.484 0.324 1.468 1.00 76.71 93 A 1 ATOM 730 C C . ALA A 1 93 ? -7.539 0.057 -0.055 1.00 78.08 93 A 1 ATOM 731 O O . ALA A 1 93 ? -7.866 -1.058 -0.465 1.00 73.65 93 A 1 ATOM 732 C CB . ALA A 1 93 ? -6.083 0.645 1.999 1.00 72.07 93 A 1 ATOM 733 N N . PRO A 1 94 ? -7.248 1.071 -0.898 1.00 77.07 94 A 1 ATOM 734 C CA . PRO A 1 94 ? -7.190 0.886 -2.346 1.00 76.91 94 A 1 ATOM 735 C C . PRO A 1 94 ? -6.315 -0.311 -2.744 1.00 78.59 94 A 1 ATOM 736 O O . PRO A 1 94 ? -5.275 -0.556 -2.133 1.00 75.44 94 A 1 ATOM 737 C CB . PRO A 1 94 ? -6.640 2.205 -2.905 1.00 73.87 94 A 1 ATOM 738 C CG . PRO A 1 94 ? -7.055 3.230 -1.855 1.00 72.23 94 A 1 ATOM 739 C CD . PRO A 1 94 ? -6.934 2.452 -0.554 1.00 74.98 94 A 1 ATOM 740 N N . GLU A 1 95 ? -6.724 -1.026 -3.792 1.00 79.81 95 A 1 ATOM 741 C CA . GLU A 1 95 ? -6.001 -2.177 -4.353 1.00 81.87 95 A 1 ATOM 742 C C . GLU A 1 95 ? -4.542 -1.850 -4.710 1.00 82.63 95 A 1 ATOM 743 O O . GLU A 1 95 ? -3.670 -2.715 -4.616 1.00 80.03 95 A 1 ATOM 744 C CB . GLU A 1 95 ? -6.788 -2.735 -5.552 1.00 79.29 95 A 1 ATOM 745 C CG . GLU A 1 95 ? -6.962 -1.761 -6.736 1.00 71.67 95 A 1 ATOM 746 C CD . GLU A 1 95 ? -7.983 -2.253 -7.795 1.00 68.79 95 A 1 ATOM 747 O OE1 . GLU A 1 95 ? -8.318 -1.456 -8.697 1.00 60.56 95 A 1 ATOM 748 O OE2 . GLU A 1 95 ? -8.488 -3.399 -7.658 1.00 61.08 95 A 1 ATOM 749 N N . ASP A 1 96 ? -4.251 -0.573 -4.964 1.00 79.37 96 A 1 ATOM 750 C CA . ASP A 1 96 ? -2.915 -0.045 -5.225 1.00 80.37 96 A 1 ATOM 751 C C . ASP A 1 96 ? -1.903 -0.370 -4.112 1.00 82.71 96 A 1 ATOM 752 O O . ASP A 1 96 ? -0.711 -0.521 -4.378 1.00 81.52 96 A 1 ATOM 753 C CB . ASP A 1 96 ? -2.986 1.485 -5.371 1.00 76.88 96 A 1 ATOM 754 C CG . ASP A 1 96 ? -3.923 1.992 -6.470 1.00 69.53 96 A 1 ATOM 755 O OD1 . ASP A 1 96 ? -4.253 1.210 -7.377 1.00 64.75 96 A 1 ATOM 756 O OD2 . ASP A 1 96 ? -4.338 3.169 -6.341 1.00 62.87 96 A 1 ATOM 757 N N . ASN A 1 97 ? -2.340 -0.502 -2.837 1.00 84.13 97 A 1 ATOM 758 C CA . ASN A 1 97 ? -1.438 -0.804 -1.727 1.00 85.32 97 A 1 ATOM 759 C C . ASN A 1 97 ? -0.849 -2.212 -1.851 1.00 87.57 97 A 1 ATOM 760 O O . ASN A 1 97 ? 0.363 -2.392 -1.718 1.00 87.26 97 A 1 ATOM 761 C CB . ASN A 1 97 ? -2.181 -0.657 -0.389 1.00 82.83 97 A 1 ATOM 762 C CG . ASN A 1 97 ? -2.334 0.772 0.089 1.00 79.46 97 A 1 ATOM 763 O OD1 . ASN A 1 97 ? -1.985 1.751 -0.549 1.00 74.36 97 A 1 ATOM 764 N ND2 . ASN A 1 97 ? -2.841 0.936 1.289 1.00 73.08 97 A 1 ATOM 765 N N . VAL A 1 98 ? -1.697 -3.216 -2.097 1.00 88.12 98 A 1 ATOM 766 C CA . VAL A 1 98 ? -1.238 -4.600 -2.244 1.00 90.22 98 A 1 ATOM 767 C C . VAL A 1 98 ? -0.515 -4.802 -3.577 1.00 90.84 98 A 1 ATOM 768 O O . VAL A 1 98 ? 0.519 -5.463 -3.603 1.00 90.54 98 A 1 ATOM 769 C CB . VAL A 1 98 ? -2.385 -5.600 -1.999 1.00 90.39 98 A 1 ATOM 770 C CG1 . VAL A 1 98 ? -3.469 -5.592 -3.078 1.00 84.93 98 A 1 ATOM 771 C CG2 . VAL A 1 98 ? -1.833 -7.021 -1.847 1.00 85.34 98 A 1 ATOM 772 N N . ALA A 1 99 ? -0.961 -4.137 -4.650 1.00 90.27 99 A 1 ATOM 773 C CA . ALA A 1 99 ? -0.268 -4.139 -5.936 1.00 89.85 99 A 1 ATOM 774 C C . ALA A 1 99 ? 1.150 -3.557 -5.810 1.00 90.40 99 A 1 ATOM 775 O O . ALA A 1 99 ? 2.123 -4.185 -6.226 1.00 90.19 99 A 1 ATOM 776 C CB . ALA A 1 99 ? -1.119 -3.360 -6.948 1.00 88.77 99 A 1 ATOM 777 N N . SER A 1 100 ? 1.296 -2.401 -5.138 1.00 87.63 100 A 1 ATOM 778 C CA . SER A 1 100 ? 2.598 -1.770 -4.886 1.00 87.42 100 A 1 ATOM 779 C C . SER A 1 100 ? 3.526 -2.656 -4.058 1.00 89.06 100 A 1 ATOM 780 O O . SER A 1 100 ? 4.723 -2.730 -4.340 1.00 88.65 100 A 1 ATOM 781 C CB . SER A 1 100 ? 2.427 -0.436 -4.153 1.00 85.14 100 A 1 ATOM 782 O OG . SER A 1 100 ? 1.715 0.497 -4.932 1.00 75.13 100 A 1 ATOM 783 N N . LEU A 1 101 ? 2.990 -3.359 -3.046 1.00 89.05 101 A 1 ATOM 784 C CA . LEU A 1 101 ? 3.753 -4.331 -2.261 1.00 90.45 101 A 1 ATOM 785 C C . LEU A 1 101 ? 4.275 -5.470 -3.144 1.00 91.51 101 A 1 ATOM 786 O O . LEU A 1 101 ? 5.467 -5.775 -3.102 1.00 91.56 101 A 1 ATOM 787 C CB . LEU A 1 101 ? 2.872 -4.855 -1.105 1.00 90.89 101 A 1 ATOM 788 C CG . LEU A 1 101 ? 3.481 -6.048 -0.346 1.00 90.24 101 A 1 ATOM 789 C CD1 . LEU A 1 101 ? 4.809 -5.689 0.304 1.00 87.29 101 A 1 ATOM 790 C CD2 . LEU A 1 101 ? 2.538 -6.526 0.756 1.00 86.78 101 A 1 ATOM 791 N N . ILE A 1 102 ? 3.402 -6.086 -3.948 1.00 91.69 102 A 1 ATOM 792 C CA . ILE A 1 102 ? 3.753 -7.214 -4.821 1.00 92.66 102 A 1 ATOM 793 C C . ILE A 1 102 ? 4.796 -6.784 -5.858 1.00 92.81 102 A 1 ATOM 794 O O . ILE A 1 102 ? 5.814 -7.459 -6.012 1.00 92.66 102 A 1 ATOM 795 C CB . ILE A 1 102 ? 2.478 -7.801 -5.473 1.00 93.23 102 A 1 ATOM 796 C CG1 . ILE A 1 102 ? 1.610 -8.498 -4.396 1.00 93.14 102 A 1 ATOM 797 C CG2 . ILE A 1 102 ? 2.832 -8.802 -6.591 1.00 93.18 102 A 1 ATOM 798 C CD1 . ILE A 1 102 ? 0.200 -8.867 -4.871 1.00 91.89 102 A 1 ATOM 799 N N . ILE A 1 103 ? 4.595 -5.640 -6.526 1.00 92.03 103 A 1 ATOM 800 C CA . ILE A 1 103 ? 5.533 -5.095 -7.516 1.00 91.56 103 A 1 ATOM 801 C C . ILE A 1 103 ? 6.890 -4.787 -6.869 1.00 91.86 103 A 1 ATOM 802 O O . ILE A 1 103 ? 7.928 -5.186 -7.393 1.00 91.77 103 A 1 ATOM 803 C CB . ILE A 1 103 ? 4.917 -3.849 -8.194 1.00 90.63 103 A 1 ATOM 804 C CG1 . ILE A 1 103 ? 3.746 -4.277 -9.113 1.00 88.51 103 A 1 ATOM 805 C CG2 . ILE A 1 103 ? 5.977 -3.070 -8.998 1.00 88.32 103 A 1 ATOM 806 C CD1 . ILE A 1 103 ? 2.902 -3.104 -9.636 1.00 82.27 103 A 1 ATOM 807 N N . GLY A 1 104 ? 6.902 -4.112 -5.712 1.00 89.94 104 A 1 ATOM 808 C CA . GLY A 1 104 ? 8.139 -3.778 -4.999 1.00 89.00 104 A 1 ATOM 809 C C . GLY A 1 104 ? 8.920 -5.017 -4.561 1.00 90.29 104 A 1 ATOM 810 O O . GLY A 1 104 ? 10.140 -5.082 -4.736 1.00 89.85 104 A 1 ATOM 811 N N . TRP A 1 105 ? 8.219 -6.036 -4.061 1.00 91.44 105 A 1 ATOM 812 C CA . TRP A 1 105 ? 8.850 -7.308 -3.714 1.00 92.89 105 A 1 ATOM 813 C C . TRP A 1 105 ? 9.380 -8.038 -4.953 1.00 93.44 105 A 1 ATOM 814 O O . TRP A 1 105 ? 10.515 -8.509 -4.943 1.00 93.20 105 A 1 ATOM 815 C CB . TRP A 1 105 ? 7.870 -8.176 -2.928 1.00 93.56 105 A 1 ATOM 816 C CG . TRP A 1 105 ? 8.415 -9.503 -2.465 1.00 94.03 105 A 1 ATOM 817 C CD1 . TRP A 1 105 ? 9.717 -9.864 -2.395 1.00 92.64 105 A 1 ATOM 818 C CD2 . TRP A 1 105 ? 7.669 -10.669 -2.010 1.00 94.22 105 A 1 ATOM 819 N NE1 . TRP A 1 105 ? 9.829 -11.163 -1.944 1.00 93.08 105 A 1 ATOM 820 C CE2 . TRP A 1 105 ? 8.594 -11.707 -1.686 1.00 93.97 105 A 1 ATOM 821 C CE3 . TRP A 1 105 ? 6.297 -10.947 -1.831 1.00 93.72 105 A 1 ATOM 822 C CZ2 . TRP A 1 105 ? 8.184 -12.959 -1.208 1.00 93.65 105 A 1 ATOM 823 C CZ3 . TRP A 1 105 ? 5.876 -12.196 -1.347 1.00 92.97 105 A 1 ATOM 824 C CH2 . TRP A 1 105 ? 6.812 -13.201 -1.038 1.00 92.59 105 A 1 ATOM 825 N N . TYR A 1 106 ? 8.623 -8.070 -6.046 1.00 92.39 106 A 1 ATOM 826 C CA . TYR A 1 106 ? 9.077 -8.690 -7.289 1.00 93.22 106 A 1 ATOM 827 C C . TYR A 1 106 ? 10.330 -8.018 -7.852 1.00 93.12 106 A 1 ATOM 828 O O . TYR A 1 106 ? 11.275 -8.701 -8.238 1.00 93.28 106 A 1 ATOM 829 C CB . TYR A 1 106 ? 7.954 -8.668 -8.323 1.00 94.34 106 A 1 ATOM 830 C CG . TYR A 1 106 ? 8.337 -9.366 -9.615 1.00 95.13 106 A 1 ATOM 831 C CD1 . TYR A 1 106 ? 8.300 -8.671 -10.839 1.00 93.75 106 A 1 ATOM 832 C CD2 . TYR A 1 106 ? 8.748 -10.713 -9.588 1.00 94.01 106 A 1 ATOM 833 C CE1 . TYR A 1 106 ? 8.650 -9.331 -12.032 1.00 94.31 106 A 1 ATOM 834 C CE2 . TYR A 1 106 ? 9.106 -11.370 -10.778 1.00 94.21 106 A 1 ATOM 835 C CZ . TYR A 1 106 ? 9.051 -10.681 -12.004 1.00 95.55 106 A 1 ATOM 836 O OH . TYR A 1 106 ? 9.384 -11.323 -13.150 1.00 95.25 106 A 1 ATOM 837 N N . GLN A 1 107 ? 10.395 -6.686 -7.844 1.00 92.02 107 A 1 ATOM 838 C CA . GLN A 1 107 ? 11.584 -5.947 -8.272 1.00 90.90 107 A 1 ATOM 839 C C . GLN A 1 107 ? 12.822 -6.310 -7.438 1.00 91.07 107 A 1 ATOM 840 O O . GLN A 1 107 ? 13.889 -6.537 -8.007 1.00 90.83 107 A 1 ATOM 841 C CB . GLN A 1 107 ? 11.311 -4.442 -8.188 1.00 90.05 107 A 1 ATOM 842 C CG . GLN A 1 107 ? 10.373 -3.959 -9.304 1.00 86.81 107 A 1 ATOM 843 C CD . GLN A 1 107 ? 10.006 -2.484 -9.164 1.00 83.87 107 A 1 ATOM 844 O OE1 . GLN A 1 107 ? 10.284 -1.815 -8.182 1.00 79.04 107 A 1 ATOM 845 N NE2 . GLN A 1 107 ? 9.372 -1.908 -10.159 1.00 76.34 107 A 1 ATOM 846 N N . ALA A 1 108 ? 12.683 -6.420 -6.112 1.00 90.03 108 A 1 ATOM 847 C CA . ALA A 1 108 ? 13.768 -6.870 -5.235 1.00 89.36 108 A 1 ATOM 848 C C . ALA A 1 108 ? 14.173 -8.325 -5.541 1.00 90.62 108 A 1 ATOM 849 O O . ALA A 1 108 ? 15.349 -8.600 -5.767 1.00 90.42 108 A 1 ATOM 850 C CB . ALA A 1 108 ? 13.334 -6.680 -3.774 1.00 88.14 108 A 1 ATOM 851 N N . HIS A 1 109 ? 13.206 -9.225 -5.668 1.00 91.30 109 A 1 ATOM 852 C CA . HIS A 1 109 ? 13.421 -10.626 -6.048 1.00 92.27 109 A 1 ATOM 853 C C . HIS A 1 109 ? 14.209 -10.758 -7.365 1.00 92.93 109 A 1 ATOM 854 O O . HIS A 1 109 ? 15.170 -11.520 -7.454 1.00 92.60 109 A 1 ATOM 855 C CB . HIS A 1 109 ? 12.044 -11.302 -6.152 1.00 92.96 109 A 1 ATOM 856 C CG . HIS A 1 109 ? 12.088 -12.691 -6.734 1.00 93.93 109 A 1 ATOM 857 N ND1 . HIS A 1 109 ? 12.460 -13.839 -6.065 1.00 89.49 109 A 1 ATOM 858 C CD2 . HIS A 1 109 ? 11.736 -13.041 -8.006 1.00 90.22 109 A 1 ATOM 859 C CE1 . HIS A 1 109 ? 12.316 -14.860 -6.920 1.00 91.22 109 A 1 ATOM 860 N NE2 . HIS A 1 109 ? 11.881 -14.420 -8.111 1.00 92.00 109 A 1 ATOM 861 N N . ARG A 1 110 ? 13.859 -9.969 -8.383 1.00 92.26 110 A 1 ATOM 862 C CA . ARG A 1 110 ? 14.566 -9.952 -9.674 1.00 92.96 110 A 1 ATOM 863 C C . ARG A 1 110 ? 15.972 -9.360 -9.568 1.00 92.72 110 A 1 ATOM 864 O O . ARG A 1 110 ? 16.877 -9.873 -10.221 1.00 92.17 110 A 1 ATOM 865 C CB . ARG A 1 110 ? 13.735 -9.180 -10.714 1.00 93.40 110 A 1 ATOM 866 C CG . ARG A 1 110 ? 12.407 -9.857 -11.080 1.00 91.90 110 A 1 ATOM 867 C CD . ARG A 1 110 ? 12.579 -11.199 -11.779 1.00 90.27 110 A 1 ATOM 868 N NE . ARG A 1 110 ? 13.175 -11.032 -13.116 1.00 87.00 110 A 1 ATOM 869 C CZ . ARG A 1 110 ? 13.903 -11.905 -13.770 1.00 86.62 110 A 1 ATOM 870 N NH1 . ARG A 1 110 ? 14.228 -13.054 -13.265 1.00 78.95 110 A 1 ATOM 871 N NH2 . ARG A 1 110 ? 14.318 -11.630 -14.970 1.00 79.52 110 A 1 ATOM 872 N N . ALA A 1 111 ? 16.162 -8.316 -8.759 1.00 91.98 111 A 1 ATOM 873 C CA . ALA A 1 111 ? 17.480 -7.725 -8.514 1.00 90.75 111 A 1 ATOM 874 C C . ALA A 1 111 ? 18.445 -8.714 -7.834 1.00 91.10 111 A 1 ATOM 875 O O . ALA A 1 111 ? 19.631 -8.739 -8.166 1.00 89.70 111 A 1 ATOM 876 C CB . ALA A 1 111 ? 17.299 -6.443 -7.687 1.00 89.72 111 A 1 ATOM 877 N N . ASP A 1 112 ? 17.924 -9.587 -6.975 1.00 91.51 112 A 1 ATOM 878 C CA . ASP A 1 112 ? 18.675 -10.650 -6.299 1.00 91.56 112 A 1 ATOM 879 C C . ASP A 1 112 ? 18.858 -11.918 -7.167 1.00 92.94 112 A 1 ATOM 880 O O . ASP A 1 112 ? 19.396 -12.928 -6.714 1.00 91.50 112 A 1 ATOM 881 C CB . ASP A 1 112 ? 18.010 -10.945 -4.942 1.00 90.01 112 A 1 ATOM 882 C CG . ASP A 1 112 ? 18.149 -9.795 -3.931 1.00 85.05 112 A 1 ATOM 883 O OD1 . ASP A 1 112 ? 19.082 -8.966 -4.085 1.00 80.26 112 A 1 ATOM 884 O OD2 . ASP A 1 112 ? 17.352 -9.778 -2.969 1.00 79.04 112 A 1 ATOM 885 N N . GLY A 1 113 ? 18.461 -11.871 -8.444 1.00 93.29 113 A 1 ATOM 886 C CA . GLY A 1 113 ? 18.620 -12.972 -9.402 1.00 94.63 113 A 1 ATOM 887 C C . GLY A 1 113 ? 17.511 -14.027 -9.355 1.00 95.58 113 A 1 ATOM 888 O O . GLY A 1 113 ? 17.678 -15.109 -9.928 1.00 93.76 113 A 1 ATOM 889 N N . GLY A 1 114 ? 16.392 -13.724 -8.707 1.00 94.74 114 A 1 ATOM 890 C CA . GLY A 1 114 ? 15.217 -14.590 -8.656 1.00 94.87 114 A 1 ATOM 891 C C . GLY A 1 114 ? 14.569 -14.826 -10.027 1.00 95.94 114 A 1 ATOM 892 O O . GLY A 1 114 ? 14.763 -14.069 -10.985 1.00 95.62 114 A 1 ATOM 893 N N . ALA A 1 115 ? 13.785 -15.903 -10.133 1.00 95.66 115 A 1 ATOM 894 C CA . ALA A 1 115 ? 13.120 -16.300 -11.373 1.00 95.87 115 A 1 ATOM 895 C C . ALA A 1 115 ? 12.073 -15.265 -11.828 1.00 96.27 115 A 1 ATOM 896 O O . ALA A 1 115 ? 11.485 -14.554 -11.016 1.00 95.54 115 A 1 ATOM 897 C CB . ALA A 1 115 ? 12.505 -17.694 -11.193 1.00 94.97 115 A 1 ATOM 898 N N . ALA A 1 116 ? 11.838 -15.180 -13.140 1.00 96.30 116 A 1 ATOM 899 C CA . ALA A 1 116 ? 10.774 -14.344 -13.687 1.00 96.46 116 A 1 ATOM 900 C C . ALA A 1 116 ? 9.397 -14.954 -13.390 1.00 96.75 116 A 1 ATOM 901 O O . ALA A 1 116 ? 9.233 -16.175 -13.465 1.00 95.78 116 A 1 ATOM 902 C CB . ALA A 1 116 ? 10.994 -14.150 -15.192 1.00 95.25 116 A 1 ATOM 903 N N . ASP A 1 117 ? 8.425 -14.083 -13.107 1.00 96.57 117 A 1 ATOM 904 C CA . ASP A 1 117 ? 7.012 -14.428 -12.979 1.00 96.61 117 A 1 ATOM 905 C C . ASP A 1 117 ? 6.228 -13.646 -14.048 1.00 96.84 117 A 1 ATOM 906 O O . ASP A 1 117 ? 6.232 -12.414 -14.022 1.00 96.42 117 A 1 ATOM 907 C CB . ASP A 1 117 ? 6.522 -14.120 -11.561 1.00 96.30 117 A 1 ATOM 908 C CG . ASP A 1 117 ? 5.081 -14.581 -11.365 1.00 96.16 117 A 1 ATOM 909 O OD1 . ASP A 1 117 ? 4.198 -14.032 -12.064 1.00 92.88 117 A 1 ATOM 910 O OD2 . ASP A 1 117 ? 4.874 -15.513 -10.558 1.00 92.72 117 A 1 ATOM 911 N N . PRO A 1 118 ? 5.585 -14.326 -15.014 1.00 96.10 118 A 1 ATOM 912 C CA . PRO A 1 118 ? 4.922 -13.650 -16.130 1.00 95.38 118 A 1 ATOM 913 C C . PRO A 1 118 ? 3.752 -12.761 -15.689 1.00 95.34 118 A 1 ATOM 914 O O . PRO A 1 118 ? 3.491 -11.745 -16.324 1.00 94.50 118 A 1 ATOM 915 C CB . PRO A 1 118 ? 4.454 -14.784 -17.055 1.00 94.93 118 A 1 ATOM 916 C CG . PRO A 1 118 ? 4.310 -15.983 -16.117 1.00 92.87 118 A 1 ATOM 917 C CD . PRO A 1 118 ? 5.433 -15.764 -15.108 1.00 95.79 118 A 1 ATOM 918 N N . VAL A 1 119 ? 3.060 -13.105 -14.597 1.00 95.54 119 A 1 ATOM 919 C CA . VAL A 1 119 ? 1.943 -12.293 -14.084 1.00 95.15 119 A 1 ATOM 920 C C . VAL A 1 119 ? 2.471 -11.014 -13.434 1.00 94.84 119 A 1 ATOM 921 O O . VAL A 1 119 ? 1.907 -9.938 -13.634 1.00 94.17 119 A 1 ATOM 922 C CB . VAL A 1 119 ? 1.076 -13.094 -13.095 1.00 95.06 119 A 1 ATOM 923 C CG1 . VAL A 1 119 ? -0.119 -12.272 -12.599 1.00 92.95 119 A 1 ATOM 924 C CG2 . VAL A 1 119 ? 0.526 -14.373 -13.742 1.00 93.05 119 A 1 ATOM 925 N N . ALA A 1 120 ? 3.580 -11.094 -12.692 1.00 95.33 120 A 1 ATOM 926 C CA . ALA A 1 120 ? 4.232 -9.918 -12.125 1.00 94.80 120 A 1 ATOM 927 C C . ALA A 1 120 ? 4.842 -9.010 -13.209 1.00 94.04 120 A 1 ATOM 928 O O . ALA A 1 120 ? 4.749 -7.785 -13.098 1.00 93.89 120 A 1 ATOM 929 C CB . ALA A 1 120 ? 5.279 -10.381 -11.111 1.00 95.07 120 A 1 ATOM 930 N N . ASP A 1 121 ? 5.432 -9.586 -14.267 1.00 95.75 121 A 1 ATOM 931 C CA . ASP A 1 121 ? 5.925 -8.819 -15.418 1.00 94.90 121 A 1 ATOM 932 C C . ASP A 1 121 ? 4.776 -8.062 -16.118 1.00 93.98 121 A 1 ATOM 933 O O . ASP A 1 121 ? 4.914 -6.871 -16.420 1.00 92.89 121 A 1 ATOM 934 C CB . ASP A 1 121 ? 6.663 -9.745 -16.412 1.00 94.77 121 A 1 ATOM 935 C CG . ASP A 1 121 ? 8.064 -10.212 -15.964 1.00 94.16 121 A 1 ATOM 936 O OD1 . ASP A 1 121 ? 8.739 -9.502 -15.179 1.00 90.77 121 A 1 ATOM 937 O OD2 . ASP A 1 121 ? 8.531 -11.260 -16.469 1.00 91.36 121 A 1 ATOM 938 N N . ASP A 1 122 ? 3.615 -8.706 -16.308 1.00 94.74 122 A 1 ATOM 939 C CA . ASP A 1 122 ? 2.411 -8.079 -16.861 1.00 92.75 122 A 1 ATOM 940 C C . ASP A 1 122 ? 1.897 -6.937 -15.965 1.00 92.03 122 A 1 ATOM 941 O O . ASP A 1 122 ? 1.605 -5.850 -16.466 1.00 90.77 122 A 1 ATOM 942 C CB . ASP A 1 122 ? 1.292 -9.118 -17.047 1.00 91.54 122 A 1 ATOM 943 C CG . ASP A 1 122 ? 1.417 -10.033 -18.274 1.00 83.88 122 A 1 ATOM 944 O OD1 . ASP A 1 122 ? 2.264 -9.774 -19.158 1.00 78.95 122 A 1 ATOM 945 O OD2 . ASP A 1 122 ? 0.561 -10.954 -18.354 1.00 77.31 122 A 1 ATOM 946 N N . LEU A 1 123 ? 1.836 -7.132 -14.634 1.00 90.95 123 A 1 ATOM 947 C CA . LEU A 1 123 ? 1.432 -6.094 -13.672 1.00 88.86 123 A 1 ATOM 948 C C . LEU A 1 123 ? 2.323 -4.848 -13.748 1.00 88.88 123 A 1 ATOM 949 O O . LEU A 1 123 ? 1.833 -3.720 -13.702 1.00 88.25 123 A 1 ATOM 950 C CB . LEU A 1 123 ? 1.495 -6.660 -12.241 1.00 87.85 123 A 1 ATOM 951 C CG . LEU A 1 123 ? 0.295 -7.514 -11.811 1.00 82.90 123 A 1 ATOM 952 C CD1 . LEU A 1 123 ? 0.597 -8.131 -10.439 1.00 79.18 123 A 1 ATOM 953 C CD2 . LEU A 1 123 ? -0.967 -6.657 -11.689 1.00 79.07 123 A 1 ATOM 954 N N . ILE A 1 124 ? 3.639 -5.035 -13.873 1.00 89.79 124 A 1 ATOM 955 C CA . ILE A 1 124 ? 4.576 -3.920 -14.046 1.00 89.12 124 A 1 ATOM 956 C C . ILE A 1 124 ? 4.317 -3.201 -15.372 1.00 88.80 124 A 1 ATOM 957 O O . ILE A 1 124 ? 4.307 -1.970 -15.413 1.00 88.46 124 A 1 ATOM 958 C CB . ILE A 1 124 ? 6.036 -4.413 -13.937 1.00 88.94 124 A 1 ATOM 959 C CG1 . ILE A 1 124 ? 6.337 -4.794 -12.468 1.00 86.97 124 A 1 ATOM 960 C CG2 . ILE A 1 124 ? 7.035 -3.339 -14.414 1.00 86.67 124 A 1 ATOM 961 C CD1 . ILE A 1 124 ? 7.676 -5.507 -12.283 1.00 82.90 124 A 1 ATOM 962 N N . ALA A 1 125 ? 4.099 -3.948 -16.454 1.00 90.45 125 A 1 ATOM 963 C CA . ALA A 1 125 ? 3.816 -3.361 -17.761 1.00 89.87 125 A 1 ATOM 964 C C . ALA A 1 125 ? 2.515 -2.537 -17.755 1.00 88.86 125 A 1 ATOM 965 O O . ALA A 1 125 ? 2.488 -1.437 -18.315 1.00 88.02 125 A 1 ATOM 966 C CB . ALA A 1 125 ? 3.787 -4.484 -18.804 1.00 90.44 125 A 1 ATOM 967 N N . GLU A 1 126 ? 1.465 -3.021 -17.088 1.00 89.36 126 A 1 ATOM 968 C CA . GLU A 1 126 ? 0.197 -2.312 -16.888 1.00 87.46 126 A 1 ATOM 969 C C . GLU A 1 126 ? 0.402 -1.023 -16.085 1.00 87.41 126 A 1 ATOM 970 O O . GLU A 1 126 ? 0.063 0.058 -16.575 1.00 86.17 126 A 1 ATOM 971 C CB . GLU A 1 126 ? -0.830 -3.241 -16.211 1.00 85.77 126 A 1 ATOM 972 C CG . GLU A 1 126 ? -1.375 -4.284 -17.207 1.00 81.80 126 A 1 ATOM 973 C CD . GLU A 1 126 ? -2.259 -5.389 -16.577 1.00 81.49 126 A 1 ATOM 974 O OE1 . GLU A 1 126 ? -2.751 -6.249 -17.345 1.00 72.95 126 A 1 ATOM 975 O OE2 . GLU A 1 126 ? -2.412 -5.490 -15.345 1.00 74.21 126 A 1 ATOM 976 N N . ALA A 1 127 ? 1.068 -1.103 -14.923 1.00 84.88 127 A 1 ATOM 977 C CA . ALA A 1 127 ? 1.349 0.067 -14.089 1.00 83.35 127 A 1 ATOM 978 C C . ALA A 1 127 ? 2.168 1.140 -14.838 1.00 84.40 127 A 1 ATOM 979 O O . ALA A 1 127 ? 1.889 2.337 -14.745 1.00 83.83 127 A 1 ATOM 980 C CB . ALA A 1 127 ? 2.077 -0.416 -12.825 1.00 82.09 127 A 1 ATOM 981 N N . MET A 1 128 ? 3.158 0.731 -15.627 1.00 85.08 128 A 1 ATOM 982 C CA . MET A 1 128 ? 3.935 1.650 -16.469 1.00 85.17 128 A 1 ATOM 983 C C . MET A 1 128 ? 3.090 2.294 -17.579 1.00 85.61 128 A 1 ATOM 984 O O . MET A 1 128 ? 3.293 3.463 -17.911 1.00 86.47 128 A 1 ATOM 985 C CB . MET A 1 128 ? 5.118 0.908 -17.106 1.00 85.41 128 A 1 ATOM 986 C CG . MET A 1 128 ? 6.226 0.557 -16.105 1.00 81.62 128 A 1 ATOM 987 S SD . MET A 1 128 ? 7.656 -0.303 -16.835 1.00 75.73 128 A 1 ATOM 988 C CE . MET A 1 128 ? 8.346 1.034 -17.851 1.00 65.21 128 A 1 ATOM 989 N N . ALA A 1 129 ? 2.165 1.543 -18.176 1.00 86.43 129 A 1 ATOM 990 C CA . ALA A 1 129 ? 1.266 2.058 -19.206 1.00 86.86 129 A 1 ATOM 991 C C . ALA A 1 129 ? 0.249 3.060 -18.635 1.00 86.30 129 A 1 ATOM 992 O O . ALA A 1 129 ? -0.010 4.091 -19.260 1.00 85.03 129 A 1 ATOM 993 C CB . ALA A 1 129 ? 0.581 0.876 -19.903 1.00 87.10 129 A 1 ATOM 994 N N . GLU A 1 130 ? -0.283 2.797 -17.444 1.00 85.30 130 A 1 ATOM 995 C CA . GLU A 1 130 ? -1.190 3.696 -16.723 1.00 83.88 130 A 1 ATOM 996 C C . GLU A 1 130 ? -0.497 5.007 -16.333 1.00 84.49 130 A 1 ATOM 997 O O . GLU A 1 130 ? -1.021 6.089 -16.618 1.00 82.44 130 A 1 ATOM 998 C CB . GLU A 1 130 ? -1.757 2.987 -15.484 1.00 81.04 130 A 1 ATOM 999 C CG . GLU A 1 130 ? -2.763 1.880 -15.859 1.00 76.68 130 A 1 ATOM 1000 C CD . GLU A 1 130 ? -3.379 1.177 -14.629 1.00 75.58 130 A 1 ATOM 1001 O OE1 . GLU A 1 130 ? -4.418 0.493 -14.814 1.00 67.25 130 A 1 ATOM 1002 O OE2 . GLU A 1 130 ? -2.854 1.354 -13.506 1.00 67.60 130 A 1 ATOM 1003 N N . ASP A 1 131 ? 0.719 4.934 -15.777 1.00 81.46 131 A 1 ATOM 1004 C CA . ASP A 1 131 ? 1.523 6.116 -15.436 1.00 82.22 131 A 1 ATOM 1005 C C . ASP A 1 131 ? 1.838 6.959 -16.685 1.00 84.05 131 A 1 ATOM 1006 O O . ASP A 1 131 ? 1.636 8.179 -16.700 1.00 83.34 131 A 1 ATOM 1007 C CB . ASP A 1 131 ? 2.812 5.670 -14.720 1.00 79.69 131 A 1 ATOM 1008 C CG . ASP A 1 131 ? 3.636 6.851 -14.182 1.00 74.71 131 A 1 ATOM 1009 O OD1 . ASP A 1 131 ? 3.048 7.691 -13.460 1.00 72.69 131 A 1 ATOM 1010 O OD2 . ASP A 1 131 ? 4.849 6.907 -14.474 1.00 71.37 131 A 1 ATOM 1011 N N . ALA A 1 132 ? 2.223 6.317 -17.791 1.00 86.09 132 A 1 ATOM 1012 C CA . ALA A 1 132 ? 2.467 6.997 -19.067 1.00 87.74 132 A 1 ATOM 1013 C C . ALA A 1 132 ? 1.203 7.644 -19.659 1.00 88.08 132 A 1 ATOM 1014 O O . ALA A 1 132 ? 1.289 8.664 -20.351 1.00 86.00 132 A 1 ATOM 1015 C CB . ALA A 1 132 ? 3.082 5.988 -20.047 1.00 87.65 132 A 1 ATOM 1016 N N . ALA A 1 133 ? 0.019 7.079 -19.388 1.00 87.10 133 A 1 ATOM 1017 C CA . ALA A 1 133 ? -1.277 7.627 -19.786 1.00 86.52 133 A 1 ATOM 1018 C C . ALA A 1 133 ? -1.804 8.714 -18.822 1.00 84.74 133 A 1 ATOM 1019 O O . ALA A 1 133 ? -2.849 9.317 -19.087 1.00 80.07 133 A 1 ATOM 1020 C CB . ALA A 1 133 ? -2.263 6.464 -19.953 1.00 85.73 133 A 1 ATOM 1021 N N . GLY A 1 134 ? -1.099 8.991 -17.715 1.00 81.84 134 A 1 ATOM 1022 C CA . GLY A 1 134 ? -1.535 9.920 -16.674 1.00 79.63 134 A 1 ATOM 1023 C C . GLY A 1 134 ? -2.742 9.420 -15.869 1.00 77.86 134 A 1 ATOM 1024 O O . GLY A 1 134 ? -3.425 10.220 -15.227 1.00 72.34 134 A 1 ATOM 1025 N N . GLN A 1 135 ? -3.026 8.119 -15.915 1.00 72.78 135 A 1 ATOM 1026 C CA . GLN A 1 135 ? -4.070 7.475 -15.128 1.00 70.33 135 A 1 ATOM 1027 C C . GLN A 1 135 ? -3.475 7.067 -13.775 1.00 67.41 135 A 1 ATOM 1028 O O . GLN A 1 135 ? -2.784 6.072 -13.663 1.00 62.25 135 A 1 ATOM 1029 C CB . GLN A 1 135 ? -4.660 6.273 -15.885 1.00 67.93 135 A 1 ATOM 1030 C CG . GLN A 1 135 ? -5.383 6.699 -17.169 1.00 61.71 135 A 1 ATOM 1031 C CD . GLN A 1 135 ? -6.091 5.535 -17.860 1.00 57.33 135 A 1 ATOM 1032 O OE1 . GLN A 1 135 ? -5.506 4.551 -18.255 1.00 55.06 135 A 1 ATOM 1033 N NE2 . GLN A 1 135 ? -7.388 5.618 -18.065 1.00 51.62 135 A 1 ATOM 1034 N N . GLN A 1 136 ? -3.739 7.864 -12.731 1.00 58.39 136 A 1 ATOM 1035 C CA . GLN A 1 136 ? -3.227 7.592 -11.374 1.00 57.47 136 A 1 ATOM 1036 C C . GLN A 1 136 ? -4.015 6.506 -10.618 1.00 56.53 136 A 1 ATOM 1037 O O . GLN A 1 136 ? -3.748 6.277 -9.444 1.00 52.72 136 A 1 ATOM 1038 C CB . GLN A 1 136 ? -3.182 8.900 -10.568 1.00 54.15 136 A 1 ATOM 1039 C CG . GLN A 1 136 ? -2.142 9.880 -11.127 1.00 49.23 136 A 1 ATOM 1040 C CD . GLN A 1 136 ? -1.918 11.096 -10.237 1.00 45.75 136 A 1 ATOM 1041 O OE1 . GLN A 1 136 ? -2.754 11.555 -9.468 1.00 42.64 136 A 1 ATOM 1042 N NE2 . GLN A 1 136 ? -0.749 11.692 -10.314 1.00 41.40 136 A 1 ATOM 1043 N N . PHE A 1 137 ? -5.018 5.887 -11.261 1.00 53.22 137 A 1 ATOM 1044 C CA . PHE A 1 137 ? -5.889 4.887 -10.645 1.00 54.35 137 A 1 ATOM 1045 C C . PHE A 1 137 ? -6.285 3.843 -11.689 1.00 53.35 137 A 1 ATOM 1046 O O . PHE A 1 137 ? -6.803 4.210 -12.751 1.00 49.72 137 A 1 ATOM 1047 C CB . PHE A 1 137 ? -7.146 5.562 -10.073 1.00 51.52 137 A 1 ATOM 1048 C CG . PHE A 1 137 ? -6.861 6.631 -9.030 1.00 47.64 137 A 1 ATOM 1049 C CD1 . PHE A 1 137 ? -6.491 6.260 -7.728 1.00 45.43 137 A 1 ATOM 1050 C CD2 . PHE A 1 137 ? -6.912 7.994 -9.377 1.00 44.28 137 A 1 ATOM 1051 C CE1 . PHE A 1 137 ? -6.156 7.241 -6.779 1.00 40.05 137 A 1 ATOM 1052 C CE2 . PHE A 1 137 ? -6.576 8.977 -8.425 1.00 41.25 137 A 1 ATOM 1053 C CZ . PHE A 1 137 ? -6.193 8.601 -7.125 1.00 40.52 137 A 1 ATOM 1054 N N . SER A 1 138 ? -6.090 2.556 -11.370 1.00 50.61 138 A 1 ATOM 1055 C CA . SER A 1 138 ? -6.630 1.452 -12.156 1.00 52.38 138 A 1 ATOM 1056 C C . SER A 1 138 ? -8.140 1.375 -11.941 1.00 52.29 138 A 1 ATOM 1057 O O . SER A 1 138 ? -8.637 1.367 -10.812 1.00 50.65 138 A 1 ATOM 1058 C CB . SER A 1 138 ? -5.946 0.132 -11.791 1.00 50.80 138 A 1 ATOM 1059 O OG . SER A 1 138 ? -6.139 -0.780 -12.844 1.00 45.19 138 A 1 ATOM 1060 N N . HIS A 1 139 ? -8.904 1.389 -13.019 1.00 43.39 139 A 1 ATOM 1061 C CA . HIS A 1 139 ? -10.348 1.188 -12.968 1.00 46.80 139 A 1 ATOM 1062 C C . HIS A 1 139 ? -10.671 -0.227 -13.438 1.00 46.96 139 A 1 ATOM 1063 O O . HIS A 1 139 ? -10.293 -0.607 -14.543 1.00 44.65 139 A 1 ATOM 1064 C CB . HIS A 1 139 ? -11.075 2.248 -13.800 1.00 44.58 139 A 1 ATOM 1065 C CG . HIS A 1 139 ? -11.063 3.622 -13.171 1.00 39.74 139 A 1 ATOM 1066 N ND1 . HIS A 1 139 ? -11.642 3.964 -11.969 1.00 36.81 139 A 1 ATOM 1067 C CD2 . HIS A 1 139 ? -10.493 4.761 -13.678 1.00 35.01 139 A 1 ATOM 1068 C CE1 . HIS A 1 139 ? -11.422 5.269 -11.753 1.00 33.71 139 A 1 ATOM 1069 N NE2 . HIS A 1 139 ? -10.739 5.806 -12.780 1.00 34.52 139 A 1 ATOM 1070 N N . GLN A 1 140 ? -11.431 -0.982 -12.630 1.00 45.00 140 A 1 ATOM 1071 C CA . GLN A 1 140 ? -11.974 -2.265 -13.072 1.00 47.91 140 A 1 ATOM 1072 C C . GLN A 1 140 ? -12.664 -2.107 -14.436 1.00 46.93 140 A 1 ATOM 1073 O O . GLN A 1 140 ? -13.453 -1.169 -14.613 1.00 45.27 140 A 1 ATOM 1074 C CB . GLN A 1 140 ? -12.986 -2.839 -12.066 1.00 46.71 140 A 1 ATOM 1075 C CG . GLN A 1 140 ? -12.314 -3.568 -10.897 1.00 42.36 140 A 1 ATOM 1076 C CD . GLN A 1 140 ? -13.294 -4.386 -10.061 1.00 38.78 140 A 1 ATOM 1077 O OE1 . GLN A 1 140 ? -14.512 -4.283 -10.159 1.00 36.64 140 A 1 ATOM 1078 N NE2 . GLN A 1 140 ? -12.793 -5.253 -9.203 1.00 35.24 140 A 1 ATOM 1079 N N . PRO A 1 141 ? -12.426 -3.023 -15.394 1.00 40.07 141 A 1 ATOM 1080 C CA . PRO A 1 141 ? -13.131 -2.998 -16.666 1.00 41.28 141 A 1 ATOM 1081 C C . PRO A 1 141 ? -14.638 -3.147 -16.410 1.00 41.24 141 A 1 ATOM 1082 O O . PRO A 1 141 ? -15.132 -4.185 -15.972 1.00 40.21 141 A 1 ATOM 1083 C CB . PRO A 1 141 ? -12.516 -4.120 -17.513 1.00 39.23 141 A 1 ATOM 1084 C CG . PRO A 1 141 ? -11.884 -5.060 -16.488 1.00 37.72 141 A 1 ATOM 1085 C CD . PRO A 1 141 ? -11.502 -4.145 -15.326 1.00 41.81 141 A 1 ATOM 1086 N N . GLY A 1 142 ? -15.378 -2.067 -16.649 1.00 35.73 142 A 1 ATOM 1087 C CA . GLY A 1 142 ? -16.829 -2.055 -16.499 1.00 38.56 142 A 1 ATOM 1088 C C . GLY A 1 142 ? -17.468 -3.075 -17.440 1.00 36.70 142 A 1 ATOM 1089 O O . GLY A 1 142 ? -17.194 -3.078 -18.639 1.00 34.04 142 A 1 ATOM 1090 N N . ARG A 1 143 ? -18.347 -3.922 -16.900 1.00 25.55 143 A 1 ATOM 1091 C CA . ARG A 1 143 ? -19.239 -4.746 -17.727 1.00 33.20 143 A 1 ATOM 1092 C C . ARG A 1 143 ? -20.217 -3.812 -18.446 1.00 30.84 143 A 1 ATOM 1093 O O . ARG A 1 143 ? -20.967 -3.100 -17.785 1.00 29.07 143 A 1 ATOM 1094 C CB . ARG A 1 143 ? -19.974 -5.795 -16.871 1.00 31.84 143 A 1 ATOM 1095 C CG . ARG A 1 143 ? -19.051 -6.949 -16.452 1.00 27.93 143 A 1 ATOM 1096 C CD . ARG A 1 143 ? -19.838 -8.010 -15.672 1.00 25.47 143 A 1 ATOM 1097 N NE . ARG A 1 143 ? -19.003 -9.188 -15.374 1.00 21.46 143 A 1 ATOM 1098 C CZ . ARG A 1 143 ? -19.369 -10.254 -14.682 1.00 19.77 143 A 1 ATOM 1099 N NH1 . ARG A 1 143 ? -20.558 -10.366 -14.159 1.00 20.42 143 A 1 ATOM 1100 N NH2 . ARG A 1 143 ? -18.521 -11.233 -14.492 1.00 19.35 143 A 1 ATOM 1101 N N . ALA A 1 144 ? -20.176 -3.818 -19.774 1.00 18.37 144 A 1 ATOM 1102 C CA . ALA A 1 144 ? -21.223 -3.252 -20.632 1.00 27.25 144 A 1 ATOM 1103 C C . ALA A 1 144 ? -22.464 -4.154 -20.664 1.00 24.98 144 A 1 ATOM 1104 O O . ALA A 1 144 ? -22.292 -5.392 -20.567 1.00 18.85 144 A 1 ATOM 1105 C CB . ALA A 1 144 ? -20.647 -3.016 -22.032 1.00 22.39 144 A 1 ATOM 1106 O OXT . ALA A 1 144 ? -23.557 -3.574 -20.816 1.00 18.35 144 A 1 #