# 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_acriic7 # _entry.id acriic7 # 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" "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" "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 ASN 2 1 n VAL 3 1 n ILE 4 1 n GLU 5 1 n ALA 6 1 n GLU 7 1 n LYS 8 1 n PHE 9 1 n LEU 10 1 n LYS 11 1 n PRO 12 1 n LYS 13 1 n THR 14 1 n ASN 15 1 n THR 16 1 n THR 17 1 n THR 18 1 n PHE 19 1 n LYS 20 1 n PHE 21 1 n LEU 22 1 n VAL 23 1 n ASP 24 1 n GLU 25 1 n LYS 26 1 n LEU 27 1 n THR 28 1 n ALA 29 1 n ASN 30 1 n LEU 31 1 n THR 32 1 n GLY 33 1 n MET 34 1 n LYS 35 1 n PRO 36 1 n ILE 37 1 n GLY 38 1 n ARG 39 1 n ILE 40 1 n ASP 41 1 n THR 42 1 n GLN 43 1 n ARG 44 1 n PHE 45 1 n LEU 46 1 n GLU 47 1 n SER 48 1 n HIS 49 1 n ARG 50 1 n ALA 51 1 n SER 52 1 n GLU 53 1 n PHE 54 1 n LYS 55 1 n ILE 56 1 n LEU 57 1 n LEU 58 1 n ASP 59 1 n ASN 60 1 n PRO 61 1 n LEU 62 1 n LYS 63 1 n GLU 64 1 n LEU 65 1 n LEU 66 1 n ASN 67 1 n TYR 68 1 n TYR 69 1 n GLY 70 1 n LEU 71 1 n THR 72 1 n GLN 73 1 n TYR 74 1 n TYR 75 1 n LEU 76 1 n GLN 77 1 n LYS 78 1 n GLU 79 1 n VAL 80 1 n GLY 81 1 n LEU 82 1 n SER 83 1 n GLN 84 1 n SER 85 1 n THR 86 1 n VAL 87 1 n SER 88 1 n LYS 89 1 n LEU 90 1 n ILE 91 1 n SER 92 1 n ASP 93 1 n ASN 94 1 n ARG 95 1 n PRO 96 1 n ILE 97 1 n GLY 98 1 n SER 99 1 n PHE 100 1 n GLN 101 1 n PHE 102 1 n ALA 103 1 n VAL 104 1 n LEU 105 1 n LEU 106 1 n LYS 107 1 n ILE 108 1 n ALA 109 1 n GLU 110 1 n ALA 111 1 n THR 112 1 n ASN 113 1 n ARG 114 1 n SER 115 1 n VAL 116 1 n GLY 117 1 n GLU 118 1 n VAL 119 1 n ALA 120 1 n ASP 121 1 n GLN 122 1 n LEU 123 1 n LYS 124 1 n GLU 125 1 n PHE 126 1 n ASN 127 1 n ASP 128 1 n LEU 129 1 n ARG 130 1 n ASP 131 1 n ALA 132 # _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 01:30:40)" _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 63.45 _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 31.53 1 1 A ASN 2 2 34.33 1 2 A VAL 3 2 37.17 1 3 A ILE 4 2 40.29 1 4 A GLU 5 2 35.52 1 5 A ALA 6 2 42.06 1 6 A GLU 7 2 36.50 1 7 A LYS 8 2 35.14 1 8 A PHE 9 2 32.44 1 9 A LEU 10 2 34.26 1 10 A LYS 11 2 32.28 1 11 A PRO 12 2 34.05 1 12 A LYS 13 2 32.53 1 13 A THR 14 2 32.98 1 14 A ASN 15 2 31.76 1 15 A THR 16 2 35.32 1 16 A THR 17 2 36.21 1 17 A THR 18 2 34.64 1 18 A PHE 19 2 30.59 1 19 A LYS 20 2 29.86 1 20 A PHE 21 2 31.95 1 21 A LEU 22 2 33.33 1 22 A VAL 23 2 36.10 1 23 A ASP 24 2 36.87 1 24 A GLU 25 2 37.68 1 25 A LYS 26 2 37.03 1 26 A LEU 27 2 37.81 1 27 A THR 28 2 37.68 1 28 A ALA 29 2 38.47 1 29 A ASN 30 2 36.85 1 30 A LEU 31 2 35.58 1 31 A THR 32 2 36.83 1 32 A GLY 33 2 45.61 1 33 A MET 34 2 39.08 1 34 A LYS 35 2 38.19 1 35 A PRO 36 2 40.50 1 36 A ILE 37 2 40.94 1 37 A GLY 38 2 43.96 1 38 A ARG 39 2 40.17 1 39 A ILE 40 2 42.94 1 40 A ASP 41 2 47.29 1 41 A THR 42 2 46.85 1 42 A GLN 43 2 50.45 1 43 A ARG 44 2 47.09 1 44 A PHE 45 2 42.14 1 45 A LEU 46 2 47.80 1 46 A GLU 47 2 47.84 1 47 A SER 48 2 50.55 1 48 A HIS 49 2 44.32 1 49 A ARG 50 2 42.64 1 50 A ALA 51 2 47.12 1 51 A SER 52 2 44.59 1 52 A GLU 53 2 40.41 1 53 A PHE 54 2 39.27 1 54 A LYS 55 2 39.36 1 55 A ILE 56 2 38.67 1 56 A LEU 57 2 43.54 1 57 A LEU 58 2 52.54 1 58 A ASP 59 2 63.45 1 59 A ASN 60 2 79.03 1 60 A PRO 61 2 86.59 1 61 A LEU 62 2 87.15 1 62 A LYS 63 2 79.40 1 63 A GLU 64 2 76.92 1 64 A LEU 65 2 87.07 1 65 A LEU 66 2 86.49 1 66 A ASN 67 2 78.25 1 67 A TYR 68 2 79.70 1 68 A TYR 69 2 86.15 1 69 A GLY 70 2 85.40 1 70 A LEU 71 2 86.89 1 71 A THR 72 2 86.65 1 72 A GLN 73 2 82.66 1 73 A TYR 74 2 84.88 1 74 A TYR 75 2 86.47 1 75 A LEU 76 2 87.62 1 76 A GLN 77 2 84.40 1 77 A LYS 78 2 82.71 1 78 A GLU 79 2 81.08 1 79 A VAL 80 2 86.72 1 80 A GLY 81 2 90.90 1 81 A LEU 82 2 88.91 1 82 A SER 83 2 89.32 1 83 A GLN 84 2 81.22 1 84 A SER 85 2 86.03 1 85 A THR 86 2 86.73 1 86 A VAL 87 2 86.12 1 87 A SER 88 2 82.05 1 88 A LYS 89 2 78.15 1 89 A LEU 90 2 82.08 1 90 A ILE 91 2 80.01 1 91 A SER 92 2 71.81 1 92 A ASP 93 2 68.67 1 93 A ASN 94 2 66.32 1 94 A ARG 95 2 65.08 1 95 A PRO 96 2 77.75 1 96 A ILE 97 2 78.26 1 97 A GLY 98 2 82.67 1 98 A SER 99 2 83.43 1 99 A PHE 100 2 83.52 1 100 A GLN 101 2 82.88 1 101 A PHE 102 2 88.90 1 102 A ALA 103 2 92.34 1 103 A VAL 104 2 90.07 1 104 A LEU 105 2 90.93 1 105 A LEU 106 2 89.97 1 106 A LYS 107 2 88.07 1 107 A ILE 108 2 91.53 1 108 A ALA 109 2 93.75 1 109 A GLU 110 2 86.27 1 110 A ALA 111 2 91.54 1 111 A THR 112 2 90.05 1 112 A ASN 113 2 84.59 1 113 A ARG 114 2 83.68 1 114 A SER 115 2 94.10 1 115 A VAL 116 2 92.55 1 116 A GLY 117 2 93.65 1 117 A GLU 118 2 87.29 1 118 A VAL 119 2 92.41 1 119 A ALA 120 2 91.89 1 120 A ASP 121 2 88.64 1 121 A GLN 122 2 85.44 1 122 A LEU 123 2 88.97 1 123 A LYS 124 2 80.68 1 124 A GLU 125 2 78.31 1 125 A PHE 126 2 82.19 1 126 A ASN 127 2 80.78 1 127 A ASP 128 2 81.13 1 128 A LEU 129 2 75.93 1 129 A ARG 130 2 68.48 1 130 A ASP 131 2 73.23 1 131 A ALA 132 2 71.02 1 132 # _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 ASN . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n GLU . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LYS . 11 A 11 A 12 1 n PRO . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n ASP . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n LYS . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n THR . 28 A 28 A 29 1 n ALA . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n LEU . 31 A 31 A 32 1 n THR . 32 A 32 A 33 1 n GLY . 33 A 33 A 34 1 n MET . 34 A 34 A 35 1 n LYS . 35 A 35 A 36 1 n PRO . 36 A 36 A 37 1 n ILE . 37 A 37 A 38 1 n GLY . 38 A 38 A 39 1 n ARG . 39 A 39 A 40 1 n ILE . 40 A 40 A 41 1 n ASP . 41 A 41 A 42 1 n THR . 42 A 42 A 43 1 n GLN . 43 A 43 A 44 1 n ARG . 44 A 44 A 45 1 n PHE . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n GLU . 47 A 47 A 48 1 n SER . 48 A 48 A 49 1 n HIS . 49 A 49 A 50 1 n ARG . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n SER . 52 A 52 A 53 1 n GLU . 53 A 53 A 54 1 n PHE . 54 A 54 A 55 1 n LYS . 55 A 55 A 56 1 n ILE . 56 A 56 A 57 1 n LEU . 57 A 57 A 58 1 n LEU . 58 A 58 A 59 1 n ASP . 59 A 59 A 60 1 n ASN . 60 A 60 A 61 1 n PRO . 61 A 61 A 62 1 n LEU . 62 A 62 A 63 1 n LYS . 63 A 63 A 64 1 n GLU . 64 A 64 A 65 1 n LEU . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n ASN . 67 A 67 A 68 1 n TYR . 68 A 68 A 69 1 n TYR . 69 A 69 A 70 1 n GLY . 70 A 70 A 71 1 n LEU . 71 A 71 A 72 1 n THR . 72 A 72 A 73 1 n GLN . 73 A 73 A 74 1 n TYR . 74 A 74 A 75 1 n TYR . 75 A 75 A 76 1 n LEU . 76 A 76 A 77 1 n GLN . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n VAL . 80 A 80 A 81 1 n GLY . 81 A 81 A 82 1 n LEU . 82 A 82 A 83 1 n SER . 83 A 83 A 84 1 n GLN . 84 A 84 A 85 1 n SER . 85 A 85 A 86 1 n THR . 86 A 86 A 87 1 n VAL . 87 A 87 A 88 1 n SER . 88 A 88 A 89 1 n LYS . 89 A 89 A 90 1 n LEU . 90 A 90 A 91 1 n ILE . 91 A 91 A 92 1 n SER . 92 A 92 A 93 1 n ASP . 93 A 93 A 94 1 n ASN . 94 A 94 A 95 1 n ARG . 95 A 95 A 96 1 n PRO . 96 A 96 A 97 1 n ILE . 97 A 97 A 98 1 n GLY . 98 A 98 A 99 1 n SER . 99 A 99 A 100 1 n PHE . 100 A 100 A 101 1 n GLN . 101 A 101 A 102 1 n PHE . 102 A 102 A 103 1 n ALA . 103 A 103 A 104 1 n VAL . 104 A 104 A 105 1 n LEU . 105 A 105 A 106 1 n LEU . 106 A 106 A 107 1 n LYS . 107 A 107 A 108 1 n ILE . 108 A 108 A 109 1 n ALA . 109 A 109 A 110 1 n GLU . 110 A 110 A 111 1 n ALA . 111 A 111 A 112 1 n THR . 112 A 112 A 113 1 n ASN . 113 A 113 A 114 1 n ARG . 114 A 114 A 115 1 n SER . 115 A 115 A 116 1 n VAL . 116 A 116 A 117 1 n GLY . 117 A 117 A 118 1 n GLU . 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 GLN . 122 A 122 A 123 1 n LEU . 123 A 123 A 124 1 n LYS . 124 A 124 A 125 1 n GLU . 125 A 125 A 126 1 n PHE . 126 A 126 A 127 1 n ASN . 127 A 127 A 128 1 n ASP . 128 A 128 A 129 1 n LEU . 129 A 129 A 130 1 n ARG . 130 A 130 A 131 1 n ASP . 131 A 131 A 132 1 n ALA . 132 A 132 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 20.390 -1.033 2.656 1.00 28.06 1 A 1 ATOM 2 C CA . MET A 1 1 ? 19.346 -0.181 2.067 1.00 34.74 1 A 1 ATOM 3 C C . MET A 1 1 ? 19.876 0.332 0.738 1.00 35.97 1 A 1 ATOM 4 O O . MET A 1 1 ? 20.679 1.250 0.752 1.00 33.86 1 A 1 ATOM 5 C CB . MET A 1 1 ? 18.991 0.999 2.994 1.00 34.12 1 A 1 ATOM 6 C CG . MET A 1 1 ? 17.609 0.879 3.626 1.00 30.84 1 A 1 ATOM 7 S SD . MET A 1 1 ? 17.236 2.244 4.752 1.00 28.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? 15.659 1.680 5.443 1.00 26.04 1 A 1 ATOM 9 N N . ASN A 1 2 ? 19.511 -0.299 -0.358 1.00 33.11 2 A 1 ATOM 10 C CA . ASN A 1 2 ? 19.866 0.186 -1.693 1.00 37.76 2 A 1 ATOM 11 C C . ASN A 1 2 ? 18.656 0.923 -2.265 1.00 37.05 2 A 1 ATOM 12 O O . ASN A 1 2 ? 17.660 0.309 -2.641 1.00 36.40 2 A 1 ATOM 13 C CB . ASN A 1 2 ? 20.366 -0.972 -2.574 1.00 37.59 2 A 1 ATOM 14 C CG . ASN A 1 2 ? 21.788 -1.381 -2.243 1.00 33.40 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? 22.564 -0.618 -1.695 1.00 30.41 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? 22.169 -2.595 -2.551 1.00 28.94 2 A 1 ATOM 17 N N . VAL A 1 3 ? 18.743 2.249 -2.275 1.00 36.10 3 A 1 ATOM 18 C CA . VAL A 1 3 ? 17.803 3.122 -2.980 1.00 39.49 3 A 1 ATOM 19 C C . VAL A 1 3 ? 18.186 3.063 -4.454 1.00 39.49 3 A 1 ATOM 20 O O . VAL A 1 3 ? 19.256 3.531 -4.831 1.00 38.68 3 A 1 ATOM 21 C CB . VAL A 1 3 ? 17.876 4.561 -2.430 1.00 38.14 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? 16.914 5.500 -3.167 1.00 33.42 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? 17.523 4.604 -0.936 1.00 34.84 3 A 1 ATOM 24 N N . ILE A 1 4 ? 17.354 2.453 -5.289 1.00 39.40 4 A 1 ATOM 25 C CA . ILE A 1 4 ? 17.517 2.566 -6.737 1.00 43.05 4 A 1 ATOM 26 C C . ILE A 1 4 ? 16.896 3.903 -7.140 1.00 42.75 4 A 1 ATOM 27 O O . ILE A 1 4 ? 15.682 4.021 -7.297 1.00 41.38 4 A 1 ATOM 28 C CB . ILE A 1 4 ? 16.936 1.345 -7.489 1.00 41.93 4 A 1 ATOM 29 C CG1 . ILE A 1 4 ? 17.606 0.038 -6.999 1.00 38.14 4 A 1 ATOM 30 C CG2 . ILE A 1 4 ? 17.144 1.528 -9.008 1.00 38.86 4 A 1 ATOM 31 C CD1 . ILE A 1 4 ? 17.063 -1.244 -7.642 1.00 36.82 4 A 1 ATOM 32 N N . GLU A 1 5 ? 17.741 4.927 -7.250 1.00 33.16 5 A 1 ATOM 33 C CA . GLU A 1 5 ? 17.382 6.190 -7.894 1.00 37.96 5 A 1 ATOM 34 C C . GLU A 1 5 ? 17.221 5.960 -9.401 1.00 37.45 5 A 1 ATOM 35 O O . GLU A 1 5 ? 18.192 5.772 -10.136 1.00 37.65 5 A 1 ATOM 36 C CB . GLU A 1 5 ? 18.442 7.268 -7.614 1.00 38.92 5 A 1 ATOM 37 C CG . GLU A 1 5 ? 18.299 7.866 -6.208 1.00 34.96 5 A 1 ATOM 38 C CD . GLU A 1 5 ? 19.344 8.946 -5.892 1.00 33.45 5 A 1 ATOM 39 O OE1 . GLU A 1 5 ? 19.089 9.717 -4.933 1.00 31.76 5 A 1 ATOM 40 O OE2 . GLU A 1 5 ? 20.412 8.950 -6.541 1.00 34.33 5 A 1 ATOM 41 N N . ALA A 1 6 ? 15.988 5.975 -9.869 1.00 41.09 6 A 1 ATOM 42 C CA . ALA A 1 6 ? 15.688 6.074 -11.289 1.00 42.96 6 A 1 ATOM 43 C C . ALA A 1 6 ? 15.735 7.546 -11.739 1.00 42.25 6 A 1 ATOM 44 O O . ALA A 1 6 ? 14.745 8.114 -12.181 1.00 41.97 6 A 1 ATOM 45 C CB . ALA A 1 6 ? 14.360 5.368 -11.577 1.00 42.04 6 A 1 ATOM 46 N N . GLU A 1 7 ? 16.904 8.190 -11.600 1.00 35.61 7 A 1 ATOM 47 C CA . GLU A 1 7 ? 17.189 9.465 -12.258 1.00 38.84 7 A 1 ATOM 48 C C . GLU A 1 7 ? 18.029 9.213 -13.509 1.00 37.71 7 A 1 ATOM 49 O O . GLU A 1 7 ? 19.254 9.159 -13.464 1.00 37.65 7 A 1 ATOM 50 C CB . GLU A 1 7 ? 17.871 10.476 -11.323 1.00 39.62 7 A 1 ATOM 51 C CG . GLU A 1 7 ? 16.887 11.184 -10.386 1.00 36.31 7 A 1 ATOM 52 C CD . GLU A 1 7 ? 17.492 12.444 -9.742 1.00 34.75 7 A 1 ATOM 53 O OE1 . GLU A 1 7 ? 16.689 13.265 -9.242 1.00 33.07 7 A 1 ATOM 54 O OE2 . GLU A 1 7 ? 18.729 12.617 -9.818 1.00 34.96 7 A 1 ATOM 55 N N . LYS A 1 8 ? 17.357 9.038 -14.632 1.00 35.42 8 A 1 ATOM 56 C CA . LYS A 1 8 ? 17.726 9.578 -15.960 1.00 39.08 8 A 1 ATOM 57 C C . LYS A 1 8 ? 16.804 8.959 -17.009 1.00 37.47 8 A 1 ATOM 58 O O . LYS A 1 8 ? 16.614 7.751 -17.021 1.00 36.19 8 A 1 ATOM 59 C CB . LYS A 1 8 ? 19.213 9.325 -16.321 1.00 38.87 8 A 1 ATOM 60 C CG . LYS A 1 8 ? 20.085 10.536 -15.922 1.00 35.63 8 A 1 ATOM 61 C CD . LYS A 1 8 ? 21.565 10.165 -15.789 1.00 34.00 8 A 1 ATOM 62 C CE . LYS A 1 8 ? 22.345 11.380 -15.269 1.00 31.17 8 A 1 ATOM 63 N NZ . LYS A 1 8 ? 23.775 11.056 -15.037 1.00 28.40 8 A 1 ATOM 64 N N . PHE A 1 9 ? 16.320 9.805 -17.911 1.00 34.79 9 A 1 ATOM 65 C CA . PHE A 1 9 ? 15.446 9.546 -19.066 1.00 35.92 9 A 1 ATOM 66 C C . PHE A 1 9 ? 13.962 9.885 -18.908 1.00 34.47 9 A 1 ATOM 67 O O . PHE A 1 9 ? 13.112 9.098 -19.302 1.00 33.15 9 A 1 ATOM 68 C CB . PHE A 1 9 ? 15.677 8.173 -19.736 1.00 34.53 9 A 1 ATOM 69 C CG . PHE A 1 9 ? 17.111 7.907 -20.148 1.00 33.06 9 A 1 ATOM 70 C CD1 . PHE A 1 9 ? 17.672 8.618 -21.227 1.00 30.84 9 A 1 ATOM 71 C CD2 . PHE A 1 9 ? 17.891 6.972 -19.445 1.00 31.32 9 A 1 ATOM 72 C CE1 . PHE A 1 9 ? 19.005 8.398 -21.595 1.00 29.42 9 A 1 ATOM 73 C CE2 . PHE A 1 9 ? 19.228 6.752 -19.818 1.00 29.84 9 A 1 ATOM 74 C CZ . PHE A 1 9 ? 19.785 7.465 -20.890 1.00 29.51 9 A 1 ATOM 75 N N . LEU A 1 10 ? 13.648 11.121 -18.504 1.00 34.65 10 A 1 ATOM 76 C CA . LEU A 1 10 ? 12.418 11.761 -18.989 1.00 36.64 10 A 1 ATOM 77 C C . LEU A 1 10 ? 12.683 13.246 -19.290 1.00 35.40 10 A 1 ATOM 78 O O . LEU A 1 10 ? 13.006 14.033 -18.410 1.00 33.82 10 A 1 ATOM 79 C CB . LEU A 1 10 ? 11.240 11.537 -18.015 1.00 35.99 10 A 1 ATOM 80 C CG . LEU A 1 10 ? 10.591 10.130 -18.099 1.00 33.59 10 A 1 ATOM 81 C CD1 . LEU A 1 10 ? 9.590 9.937 -16.967 1.00 30.96 10 A 1 ATOM 82 C CD2 . LEU A 1 10 ? 9.847 9.900 -19.418 1.00 32.99 10 A 1 ATOM 83 N N . LYS A 1 11 ? 12.610 13.618 -20.579 1.00 32.78 11 A 1 ATOM 84 C CA . LYS A 1 11 ? 12.508 15.026 -20.992 1.00 36.53 11 A 1 ATOM 85 C C . LYS A 1 11 ? 11.180 15.612 -20.483 1.00 34.66 11 A 1 ATOM 86 O O . LYS A 1 11 ? 10.200 14.872 -20.391 1.00 32.96 11 A 1 ATOM 87 C CB . LYS A 1 11 ? 12.609 15.157 -22.524 1.00 36.04 11 A 1 ATOM 88 C CG . LYS A 1 11 ? 14.053 15.047 -23.039 1.00 32.57 11 A 1 ATOM 89 C CD . LYS A 1 11 ? 14.097 15.232 -24.564 1.00 30.89 11 A 1 ATOM 90 C CE . LYS A 1 11 ? 15.541 15.186 -25.075 1.00 28.33 11 A 1 ATOM 91 N NZ . LYS A 1 11 ? 15.610 15.311 -26.559 1.00 25.72 11 A 1 ATOM 92 N N . PRO A 1 12 ? 11.124 16.922 -20.171 1.00 33.47 12 A 1 ATOM 93 C CA . PRO A 1 12 ? 9.998 17.503 -19.455 1.00 35.69 12 A 1 ATOM 94 C C . PRO A 1 12 ? 8.799 17.654 -20.390 1.00 36.12 12 A 1 ATOM 95 O O . PRO A 1 12 ? 8.862 18.435 -21.332 1.00 34.16 12 A 1 ATOM 96 C CB . PRO A 1 12 ? 10.516 18.852 -18.939 1.00 32.59 12 A 1 ATOM 97 C CG . PRO A 1 12 ? 11.536 19.274 -20.001 1.00 31.52 12 A 1 ATOM 98 C CD . PRO A 1 12 ? 12.107 17.941 -20.487 1.00 34.80 12 A 1 ATOM 99 N N . LYS A 1 13 ? 7.733 16.899 -20.113 1.00 33.13 13 A 1 ATOM 100 C CA . LYS A 1 13 ? 6.320 17.227 -20.386 1.00 37.14 13 A 1 ATOM 101 C C . LYS A 1 13 ? 5.457 15.971 -20.200 1.00 35.79 13 A 1 ATOM 102 O O . LYS A 1 13 ? 5.062 15.346 -21.174 1.00 33.46 13 A 1 ATOM 103 C CB . LYS A 1 13 ? 6.086 17.811 -21.803 1.00 35.49 13 A 1 ATOM 104 C CG . LYS A 1 13 ? 6.101 19.353 -21.822 1.00 32.58 13 A 1 ATOM 105 C CD . LYS A 1 13 ? 6.220 19.865 -23.258 1.00 30.99 13 A 1 ATOM 106 C CE . LYS A 1 13 ? 6.405 21.383 -23.250 1.00 28.15 13 A 1 ATOM 107 N NZ . LYS A 1 13 ? 6.323 21.947 -24.618 1.00 26.01 13 A 1 ATOM 108 N N . THR A 1 14 ? 5.188 15.621 -18.958 1.00 32.89 14 A 1 ATOM 109 C CA . THR A 1 14 ? 3.988 14.899 -18.486 1.00 35.95 14 A 1 ATOM 110 C C . THR A 1 14 ? 4.154 14.736 -16.980 1.00 37.05 14 A 1 ATOM 111 O O . THR A 1 14 ? 5.249 14.391 -16.536 1.00 34.06 14 A 1 ATOM 112 C CB . THR A 1 14 ? 3.764 13.496 -19.098 1.00 33.15 14 A 1 ATOM 113 O OG1 . THR A 1 14 ? 4.964 12.863 -19.450 1.00 28.96 14 A 1 ATOM 114 C CG2 . THR A 1 14 ? 2.862 13.527 -20.340 1.00 28.82 14 A 1 ATOM 115 N N . ASN A 1 15 ? 3.106 15.019 -16.198 1.00 31.52 15 A 1 ATOM 116 C CA . ASN A 1 15 ? 3.078 14.819 -14.748 1.00 35.31 15 A 1 ATOM 117 C C . ASN A 1 15 ? 3.495 13.379 -14.441 1.00 35.70 15 A 1 ATOM 118 O O . ASN A 1 15 ? 2.740 12.443 -14.696 1.00 34.00 15 A 1 ATOM 119 C CB . ASN A 1 15 ? 1.660 15.106 -14.223 1.00 33.84 15 A 1 ATOM 120 C CG . ASN A 1 15 ? 1.278 16.577 -14.266 1.00 29.70 15 A 1 ATOM 121 O OD1 . ASN A 1 15 ? 2.106 17.465 -14.394 1.00 27.62 15 A 1 ATOM 122 N ND2 . ASN A 1 15 ? 0.008 16.883 -14.179 1.00 26.39 15 A 1 ATOM 123 N N . THR A 1 16 ? 4.735 13.209 -13.983 1.00 34.70 16 A 1 ATOM 124 C CA . THR A 1 16 ? 5.308 11.888 -13.725 1.00 37.25 16 A 1 ATOM 125 C C . THR A 1 16 ? 5.182 11.623 -12.234 1.00 38.18 16 A 1 ATOM 126 O O . THR A 1 16 ? 6.017 12.065 -11.449 1.00 36.74 16 A 1 ATOM 127 C CB . THR A 1 16 ? 6.762 11.792 -14.212 1.00 36.16 16 A 1 ATOM 128 O OG1 . THR A 1 16 ? 6.878 12.268 -15.534 1.00 32.11 16 A 1 ATOM 129 C CG2 . THR A 1 16 ? 7.258 10.350 -14.221 1.00 32.11 16 A 1 ATOM 130 N N . THR A 1 17 ? 4.130 10.918 -11.834 1.00 35.80 17 A 1 ATOM 131 C CA . THR A 1 17 ? 4.009 10.388 -10.474 1.00 38.32 17 A 1 ATOM 132 C C . THR A 1 17 ? 5.044 9.277 -10.311 1.00 39.42 17 A 1 ATOM 133 O O . THR A 1 17 ? 4.962 8.228 -10.944 1.00 38.08 17 A 1 ATOM 134 C CB . THR A 1 17 ? 2.588 9.879 -10.193 1.00 36.73 17 A 1 ATOM 135 O OG1 . THR A 1 17 ? 1.653 10.877 -10.534 1.00 32.93 17 A 1 ATOM 136 C CG2 . THR A 1 17 ? 2.380 9.559 -8.715 1.00 32.16 17 A 1 ATOM 137 N N . THR A 1 18 ? 6.076 9.539 -9.505 1.00 34.36 18 A 1 ATOM 138 C CA . THR A 1 18 ? 7.135 8.568 -9.220 1.00 36.17 18 A 1 ATOM 139 C C . THR A 1 18 ? 6.663 7.628 -8.115 1.00 37.03 18 A 1 ATOM 140 O O . THR A 1 18 ? 6.591 8.021 -6.954 1.00 36.22 18 A 1 ATOM 141 C CB . THR A 1 18 ? 8.441 9.272 -8.820 1.00 35.41 18 A 1 ATOM 142 O OG1 . THR A 1 18 ? 8.807 10.213 -9.799 1.00 31.56 18 A 1 ATOM 143 C CG2 . THR A 1 18 ? 9.611 8.298 -8.687 1.00 31.75 18 A 1 ATOM 144 N N . PHE A 1 19 ? 6.367 6.381 -8.453 1.00 32.82 19 A 1 ATOM 145 C CA . PHE A 1 19 ? 6.036 5.348 -7.472 1.00 33.65 19 A 1 ATOM 146 C C . PHE A 1 19 ? 7.320 4.727 -6.912 1.00 33.86 19 A 1 ATOM 147 O O . PHE A 1 19 ? 8.113 4.146 -7.647 1.00 33.37 19 A 1 ATOM 148 C CB . PHE A 1 19 ? 5.115 4.295 -8.103 1.00 32.92 19 A 1 ATOM 149 C CG . PHE A 1 19 ? 3.745 4.835 -8.478 1.00 31.01 19 A 1 ATOM 150 C CD1 . PHE A 1 19 ? 2.713 4.869 -7.522 1.00 28.42 19 A 1 ATOM 151 C CD2 . PHE A 1 19 ? 3.505 5.322 -9.780 1.00 28.78 19 A 1 ATOM 152 C CE1 . PHE A 1 19 ? 1.448 5.383 -7.861 1.00 27.51 19 A 1 ATOM 153 C CE2 . PHE A 1 19 ? 2.240 5.841 -10.117 1.00 27.24 19 A 1 ATOM 154 C CZ . PHE A 1 19 ? 1.211 5.871 -9.158 1.00 26.92 19 A 1 ATOM 155 N N . LYS A 1 20 ? 7.533 4.840 -5.589 1.00 31.53 20 A 1 ATOM 156 C CA . LYS A 1 20 ? 8.583 4.110 -4.870 1.00 33.07 20 A 1 ATOM 157 C C . LYS A 1 20 ? 8.006 2.796 -4.352 1.00 32.82 20 A 1 ATOM 158 O O . LYS A 1 20 ? 7.188 2.799 -3.437 1.00 31.91 20 A 1 ATOM 159 C CB . LYS A 1 20 ? 9.161 4.949 -3.717 1.00 32.20 20 A 1 ATOM 160 C CG . LYS A 1 20 ? 10.223 5.950 -4.200 1.00 29.44 20 A 1 ATOM 161 C CD . LYS A 1 20 ? 10.819 6.712 -3.006 1.00 28.02 20 A 1 ATOM 162 C CE . LYS A 1 20 ? 11.930 7.657 -3.480 1.00 25.71 20 A 1 ATOM 163 N NZ . LYS A 1 20 ? 12.494 8.453 -2.361 1.00 24.00 20 A 1 ATOM 164 N N . PHE A 1 21 ? 8.482 1.682 -4.888 1.00 34.15 21 A 1 ATOM 165 C CA . PHE A 1 21 ? 8.198 0.357 -4.344 1.00 35.90 21 A 1 ATOM 166 C C . PHE A 1 21 ? 9.336 -0.048 -3.406 1.00 35.39 21 A 1 ATOM 167 O O . PHE A 1 21 ? 10.487 -0.162 -3.824 1.00 34.13 21 A 1 ATOM 168 C CB . PHE A 1 21 ? 7.983 -0.654 -5.477 1.00 34.70 21 A 1 ATOM 169 C CG . PHE A 1 21 ? 6.744 -0.370 -6.310 1.00 32.52 21 A 1 ATOM 170 C CD1 . PHE A 1 21 ? 5.487 -0.845 -5.892 1.00 29.71 21 A 1 ATOM 171 C CD2 . PHE A 1 21 ? 6.845 0.386 -7.495 1.00 30.55 21 A 1 ATOM 172 C CE1 . PHE A 1 21 ? 4.337 -0.570 -6.654 1.00 28.42 21 A 1 ATOM 173 C CE2 . PHE A 1 21 ? 5.692 0.666 -8.256 1.00 28.48 21 A 1 ATOM 174 C CZ . PHE A 1 21 ? 4.437 0.186 -7.837 1.00 27.55 21 A 1 ATOM 175 N N . LEU A 1 22 ? 9.022 -0.266 -2.129 1.00 35.27 22 A 1 ATOM 176 C CA . LEU A 1 22 ? 9.943 -0.867 -1.171 1.00 36.27 22 A 1 ATOM 177 C C . LEU A 1 22 ? 9.829 -2.389 -1.295 1.00 35.55 22 A 1 ATOM 178 O O . LEU A 1 22 ? 8.876 -2.990 -0.808 1.00 34.00 22 A 1 ATOM 179 C CB . LEU A 1 22 ? 9.628 -0.364 0.251 1.00 34.34 22 A 1 ATOM 180 C CG . LEU A 1 22 ? 9.987 1.114 0.486 1.00 31.46 22 A 1 ATOM 181 C CD1 . LEU A 1 22 ? 9.410 1.583 1.821 1.00 29.20 22 A 1 ATOM 182 C CD2 . LEU A 1 22 ? 11.501 1.342 0.525 1.00 30.58 22 A 1 ATOM 183 N N . VAL A 1 23 ? 10.795 -3.008 -1.962 1.00 36.95 23 A 1 ATOM 184 C CA . VAL A 1 23 ? 10.932 -4.470 -1.972 1.00 38.09 23 A 1 ATOM 185 C C . VAL A 1 23 ? 11.870 -4.847 -0.834 1.00 37.98 23 A 1 ATOM 186 O O . VAL A 1 23 ? 13.045 -4.486 -0.844 1.00 36.59 23 A 1 ATOM 187 C CB . VAL A 1 23 ? 11.415 -4.999 -3.336 1.00 36.81 23 A 1 ATOM 188 C CG1 . VAL A 1 23 ? 11.471 -6.533 -3.337 1.00 32.99 23 A 1 ATOM 189 C CG2 . VAL A 1 23 ? 10.468 -4.563 -4.465 1.00 33.27 23 A 1 ATOM 190 N N . ASP A 1 24 ? 11.351 -5.535 0.182 1.00 37.83 24 A 1 ATOM 191 C CA . ASP A 1 24 ? 12.154 -6.026 1.299 1.00 40.31 24 A 1 ATOM 192 C C . ASP A 1 24 ? 12.983 -7.241 0.837 1.00 39.57 24 A 1 ATOM 193 O O . ASP A 1 24 ? 12.449 -8.330 0.603 1.00 38.50 24 A 1 ATOM 194 C CB . ASP A 1 24 ? 11.244 -6.318 2.512 1.00 39.42 24 A 1 ATOM 195 C CG . ASP A 1 24 ? 12.016 -6.491 3.830 1.00 35.10 24 A 1 ATOM 196 O OD1 . ASP A 1 24 ? 13.258 -6.683 3.774 1.00 32.41 24 A 1 ATOM 197 O OD2 . ASP A 1 24 ? 11.374 -6.441 4.902 1.00 31.85 24 A 1 ATOM 198 N N . GLU A 1 25 ? 14.306 -7.052 0.708 1.00 38.93 25 A 1 ATOM 199 C CA . GLU A 1 25 ? 15.257 -8.098 0.283 1.00 41.43 25 A 1 ATOM 200 C C . GLU A 1 25 ? 15.233 -9.335 1.200 1.00 41.65 25 A 1 ATOM 201 O O . GLU A 1 25 ? 15.609 -10.431 0.775 1.00 40.29 25 A 1 ATOM 202 C CB . GLU A 1 25 ? 16.689 -7.523 0.225 1.00 40.60 25 A 1 ATOM 203 C CG . GLU A 1 25 ? 17.019 -6.820 -1.104 1.00 36.02 25 A 1 ATOM 204 C CD . GLU A 1 25 ? 18.466 -6.280 -1.173 1.00 34.06 25 A 1 ATOM 205 O OE1 . GLU A 1 25 ? 18.961 -6.073 -2.305 1.00 32.15 25 A 1 ATOM 206 O OE2 . GLU A 1 25 ? 19.064 -6.034 -0.102 1.00 34.00 25 A 1 ATOM 207 N N . LYS A 1 26 ? 14.743 -9.209 2.444 1.00 38.42 26 A 1 ATOM 208 C CA . LYS A 1 26 ? 14.629 -10.352 3.369 1.00 41.17 26 A 1 ATOM 209 C C . LYS A 1 26 ? 13.526 -11.342 2.987 1.00 40.73 26 A 1 ATOM 210 O O . LYS A 1 26 ? 13.606 -12.508 3.377 1.00 39.42 26 A 1 ATOM 211 C CB . LYS A 1 26 ? 14.432 -9.853 4.804 1.00 40.47 26 A 1 ATOM 212 C CG . LYS A 1 26 ? 15.721 -9.226 5.362 1.00 36.14 26 A 1 ATOM 213 C CD . LYS A 1 26 ? 15.510 -8.822 6.821 1.00 34.66 26 A 1 ATOM 214 C CE . LYS A 1 26 ? 16.808 -8.266 7.405 1.00 32.15 26 A 1 ATOM 215 N NZ . LYS A 1 26 ? 16.611 -7.849 8.816 1.00 30.08 26 A 1 ATOM 216 N N . LEU A 1 27 ? 12.527 -10.927 2.210 1.00 39.08 27 A 1 ATOM 217 C CA . LEU A 1 27 ? 11.463 -11.825 1.738 1.00 40.71 27 A 1 ATOM 218 C C . LEU A 1 27 ? 11.929 -12.768 0.618 1.00 40.41 27 A 1 ATOM 219 O O . LEU A 1 27 ? 11.371 -13.852 0.457 1.00 39.64 27 A 1 ATOM 220 C CB . LEU A 1 27 ? 10.234 -10.991 1.321 1.00 39.76 27 A 1 ATOM 221 C CG . LEU A 1 27 ? 9.018 -11.229 2.243 1.00 36.11 27 A 1 ATOM 222 C CD1 . LEU A 1 27 ? 8.539 -9.922 2.872 1.00 32.70 27 A 1 ATOM 223 C CD2 . LEU A 1 27 ? 7.854 -11.860 1.482 1.00 34.09 27 A 1 ATOM 224 N N . THR A 1 28 ? 12.980 -12.395 -0.124 1.00 37.90 28 A 1 ATOM 225 C CA . THR A 1 28 ? 13.504 -13.218 -1.228 1.00 39.59 28 A 1 ATOM 226 C C . THR A 1 28 ? 14.451 -14.332 -0.776 1.00 39.05 28 A 1 ATOM 227 O O . THR A 1 28 ? 14.674 -15.280 -1.528 1.00 37.89 28 A 1 ATOM 228 C CB . THR A 1 28 ? 14.168 -12.345 -2.303 1.00 38.76 28 A 1 ATOM 229 O OG1 . THR A 1 28 ? 15.119 -11.477 -1.748 1.00 35.51 28 A 1 ATOM 230 C CG2 . THR A 1 28 ? 13.138 -11.468 -3.025 1.00 35.04 28 A 1 ATOM 231 N N . ALA A 1 29 ? 14.980 -14.271 0.451 1.00 38.00 29 A 1 ATOM 232 C CA . ALA A 1 29 ? 15.997 -15.212 0.934 1.00 39.42 29 A 1 ATOM 233 C C . ALA A 1 29 ? 15.446 -16.560 1.453 1.00 39.17 29 A 1 ATOM 234 O O . ALA A 1 29 ? 16.203 -17.523 1.545 1.00 37.82 29 A 1 ATOM 235 C CB . ALA A 1 29 ? 16.846 -14.489 1.983 1.00 37.95 29 A 1 ATOM 236 N N . ASN A 1 30 ? 14.157 -16.660 1.773 1.00 39.05 30 A 1 ATOM 237 C CA . ASN A 1 30 ? 13.557 -17.863 2.386 1.00 40.60 30 A 1 ATOM 238 C C . ASN A 1 30 ? 12.617 -18.665 1.468 1.00 39.18 30 A 1 ATOM 239 O O . ASN A 1 30 ? 12.008 -19.638 1.910 1.00 37.71 30 A 1 ATOM 240 C CB . ASN A 1 30 ? 12.917 -17.480 3.732 1.00 39.35 30 A 1 ATOM 241 C CG . ASN A 1 30 ? 13.929 -17.344 4.857 1.00 34.68 30 A 1 ATOM 242 O OD1 . ASN A 1 30 ? 14.986 -17.944 4.876 1.00 32.88 30 A 1 ATOM 243 N ND2 . ASN A 1 30 ? 13.620 -16.569 5.871 1.00 31.33 30 A 1 ATOM 244 N N . LEU A 1 31 ? 12.517 -18.312 0.192 1.00 36.88 31 A 1 ATOM 245 C CA . LEU A 1 31 ? 11.758 -19.080 -0.798 1.00 38.33 31 A 1 ATOM 246 C C . LEU A 1 31 ? 12.697 -19.991 -1.597 1.00 37.48 31 A 1 ATOM 247 O O . LEU A 1 31 ? 12.963 -19.780 -2.781 1.00 35.80 31 A 1 ATOM 248 C CB . LEU A 1 31 ? 10.905 -18.133 -1.662 1.00 36.89 31 A 1 ATOM 249 C CG . LEU A 1 31 ? 9.751 -17.467 -0.886 1.00 34.27 31 A 1 ATOM 250 C CD1 . LEU A 1 31 ? 9.118 -16.378 -1.751 1.00 31.70 31 A 1 ATOM 251 C CD2 . LEU A 1 31 ? 8.651 -18.467 -0.507 1.00 33.27 31 A 1 ATOM 252 N N . THR A 1 32 ? 13.223 -21.019 -0.931 1.00 37.24 32 A 1 ATOM 253 C CA . THR A 1 32 ? 13.909 -22.125 -1.603 1.00 39.79 32 A 1 ATOM 254 C C . THR A 1 32 ? 12.947 -22.793 -2.592 1.00 40.22 32 A 1 ATOM 255 O O . THR A 1 32 ? 12.068 -23.558 -2.207 1.00 37.70 32 A 1 ATOM 256 C CB . THR A 1 32 ? 14.473 -23.158 -0.601 1.00 37.02 32 A 1 ATOM 257 O OG1 . THR A 1 32 ? 13.880 -23.050 0.672 1.00 33.11 32 A 1 ATOM 258 C CG2 . THR A 1 32 ? 15.974 -22.972 -0.398 1.00 32.73 32 A 1 ATOM 259 N N . GLY A 1 33 ? 13.106 -22.474 -3.872 1.00 43.04 33 A 1 ATOM 260 C CA . GLY A 1 33 ? 12.387 -23.114 -4.979 1.00 46.84 33 A 1 ATOM 261 C C . GLY A 1 33 ? 11.650 -22.189 -5.953 1.00 47.40 33 A 1 ATOM 262 O O . GLY A 1 33 ? 11.307 -22.634 -7.050 1.00 45.14 33 A 1 ATOM 263 N N . MET A 1 34 ? 11.449 -20.918 -5.625 1.00 40.31 34 A 1 ATOM 264 C CA . MET A 1 34 ? 10.931 -19.957 -6.607 1.00 41.70 34 A 1 ATOM 265 C C . MET A 1 34 ? 12.093 -19.334 -7.385 1.00 41.94 34 A 1 ATOM 266 O O . MET A 1 34 ? 12.961 -18.679 -6.817 1.00 40.54 34 A 1 ATOM 267 C CB . MET A 1 34 ? 10.025 -18.908 -5.952 1.00 40.81 34 A 1 ATOM 268 C CG . MET A 1 34 ? 8.595 -19.457 -5.815 1.00 37.60 34 A 1 ATOM 269 S SD . MET A 1 34 ? 7.425 -18.300 -5.062 1.00 35.44 34 A 1 ATOM 270 C CE . MET A 1 34 ? 5.857 -19.048 -5.586 1.00 34.30 34 A 1 ATOM 271 N N . LYS A 1 35 ? 12.118 -19.551 -8.704 1.00 38.25 35 A 1 ATOM 272 C CA . LYS A 1 35 ? 12.961 -18.742 -9.597 1.00 42.65 35 A 1 ATOM 273 C C . LYS A 1 35 ? 12.684 -17.270 -9.284 1.00 41.67 35 A 1 ATOM 274 O O . LYS A 1 35 ? 11.508 -16.930 -9.142 1.00 40.55 35 A 1 ATOM 275 C CB . LYS A 1 35 ? 12.647 -19.031 -11.075 1.00 42.38 35 A 1 ATOM 276 C CG . LYS A 1 35 ? 13.175 -20.400 -11.532 1.00 38.42 35 A 1 ATOM 277 C CD . LYS A 1 35 ? 12.874 -20.630 -13.020 1.00 36.40 35 A 1 ATOM 278 C CE . LYS A 1 35 ? 13.434 -21.984 -13.464 1.00 33.45 35 A 1 ATOM 279 N NZ . LYS A 1 35 ? 13.148 -22.258 -14.897 1.00 29.97 35 A 1 ATOM 280 N N . PRO A 1 36 ? 13.717 -16.407 -9.173 1.00 39.80 36 A 1 ATOM 281 C CA . PRO A 1 36 ? 13.481 -14.984 -9.024 1.00 41.59 36 A 1 ATOM 282 C C . PRO A 1 36 ? 12.554 -14.576 -10.164 1.00 41.84 36 A 1 ATOM 283 O O . PRO A 1 36 ? 12.877 -14.789 -11.335 1.00 41.05 36 A 1 ATOM 284 C CB . PRO A 1 36 ? 14.861 -14.313 -9.086 1.00 39.61 36 A 1 ATOM 285 C CG . PRO A 1 36 ? 15.737 -15.333 -9.818 1.00 38.08 36 A 1 ATOM 286 C CD . PRO A 1 36 ? 15.124 -16.678 -9.425 1.00 41.53 36 A 1 ATOM 287 N N . ILE A 1 37 ? 11.367 -14.092 -9.802 1.00 41.71 37 A 1 ATOM 288 C CA . ILE A 1 37 ? 10.483 -13.451 -10.775 1.00 43.23 37 A 1 ATOM 289 C C . ILE A 1 37 ? 11.350 -12.333 -11.334 1.00 42.91 37 A 1 ATOM 290 O O . ILE A 1 37 ? 11.750 -11.433 -10.596 1.00 41.11 37 A 1 ATOM 291 C CB . ILE A 1 37 ? 9.178 -12.960 -10.112 1.00 41.99 37 A 1 ATOM 292 C CG1 . ILE A 1 37 ? 8.402 -14.154 -9.494 1.00 39.10 37 A 1 ATOM 293 C CG2 . ILE A 1 37 ? 8.305 -12.224 -11.150 1.00 39.29 37 A 1 ATOM 294 C CD1 . ILE A 1 37 ? 7.172 -13.749 -8.663 1.00 38.20 37 A 1 ATOM 295 N N . GLY A 1 38 ? 11.814 -12.523 -12.567 1.00 42.35 38 A 1 ATOM 296 C CA . GLY A 1 38 ? 12.794 -11.645 -13.198 1.00 44.72 38 A 1 ATOM 297 C C . GLY A 1 38 ? 12.347 -10.203 -13.051 1.00 45.43 38 A 1 ATOM 298 O O . GLY A 1 38 ? 11.148 -9.961 -12.908 1.00 43.33 38 A 1 ATOM 299 N N . ARG A 1 39 ? 13.323 -9.276 -13.077 1.00 44.28 39 A 1 ATOM 300 C CA . ARG A 1 39 ? 13.087 -7.822 -13.101 1.00 46.48 39 A 1 ATOM 301 C C . ARG A 1 39 ? 11.723 -7.565 -13.725 1.00 46.09 39 A 1 ATOM 302 O O . ARG A 1 39 ? 11.558 -7.838 -14.915 1.00 44.99 39 A 1 ATOM 303 C CB . ARG A 1 39 ? 14.147 -7.122 -13.979 1.00 44.70 39 A 1 ATOM 304 C CG . ARG A 1 39 ? 15.472 -6.853 -13.259 1.00 40.46 39 A 1 ATOM 305 C CD . ARG A 1 39 ? 16.445 -6.181 -14.240 1.00 39.68 39 A 1 ATOM 306 N NE . ARG A 1 39 ? 17.667 -5.699 -13.558 1.00 36.92 39 A 1 ATOM 307 C CZ . ARG A 1 39 ? 18.747 -5.212 -14.144 1.00 33.80 39 A 1 ATOM 308 N NH1 . ARG A 1 39 ? 18.858 -5.152 -15.442 1.00 32.67 39 A 1 ATOM 309 N NH2 . ARG A 1 39 ? 19.746 -4.769 -13.428 1.00 31.80 39 A 1 ATOM 310 N N . ILE A 1 40 ? 10.758 -7.126 -12.894 1.00 43.34 40 A 1 ATOM 311 C CA . ILE A 1 40 ? 9.475 -6.667 -13.415 1.00 45.51 40 A 1 ATOM 312 C C . ILE A 1 40 ? 9.870 -5.581 -14.399 1.00 46.36 40 A 1 ATOM 313 O O . ILE A 1 40 ? 10.404 -4.545 -14.000 1.00 44.90 40 A 1 ATOM 314 C CB . ILE A 1 40 ? 8.545 -6.161 -12.291 1.00 43.84 40 A 1 ATOM 315 C CG1 . ILE A 1 40 ? 8.201 -7.318 -11.318 1.00 40.43 40 A 1 ATOM 316 C CG2 . ILE A 1 40 ? 7.254 -5.571 -12.899 1.00 40.24 40 A 1 ATOM 317 C CD1 . ILE A 1 40 ? 7.386 -6.893 -10.089 1.00 38.86 40 A 1 ATOM 318 N N . ASP A 1 41 ? 9.757 -5.891 -15.687 1.00 47.46 41 A 1 ATOM 319 C CA . ASP A 1 41 ? 9.960 -4.930 -16.748 1.00 50.71 41 A 1 ATOM 320 C C . ASP A 1 41 ? 8.775 -3.983 -16.614 1.00 50.85 41 A 1 ATOM 321 O O . ASP A 1 41 ? 7.694 -4.220 -17.149 1.00 49.91 41 A 1 ATOM 322 C CB . ASP A 1 41 ? 10.065 -5.657 -18.097 1.00 49.90 41 A 1 ATOM 323 C CG . ASP A 1 41 ? 10.416 -4.716 -19.249 1.00 44.84 41 A 1 ATOM 324 O OD1 . ASP A 1 41 ? 10.380 -3.483 -19.031 1.00 42.87 41 A 1 ATOM 325 O OD2 . ASP A 1 41 ? 10.711 -5.257 -20.343 1.00 41.76 41 A 1 ATOM 326 N N . THR A 1 42 ? 8.963 -2.986 -15.746 1.00 48.01 42 A 1 ATOM 327 C CA . THR A 1 42 ? 7.957 -1.987 -15.398 1.00 48.86 42 A 1 ATOM 328 C C . THR A 1 42 ? 7.411 -1.343 -16.656 1.00 50.36 42 A 1 ATOM 329 O O . THR A 1 42 ? 6.227 -1.049 -16.711 1.00 49.71 42 A 1 ATOM 330 C CB . THR A 1 42 ? 8.535 -0.910 -14.462 1.00 46.98 42 A 1 ATOM 331 O OG1 . THR A 1 42 ? 9.884 -0.631 -14.763 1.00 42.12 42 A 1 ATOM 332 C CG2 . THR A 1 42 ? 8.499 -1.358 -13.007 1.00 41.88 42 A 1 ATOM 333 N N . GLN A 1 43 ? 8.235 -1.224 -17.696 1.00 52.74 43 A 1 ATOM 334 C CA . GLN A 1 43 ? 7.830 -0.670 -18.976 1.00 54.20 43 A 1 ATOM 335 C C . GLN A 1 43 ? 6.873 -1.614 -19.717 1.00 54.62 43 A 1 ATOM 336 O O . GLN A 1 43 ? 5.791 -1.191 -20.112 1.00 54.22 43 A 1 ATOM 337 C CB . GLN A 1 43 ? 9.104 -0.325 -19.752 1.00 54.32 43 A 1 ATOM 338 C CG . GLN A 1 43 ? 8.838 0.690 -20.855 1.00 49.77 43 A 1 ATOM 339 C CD . GLN A 1 43 ? 10.098 1.425 -21.314 1.00 47.28 43 A 1 ATOM 340 O OE1 . GLN A 1 43 ? 11.180 1.347 -20.747 1.00 45.12 43 A 1 ATOM 341 N NE2 . GLN A 1 43 ? 9.987 2.208 -22.356 1.00 41.78 43 A 1 ATOM 342 N N . ARG A 1 44 ? 7.169 -2.915 -19.774 1.00 51.72 44 A 1 ATOM 343 C CA . ARG A 1 44 ? 6.265 -3.930 -20.347 1.00 53.33 44 A 1 ATOM 344 C C . ARG A 1 44 ? 4.992 -4.129 -19.526 1.00 52.96 44 A 1 ATOM 345 O O . ARG A 1 44 ? 3.926 -4.366 -20.085 1.00 52.14 44 A 1 ATOM 346 C CB . ARG A 1 44 ? 7.014 -5.260 -20.475 1.00 52.40 44 A 1 ATOM 347 C CG . ARG A 1 44 ? 7.155 -5.687 -21.930 1.00 48.15 44 A 1 ATOM 348 C CD . ARG A 1 44 ? 7.904 -7.012 -21.995 1.00 47.45 44 A 1 ATOM 349 N NE . ARG A 1 44 ? 7.981 -7.504 -23.379 1.00 44.03 44 A 1 ATOM 350 C CZ . ARG A 1 44 ? 8.631 -8.582 -23.773 1.00 40.03 44 A 1 ATOM 351 N NH1 . ARG A 1 44 ? 9.305 -9.325 -22.939 1.00 38.63 44 A 1 ATOM 352 N NH2 . ARG A 1 44 ? 8.611 -8.936 -25.028 1.00 37.20 44 A 1 ATOM 353 N N . PHE A 1 45 ? 5.090 -4.027 -18.203 1.00 44.80 45 A 1 ATOM 354 C CA . PHE A 1 45 ? 3.944 -4.103 -17.299 1.00 46.14 45 A 1 ATOM 355 C C . PHE A 1 45 ? 3.016 -2.886 -17.461 1.00 45.38 45 A 1 ATOM 356 O O . PHE A 1 45 ? 1.806 -3.052 -17.560 1.00 45.69 45 A 1 ATOM 357 C CB . PHE A 1 45 ? 4.456 -4.270 -15.865 1.00 45.37 45 A 1 ATOM 358 C CG . PHE A 1 45 ? 3.365 -4.568 -14.856 1.00 42.65 45 A 1 ATOM 359 C CD1 . PHE A 1 45 ? 2.858 -3.547 -14.034 1.00 39.94 45 A 1 ATOM 360 C CD2 . PHE A 1 45 ? 2.850 -5.872 -14.740 1.00 40.58 45 A 1 ATOM 361 C CE1 . PHE A 1 45 ? 1.844 -3.828 -13.100 1.00 37.40 45 A 1 ATOM 362 C CE2 . PHE A 1 45 ? 1.833 -6.153 -13.807 1.00 38.10 45 A 1 ATOM 363 C CZ . PHE A 1 45 ? 1.328 -5.130 -12.986 1.00 37.52 45 A 1 ATOM 364 N N . LEU A 1 46 ? 3.592 -1.680 -17.580 1.00 50.61 46 A 1 ATOM 365 C CA . LEU A 1 46 ? 2.857 -0.435 -17.845 1.00 50.89 46 A 1 ATOM 366 C C . LEU A 1 46 ? 2.277 -0.376 -19.267 1.00 51.10 46 A 1 ATOM 367 O O . LEU A 1 46 ? 1.220 0.216 -19.470 1.00 49.95 46 A 1 ATOM 368 C CB . LEU A 1 46 ? 3.800 0.757 -17.606 1.00 49.04 46 A 1 ATOM 369 C CG . LEU A 1 46 ? 4.133 1.031 -16.125 1.00 44.98 46 A 1 ATOM 370 C CD1 . LEU A 1 46 ? 5.307 2.008 -16.023 1.00 42.26 46 A 1 ATOM 371 C CD2 . LEU A 1 46 ? 2.951 1.638 -15.377 1.00 43.54 46 A 1 ATOM 372 N N . GLU A 1 47 ? 2.941 -0.992 -20.249 1.00 50.22 47 A 1 ATOM 373 C CA . GLU A 1 47 ? 2.443 -1.093 -21.629 1.00 51.66 47 A 1 ATOM 374 C C . GLU A 1 47 ? 1.314 -2.125 -21.767 1.00 51.19 47 A 1 ATOM 375 O O . GLU A 1 47 ? 0.413 -1.951 -22.585 1.00 49.93 47 A 1 ATOM 376 C CB . GLU A 1 47 ? 3.603 -1.452 -22.571 1.00 51.33 47 A 1 ATOM 377 C CG . GLU A 1 47 ? 4.527 -0.253 -22.862 1.00 46.57 47 A 1 ATOM 378 C CD . GLU A 1 47 ? 5.815 -0.634 -23.620 1.00 44.37 47 A 1 ATOM 379 O OE1 . GLU A 1 47 ? 6.668 0.269 -23.798 1.00 42.82 47 A 1 ATOM 380 O OE2 . GLU A 1 47 ? 5.966 -1.816 -24.004 1.00 42.50 47 A 1 ATOM 381 N N . SER A 1 48 ? 1.341 -3.192 -20.952 1.00 52.34 48 A 1 ATOM 382 C CA . SER A 1 48 ? 0.300 -4.229 -20.954 1.00 52.47 48 A 1 ATOM 383 C C . SER A 1 48 ? -0.918 -3.883 -20.091 1.00 52.18 48 A 1 ATOM 384 O O . SER A 1 48 ? -1.999 -4.410 -20.347 1.00 49.99 48 A 1 ATOM 385 C CB . SER A 1 48 ? 0.879 -5.588 -20.556 1.00 51.02 48 A 1 ATOM 386 O OG . SER A 1 48 ? 1.500 -5.554 -19.288 1.00 45.29 48 A 1 ATOM 387 N N . HIS A 1 49 ? -0.765 -3.002 -19.114 1.00 48.83 49 A 1 ATOM 388 C CA . HIS A 1 49 ? -1.838 -2.571 -18.222 1.00 49.44 49 A 1 ATOM 389 C C . HIS A 1 49 ? -2.050 -1.069 -18.398 1.00 48.73 49 A 1 ATOM 390 O O . HIS A 1 49 ? -1.244 -0.257 -17.951 1.00 46.90 49 A 1 ATOM 391 C CB . HIS A 1 49 ? -1.512 -2.955 -16.773 1.00 46.90 49 A 1 ATOM 392 C CG . HIS A 1 49 ? -1.370 -4.443 -16.561 1.00 43.69 49 A 1 ATOM 393 N ND1 . HIS A 1 49 ? -0.330 -5.224 -17.006 1.00 41.29 49 A 1 ATOM 394 C CD2 . HIS A 1 49 ? -2.259 -5.285 -15.950 1.00 40.11 49 A 1 ATOM 395 C CE1 . HIS A 1 49 ? -0.589 -6.500 -16.683 1.00 39.10 49 A 1 ATOM 396 N NE2 . HIS A 1 49 ? -1.756 -6.591 -16.027 1.00 38.22 49 A 1 ATOM 397 N N . ARG A 1 50 ? -3.129 -0.675 -19.066 1.00 48.86 50 A 1 ATOM 398 C CA . ARG A 1 50 ? -3.454 0.736 -19.274 1.00 49.83 50 A 1 ATOM 399 C C . ARG A 1 50 ? -3.542 1.443 -17.917 1.00 49.49 50 A 1 ATOM 400 O O . ARG A 1 50 ? -4.036 0.870 -16.948 1.00 47.37 50 A 1 ATOM 401 C CB . ARG A 1 50 ? -4.765 0.885 -20.068 1.00 47.78 50 A 1 ATOM 402 C CG . ARG A 1 50 ? -4.629 0.409 -21.525 1.00 42.80 50 A 1 ATOM 403 C CD . ARG A 1 50 ? -5.948 0.616 -22.275 1.00 41.39 50 A 1 ATOM 404 N NE . ARG A 1 50 ? -5.839 0.199 -23.686 1.00 38.75 50 A 1 ATOM 405 C CZ . ARG A 1 50 ? -6.790 0.277 -24.604 1.00 35.54 50 A 1 ATOM 406 N NH1 . ARG A 1 50 ? -7.972 0.756 -24.333 1.00 34.08 50 A 1 ATOM 407 N NH2 . ARG A 1 50 ? -6.567 -0.131 -25.824 1.00 33.12 50 A 1 ATOM 408 N N . ALA A 1 51 ? -3.153 2.723 -17.851 1.00 47.47 51 A 1 ATOM 409 C CA . ALA A 1 51 ? -3.237 3.537 -16.627 1.00 47.60 51 A 1 ATOM 410 C C . ALA A 1 51 ? -4.636 3.524 -15.968 1.00 48.18 51 A 1 ATOM 411 O O . ALA A 1 51 ? -4.766 3.697 -14.760 1.00 46.94 51 A 1 ATOM 412 C CB . ALA A 1 51 ? -2.809 4.963 -16.991 1.00 45.40 51 A 1 ATOM 413 N N . SER A 1 52 ? -5.684 3.257 -16.749 1.00 45.61 52 A 1 ATOM 414 C CA . SER A 1 52 ? -7.044 3.025 -16.261 1.00 46.44 52 A 1 ATOM 415 C C . SER A 1 52 ? -7.185 1.762 -15.399 1.00 46.59 52 A 1 ATOM 416 O O . SER A 1 52 ? -7.985 1.767 -14.467 1.00 44.81 52 A 1 ATOM 417 C CB . SER A 1 52 ? -8.004 2.942 -17.450 1.00 44.31 52 A 1 ATOM 418 O OG . SER A 1 52 ? -7.535 2.042 -18.439 1.00 39.81 52 A 1 ATOM 419 N N . GLU A 1 53 ? -6.412 0.711 -15.664 1.00 43.32 53 A 1 ATOM 420 C CA . GLU A 1 53 ? -6.416 -0.536 -14.883 1.00 44.20 53 A 1 ATOM 421 C C . GLU A 1 53 ? -5.668 -0.367 -13.555 1.00 44.73 53 A 1 ATOM 422 O O . GLU A 1 53 ? -6.090 -0.910 -12.538 1.00 43.69 53 A 1 ATOM 423 C CB . GLU A 1 53 ? -5.823 -1.684 -15.718 1.00 42.88 53 A 1 ATOM 424 C CG . GLU A 1 53 ? -6.720 -2.044 -16.914 1.00 38.29 53 A 1 ATOM 425 C CD . GLU A 1 53 ? -6.093 -3.064 -17.877 1.00 36.42 53 A 1 ATOM 426 O OE1 . GLU A 1 53 ? -6.866 -3.646 -18.669 1.00 34.58 53 A 1 ATOM 427 O OE2 . GLU A 1 53 ? -4.846 -3.178 -17.894 1.00 35.58 53 A 1 ATOM 428 N N . PHE A 1 54 ? -4.628 0.479 -13.515 1.00 44.05 54 A 1 ATOM 429 C CA . PHE A 1 54 ? -3.978 0.884 -12.261 1.00 43.85 54 A 1 ATOM 430 C C . PHE A 1 54 ? -4.903 1.682 -11.341 1.00 43.83 54 A 1 ATOM 431 O O . PHE A 1 54 ? -4.894 1.484 -10.126 1.00 42.56 54 A 1 ATOM 432 C CB . PHE A 1 54 ? -2.718 1.700 -12.569 1.00 41.74 54 A 1 ATOM 433 C CG . PHE A 1 54 ? -1.486 0.832 -12.666 1.00 39.25 54 A 1 ATOM 434 C CD1 . PHE A 1 54 ? -0.767 0.527 -11.494 1.00 36.95 54 A 1 ATOM 435 C CD2 . PHE A 1 54 ? -1.063 0.323 -13.904 1.00 37.37 54 A 1 ATOM 436 C CE1 . PHE A 1 54 ? 0.386 -0.266 -11.564 1.00 34.18 54 A 1 ATOM 437 C CE2 . PHE A 1 54 ? 0.092 -0.473 -13.971 1.00 34.07 54 A 1 ATOM 438 C CZ . PHE A 1 54 ? 0.820 -0.762 -12.801 1.00 34.13 54 A 1 ATOM 439 N N . LYS A 1 55 ? -5.750 2.542 -11.909 1.00 43.01 55 A 1 ATOM 440 C CA . LYS A 1 55 ? -6.751 3.289 -11.141 1.00 43.58 55 A 1 ATOM 441 C C . LYS A 1 55 ? -7.848 2.375 -10.566 1.00 43.42 55 A 1 ATOM 442 O O . LYS A 1 55 ? -8.453 2.705 -9.559 1.00 42.46 55 A 1 ATOM 443 C CB . LYS A 1 55 ? -7.305 4.421 -12.015 1.00 41.57 55 A 1 ATOM 444 C CG . LYS A 1 55 ? -7.949 5.514 -11.157 1.00 38.31 55 A 1 ATOM 445 C CD . LYS A 1 55 ? -8.327 6.743 -11.993 1.00 36.60 55 A 1 ATOM 446 C CE . LYS A 1 55 ? -8.808 7.838 -11.036 1.00 34.20 55 A 1 ATOM 447 N NZ . LYS A 1 55 ? -9.050 9.129 -11.713 1.00 31.10 55 A 1 ATOM 448 N N . ILE A 1 56 ? -8.077 1.219 -11.193 1.00 40.88 56 A 1 ATOM 449 C CA . ILE A 1 56 ? -8.982 0.166 -10.698 1.00 41.73 56 A 1 ATOM 450 C C . ILE A 1 56 ? -8.328 -0.645 -9.566 1.00 42.53 56 A 1 ATOM 451 O O . ILE A 1 56 ? -9.037 -1.179 -8.711 1.00 40.79 56 A 1 ATOM 452 C CB . ILE A 1 56 ? -9.432 -0.731 -11.882 1.00 38.92 56 A 1 ATOM 453 C CG1 . ILE A 1 56 ? -10.306 0.077 -12.879 1.00 35.78 56 A 1 ATOM 454 C CG2 . ILE A 1 56 ? -10.222 -1.967 -11.415 1.00 35.12 56 A 1 ATOM 455 C CD1 . ILE A 1 56 ? -10.465 -0.598 -14.250 1.00 33.63 56 A 1 ATOM 456 N N . LEU A 1 57 ? -6.996 -0.738 -9.526 1.00 47.26 57 A 1 ATOM 457 C CA . LEU A 1 57 ? -6.282 -1.442 -8.465 1.00 47.95 57 A 1 ATOM 458 C C . LEU A 1 57 ? -6.380 -0.682 -7.139 1.00 49.67 57 A 1 ATOM 459 O O . LEU A 1 57 ? -6.702 -1.312 -6.146 1.00 47.47 57 A 1 ATOM 460 C CB . LEU A 1 57 ? -4.841 -1.756 -8.921 1.00 43.57 57 A 1 ATOM 461 C CG . LEU A 1 57 ? -4.770 -2.969 -9.872 1.00 39.49 57 A 1 ATOM 462 C CD1 . LEU A 1 57 ? -3.476 -2.973 -10.688 1.00 36.36 57 A 1 ATOM 463 C CD2 . LEU A 1 57 ? -4.825 -4.299 -9.110 1.00 36.57 57 A 1 ATOM 464 N N . LEU A 1 58 ? -6.254 0.648 -7.116 1.00 54.69 58 A 1 ATOM 465 C CA . LEU A 1 58 ? -6.363 1.466 -5.887 1.00 57.04 58 A 1 ATOM 466 C C . LEU A 1 58 ? -7.820 1.783 -5.479 1.00 61.41 58 A 1 ATOM 467 O O . LEU A 1 58 ? -8.146 2.899 -5.083 1.00 58.64 58 A 1 ATOM 468 C CB . LEU A 1 58 ? -5.497 2.729 -6.046 1.00 52.62 58 A 1 ATOM 469 C CG . LEU A 1 58 ? -3.985 2.460 -6.140 1.00 47.33 58 A 1 ATOM 470 C CD1 . LEU A 1 58 ? -3.270 3.742 -6.562 1.00 43.62 58 A 1 ATOM 471 C CD2 . LEU A 1 58 ? -3.400 2.012 -4.805 1.00 44.96 58 A 1 ATOM 472 N N . ASP A 1 59 ? -8.720 0.819 -5.610 1.00 68.31 59 A 1 ATOM 473 C CA . ASP A 1 59 ? -10.162 1.042 -5.419 1.00 69.56 59 A 1 ATOM 474 C C . ASP A 1 59 ? -10.534 1.217 -3.934 1.00 73.17 59 A 1 ATOM 475 O O . ASP A 1 59 ? -11.368 2.044 -3.575 1.00 69.37 59 A 1 ATOM 476 C CB . ASP A 1 59 ? -10.910 -0.126 -6.087 1.00 64.08 59 A 1 ATOM 477 C CG . ASP A 1 59 ? -12.374 0.162 -6.431 1.00 57.55 59 A 1 ATOM 478 O OD1 . ASP A 1 59 ? -12.749 1.348 -6.536 1.00 53.02 59 A 1 ATOM 479 O OD2 . ASP A 1 59 ? -13.106 -0.834 -6.640 1.00 52.57 59 A 1 ATOM 480 N N . ASN A 1 60 ? -9.859 0.487 -3.039 1.00 78.73 60 A 1 ATOM 481 C CA . ASN A 1 60 ? -10.108 0.544 -1.602 1.00 82.27 60 A 1 ATOM 482 C C . ASN A 1 60 ? -8.817 0.326 -0.779 1.00 84.44 60 A 1 ATOM 483 O O . ASN A 1 60 ? -8.182 -0.722 -0.924 1.00 83.76 60 A 1 ATOM 484 C CB . ASN A 1 60 ? -11.182 -0.502 -1.271 1.00 80.45 60 A 1 ATOM 485 C CG . ASN A 1 60 ? -11.523 -0.515 0.202 1.00 77.71 60 A 1 ATOM 486 O OD1 . ASN A 1 60 ? -10.817 -1.078 1.020 1.00 73.11 60 A 1 ATOM 487 N ND2 . ASN A 1 60 ? -12.593 0.133 0.599 1.00 71.74 60 A 1 ATOM 488 N N . PRO A 1 61 ? -8.460 1.239 0.154 1.00 86.55 61 A 1 ATOM 489 C CA . PRO A 1 61 ? -7.228 1.137 0.942 1.00 87.60 61 A 1 ATOM 490 C C . PRO A 1 61 ? -7.087 -0.162 1.743 1.00 89.06 61 A 1 ATOM 491 O O . PRO A 1 61 ? -5.988 -0.702 1.860 1.00 88.38 61 A 1 ATOM 492 C CB . PRO A 1 61 ? -7.257 2.342 1.890 1.00 85.81 61 A 1 ATOM 493 C CG . PRO A 1 61 ? -8.089 3.368 1.132 1.00 82.92 61 A 1 ATOM 494 C CD . PRO A 1 61 ? -9.113 2.517 0.400 1.00 85.81 61 A 1 ATOM 495 N N . LEU A 1 62 ? -8.188 -0.687 2.289 1.00 87.67 62 A 1 ATOM 496 C CA . LEU A 1 62 ? -8.151 -1.960 3.012 1.00 88.47 62 A 1 ATOM 497 C C . LEU A 1 62 ? -7.905 -3.132 2.059 1.00 88.54 62 A 1 ATOM 498 O O . LEU A 1 62 ? -7.135 -4.027 2.387 1.00 88.03 62 A 1 ATOM 499 C CB . LEU A 1 62 ? -9.445 -2.146 3.820 1.00 88.69 62 A 1 ATOM 500 C CG . LEU A 1 62 ? -9.530 -3.496 4.562 1.00 87.08 62 A 1 ATOM 501 C CD1 . LEU A 1 62 ? -8.401 -3.689 5.580 1.00 84.29 62 A 1 ATOM 502 C CD2 . LEU A 1 62 ? -10.854 -3.588 5.316 1.00 84.45 62 A 1 ATOM 503 N N . LYS A 1 63 ? -8.518 -3.128 0.876 1.00 88.11 63 A 1 ATOM 504 C CA . LYS A 1 63 ? -8.290 -4.160 -0.142 1.00 87.06 63 A 1 ATOM 505 C C . LYS A 1 63 ? -6.826 -4.176 -0.588 1.00 87.63 63 A 1 ATOM 506 O O . LYS A 1 63 ? -6.245 -5.254 -0.670 1.00 86.55 63 A 1 ATOM 507 C CB . LYS A 1 63 ? -9.251 -3.919 -1.308 1.00 84.87 63 A 1 ATOM 508 C CG . LYS A 1 63 ? -9.217 -5.036 -2.354 1.00 77.36 63 A 1 ATOM 509 C CD . LYS A 1 63 ? -10.192 -4.670 -3.473 1.00 74.66 63 A 1 ATOM 510 C CE . LYS A 1 63 ? -10.119 -5.666 -4.633 1.00 67.40 63 A 1 ATOM 511 N NZ . LYS A 1 63 ? -10.877 -5.136 -5.794 1.00 61.00 63 A 1 ATOM 512 N N . GLU A 1 64 ? -6.224 -3.001 -0.772 1.00 84.94 64 A 1 ATOM 513 C CA . GLU A 1 64 ? -4.801 -2.870 -1.091 1.00 84.11 64 A 1 ATOM 514 C C . GLU A 1 64 ? -3.900 -3.380 0.031 1.00 85.74 64 A 1 ATOM 515 O O . GLU A 1 64 ? -2.967 -4.144 -0.221 1.00 84.82 64 A 1 ATOM 516 C CB . GLU A 1 64 ? -4.461 -1.407 -1.415 1.00 81.43 64 A 1 ATOM 517 C CG . GLU A 1 64 ? -5.082 -0.950 -2.739 1.00 75.42 64 A 1 ATOM 518 C CD . GLU A 1 64 ? -4.783 -1.991 -3.830 1.00 70.50 64 A 1 ATOM 519 O OE1 . GLU A 1 64 ? -5.750 -2.628 -4.323 1.00 63.93 64 A 1 ATOM 520 O OE2 . GLU A 1 64 ? -3.594 -2.265 -4.069 1.00 61.36 64 A 1 ATOM 521 N N . LEU A 1 65 ? -4.219 -3.046 1.284 1.00 86.36 65 A 1 ATOM 522 C CA . LEU A 1 65 ? -3.506 -3.576 2.444 1.00 87.96 65 A 1 ATOM 523 C C . LEU A 1 65 ? -3.571 -5.113 2.481 1.00 88.24 65 A 1 ATOM 524 O O . LEU A 1 65 ? -2.556 -5.777 2.683 1.00 88.06 65 A 1 ATOM 525 C CB . LEU A 1 65 ? -4.119 -2.966 3.718 1.00 89.26 65 A 1 ATOM 526 C CG . LEU A 1 65 ? -3.304 -3.288 4.985 1.00 88.46 65 A 1 ATOM 527 C CD1 . LEU A 1 65 ? -2.134 -2.320 5.152 1.00 84.10 65 A 1 ATOM 528 C CD2 . LEU A 1 65 ? -4.185 -3.195 6.225 1.00 84.14 65 A 1 ATOM 529 N N . LEU A 1 66 ? -4.754 -5.690 2.263 1.00 88.44 66 A 1 ATOM 530 C CA . LEU A 1 66 ? -4.921 -7.145 2.240 1.00 88.37 66 A 1 ATOM 531 C C . LEU A 1 66 ? -4.112 -7.786 1.108 1.00 88.54 66 A 1 ATOM 532 O O . LEU A 1 66 ? -3.402 -8.760 1.357 1.00 87.44 66 A 1 ATOM 533 C CB . LEU A 1 66 ? -6.408 -7.513 2.118 1.00 88.09 66 A 1 ATOM 534 C CG . LEU A 1 66 ? -7.278 -7.136 3.324 1.00 86.23 66 A 1 ATOM 535 C CD1 . LEU A 1 66 ? -8.729 -7.519 3.023 1.00 82.67 66 A 1 ATOM 536 C CD2 . LEU A 1 66 ? -6.831 -7.817 4.616 1.00 82.16 66 A 1 ATOM 537 N N . ASN A 1 67 ? -4.164 -7.217 -0.095 1.00 85.02 67 A 1 ATOM 538 C CA . ASN A 1 67 ? -3.383 -7.682 -1.241 1.00 83.97 67 A 1 ATOM 539 C C . ASN A 1 67 ? -1.876 -7.625 -0.947 1.00 84.67 67 A 1 ATOM 540 O O . ASN A 1 67 ? -1.167 -8.593 -1.213 1.00 82.69 67 A 1 ATOM 541 C CB . ASN A 1 67 ? -3.726 -6.819 -2.467 1.00 80.96 67 A 1 ATOM 542 C CG . ASN A 1 67 ? -5.108 -7.045 -3.043 1.00 74.17 67 A 1 ATOM 543 O OD1 . ASN A 1 67 ? -5.757 -8.065 -2.841 1.00 67.56 67 A 1 ATOM 544 N ND2 . ASN A 1 67 ? -5.581 -6.108 -3.843 1.00 67.00 67 A 1 ATOM 545 N N . TYR A 1 68 ? -1.399 -6.528 -0.327 1.00 83.50 68 A 1 ATOM 546 C CA . TYR A 1 68 ? 0.002 -6.345 0.056 1.00 84.25 68 A 1 ATOM 547 C C . TYR A 1 68 ? 0.503 -7.447 1.000 1.00 85.82 68 A 1 ATOM 548 O O . TYR A 1 68 ? 1.608 -7.960 0.831 1.00 83.81 68 A 1 ATOM 549 C CB . TYR A 1 68 ? 0.155 -4.954 0.691 1.00 84.27 68 A 1 ATOM 550 C CG . TYR A 1 68 ? 1.571 -4.642 1.127 1.00 81.85 68 A 1 ATOM 551 C CD1 . TYR A 1 68 ? 1.958 -4.834 2.470 1.00 77.22 68 A 1 ATOM 552 C CD2 . TYR A 1 68 ? 2.514 -4.192 0.181 1.00 76.42 68 A 1 ATOM 553 C CE1 . TYR A 1 68 ? 3.284 -4.575 2.862 1.00 74.28 68 A 1 ATOM 554 C CE2 . TYR A 1 68 ? 3.842 -3.935 0.573 1.00 75.23 68 A 1 ATOM 555 C CZ . TYR A 1 68 ? 4.229 -4.129 1.915 1.00 75.57 68 A 1 ATOM 556 O OH . TYR A 1 68 ? 5.515 -3.885 2.298 1.00 74.19 68 A 1 ATOM 557 N N . TYR A 1 69 ? -0.327 -7.855 1.964 1.00 86.00 69 A 1 ATOM 558 C CA . TYR A 1 69 ? -0.009 -8.943 2.898 1.00 87.57 69 A 1 ATOM 559 C C . TYR A 1 69 ? -0.419 -10.341 2.398 1.00 88.84 69 A 1 ATOM 560 O O . TYR A 1 69 ? -0.266 -11.321 3.127 1.00 85.95 69 A 1 ATOM 561 C CB . TYR A 1 69 ? -0.594 -8.605 4.277 1.00 89.26 69 A 1 ATOM 562 C CG . TYR A 1 69 ? 0.152 -7.490 4.990 1.00 89.26 69 A 1 ATOM 563 C CD1 . TYR A 1 69 ? 1.434 -7.742 5.516 1.00 84.11 69 A 1 ATOM 564 C CD2 . TYR A 1 69 ? -0.412 -6.203 5.105 1.00 84.65 69 A 1 ATOM 565 C CE1 . TYR A 1 69 ? 2.163 -6.711 6.133 1.00 82.63 69 A 1 ATOM 566 C CE2 . TYR A 1 69 ? 0.317 -5.166 5.721 1.00 83.94 69 A 1 ATOM 567 C CZ . TYR A 1 69 ? 1.611 -5.420 6.228 1.00 86.58 69 A 1 ATOM 568 O OH . TYR A 1 69 ? 2.339 -4.425 6.797 1.00 85.01 69 A 1 ATOM 569 N N . GLY A 1 70 ? -0.943 -10.467 1.177 1.00 85.31 70 A 1 ATOM 570 C CA . GLY A 1 70 ? -1.423 -11.747 0.636 1.00 85.46 70 A 1 ATOM 571 C C . GLY A 1 70 ? -2.637 -12.315 1.381 1.00 86.97 70 A 1 ATOM 572 O O . GLY A 1 70 ? -2.855 -13.529 1.377 1.00 83.87 70 A 1 ATOM 573 N N . LEU A 1 71 ? -3.418 -11.461 2.038 1.00 87.95 71 A 1 ATOM 574 C CA . LEU A 1 71 ? -4.609 -11.836 2.801 1.00 89.18 71 A 1 ATOM 575 C C . LEU A 1 71 ? -5.875 -11.702 1.946 1.00 89.14 71 A 1 ATOM 576 O O . LEU A 1 71 ? -5.953 -10.938 0.988 1.00 87.61 71 A 1 ATOM 577 C CB . LEU A 1 71 ? -4.705 -10.995 4.087 1.00 88.84 71 A 1 ATOM 578 C CG . LEU A 1 71 ? -3.494 -11.096 5.033 1.00 87.23 71 A 1 ATOM 579 C CD1 . LEU A 1 71 ? -3.739 -10.214 6.258 1.00 82.57 71 A 1 ATOM 580 C CD2 . LEU A 1 71 ? -3.238 -12.522 5.515 1.00 82.62 71 A 1 ATOM 581 N N . THR A 1 72 ? -6.911 -12.435 2.324 1.00 88.54 72 A 1 ATOM 582 C CA . THR A 1 72 ? -8.202 -12.414 1.626 1.00 88.20 72 A 1 ATOM 583 C C . THR A 1 72 ? -9.321 -11.916 2.541 1.00 88.12 72 A 1 ATOM 584 O O . THR A 1 72 ? -9.247 -12.008 3.768 1.00 87.46 72 A 1 ATOM 585 C CB . THR A 1 72 ? -8.557 -13.788 1.033 1.00 87.13 72 A 1 ATOM 586 O OG1 . THR A 1 72 ? -8.790 -14.730 2.050 1.00 84.20 72 A 1 ATOM 587 C CG2 . THR A 1 72 ? -7.473 -14.345 0.107 1.00 82.93 72 A 1 ATOM 588 N N . GLN A 1 73 ? -10.411 -11.445 1.947 1.00 89.18 73 A 1 ATOM 589 C CA . GLN A 1 73 ? -11.627 -11.110 2.706 1.00 88.57 73 A 1 ATOM 590 C C . GLN A 1 73 ? -12.157 -12.318 3.491 1.00 89.69 73 A 1 ATOM 591 O O . GLN A 1 73 ? -12.674 -12.173 4.597 1.00 89.29 73 A 1 ATOM 592 C CB . GLN A 1 73 ? -12.726 -10.622 1.757 1.00 86.04 73 A 1 ATOM 593 C CG . GLN A 1 73 ? -12.335 -9.386 0.941 1.00 80.97 73 A 1 ATOM 594 C CD . GLN A 1 73 ? -13.499 -8.878 0.096 1.00 78.57 73 A 1 ATOM 595 O OE1 . GLN A 1 73 ? -14.661 -9.056 0.421 1.00 73.20 73 A 1 ATOM 596 N NE2 . GLN A 1 73 ? -13.247 -8.217 -1.007 1.00 68.47 73 A 1 ATOM 597 N N . TYR A 1 74 ? -12.007 -13.513 2.926 1.00 88.99 74 A 1 ATOM 598 C CA . TYR A 1 74 ? -12.376 -14.760 3.582 1.00 90.06 74 A 1 ATOM 599 C C . TYR A 1 74 ? -11.540 -15.003 4.844 1.00 91.09 74 A 1 ATOM 600 O O . TYR A 1 74 ? -12.094 -15.363 5.878 1.00 90.48 74 A 1 ATOM 601 C CB . TYR A 1 74 ? -12.227 -15.914 2.588 1.00 89.87 74 A 1 ATOM 602 C CG . TYR A 1 74 ? -12.586 -17.261 3.184 1.00 87.91 74 A 1 ATOM 603 C CD1 . TYR A 1 74 ? -11.583 -18.084 3.736 1.00 82.35 74 A 1 ATOM 604 C CD2 . TYR A 1 74 ? -13.930 -17.684 3.205 1.00 81.80 74 A 1 ATOM 605 C CE1 . TYR A 1 74 ? -11.924 -19.329 4.298 1.00 78.59 74 A 1 ATOM 606 C CE2 . TYR A 1 74 ? -14.274 -18.929 3.766 1.00 79.19 74 A 1 ATOM 607 C CZ . TYR A 1 74 ? -13.269 -19.750 4.311 1.00 79.45 74 A 1 ATOM 608 O OH . TYR A 1 74 ? -13.596 -20.957 4.851 1.00 78.75 74 A 1 ATOM 609 N N . TYR A 1 75 ? -10.229 -14.732 4.788 1.00 90.20 75 A 1 ATOM 610 C CA . TYR A 1 75 ? -9.342 -14.816 5.947 1.00 90.65 75 A 1 ATOM 611 C C . TYR A 1 75 ? -9.799 -13.876 7.075 1.00 91.32 75 A 1 ATOM 612 O O . TYR A 1 75 ? -9.963 -14.312 8.213 1.00 90.74 75 A 1 ATOM 613 C CB . TYR A 1 75 ? -7.906 -14.522 5.504 1.00 90.68 75 A 1 ATOM 614 C CG . TYR A 1 75 ? -6.898 -14.650 6.626 1.00 89.42 75 A 1 ATOM 615 C CD1 . TYR A 1 75 ? -6.540 -13.523 7.393 1.00 83.78 75 A 1 ATOM 616 C CD2 . TYR A 1 75 ? -6.333 -15.907 6.920 1.00 83.79 75 A 1 ATOM 617 C CE1 . TYR A 1 75 ? -5.621 -13.655 8.453 1.00 81.18 75 A 1 ATOM 618 C CE2 . TYR A 1 75 ? -5.415 -16.042 7.976 1.00 81.54 75 A 1 ATOM 619 C CZ . TYR A 1 75 ? -5.060 -14.915 8.747 1.00 82.84 75 A 1 ATOM 620 O OH . TYR A 1 75 ? -4.180 -15.041 9.775 1.00 81.51 75 A 1 ATOM 621 N N . LEU A 1 76 ? -10.141 -12.620 6.754 1.00 90.47 76 A 1 ATOM 622 C CA . LEU A 1 76 ? -10.686 -11.690 7.754 1.00 90.03 76 A 1 ATOM 623 C C . LEU A 1 76 ? -11.969 -12.210 8.425 1.00 90.49 76 A 1 ATOM 624 O O . LEU A 1 76 ? -12.189 -11.978 9.612 1.00 89.52 76 A 1 ATOM 625 C CB . LEU A 1 76 ? -10.975 -10.324 7.115 1.00 89.42 76 A 1 ATOM 626 C CG . LEU A 1 76 ? -9.757 -9.503 6.661 1.00 87.32 76 A 1 ATOM 627 C CD1 . LEU A 1 76 ? -10.269 -8.107 6.298 1.00 82.42 76 A 1 ATOM 628 C CD2 . LEU A 1 76 ? -8.695 -9.355 7.753 1.00 81.25 76 A 1 ATOM 629 N N . GLN A 1 77 ? -12.813 -12.903 7.680 1.00 90.99 77 A 1 ATOM 630 C CA . GLN A 1 77 ? -14.061 -13.448 8.215 1.00 90.89 77 A 1 ATOM 631 C C . GLN A 1 77 ? -13.842 -14.713 9.057 1.00 90.75 77 A 1 ATOM 632 O O . GLN A 1 77 ? -14.414 -14.834 10.139 1.00 89.96 77 A 1 ATOM 633 C CB . GLN A 1 77 ? -15.030 -13.748 7.064 1.00 89.66 77 A 1 ATOM 634 C CG . GLN A 1 77 ? -15.533 -12.469 6.383 1.00 83.61 77 A 1 ATOM 635 C CD . GLN A 1 77 ? -16.376 -12.768 5.155 1.00 80.91 77 A 1 ATOM 636 O OE1 . GLN A 1 77 ? -17.068 -13.770 5.052 1.00 73.85 77 A 1 ATOM 637 N NE2 . GLN A 1 77 ? -16.370 -11.904 4.169 1.00 69.00 77 A 1 ATOM 638 N N . LYS A 1 78 ? -13.048 -15.652 8.560 1.00 90.83 78 A 1 ATOM 639 C CA . LYS A 1 78 ? -12.932 -16.989 9.161 1.00 89.96 78 A 1 ATOM 640 C C . LYS A 1 78 ? -11.865 -17.075 10.242 1.00 89.68 78 A 1 ATOM 641 O O . LYS A 1 78 ? -12.148 -17.646 11.288 1.00 86.99 78 A 1 ATOM 642 C CB . LYS A 1 78 ? -12.694 -18.044 8.070 1.00 88.87 78 A 1 ATOM 643 C CG . LYS A 1 78 ? -13.902 -18.232 7.139 1.00 82.43 78 A 1 ATOM 644 C CD . LYS A 1 78 ? -15.148 -18.694 7.897 1.00 78.56 78 A 1 ATOM 645 C CE . LYS A 1 78 ? -16.275 -19.017 6.918 1.00 72.89 78 A 1 ATOM 646 N NZ . LYS A 1 78 ? -17.490 -19.447 7.647 1.00 64.16 78 A 1 ATOM 647 N N . GLU A 1 79 ? -10.704 -16.482 10.009 1.00 88.05 79 A 1 ATOM 648 C CA . GLU A 1 79 ? -9.570 -16.582 10.930 1.00 86.96 79 A 1 ATOM 649 C C . GLU A 1 79 ? -9.536 -15.401 11.904 1.00 87.24 79 A 1 ATOM 650 O O . GLU A 1 79 ? -9.343 -15.577 13.103 1.00 83.54 79 A 1 ATOM 651 C CB . GLU A 1 79 ? -8.255 -16.687 10.138 1.00 85.84 79 A 1 ATOM 652 C CG . GLU A 1 79 ? -8.236 -17.837 9.109 1.00 80.86 79 A 1 ATOM 653 C CD . GLU A 1 79 ? -8.526 -19.209 9.723 1.00 77.37 79 A 1 ATOM 654 O OE1 . GLU A 1 79 ? -9.229 -19.999 9.042 1.00 70.50 79 A 1 ATOM 655 O OE2 . GLU A 1 79 ? -8.084 -19.451 10.865 1.00 69.38 79 A 1 ATOM 656 N N . VAL A 1 80 ? -9.808 -14.192 11.417 1.00 88.86 80 A 1 ATOM 657 C CA . VAL A 1 80 ? -9.782 -12.966 12.234 1.00 88.22 80 A 1 ATOM 658 C C . VAL A 1 80 ? -11.124 -12.729 12.951 1.00 89.21 80 A 1 ATOM 659 O O . VAL A 1 80 ? -11.208 -11.994 13.946 1.00 86.56 80 A 1 ATOM 660 C CB . VAL A 1 80 ? -9.352 -11.768 11.365 1.00 87.50 80 A 1 ATOM 661 C CG1 . VAL A 1 80 ? -9.085 -10.520 12.192 1.00 83.45 80 A 1 ATOM 662 C CG2 . VAL A 1 80 ? -8.077 -12.085 10.562 1.00 83.27 80 A 1 ATOM 663 N N . GLY A 1 81 ? -12.204 -13.362 12.473 1.00 91.10 81 A 1 ATOM 664 C CA . GLY A 1 81 ? -13.521 -13.294 13.104 1.00 91.25 81 A 1 ATOM 665 C C . GLY A 1 81 ? -14.219 -11.942 12.950 1.00 91.94 81 A 1 ATOM 666 O O . GLY A 1 81 ? -14.914 -11.490 13.863 1.00 89.33 81 A 1 ATOM 667 N N . LEU A 1 82 ? -14.020 -11.257 11.818 1.00 90.23 82 A 1 ATOM 668 C CA . LEU A 1 82 ? -14.843 -10.116 11.415 1.00 91.08 82 A 1 ATOM 669 C C . LEU A 1 82 ? -16.133 -10.615 10.756 1.00 91.61 82 A 1 ATOM 670 O O . LEU A 1 82 ? -16.121 -11.561 9.975 1.00 90.29 82 A 1 ATOM 671 C CB . LEU A 1 82 ? -14.061 -9.174 10.484 1.00 90.36 82 A 1 ATOM 672 C CG . LEU A 1 82 ? -12.898 -8.422 11.159 1.00 88.79 82 A 1 ATOM 673 C CD1 . LEU A 1 82 ? -12.180 -7.549 10.128 1.00 84.69 82 A 1 ATOM 674 C CD2 . LEU A 1 82 ? -13.383 -7.499 12.282 1.00 84.19 82 A 1 ATOM 675 N N . SER A 1 83 ? -17.260 -9.967 11.051 1.00 91.14 83 A 1 ATOM 676 C CA . SER A 1 83 ? -18.518 -10.336 10.399 1.00 90.70 83 A 1 ATOM 677 C C . SER A 1 83 ? -18.463 -10.031 8.899 1.00 90.47 83 A 1 ATOM 678 O O . SER A 1 83 ? -17.859 -9.044 8.475 1.00 89.72 83 A 1 ATOM 679 C CB . SER A 1 83 ? -19.725 -9.665 11.069 1.00 89.67 83 A 1 ATOM 680 O OG . SER A 1 83 ? -19.840 -8.303 10.703 1.00 84.24 83 A 1 ATOM 681 N N . GLN A 1 84 ? -19.153 -10.835 8.092 1.00 90.23 84 A 1 ATOM 682 C CA . GLN A 1 84 ? -19.263 -10.608 6.647 1.00 89.26 84 A 1 ATOM 683 C C . GLN A 1 84 ? -19.783 -9.199 6.334 1.00 88.87 84 A 1 ATOM 684 O O . GLN A 1 84 ? -19.241 -8.519 5.467 1.00 87.96 84 A 1 ATOM 685 C CB . GLN A 1 84 ? -20.183 -11.680 6.050 1.00 87.73 84 A 1 ATOM 686 C CG . GLN A 1 84 ? -20.249 -11.607 4.512 1.00 79.90 84 A 1 ATOM 687 C CD . GLN A 1 84 ? -21.150 -12.676 3.908 1.00 75.21 84 A 1 ATOM 688 O OE1 . GLN A 1 84 ? -21.850 -13.406 4.586 1.00 68.36 84 A 1 ATOM 689 N NE2 . GLN A 1 84 ? -21.183 -12.804 2.600 1.00 63.42 84 A 1 ATOM 690 N N . SER A 1 85 ? -20.782 -8.727 7.088 1.00 88.87 85 A 1 ATOM 691 C CA . SER A 1 85 ? -21.334 -7.381 6.918 1.00 88.41 85 A 1 ATOM 692 C C . SER A 1 85 ? -20.314 -6.277 7.212 1.00 88.21 85 A 1 ATOM 693 O O . SER A 1 85 ? -20.315 -5.254 6.531 1.00 86.50 85 A 1 ATOM 694 C CB . SER A 1 85 ? -22.567 -7.199 7.808 1.00 87.63 85 A 1 ATOM 695 O OG . SER A 1 85 ? -22.252 -7.392 9.176 1.00 76.56 85 A 1 ATOM 696 N N . THR A 1 86 ? -19.424 -6.476 8.193 1.00 88.21 86 A 1 ATOM 697 C CA . THR A 1 86 ? -18.333 -5.540 8.493 1.00 87.75 86 A 1 ATOM 698 C C . THR A 1 86 ? -17.326 -5.510 7.351 1.00 87.93 86 A 1 ATOM 699 O O . THR A 1 86 ? -17.023 -4.433 6.848 1.00 87.05 86 A 1 ATOM 700 C CB . THR A 1 86 ? -17.642 -5.893 9.817 1.00 87.50 86 A 1 ATOM 701 O OG1 . THR A 1 86 ? -18.572 -5.846 10.871 1.00 84.74 86 A 1 ATOM 702 C CG2 . THR A 1 86 ? -16.523 -4.917 10.184 1.00 83.95 86 A 1 ATOM 703 N N . VAL A 1 87 ? -16.858 -6.673 6.892 1.00 87.20 87 A 1 ATOM 704 C CA . VAL A 1 87 ? -15.889 -6.759 5.785 1.00 86.84 87 A 1 ATOM 705 C C . VAL A 1 87 ? -16.458 -6.140 4.502 1.00 86.04 87 A 1 ATOM 706 O O . VAL A 1 87 ? -15.794 -5.319 3.872 1.00 85.02 87 A 1 ATOM 707 C CB . VAL A 1 87 ? -15.445 -8.219 5.567 1.00 87.30 87 A 1 ATOM 708 C CG1 . VAL A 1 87 ? -14.482 -8.354 4.384 1.00 85.34 87 A 1 ATOM 709 C CG2 . VAL A 1 87 ? -14.722 -8.757 6.810 1.00 85.08 87 A 1 ATOM 710 N N . SER A 1 88 ? -17.710 -6.445 4.162 1.00 86.58 88 A 1 ATOM 711 C CA . SER A 1 88 ? -18.385 -5.858 3.000 1.00 84.25 88 A 1 ATOM 712 C C . SER A 1 88 ? -18.510 -4.337 3.106 1.00 83.73 88 A 1 ATOM 713 O O . SER A 1 88 ? -18.211 -3.642 2.147 1.00 82.50 88 A 1 ATOM 714 C CB . SER A 1 88 ? -19.773 -6.470 2.800 1.00 83.19 88 A 1 ATOM 715 O OG . SER A 1 88 ? -19.658 -7.845 2.492 1.00 72.08 88 A 1 ATOM 716 N N . LYS A 1 89 ? -18.875 -3.794 4.275 1.00 84.73 89 A 1 ATOM 717 C CA . LYS A 1 89 ? -18.959 -2.332 4.464 1.00 83.86 89 A 1 ATOM 718 C C . LYS A 1 89 ? -17.601 -1.635 4.348 1.00 83.91 89 A 1 ATOM 719 O O . LYS A 1 89 ? -17.529 -0.522 3.836 1.00 83.02 89 A 1 ATOM 720 C CB . LYS A 1 89 ? -19.578 -2.015 5.830 1.00 83.62 89 A 1 ATOM 721 C CG . LYS A 1 89 ? -21.098 -2.218 5.825 1.00 78.27 89 A 1 ATOM 722 C CD . LYS A 1 89 ? -21.656 -2.039 7.236 1.00 75.28 89 A 1 ATOM 723 C CE . LYS A 1 89 ? -23.167 -2.289 7.211 1.00 69.25 89 A 1 ATOM 724 N NZ . LYS A 1 89 ? -23.770 -2.148 8.557 1.00 61.43 89 A 1 ATOM 725 N N . LEU A 1 90 ? -16.535 -2.273 4.831 1.00 85.12 90 A 1 ATOM 726 C CA . LEU A 1 90 ? -15.192 -1.699 4.773 1.00 83.50 90 A 1 ATOM 727 C C . LEU A 1 90 ? -14.629 -1.694 3.346 1.00 82.75 90 A 1 ATOM 728 O O . LEU A 1 90 ? -13.956 -0.736 2.971 1.00 81.20 90 A 1 ATOM 729 C CB . LEU A 1 90 ? -14.278 -2.483 5.727 1.00 84.07 90 A 1 ATOM 730 C CG . LEU A 1 90 ? -14.596 -2.286 7.221 1.00 81.78 90 A 1 ATOM 731 C CD1 . LEU A 1 90 ? -13.775 -3.280 8.043 1.00 79.08 90 A 1 ATOM 732 C CD2 . LEU A 1 90 ? -14.296 -0.879 7.716 1.00 79.14 90 A 1 ATOM 733 N N . ILE A 1 91 ? -14.916 -2.727 2.555 1.00 84.60 91 A 1 ATOM 734 C CA . ILE A 1 91 ? -14.326 -2.916 1.223 1.00 82.75 91 A 1 ATOM 735 C C . ILE A 1 91 ? -15.261 -2.442 0.108 1.00 80.40 91 A 1 ATOM 736 O O . ILE A 1 91 ? -14.836 -1.688 -0.761 1.00 76.29 91 A 1 ATOM 737 C CB . ILE A 1 91 ? -13.873 -4.381 1.044 1.00 82.55 91 A 1 ATOM 738 C CG1 . ILE A 1 91 ? -12.740 -4.689 2.056 1.00 80.16 91 A 1 ATOM 739 C CG2 . ILE A 1 91 ? -13.401 -4.642 -0.401 1.00 78.74 91 A 1 ATOM 740 C CD1 . ILE A 1 91 ? -12.282 -6.147 2.077 1.00 74.60 91 A 1 ATOM 741 N N . SER A 1 92 ? -16.520 -2.860 0.122 1.00 78.71 92 A 1 ATOM 742 C CA . SER A 1 92 ? -17.459 -2.576 -0.969 1.00 74.88 92 A 1 ATOM 743 C C . SER A 1 92 ? -18.053 -1.168 -0.887 1.00 74.24 92 A 1 ATOM 744 O O . SER A 1 92 ? -18.214 -0.525 -1.914 1.00 69.06 92 A 1 ATOM 745 C CB . SER A 1 92 ? -18.591 -3.605 -1.018 1.00 71.32 92 A 1 ATOM 746 O OG . SER A 1 92 ? -18.086 -4.930 -0.980 1.00 62.66 92 A 1 ATOM 747 N N . ASP A 1 93 ? -18.336 -0.681 0.333 1.00 76.42 93 A 1 ATOM 748 C CA . ASP A 1 93 ? -18.917 0.659 0.509 1.00 73.27 93 A 1 ATOM 749 C C . ASP A 1 93 ? -17.840 1.763 0.540 1.00 72.85 93 A 1 ATOM 750 O O . ASP A 1 93 ? -18.158 2.928 0.804 1.00 67.73 93 A 1 ATOM 751 C CB . ASP A 1 93 ? -19.795 0.743 1.782 1.00 70.83 93 A 1 ATOM 752 C CG . ASP A 1 93 ? -20.933 -0.266 1.923 1.00 64.97 93 A 1 ATOM 753 O OD1 . ASP A 1 93 ? -21.266 -0.985 0.961 1.00 62.16 93 A 1 ATOM 754 O OD2 . ASP A 1 93 ? -21.496 -0.304 3.051 1.00 61.16 93 A 1 ATOM 755 N N . ASN A 1 94 ? -16.566 1.402 0.308 1.00 73.88 94 A 1 ATOM 756 C CA . ASN A 1 94 ? -15.406 2.297 0.304 1.00 71.90 94 A 1 ATOM 757 C C . ASN A 1 94 ? -15.379 3.249 1.518 1.00 73.82 94 A 1 ATOM 758 O O . ASN A 1 94 ? -15.236 4.468 1.395 1.00 70.01 94 A 1 ATOM 759 C CB . ASN A 1 94 ? -15.310 3.004 -1.059 1.00 67.44 94 A 1 ATOM 760 C CG . ASN A 1 94 ? -13.951 3.650 -1.282 1.00 61.33 94 A 1 ATOM 761 O OD1 . ASN A 1 94 ? -12.945 3.304 -0.679 1.00 56.80 94 A 1 ATOM 762 N ND2 . ASN A 1 94 ? -13.867 4.598 -2.185 1.00 55.40 94 A 1 ATOM 763 N N . ARG A 1 95 ? -15.590 2.684 2.708 1.00 74.71 95 A 1 ATOM 764 C CA . ARG A 1 95 ? -15.684 3.451 3.958 1.00 74.67 95 A 1 ATOM 765 C C . ARG A 1 95 ? -14.398 4.252 4.194 1.00 76.77 95 A 1 ATOM 766 O O . ARG A 1 95 ? -13.306 3.691 4.084 1.00 75.40 95 A 1 ATOM 767 C CB . ARG A 1 95 ? -15.945 2.504 5.134 1.00 72.12 95 A 1 ATOM 768 C CG . ARG A 1 95 ? -17.401 2.027 5.227 1.00 67.15 95 A 1 ATOM 769 C CD . ARG A 1 95 ? -18.296 3.091 5.875 1.00 64.10 95 A 1 ATOM 770 N NE . ARG A 1 95 ? -19.648 2.556 6.128 1.00 59.60 95 A 1 ATOM 771 C CZ . ARG A 1 95 ? -20.550 3.059 6.955 1.00 52.52 95 A 1 ATOM 772 N NH1 . ARG A 1 95 ? -20.321 4.134 7.666 1.00 51.00 95 A 1 ATOM 773 N NH2 . ARG A 1 95 ? -21.708 2.482 7.080 1.00 47.80 95 A 1 ATOM 774 N N . PRO A 1 96 ? -14.491 5.537 4.586 1.00 78.06 96 A 1 ATOM 775 C CA . PRO A 1 96 ? -13.317 6.331 4.907 1.00 79.01 96 A 1 ATOM 776 C C . PRO A 1 96 ? -12.565 5.709 6.086 1.00 82.22 96 A 1 ATOM 777 O O . PRO A 1 96 ? -13.180 5.298 7.075 1.00 81.10 96 A 1 ATOM 778 C CB . PRO A 1 96 ? -13.835 7.740 5.215 1.00 75.62 96 A 1 ATOM 779 C CG . PRO A 1 96 ? -15.273 7.503 5.676 1.00 72.99 96 A 1 ATOM 780 C CD . PRO A 1 96 ? -15.707 6.292 4.843 1.00 75.25 96 A 1 ATOM 781 N N . ILE A 1 97 ? -11.229 5.697 6.015 1.00 79.44 97 A 1 ATOM 782 C CA . ILE A 1 97 ? -10.352 5.091 7.033 1.00 81.62 97 A 1 ATOM 783 C C . ILE A 1 97 ? -10.647 5.645 8.431 1.00 84.01 97 A 1 ATOM 784 O O . ILE A 1 97 ? -10.674 4.894 9.405 1.00 82.94 97 A 1 ATOM 785 C CB . ILE A 1 97 ? -8.876 5.331 6.654 1.00 80.85 97 A 1 ATOM 786 C CG1 . ILE A 1 97 ? -8.546 4.638 5.311 1.00 75.54 97 A 1 ATOM 787 C CG2 . ILE A 1 97 ? -7.917 4.826 7.752 1.00 72.98 97 A 1 ATOM 788 C CD1 . ILE A 1 97 ? -7.260 5.186 4.705 1.00 68.67 97 A 1 ATOM 789 N N . GLY A 1 98 ? -10.966 6.938 8.538 1.00 83.05 98 A 1 ATOM 790 C CA . GLY A 1 98 ? -11.342 7.577 9.804 1.00 82.13 98 A 1 ATOM 791 C C . GLY A 1 98 ? -12.606 7.007 10.464 1.00 83.82 98 A 1 ATOM 792 O O . GLY A 1 98 ? -12.850 7.269 11.635 1.00 81.70 98 A 1 ATOM 793 N N . SER A 1 99 ? -13.404 6.215 9.746 1.00 85.11 99 A 1 ATOM 794 C CA . SER A 1 99 ? -14.580 5.525 10.297 1.00 85.27 99 A 1 ATOM 795 C C . SER A 1 99 ? -14.281 4.128 10.850 1.00 87.19 99 A 1 ATOM 796 O O . SER A 1 99 ? -15.184 3.475 11.374 1.00 85.70 99 A 1 ATOM 797 C CB . SER A 1 99 ? -15.703 5.470 9.259 1.00 82.39 99 A 1 ATOM 798 O OG . SER A 1 99 ? -15.445 4.529 8.236 1.00 74.94 99 A 1 ATOM 799 N N . PHE A 1 100 ? -13.036 3.643 10.718 1.00 85.24 100 A 1 ATOM 800 C CA . PHE A 1 100 ? -12.667 2.311 11.175 1.00 86.87 100 A 1 ATOM 801 C C . PHE A 1 100 ? -12.679 2.268 12.700 1.00 88.56 100 A 1 ATOM 802 O O . PHE A 1 100 ? -12.021 3.054 13.379 1.00 87.83 100 A 1 ATOM 803 C CB . PHE A 1 100 ? -11.302 1.878 10.613 1.00 86.31 100 A 1 ATOM 804 C CG . PHE A 1 100 ? -11.277 1.441 9.153 1.00 85.92 100 A 1 ATOM 805 C CD1 . PHE A 1 100 ? -12.159 1.971 8.193 1.00 80.69 100 A 1 ATOM 806 C CD2 . PHE A 1 100 ? -10.331 0.477 8.751 1.00 80.34 100 A 1 ATOM 807 C CE1 . PHE A 1 100 ? -12.103 1.547 6.854 1.00 77.61 100 A 1 ATOM 808 C CE2 . PHE A 1 100 ? -10.275 0.053 7.411 1.00 78.64 100 A 1 ATOM 809 C CZ . PHE A 1 100 ? -11.159 0.585 6.462 1.00 80.75 100 A 1 ATOM 810 N N . GLN A 1 101 ? -13.425 1.314 13.255 1.00 89.32 101 A 1 ATOM 811 C CA . GLN A 1 101 ? -13.422 1.080 14.691 1.00 90.01 101 A 1 ATOM 812 C C . GLN A 1 101 ? -12.062 0.532 15.124 1.00 91.33 101 A 1 ATOM 813 O O . GLN A 1 101 ? -11.494 -0.333 14.456 1.00 91.16 101 A 1 ATOM 814 C CB . GLN A 1 101 ? -14.547 0.112 15.075 1.00 88.11 101 A 1 ATOM 815 C CG . GLN A 1 101 ? -15.939 0.707 14.814 1.00 82.07 101 A 1 ATOM 816 C CD . GLN A 1 101 ? -17.062 -0.233 15.244 1.00 77.84 101 A 1 ATOM 817 O OE1 . GLN A 1 101 ? -16.909 -1.434 15.385 1.00 70.09 101 A 1 ATOM 818 N NE2 . GLN A 1 101 ? -18.249 0.278 15.465 1.00 65.95 101 A 1 ATOM 819 N N . PHE A 1 102 ? -11.575 0.969 16.288 1.00 91.54 102 A 1 ATOM 820 C CA . PHE A 1 102 ? -10.306 0.491 16.845 1.00 92.48 102 A 1 ATOM 821 C C . PHE A 1 102 ? -10.237 -1.044 16.929 1.00 93.24 102 A 1 ATOM 822 O O . PHE A 1 102 ? -9.223 -1.635 16.573 1.00 92.90 102 A 1 ATOM 823 C CB . PHE A 1 102 ? -10.100 1.118 18.230 1.00 91.77 102 A 1 ATOM 824 C CG . PHE A 1 102 ? -8.795 0.692 18.870 1.00 91.09 102 A 1 ATOM 825 C CD1 . PHE A 1 102 ? -8.774 -0.333 19.839 1.00 85.56 102 A 1 ATOM 826 C CD2 . PHE A 1 102 ? -7.588 1.292 18.464 1.00 85.93 102 A 1 ATOM 827 C CE1 . PHE A 1 102 ? -7.554 -0.746 20.400 1.00 83.73 102 A 1 ATOM 828 C CE2 . PHE A 1 102 ? -6.367 0.874 19.023 1.00 83.61 102 A 1 ATOM 829 C CZ . PHE A 1 102 ? -6.350 -0.143 19.992 1.00 86.05 102 A 1 ATOM 830 N N . ALA A 1 103 ? -11.338 -1.700 17.305 1.00 92.85 103 A 1 ATOM 831 C CA . ALA A 1 103 ? -11.414 -3.162 17.355 1.00 92.58 103 A 1 ATOM 832 C C . ALA A 1 103 ? -11.173 -3.832 15.987 1.00 92.85 103 A 1 ATOM 833 O O . ALA A 1 103 ? -10.623 -4.928 15.926 1.00 91.66 103 A 1 ATOM 834 C CB . ALA A 1 103 ? -12.795 -3.540 17.907 1.00 91.75 103 A 1 ATOM 835 N N . VAL A 1 104 ? -11.565 -3.185 14.890 1.00 91.56 104 A 1 ATOM 836 C CA . VAL A 1 104 ? -11.304 -3.675 13.528 1.00 91.26 104 A 1 ATOM 837 C C . VAL A 1 104 ? -9.826 -3.504 13.182 1.00 92.58 104 A 1 ATOM 838 O O . VAL A 1 104 ? -9.208 -4.451 12.703 1.00 92.43 104 A 1 ATOM 839 C CB . VAL A 1 104 ? -12.203 -2.962 12.502 1.00 89.77 104 A 1 ATOM 840 C CG1 . VAL A 1 104 ? -11.857 -3.352 11.062 1.00 86.79 104 A 1 ATOM 841 C CG2 . VAL A 1 104 ? -13.684 -3.296 12.740 1.00 86.13 104 A 1 ATOM 842 N N . LEU A 1 105 ? -9.247 -2.329 13.473 1.00 92.49 105 A 1 ATOM 843 C CA . LEU A 1 105 ? -7.819 -2.073 13.261 1.00 92.89 105 A 1 ATOM 844 C C . LEU A 1 105 ? -6.947 -3.045 14.061 1.00 93.65 105 A 1 ATOM 845 O O . LEU A 1 105 ? -5.977 -3.561 13.520 1.00 93.39 105 A 1 ATOM 846 C CB . LEU A 1 105 ? -7.479 -0.624 13.637 1.00 92.26 105 A 1 ATOM 847 C CG . LEU A 1 105 ? -8.105 0.449 12.730 1.00 89.98 105 A 1 ATOM 848 C CD1 . LEU A 1 105 ? -7.761 1.834 13.285 1.00 86.85 105 A 1 ATOM 849 C CD2 . LEU A 1 105 ? -7.587 0.365 11.295 1.00 85.94 105 A 1 ATOM 850 N N . LEU A 1 106 ? -7.323 -3.337 15.311 1.00 94.26 106 A 1 ATOM 851 C CA . LEU A 1 106 ? -6.626 -4.310 16.153 1.00 94.14 106 A 1 ATOM 852 C C . LEU A 1 106 ? -6.622 -5.702 15.511 1.00 94.14 106 A 1 ATOM 853 O O . LEU A 1 106 ? -5.570 -6.315 15.387 1.00 93.72 106 A 1 ATOM 854 C CB . LEU A 1 106 ? -7.285 -4.323 17.545 1.00 93.63 106 A 1 ATOM 855 C CG . LEU A 1 106 ? -6.600 -5.262 18.556 1.00 85.65 106 A 1 ATOM 856 C CD1 . LEU A 1 106 ? -5.178 -4.808 18.885 1.00 81.91 106 A 1 ATOM 857 C CD2 . LEU A 1 106 ? -7.414 -5.284 19.850 1.00 82.31 106 A 1 ATOM 858 N N . LYS A 1 107 ? -7.770 -6.159 15.018 1.00 93.68 107 A 1 ATOM 859 C CA . LYS A 1 107 ? -7.879 -7.454 14.328 1.00 93.04 107 A 1 ATOM 860 C C . LYS A 1 107 ? -7.055 -7.509 13.036 1.00 93.59 107 A 1 ATOM 861 O O . LYS A 1 107 ? -6.447 -8.530 12.736 1.00 92.70 107 A 1 ATOM 862 C CB . LYS A 1 107 ? -9.352 -7.746 14.038 1.00 92.33 107 A 1 ATOM 863 C CG . LYS A 1 107 ? -10.096 -8.182 15.306 1.00 89.92 107 A 1 ATOM 864 C CD . LYS A 1 107 ? -11.506 -8.655 14.949 1.00 84.74 107 A 1 ATOM 865 C CE . LYS A 1 107 ? -12.153 -9.319 16.167 1.00 80.61 107 A 1 ATOM 866 N NZ . LYS A 1 107 ? -13.103 -10.382 15.758 1.00 72.04 107 A 1 ATOM 867 N N . ILE A 1 108 ? -7.012 -6.410 12.271 1.00 93.46 108 A 1 ATOM 868 C CA . ILE A 1 108 ? -6.176 -6.322 11.065 1.00 93.03 108 A 1 ATOM 869 C C . ILE A 1 108 ? -4.687 -6.316 11.444 1.00 93.45 108 A 1 ATOM 870 O O . ILE A 1 108 ? -3.884 -6.969 10.782 1.00 92.97 108 A 1 ATOM 871 C CB . ILE A 1 108 ? -6.562 -5.086 10.226 1.00 92.36 108 A 1 ATOM 872 C CG1 . ILE A 1 108 ? -8.014 -5.203 9.695 1.00 90.77 108 A 1 ATOM 873 C CG2 . ILE A 1 108 ? -5.605 -4.912 9.027 1.00 90.46 108 A 1 ATOM 874 C CD1 . ILE A 1 108 ? -8.587 -3.871 9.204 1.00 85.75 108 A 1 ATOM 875 N N . ALA A 1 109 ? -4.319 -5.626 12.520 1.00 94.03 109 A 1 ATOM 876 C CA . ALA A 1 109 ? -2.959 -5.595 13.044 1.00 93.96 109 A 1 ATOM 877 C C . ALA A 1 109 ? -2.479 -6.997 13.452 1.00 93.75 109 A 1 ATOM 878 O O . ALA A 1 109 ? -1.399 -7.425 13.045 1.00 92.77 109 A 1 ATOM 879 C CB . ALA A 1 109 ? -2.924 -4.595 14.208 1.00 94.26 109 A 1 ATOM 880 N N . GLU A 1 110 ? -3.312 -7.753 14.159 1.00 92.96 110 A 1 ATOM 881 C CA . GLU A 1 110 ? -3.045 -9.156 14.499 1.00 91.95 110 A 1 ATOM 882 C C . GLU A 1 110 ? -2.875 -10.020 13.240 1.00 91.74 110 A 1 ATOM 883 O O . GLU A 1 110 ? -1.903 -10.767 13.124 1.00 90.08 110 A 1 ATOM 884 C CB . GLU A 1 110 ? -4.198 -9.696 15.366 1.00 91.00 110 A 1 ATOM 885 C CG . GLU A 1 110 ? -4.196 -9.111 16.791 1.00 85.86 110 A 1 ATOM 886 C CD . GLU A 1 110 ? -5.457 -9.464 17.605 1.00 81.84 110 A 1 ATOM 887 O OE1 . GLU A 1 110 ? -5.533 -9.010 18.772 1.00 75.33 110 A 1 ATOM 888 O OE2 . GLU A 1 110 ? -6.366 -10.145 17.071 1.00 75.70 110 A 1 ATOM 889 N N . ALA A 1 111 ? -3.769 -9.870 12.259 1.00 92.40 111 A 1 ATOM 890 C CA . ALA A 1 111 ? -3.719 -10.620 11.003 1.00 91.57 111 A 1 ATOM 891 C C . ALA A 1 111 ? -2.455 -10.354 10.173 1.00 92.27 111 A 1 ATOM 892 O O . ALA A 1 111 ? -1.960 -11.242 9.480 1.00 90.63 111 A 1 ATOM 893 C CB . ALA A 1 111 ? -4.957 -10.249 10.185 1.00 90.84 111 A 1 ATOM 894 N N . THR A 1 112 ? -1.946 -9.122 10.222 1.00 90.95 112 A 1 ATOM 895 C CA . THR A 1 112 ? -0.761 -8.681 9.475 1.00 91.06 112 A 1 ATOM 896 C C . THR A 1 112 ? 0.532 -8.791 10.285 1.00 91.16 112 A 1 ATOM 897 O O . THR A 1 112 ? 1.607 -8.540 9.749 1.00 88.99 112 A 1 ATOM 898 C CB . THR A 1 112 ? -0.953 -7.253 8.947 1.00 90.98 112 A 1 ATOM 899 O OG1 . THR A 1 112 ? -1.282 -6.365 9.987 1.00 89.27 112 A 1 ATOM 900 C CG2 . THR A 1 112 ? -2.077 -7.167 7.911 1.00 87.91 112 A 1 ATOM 901 N N . ASN A 1 113 ? 0.446 -9.190 11.564 1.00 91.17 113 A 1 ATOM 902 C CA . ASN A 1 113 ? 1.558 -9.198 12.517 1.00 91.12 113 A 1 ATOM 903 C C . ASN A 1 113 ? 2.269 -7.829 12.604 1.00 91.40 113 A 1 ATOM 904 O O . ASN A 1 113 ? 3.501 -7.727 12.543 1.00 88.81 113 A 1 ATOM 905 C CB . ASN A 1 113 ? 2.477 -10.393 12.207 1.00 89.19 113 A 1 ATOM 906 C CG . ASN A 1 113 ? 3.482 -10.651 13.313 1.00 80.93 113 A 1 ATOM 907 O OD1 . ASN A 1 113 ? 3.180 -10.650 14.493 1.00 73.00 113 A 1 ATOM 908 N ND2 . ASN A 1 113 ? 4.723 -10.911 12.970 1.00 71.07 113 A 1 ATOM 909 N N . ARG A 1 114 ? 1.472 -6.753 12.679 1.00 92.50 114 A 1 ATOM 910 C CA . ARG A 1 114 ? 1.901 -5.350 12.790 1.00 92.45 114 A 1 ATOM 911 C C . ARG A 1 114 ? 1.246 -4.674 13.992 1.00 93.80 114 A 1 ATOM 912 O O . ARG A 1 114 ? 0.260 -5.159 14.540 1.00 92.21 114 A 1 ATOM 913 C CB . ARG A 1 114 ? 1.564 -4.586 11.497 1.00 91.74 114 A 1 ATOM 914 C CG . ARG A 1 114 ? 2.272 -5.093 10.235 1.00 89.17 114 A 1 ATOM 915 C CD . ARG A 1 114 ? 3.793 -4.993 10.357 1.00 84.56 114 A 1 ATOM 916 N NE . ARG A 1 114 ? 4.451 -5.462 9.130 1.00 78.60 114 A 1 ATOM 917 C CZ . ARG A 1 114 ? 5.727 -5.771 9.018 1.00 71.62 114 A 1 ATOM 918 N NH1 . ARG A 1 114 ? 6.547 -5.677 10.028 1.00 67.43 114 A 1 ATOM 919 N NH2 . ARG A 1 114 ? 6.201 -6.193 7.879 1.00 66.44 114 A 1 ATOM 920 N N . SER A 1 115 ? 1.772 -3.526 14.388 1.00 94.61 115 A 1 ATOM 921 C CA . SER A 1 115 ? 1.092 -2.657 15.345 1.00 95.07 115 A 1 ATOM 922 C C . SER A 1 115 ? -0.108 -1.956 14.699 1.00 95.03 115 A 1 ATOM 923 O O . SER A 1 115 ? -0.158 -1.743 13.488 1.00 94.04 115 A 1 ATOM 924 C CB . SER A 1 115 ? 2.077 -1.648 15.943 1.00 94.39 115 A 1 ATOM 925 O OG . SER A 1 115 ? 2.495 -0.728 14.965 1.00 91.48 115 A 1 ATOM 926 N N . VAL A 1 116 ? -1.078 -1.544 15.518 1.00 94.18 116 A 1 ATOM 927 C CA . VAL A 1 116 ? -2.232 -0.752 15.048 1.00 94.33 116 A 1 ATOM 928 C C . VAL A 1 116 ? -1.786 0.559 14.392 1.00 94.55 116 A 1 ATOM 929 O O . VAL A 1 116 ? -2.395 0.985 13.418 1.00 93.88 116 A 1 ATOM 930 C CB . VAL A 1 116 ? -3.203 -0.470 16.211 1.00 93.22 116 A 1 ATOM 931 C CG1 . VAL A 1 116 ? -4.385 0.417 15.797 1.00 89.10 116 A 1 ATOM 932 C CG2 . VAL A 1 116 ? -3.790 -1.775 16.766 1.00 88.59 116 A 1 ATOM 933 N N . GLY A 1 117 ? -0.709 1.178 14.898 1.00 94.23 117 A 1 ATOM 934 C CA . GLY A 1 117 ? -0.124 2.388 14.317 1.00 93.69 117 A 1 ATOM 935 C C . GLY A 1 117 ? 0.392 2.157 12.897 1.00 93.76 117 A 1 ATOM 936 O O . GLY A 1 117 ? -0.027 2.861 11.986 1.00 92.92 117 A 1 ATOM 937 N N . GLU A 1 118 ? 1.200 1.109 12.682 1.00 92.34 118 A 1 ATOM 938 C CA . GLU A 1 118 ? 1.709 0.757 11.346 1.00 92.27 118 A 1 ATOM 939 C C . GLU A 1 118 ? 0.573 0.467 10.352 1.00 92.46 118 A 1 ATOM 940 O O . GLU A 1 118 ? 0.618 0.913 9.207 1.00 91.31 118 A 1 ATOM 941 C CB . GLU A 1 118 ? 2.606 -0.485 11.438 1.00 91.91 118 A 1 ATOM 942 C CG . GLU A 1 118 ? 3.969 -0.221 12.104 1.00 87.71 118 A 1 ATOM 943 C CD . GLU A 1 118 ? 4.648 -1.544 12.490 1.00 84.10 118 A 1 ATOM 944 O OE1 . GLU A 1 118 ? 5.774 -1.810 12.032 1.00 76.62 118 A 1 ATOM 945 O OE2 . GLU A 1 118 ? 4.015 -2.309 13.264 1.00 76.88 118 A 1 ATOM 946 N N . VAL A 1 119 ? -0.472 -0.251 10.785 1.00 93.76 119 A 1 ATOM 947 C CA . VAL A 1 119 ? -1.655 -0.508 9.946 1.00 93.15 119 A 1 ATOM 948 C C . VAL A 1 119 ? -2.375 0.791 9.585 1.00 93.29 119 A 1 ATOM 949 O O . VAL A 1 119 ? -2.771 0.971 8.435 1.00 93.09 119 A 1 ATOM 950 C CB . VAL A 1 119 ? -2.615 -1.487 10.652 1.00 92.87 119 A 1 ATOM 951 C CG1 . VAL A 1 119 ? -3.978 -1.608 9.959 1.00 90.44 119 A 1 ATOM 952 C CG2 . VAL A 1 119 ? -1.994 -2.890 10.693 1.00 90.26 119 A 1 ATOM 953 N N . ALA A 1 120 ? -2.551 1.701 10.542 1.00 93.12 120 A 1 ATOM 954 C CA . ALA A 1 120 ? -3.197 2.986 10.290 1.00 92.10 120 A 1 ATOM 955 C C . ALA A 1 120 ? -2.388 3.857 9.312 1.00 91.82 120 A 1 ATOM 956 O O . ALA A 1 120 ? -2.973 4.444 8.402 1.00 91.20 120 A 1 ATOM 957 C CB . ALA A 1 120 ? -3.427 3.690 11.631 1.00 91.19 120 A 1 ATOM 958 N N . ASP A 1 121 ? -1.059 3.894 9.469 1.00 91.75 121 A 1 ATOM 959 C CA . ASP A 1 121 ? -0.161 4.642 8.583 1.00 91.15 121 A 1 ATOM 960 C C . ASP A 1 121 ? -0.187 4.081 7.153 1.00 90.82 121 A 1 ATOM 961 O O . ASP A 1 121 ? -0.359 4.841 6.200 1.00 90.16 121 A 1 ATOM 962 C CB . ASP A 1 121 ? 1.265 4.642 9.160 1.00 90.82 121 A 1 ATOM 963 C CG . ASP A 1 121 ? 1.423 5.489 10.434 1.00 87.97 121 A 1 ATOM 964 O OD1 . ASP A 1 121 ? 0.610 6.428 10.635 1.00 82.79 121 A 1 ATOM 965 O OD2 . ASP A 1 121 ? 2.383 5.221 11.192 1.00 83.65 121 A 1 ATOM 966 N N . GLN A 1 122 ? -0.135 2.753 6.991 1.00 91.43 122 A 1 ATOM 967 C CA . GLN A 1 122 ? -0.229 2.107 5.677 1.00 90.25 122 A 1 ATOM 968 C C . GLN A 1 122 ? -1.589 2.332 5.009 1.00 89.93 122 A 1 ATOM 969 O O . GLN A 1 122 ? -1.664 2.632 3.816 1.00 89.28 122 A 1 ATOM 970 C CB . GLN A 1 122 ? 0.014 0.602 5.827 1.00 90.48 122 A 1 ATOM 971 C CG . GLN A 1 122 ? 1.494 0.284 6.062 1.00 85.45 122 A 1 ATOM 972 C CD . GLN A 1 122 ? 1.745 -1.204 6.276 1.00 82.57 122 A 1 ATOM 973 O OE1 . GLN A 1 122 ? 0.854 -2.034 6.387 1.00 77.82 122 A 1 ATOM 974 N NE2 . GLN A 1 122 ? 2.995 -1.609 6.336 1.00 71.76 122 A 1 ATOM 975 N N . LEU A 1 123 ? -2.684 2.221 5.766 1.00 90.88 123 A 1 ATOM 976 C CA . LEU A 1 123 ? -4.015 2.527 5.236 1.00 90.10 123 A 1 ATOM 977 C C . LEU A 1 123 ? -4.095 3.975 4.756 1.00 89.21 123 A 1 ATOM 978 O O . LEU A 1 123 ? -4.677 4.239 3.704 1.00 88.30 123 A 1 ATOM 979 C CB . LEU A 1 123 ? -5.077 2.263 6.315 1.00 90.41 123 A 1 ATOM 980 C CG . LEU A 1 123 ? -5.420 0.782 6.545 1.00 89.12 123 A 1 ATOM 981 C CD1 . LEU A 1 123 ? -6.312 0.665 7.784 1.00 86.58 123 A 1 ATOM 982 C CD2 . LEU A 1 123 ? -6.183 0.181 5.362 1.00 87.18 123 A 1 ATOM 983 N N . LYS A 1 124 ? -3.505 4.914 5.508 1.00 90.13 124 A 1 ATOM 984 C CA . LYS A 1 124 ? -3.442 6.319 5.116 1.00 88.13 124 A 1 ATOM 985 C C . LYS A 1 124 ? -2.626 6.507 3.839 1.00 87.38 124 A 1 ATOM 986 O O . LYS A 1 124 ? -3.099 7.185 2.935 1.00 86.65 124 A 1 ATOM 987 C CB . LYS A 1 124 ? -2.897 7.142 6.286 1.00 87.54 124 A 1 ATOM 988 C CG . LYS A 1 124 ? -2.963 8.633 5.962 1.00 79.69 124 A 1 ATOM 989 C CD . LYS A 1 124 ? -2.328 9.450 7.086 1.00 76.60 124 A 1 ATOM 990 C CE . LYS A 1 124 ? -2.283 10.901 6.615 1.00 68.86 124 A 1 ATOM 991 N NZ . LYS A 1 124 ? -1.460 11.722 7.531 1.00 61.14 124 A 1 ATOM 992 N N . GLU A 1 125 ? -1.457 5.867 3.736 1.00 86.10 125 A 1 ATOM 993 C CA . GLU A 1 125 ? -0.622 5.913 2.528 1.00 84.55 125 A 1 ATOM 994 C C . GLU A 1 125 ? -1.390 5.427 1.290 1.00 84.08 125 A 1 ATOM 995 O O . GLU A 1 125 ? -1.447 6.133 0.283 1.00 82.52 125 A 1 ATOM 996 C CB . GLU A 1 125 ? 0.654 5.090 2.776 1.00 84.04 125 A 1 ATOM 997 C CG . GLU A 1 125 ? 1.646 5.173 1.609 1.00 76.11 125 A 1 ATOM 998 C CD . GLU A 1 125 ? 2.966 4.421 1.874 1.00 73.06 125 A 1 ATOM 999 O OE1 . GLU A 1 125 ? 3.872 4.541 1.020 1.00 66.90 125 A 1 ATOM 1000 O OE2 . GLU A 1 125 ? 3.086 3.743 2.920 1.00 67.46 125 A 1 ATOM 1001 N N . PHE A 1 126 ? -2.076 4.279 1.377 1.00 85.80 126 A 1 ATOM 1002 C CA . PHE A 1 126 ? -2.912 3.791 0.275 1.00 84.46 126 A 1 ATOM 1003 C C . PHE A 1 126 ? -4.078 4.730 -0.051 1.00 83.59 126 A 1 ATOM 1004 O O . PHE A 1 126 ? -4.446 4.870 -1.218 1.00 81.79 126 A 1 ATOM 1005 C CB . PHE A 1 126 ? -3.442 2.383 0.596 1.00 84.85 126 A 1 ATOM 1006 C CG . PHE A 1 126 ? -2.393 1.286 0.599 1.00 83.73 126 A 1 ATOM 1007 C CD1 . PHE A 1 126 ? -1.539 1.114 -0.509 1.00 80.47 126 A 1 ATOM 1008 C CD2 . PHE A 1 126 ? -2.285 0.413 1.697 1.00 80.92 126 A 1 ATOM 1009 C CE1 . PHE A 1 126 ? -0.572 0.093 -0.508 1.00 78.49 126 A 1 ATOM 1010 C CE2 . PHE A 1 126 ? -1.320 -0.611 1.696 1.00 79.24 126 A 1 ATOM 1011 C CZ . PHE A 1 126 ? -0.460 -0.768 0.595 1.00 80.79 126 A 1 ATOM 1012 N N . ASN A 1 127 ? -4.668 5.391 0.952 1.00 85.70 127 A 1 ATOM 1013 C CA . ASN A 1 127 ? -5.715 6.383 0.712 1.00 84.05 127 A 1 ATOM 1014 C C . ASN A 1 127 ? -5.177 7.614 -0.026 1.00 83.40 127 A 1 ATOM 1015 O O . ASN A 1 127 ? -5.796 8.064 -0.991 1.00 81.58 127 A 1 ATOM 1016 C CB . ASN A 1 127 ? -6.358 6.767 2.049 1.00 83.01 127 A 1 ATOM 1017 C CG . ASN A 1 127 ? -7.573 7.645 1.813 1.00 80.52 127 A 1 ATOM 1018 O OD1 . ASN A 1 127 ? -8.668 7.153 1.580 1.00 74.11 127 A 1 ATOM 1019 N ND2 . ASN A 1 127 ? -7.414 8.944 1.824 1.00 73.89 127 A 1 ATOM 1020 N N . ASP A 1 128 ? -4.027 8.132 0.404 1.00 83.22 128 A 1 ATOM 1021 C CA . ASP A 1 128 ? -3.412 9.324 -0.180 1.00 82.53 128 A 1 ATOM 1022 C C . ASP A 1 128 ? -2.977 9.049 -1.634 1.00 81.15 128 A 1 ATOM 1023 O O . ASP A 1 128 ? -3.164 9.892 -2.506 1.00 79.07 128 A 1 ATOM 1024 C CB . ASP A 1 128 ? -2.237 9.784 0.708 1.00 82.81 128 A 1 ATOM 1025 C CG . ASP A 1 128 ? -2.631 10.291 2.116 1.00 81.33 128 A 1 ATOM 1026 O OD1 . ASP A 1 128 ? -3.842 10.458 2.405 1.00 78.97 128 A 1 ATOM 1027 O OD2 . ASP A 1 128 ? -1.717 10.539 2.943 1.00 79.96 128 A 1 ATOM 1028 N N . LEU A 1 129 ? -2.480 7.836 -1.924 1.00 81.41 129 A 1 ATOM 1029 C CA . LEU A 1 129 ? -2.162 7.382 -3.286 1.00 78.97 129 A 1 ATOM 1030 C C . LEU A 1 129 ? -3.399 7.252 -4.184 1.00 78.33 129 A 1 ATOM 1031 O O . LEU A 1 129 ? -3.309 7.485 -5.386 1.00 75.73 129 A 1 ATOM 1032 C CB . LEU A 1 129 ? -1.444 6.022 -3.218 1.00 78.35 129 A 1 ATOM 1033 C CG . LEU A 1 129 ? 0.001 6.073 -2.691 1.00 73.11 129 A 1 ATOM 1034 C CD1 . LEU A 1 129 ? 0.510 4.643 -2.498 1.00 70.97 129 A 1 ATOM 1035 C CD2 . LEU A 1 129 ? 0.939 6.790 -3.666 1.00 70.59 129 A 1 ATOM 1036 N N . ARG A 1 130 ? -4.544 6.865 -3.629 1.00 78.25 130 A 1 ATOM 1037 C CA . ARG A 1 130 ? -5.812 6.775 -4.372 1.00 76.07 130 A 1 ATOM 1038 C C . ARG A 1 130 ? -6.339 8.153 -4.761 1.00 73.72 130 A 1 ATOM 1039 O O . ARG A 1 130 ? -6.916 8.311 -5.837 1.00 70.48 130 A 1 ATOM 1040 C CB . ARG A 1 130 ? -6.834 6.023 -3.508 1.00 74.76 130 A 1 ATOM 1041 C CG . ARG A 1 130 ? -8.170 5.792 -4.226 1.00 70.84 130 A 1 ATOM 1042 C CD . ARG A 1 130 ? -9.271 5.400 -3.239 1.00 70.41 130 A 1 ATOM 1043 N NE . ARG A 1 130 ? -9.620 6.541 -2.379 1.00 65.14 130 A 1 ATOM 1044 C CZ . ARG A 1 130 ? -10.420 6.534 -1.337 1.00 61.09 130 A 1 ATOM 1045 N NH1 . ARG A 1 130 ? -11.064 5.463 -0.966 1.00 57.91 130 A 1 ATOM 1046 N NH2 . ARG A 1 130 ? -10.563 7.628 -0.642 1.00 54.56 130 A 1 ATOM 1047 N N . ASP A 1 131 ? -6.189 9.120 -3.853 1.00 77.47 131 A 1 ATOM 1048 C CA . ASP A 1 131 ? -6.774 10.456 -3.984 1.00 76.77 131 A 1 ATOM 1049 C C . ASP A 1 131 ? -5.846 11.442 -4.741 1.00 74.99 131 A 1 ATOM 1050 O O . ASP A 1 131 ? -6.267 12.562 -5.032 1.00 69.89 131 A 1 ATOM 1051 C CB . ASP A 1 131 ? -7.190 10.956 -2.582 1.00 74.21 131 A 1 ATOM 1052 C CG . ASP A 1 131 ? -8.316 10.139 -1.892 1.00 71.78 131 A 1 ATOM 1053 O OD1 . ASP A 1 131 ? -9.017 9.327 -2.550 1.00 70.23 131 A 1 ATOM 1054 O OD2 . ASP A 1 131 ? -8.532 10.303 -0.667 1.00 70.52 131 A 1 ATOM 1055 N N . ALA A 1 132 ? -4.607 11.036 -5.067 1.00 77.42 132 A 1 ATOM 1056 C CA . ALA A 1 132 ? -3.610 11.794 -5.846 1.00 75.93 132 A 1 ATOM 1057 C C . ALA A 1 132 ? -3.819 11.695 -7.367 1.00 72.63 132 A 1 ATOM 1058 O O . ALA A 1 132 ? -3.607 12.729 -8.050 1.00 66.02 132 A 1 ATOM 1059 C CB . ALA A 1 132 ? -2.215 11.280 -5.447 1.00 70.51 132 A 1 ATOM 1060 O OXT . ALA A 1 132 ? -4.146 10.596 -7.847 1.00 63.59 132 A 1 #