# 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_orf83 # _entry.id orf83 # 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 LEU 2 1 n LEU 3 1 n VAL 4 1 n VAL 5 1 n THR 6 1 n GLY 7 1 n GLY 8 1 n ARG 9 1 n ASP 10 1 n PHE 11 1 n LYS 12 1 n HIS 13 1 n ALA 14 1 n GLU 15 1 n TYR 16 1 n ILE 17 1 n TYR 18 1 n ALA 19 1 n GLN 20 1 n LEU 21 1 n ASP 22 1 n LYS 23 1 n LEU 24 1 n HIS 25 1 n MET 26 1 n GLN 27 1 n ARG 28 1 n ARG 29 1 n ILE 30 1 n THR 31 1 n THR 32 1 n LEU 33 1 n ARG 34 1 n HIS 35 1 n GLY 36 1 n ASP 37 1 n ALA 38 1 n ASP 39 1 n GLY 40 1 n VAL 41 1 n ASP 42 1 n ARG 43 1 n ILE 44 1 n CYS 45 1 n ALA 46 1 n GLN 47 1 n TRP 48 1 n ALA 49 1 n GLU 50 1 n ARG 51 1 n ASN 52 1 n GLY 53 1 n ILE 54 1 n LYS 55 1 n THR 56 1 n GLU 57 1 n ALA 58 1 n PHE 59 1 n PRO 60 1 n ALA 61 1 n PRO 62 1 n TRP 63 1 n ASP 64 1 n ASN 65 1 n LEU 66 1 n SER 67 1 n LEU 68 1 n PRO 69 1 n ASN 70 1 n THR 71 1 n LYS 72 1 n ILE 73 1 n ARG 74 1 n TYR 75 1 n ASN 76 1 n ALA 77 1 n LYS 78 1 n GLY 79 1 n ALA 80 1 n TYR 81 1 n ASN 82 1 n ALA 83 1 n GLN 84 1 n ALA 85 1 n GLY 86 1 n ALA 87 1 n TYR 88 1 n ARG 89 1 n ASN 90 1 n GLN 91 1 n LEU 92 1 n MET 93 1 n LEU 94 1 n ASN 95 1 n THR 96 1 n ASP 97 1 n PRO 98 1 n LYS 99 1 n PRO 100 1 n ASP 101 1 n HIS 102 1 n ALA 103 1 n ILE 104 1 n VAL 105 1 n PHE 106 1 n PRO 107 1 n GLY 108 1 n GLY 109 1 n ALA 110 1 n GLY 111 1 n THR 112 1 n MET 113 1 n ASP 114 1 n MET 115 1 n TYR 116 1 n ARG 117 1 n ARG 118 1 n ILE 119 1 n LYS 120 1 n ALA 121 1 n SER 122 1 n GLY 123 1 n ILE 124 1 n PRO 125 1 n TYR 126 1 n THR 127 1 n LEU 128 1 n ALA 129 1 n GLU 130 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:08:10)" _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 95.31 _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 96.25 1 1 A LEU 2 2 98.00 1 2 A LEU 3 2 98.49 1 3 A VAL 4 2 97.26 1 4 A VAL 5 2 97.67 1 5 A THR 6 2 97.76 1 6 A GLY 7 2 98.01 1 7 A GLY 8 2 97.71 1 8 A ARG 9 2 89.41 1 9 A ASP 10 2 94.34 1 10 A PHE 11 2 96.59 1 11 A LYS 12 2 92.31 1 12 A HIS 13 2 90.34 1 13 A ALA 14 2 97.90 1 14 A GLU 15 2 90.64 1 15 A TYR 16 2 95.95 1 16 A ILE 17 2 98.30 1 17 A TYR 18 2 96.65 1 18 A ALA 19 2 98.48 1 19 A GLN 20 2 96.39 1 20 A LEU 21 2 98.39 1 21 A ASP 22 2 97.82 1 22 A LYS 23 2 91.02 1 23 A LEU 24 2 95.59 1 24 A HIS 25 2 97.08 1 25 A MET 26 2 91.12 1 26 A GLN 27 2 92.46 1 27 A ARG 28 2 81.89 1 28 A ARG 29 2 82.58 1 29 A ILE 30 2 98.45 1 30 A THR 31 2 98.04 1 31 A THR 32 2 98.29 1 32 A LEU 33 2 98.04 1 33 A ARG 34 2 97.92 1 34 A HIS 35 2 97.32 1 35 A GLY 36 2 97.02 1 36 A ASP 37 2 94.95 1 37 A ALA 38 2 96.39 1 38 A ASP 39 2 91.04 1 39 A GLY 40 2 97.53 1 40 A VAL 41 2 98.22 1 41 A ASP 42 2 97.17 1 42 A ARG 43 2 87.22 1 43 A ILE 44 2 98.05 1 44 A CYS 45 2 98.56 1 45 A ALA 46 2 98.41 1 46 A GLN 47 2 94.08 1 47 A TRP 48 2 98.48 1 48 A ALA 49 2 98.41 1 49 A GLU 50 2 90.98 1 50 A ARG 51 2 86.34 1 51 A ASN 52 2 96.43 1 52 A GLY 53 2 98.20 1 53 A ILE 54 2 97.94 1 54 A LYS 55 2 94.21 1 55 A THR 56 2 96.94 1 56 A GLU 57 2 97.47 1 57 A ALA 58 2 98.59 1 58 A PHE 59 2 98.37 1 59 A PRO 60 2 97.72 1 60 A ALA 61 2 97.83 1 61 A PRO 62 2 97.67 1 62 A TRP 63 2 95.74 1 63 A ASP 64 2 95.01 1 64 A ASN 65 2 97.13 1 65 A LEU 66 2 97.49 1 66 A SER 67 2 96.04 1 67 A LEU 68 2 94.60 1 68 A PRO 69 2 92.15 1 69 A ASN 70 2 89.13 1 70 A THR 71 2 95.14 1 71 A LYS 72 2 90.81 1 72 A ILE 73 2 97.62 1 73 A ARG 74 2 91.08 1 74 A TYR 75 2 97.13 1 75 A ASN 76 2 95.99 1 76 A ALA 77 2 97.47 1 77 A LYS 78 2 91.97 1 78 A GLY 79 2 97.76 1 79 A ALA 80 2 98.25 1 80 A TYR 81 2 97.49 1 81 A ASN 82 2 97.35 1 82 A ALA 83 2 97.21 1 83 A GLN 84 2 91.17 1 84 A ALA 85 2 97.71 1 85 A GLY 86 2 97.32 1 86 A ALA 87 2 97.23 1 87 A TYR 88 2 95.17 1 88 A ARG 89 2 92.30 1 89 A ASN 90 2 96.97 1 90 A GLN 91 2 96.21 1 91 A LEU 92 2 96.03 1 92 A MET 93 2 97.80 1 93 A LEU 94 2 98.32 1 94 A ASN 95 2 96.00 1 95 A THR 96 2 97.75 1 96 A ASP 97 2 94.50 1 97 A PRO 98 2 97.35 1 98 A LYS 99 2 92.90 1 99 A PRO 100 2 98.36 1 100 A ASP 101 2 97.96 1 101 A HIS 102 2 97.46 1 102 A ALA 103 2 98.67 1 103 A ILE 104 2 98.07 1 104 A VAL 105 2 98.41 1 105 A PHE 106 2 98.43 1 106 A PRO 107 2 97.87 1 107 A GLY 108 2 97.52 1 108 A GLY 109 2 97.00 1 109 A ALA 110 2 96.41 1 110 A GLY 111 2 96.41 1 111 A THR 112 2 97.36 1 112 A MET 113 2 90.26 1 113 A ASP 114 2 96.30 1 114 A MET 115 2 97.54 1 115 A TYR 116 2 97.26 1 116 A ARG 117 2 88.02 1 117 A ARG 118 2 96.79 1 118 A ILE 119 2 98.44 1 119 A LYS 120 2 92.37 1 120 A ALA 121 2 97.64 1 121 A SER 122 2 95.56 1 122 A GLY 123 2 97.67 1 123 A ILE 124 2 97.16 1 124 A PRO 125 2 98.06 1 125 A TYR 126 2 98.23 1 126 A THR 127 2 97.76 1 127 A LEU 128 2 96.27 1 128 A ALA 129 2 92.36 1 129 A GLU 130 2 77.12 1 130 # _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 LEU . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n ASP . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n HIS . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n GLN . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n HIS . 25 A 25 A 26 1 n MET . 26 A 26 A 27 1 n GLN . 27 A 27 A 28 1 n ARG . 28 A 28 A 29 1 n ARG . 29 A 29 A 30 1 n ILE . 30 A 30 A 31 1 n THR . 31 A 31 A 32 1 n THR . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n ARG . 34 A 34 A 35 1 n HIS . 35 A 35 A 36 1 n GLY . 36 A 36 A 37 1 n ASP . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n ASP . 39 A 39 A 40 1 n GLY . 40 A 40 A 41 1 n VAL . 41 A 41 A 42 1 n ASP . 42 A 42 A 43 1 n ARG . 43 A 43 A 44 1 n ILE . 44 A 44 A 45 1 n CYS . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n GLN . 47 A 47 A 48 1 n TRP . 48 A 48 A 49 1 n ALA . 49 A 49 A 50 1 n GLU . 50 A 50 A 51 1 n ARG . 51 A 51 A 52 1 n ASN . 52 A 52 A 53 1 n GLY . 53 A 53 A 54 1 n ILE . 54 A 54 A 55 1 n LYS . 55 A 55 A 56 1 n THR . 56 A 56 A 57 1 n GLU . 57 A 57 A 58 1 n ALA . 58 A 58 A 59 1 n PHE . 59 A 59 A 60 1 n PRO . 60 A 60 A 61 1 n ALA . 61 A 61 A 62 1 n PRO . 62 A 62 A 63 1 n TRP . 63 A 63 A 64 1 n ASP . 64 A 64 A 65 1 n ASN . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n SER . 67 A 67 A 68 1 n LEU . 68 A 68 A 69 1 n PRO . 69 A 69 A 70 1 n ASN . 70 A 70 A 71 1 n THR . 71 A 71 A 72 1 n LYS . 72 A 72 A 73 1 n ILE . 73 A 73 A 74 1 n ARG . 74 A 74 A 75 1 n TYR . 75 A 75 A 76 1 n ASN . 76 A 76 A 77 1 n ALA . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n GLY . 79 A 79 A 80 1 n ALA . 80 A 80 A 81 1 n TYR . 81 A 81 A 82 1 n ASN . 82 A 82 A 83 1 n ALA . 83 A 83 A 84 1 n GLN . 84 A 84 A 85 1 n ALA . 85 A 85 A 86 1 n GLY . 86 A 86 A 87 1 n ALA . 87 A 87 A 88 1 n TYR . 88 A 88 A 89 1 n ARG . 89 A 89 A 90 1 n ASN . 90 A 90 A 91 1 n GLN . 91 A 91 A 92 1 n LEU . 92 A 92 A 93 1 n MET . 93 A 93 A 94 1 n LEU . 94 A 94 A 95 1 n ASN . 95 A 95 A 96 1 n THR . 96 A 96 A 97 1 n ASP . 97 A 97 A 98 1 n PRO . 98 A 98 A 99 1 n LYS . 99 A 99 A 100 1 n PRO . 100 A 100 A 101 1 n ASP . 101 A 101 A 102 1 n HIS . 102 A 102 A 103 1 n ALA . 103 A 103 A 104 1 n ILE . 104 A 104 A 105 1 n VAL . 105 A 105 A 106 1 n PHE . 106 A 106 A 107 1 n PRO . 107 A 107 A 108 1 n GLY . 108 A 108 A 109 1 n GLY . 109 A 109 A 110 1 n ALA . 110 A 110 A 111 1 n GLY . 111 A 111 A 112 1 n THR . 112 A 112 A 113 1 n MET . 113 A 113 A 114 1 n ASP . 114 A 114 A 115 1 n MET . 115 A 115 A 116 1 n TYR . 116 A 116 A 117 1 n ARG . 117 A 117 A 118 1 n ARG . 118 A 118 A 119 1 n ILE . 119 A 119 A 120 1 n LYS . 120 A 120 A 121 1 n ALA . 121 A 121 A 122 1 n SER . 122 A 122 A 123 1 n GLY . 123 A 123 A 124 1 n ILE . 124 A 124 A 125 1 n PRO . 125 A 125 A 126 1 n TYR . 126 A 126 A 127 1 n THR . 127 A 127 A 128 1 n LEU . 128 A 128 A 129 1 n ALA . 129 A 129 A 130 1 n GLU . 130 A 130 # _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 ? -16.226 -1.964 -5.102 1.00 96.19 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.526 -0.850 -4.440 1.00 97.97 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.076 -0.791 -4.887 1.00 98.57 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.527 -1.831 -5.232 1.00 98.37 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.617 -0.930 -2.912 1.00 96.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.898 -2.122 -2.268 1.00 95.03 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.128 -2.172 -0.476 1.00 95.20 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.237 -3.693 -0.058 1.00 92.66 1 A 1 ATOM 9 N N . LEU A 1 2 ? -13.460 0.389 -4.846 1.00 98.74 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -12.013 0.543 -4.957 1.00 98.80 2 A 1 ATOM 11 C C . LEU A 1 2 ? -11.405 0.374 -3.561 1.00 98.82 2 A 1 ATOM 12 O O . LEU A 1 2 ? -11.681 1.166 -2.658 1.00 98.61 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -11.693 1.890 -5.623 1.00 98.67 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -10.206 2.072 -5.996 1.00 97.89 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -10.089 3.149 -7.075 1.00 96.40 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -9.321 2.522 -4.837 1.00 96.03 2 A 1 ATOM 17 N N . LEU A 1 3 ? -10.606 -0.675 -3.386 1.00 98.77 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -9.910 -0.989 -2.141 1.00 98.80 3 A 1 ATOM 19 C C . LEU A 1 3 ? -8.452 -0.543 -2.241 1.00 98.84 3 A 1 ATOM 20 O O . LEU A 1 3 ? -7.757 -0.948 -3.169 1.00 98.70 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -10.024 -2.503 -1.880 1.00 98.72 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -9.379 -2.959 -0.555 1.00 98.36 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -10.158 -2.444 0.660 1.00 97.83 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -9.341 -4.482 -0.484 1.00 97.92 3 A 1 ATOM 25 N N . VAL A 1 4 ? -7.963 0.232 -1.275 1.00 98.81 4 A 1 ATOM 26 C CA . VAL A 1 4 ? -6.520 0.470 -1.125 1.00 98.78 4 A 1 ATOM 27 C C . VAL A 1 4 ? -5.945 -0.447 -0.049 1.00 98.80 4 A 1 ATOM 28 O O . VAL A 1 4 ? -6.538 -0.614 1.017 1.00 98.60 4 A 1 ATOM 29 C CB . VAL A 1 4 ? -6.199 1.964 -0.907 1.00 98.26 4 A 1 ATOM 30 C CG1 . VAL A 1 4 ? -6.699 2.531 0.422 1.00 94.33 4 A 1 ATOM 31 C CG2 . VAL A 1 4 ? -4.697 2.227 -1.012 1.00 93.27 4 A 1 ATOM 32 N N . VAL A 1 5 ? -4.788 -1.050 -0.319 1.00 98.71 5 A 1 ATOM 33 C CA . VAL A 1 5 ? -4.125 -1.974 0.611 1.00 98.66 5 A 1 ATOM 34 C C . VAL A 1 5 ? -2.796 -1.410 1.107 1.00 98.59 5 A 1 ATOM 35 O O . VAL A 1 5 ? -2.114 -0.671 0.393 1.00 98.25 5 A 1 ATOM 36 C CB . VAL A 1 5 ? -3.973 -3.390 0.025 1.00 98.32 5 A 1 ATOM 37 C CG1 . VAL A 1 5 ? -5.324 -3.918 -0.486 1.00 95.84 5 A 1 ATOM 38 C CG2 . VAL A 1 5 ? -2.955 -3.478 -1.116 1.00 95.35 5 A 1 ATOM 39 N N . THR A 1 6 ? -2.419 -1.751 2.329 1.00 98.57 6 A 1 ATOM 40 C CA . THR A 1 6 ? -1.094 -1.449 2.889 1.00 98.53 6 A 1 ATOM 41 C C . THR A 1 6 ? -0.689 -2.497 3.921 1.00 98.55 6 A 1 ATOM 42 O O . THR A 1 6 ? -1.531 -3.034 4.638 1.00 98.17 6 A 1 ATOM 43 C CB . THR A 1 6 ? -1.046 -0.037 3.498 1.00 98.17 6 A 1 ATOM 44 O OG1 . THR A 1 6 ? 0.279 0.309 3.848 1.00 96.15 6 A 1 ATOM 45 C CG2 . THR A 1 6 ? -1.910 0.145 4.748 1.00 96.16 6 A 1 ATOM 46 N N . GLY A 1 7 ? 0.606 -2.769 4.011 1.00 98.28 7 A 1 ATOM 47 C CA . GLY A 1 7 ? 1.158 -3.729 4.953 1.00 98.21 7 A 1 ATOM 48 C C . GLY A 1 7 ? 2.676 -3.867 4.855 1.00 98.15 7 A 1 ATOM 49 O O . GLY A 1 7 ? 3.347 -3.178 4.081 1.00 97.41 7 A 1 ATOM 50 N N . GLY A 1 8 ? 3.233 -4.740 5.675 1.00 97.82 8 A 1 ATOM 51 C CA . GLY A 1 8 ? 4.674 -4.947 5.771 1.00 97.74 8 A 1 ATOM 52 C C . GLY A 1 8 ? 5.264 -5.714 4.586 1.00 97.96 8 A 1 ATOM 53 O O . GLY A 1 8 ? 4.643 -6.614 4.027 1.00 97.32 8 A 1 ATOM 54 N N . ARG A 1 9 ? 6.509 -5.392 4.251 1.00 97.61 9 A 1 ATOM 55 C CA . ARG A 1 9 ? 7.290 -6.134 3.238 1.00 97.34 9 A 1 ATOM 56 C C . ARG A 1 9 ? 7.639 -7.556 3.685 1.00 97.63 9 A 1 ATOM 57 O O . ARG A 1 9 ? 7.794 -8.439 2.851 1.00 96.44 9 A 1 ATOM 58 C CB . ARG A 1 9 ? 8.579 -5.369 2.898 1.00 96.21 9 A 1 ATOM 59 C CG . ARG A 1 9 ? 8.291 -4.041 2.188 1.00 93.72 9 A 1 ATOM 60 C CD . ARG A 1 9 ? 9.601 -3.341 1.828 1.00 90.35 9 A 1 ATOM 61 N NE . ARG A 1 9 ? 9.349 -2.068 1.125 1.00 85.10 9 A 1 ATOM 62 C CZ . ARG A 1 9 ? 10.265 -1.243 0.654 1.00 81.36 9 A 1 ATOM 63 N NH1 . ARG A 1 9 ? 11.545 -1.481 0.789 1.00 73.92 9 A 1 ATOM 64 N NH2 . ARG A 1 9 ? 9.909 -0.157 0.030 1.00 73.86 9 A 1 ATOM 65 N N . ASP A 1 10 ? 7.722 -7.755 4.993 1.00 97.14 10 A 1 ATOM 66 C CA . ASP A 1 10 ? 8.063 -9.042 5.609 1.00 97.13 10 A 1 ATOM 67 C C . ASP A 1 10 ? 6.819 -9.838 6.034 1.00 97.62 10 A 1 ATOM 68 O O . ASP A 1 10 ? 6.925 -11.008 6.393 1.00 96.57 10 A 1 ATOM 69 C CB . ASP A 1 10 ? 9.029 -8.796 6.780 1.00 96.39 10 A 1 ATOM 70 C CG . ASP A 1 10 ? 10.260 -8.001 6.332 1.00 93.61 10 A 1 ATOM 71 O OD1 . ASP A 1 10 ? 10.853 -8.373 5.297 1.00 88.54 10 A 1 ATOM 72 O OD2 . ASP A 1 10 ? 10.528 -6.955 6.972 1.00 87.70 10 A 1 ATOM 73 N N . PHE A 1 11 ? 5.625 -9.235 5.954 1.00 96.83 11 A 1 ATOM 74 C CA . PHE A 1 11 ? 4.369 -9.923 6.243 1.00 96.99 11 A 1 ATOM 75 C C . PHE A 1 11 ? 3.923 -10.721 5.010 1.00 97.19 11 A 1 ATOM 76 O O . PHE A 1 11 ? 3.291 -10.195 4.096 1.00 96.62 11 A 1 ATOM 77 C CB . PHE A 1 11 ? 3.328 -8.911 6.734 1.00 96.94 11 A 1 ATOM 78 C CG . PHE A 1 11 ? 2.132 -9.578 7.381 1.00 97.33 11 A 1 ATOM 79 C CD1 . PHE A 1 11 ? 0.977 -9.864 6.631 1.00 96.28 11 A 1 ATOM 80 C CD2 . PHE A 1 11 ? 2.179 -9.930 8.744 1.00 96.50 11 A 1 ATOM 81 C CE1 . PHE A 1 11 ? -0.127 -10.488 7.240 1.00 95.62 11 A 1 ATOM 82 C CE2 . PHE A 1 11 ? 1.076 -10.554 9.353 1.00 95.88 11 A 1 ATOM 83 C CZ . PHE A 1 11 ? -0.080 -10.830 8.602 1.00 96.35 11 A 1 ATOM 84 N N . LYS A 1 12 ? 4.281 -11.998 4.973 1.00 97.00 12 A 1 ATOM 85 C CA . LYS A 1 12 ? 4.107 -12.885 3.805 1.00 96.53 12 A 1 ATOM 86 C C . LYS A 1 12 ? 3.077 -14.005 4.031 1.00 96.96 12 A 1 ATOM 87 O O . LYS A 1 12 ? 3.113 -15.024 3.351 1.00 95.62 12 A 1 ATOM 88 C CB . LYS A 1 12 ? 5.478 -13.412 3.342 1.00 95.52 12 A 1 ATOM 89 C CG . LYS A 1 12 ? 6.392 -12.279 2.845 1.00 94.69 12 A 1 ATOM 90 C CD . LYS A 1 12 ? 7.739 -12.824 2.355 1.00 90.81 12 A 1 ATOM 91 C CE . LYS A 1 12 ? 8.626 -11.653 1.926 1.00 86.66 12 A 1 ATOM 92 N NZ . LYS A 1 12 ? 9.974 -12.095 1.499 1.00 76.97 12 A 1 ATOM 93 N N . HIS A 1 13 ? 2.141 -13.822 4.956 1.00 97.13 13 A 1 ATOM 94 C CA . HIS A 1 13 ? 1.091 -14.796 5.272 1.00 97.26 13 A 1 ATOM 95 C C . HIS A 1 13 ? -0.030 -14.769 4.217 1.00 97.89 13 A 1 ATOM 96 O O . HIS A 1 13 ? -1.104 -14.213 4.444 1.00 97.56 13 A 1 ATOM 97 C CB . HIS A 1 13 ? 0.576 -14.541 6.696 1.00 96.12 13 A 1 ATOM 98 C CG . HIS A 1 13 ? 1.659 -14.659 7.739 1.00 92.87 13 A 1 ATOM 99 N ND1 . HIS A 1 13 ? 2.208 -15.829 8.215 1.00 80.73 13 A 1 ATOM 100 C CD2 . HIS A 1 13 ? 2.317 -13.628 8.356 1.00 79.84 13 A 1 ATOM 101 C CE1 . HIS A 1 13 ? 3.168 -15.506 9.099 1.00 80.91 13 A 1 ATOM 102 N NE2 . HIS A 1 13 ? 3.272 -14.177 9.213 1.00 83.08 13 A 1 ATOM 103 N N . ALA A 1 14 ? 0.227 -15.350 3.034 1.00 97.74 14 A 1 ATOM 104 C CA . ALA A 1 14 ? -0.672 -15.256 1.880 1.00 97.94 14 A 1 ATOM 105 C C . ALA A 1 14 ? -2.090 -15.783 2.165 1.00 98.24 14 A 1 ATOM 106 O O . ALA A 1 14 ? -3.059 -15.105 1.836 1.00 98.05 14 A 1 ATOM 107 C CB . ALA A 1 14 ? -0.033 -15.989 0.695 1.00 97.54 14 A 1 ATOM 108 N N . GLU A 1 15 ? -2.223 -16.942 2.820 1.00 98.01 15 A 1 ATOM 109 C CA . GLU A 1 15 ? -3.529 -17.522 3.166 1.00 97.98 15 A 1 ATOM 110 C C . GLU A 1 15 ? -4.363 -16.579 4.037 1.00 98.24 15 A 1 ATOM 111 O O . GLU A 1 15 ? -5.539 -16.341 3.761 1.00 98.08 15 A 1 ATOM 112 C CB . GLU A 1 15 ? -3.329 -18.850 3.912 1.00 97.57 15 A 1 ATOM 113 C CG . GLU A 1 15 ? -2.682 -19.928 3.026 1.00 89.34 15 A 1 ATOM 114 C CD . GLU A 1 15 ? -2.460 -21.259 3.766 1.00 83.93 15 A 1 ATOM 115 O OE1 . GLU A 1 15 ? -2.061 -22.222 3.072 1.00 75.36 15 A 1 ATOM 116 O OE2 . GLU A 1 15 ? -2.645 -21.292 5.000 1.00 77.26 15 A 1 ATOM 117 N N . TYR A 1 16 ? -3.736 -15.976 5.050 1.00 98.11 16 A 1 ATOM 118 C CA . TYR A 1 16 ? -4.389 -15.001 5.913 1.00 98.21 16 A 1 ATOM 119 C C . TYR A 1 16 ? -4.802 -13.745 5.138 1.00 98.43 16 A 1 ATOM 120 O O . TYR A 1 16 ? -5.941 -13.294 5.248 1.00 98.29 16 A 1 ATOM 121 C CB . TYR A 1 16 ? -3.446 -14.663 7.072 1.00 97.82 16 A 1 ATOM 122 C CG . TYR A 1 16 ? -3.984 -13.551 7.941 1.00 97.04 16 A 1 ATOM 123 C CD1 . TYR A 1 16 ? -3.573 -12.223 7.713 1.00 95.22 16 A 1 ATOM 124 C CD2 . TYR A 1 16 ? -4.942 -13.843 8.928 1.00 95.79 16 A 1 ATOM 125 C CE1 . TYR A 1 16 ? -4.118 -11.184 8.480 1.00 93.49 16 A 1 ATOM 126 C CE2 . TYR A 1 16 ? -5.490 -12.807 9.696 1.00 93.69 16 A 1 ATOM 127 C CZ . TYR A 1 16 ? -5.078 -11.475 9.472 1.00 93.39 16 A 1 ATOM 128 O OH . TYR A 1 16 ? -5.609 -10.475 10.204 1.00 91.94 16 A 1 ATOM 129 N N . ILE A 1 17 ? -3.903 -13.194 4.324 1.00 98.45 17 A 1 ATOM 130 C CA . ILE A 1 17 ? -4.184 -12.016 3.492 1.00 98.54 17 A 1 ATOM 131 C C . ILE A 1 17 ? -5.368 -12.298 2.561 1.00 98.60 17 A 1 ATOM 132 O O . ILE A 1 17 ? -6.282 -11.481 2.471 1.00 98.59 17 A 1 ATOM 133 C CB . ILE A 1 17 ? -2.910 -11.588 2.720 1.00 98.55 17 A 1 ATOM 134 C CG1 . ILE A 1 17 ? -1.859 -11.023 3.712 1.00 98.19 17 A 1 ATOM 135 C CG2 . ILE A 1 17 ? -3.227 -10.538 1.642 1.00 98.19 17 A 1 ATOM 136 C CD1 . ILE A 1 17 ? -0.452 -10.869 3.116 1.00 97.28 17 A 1 ATOM 137 N N . TYR A 1 18 ? -5.392 -13.463 1.917 1.00 98.60 18 A 1 ATOM 138 C CA . TYR A 1 18 ? -6.463 -13.863 1.008 1.00 98.65 18 A 1 ATOM 139 C C . TYR A 1 18 ? -7.793 -13.985 1.754 1.00 98.66 18 A 1 ATOM 140 O O . TYR A 1 18 ? -8.773 -13.379 1.327 1.00 98.50 18 A 1 ATOM 141 C CB . TYR A 1 18 ? -6.093 -15.172 0.296 1.00 98.51 18 A 1 ATOM 142 C CG . TYR A 1 18 ? -5.049 -15.088 -0.809 1.00 98.13 18 A 1 ATOM 143 C CD1 . TYR A 1 18 ? -4.161 -13.996 -0.937 1.00 95.82 18 A 1 ATOM 144 C CD2 . TYR A 1 18 ? -4.983 -16.145 -1.735 1.00 95.79 18 A 1 ATOM 145 C CE1 . TYR A 1 18 ? -3.217 -13.955 -1.980 1.00 94.36 18 A 1 ATOM 146 C CE2 . TYR A 1 18 ? -4.041 -16.111 -2.781 1.00 94.70 18 A 1 ATOM 147 C CZ . TYR A 1 18 ? -3.156 -15.016 -2.904 1.00 95.03 18 A 1 ATOM 148 O OH . TYR A 1 18 ? -2.254 -14.982 -3.919 1.00 93.04 18 A 1 ATOM 149 N N . ALA A 1 19 ? -7.812 -14.640 2.916 1.00 98.57 19 A 1 ATOM 150 C CA . ALA A 1 19 ? -9.017 -14.765 3.735 1.00 98.52 19 A 1 ATOM 151 C C . ALA A 1 19 ? -9.611 -13.400 4.143 1.00 98.56 19 A 1 ATOM 152 O O . ALA A 1 19 ? -10.832 -13.219 4.132 1.00 98.37 19 A 1 ATOM 153 C CB . ALA A 1 19 ? -8.670 -15.614 4.965 1.00 98.37 19 A 1 ATOM 154 N N . GLN A 1 20 ? -8.768 -12.415 4.473 1.00 98.60 20 A 1 ATOM 155 C CA . GLN A 1 20 ? -9.244 -11.060 4.785 1.00 98.59 20 A 1 ATOM 156 C C . GLN A 1 20 ? -9.825 -10.352 3.552 1.00 98.63 20 A 1 ATOM 157 O O . GLN A 1 20 ? -10.865 -9.688 3.651 1.00 98.45 20 A 1 ATOM 158 C CB . GLN A 1 20 ? -8.114 -10.208 5.393 1.00 98.48 20 A 1 ATOM 159 C CG . GLN A 1 20 ? -7.598 -10.704 6.753 1.00 97.58 20 A 1 ATOM 160 C CD . GLN A 1 20 ? -8.690 -10.905 7.791 1.00 97.00 20 A 1 ATOM 161 O OE1 . GLN A 1 20 ? -9.590 -10.097 7.980 1.00 91.33 20 A 1 ATOM 162 N NE2 . GLN A 1 20 ? -8.668 -12.016 8.495 1.00 88.86 20 A 1 ATOM 163 N N . LEU A 1 21 ? -9.193 -10.500 2.392 1.00 98.58 21 A 1 ATOM 164 C CA . LEU A 1 21 ? -9.688 -9.934 1.135 1.00 98.63 21 A 1 ATOM 165 C C . LEU A 1 21 ? -10.992 -10.611 0.685 1.00 98.63 21 A 1 ATOM 166 O O . LEU A 1 21 ? -11.929 -9.907 0.308 1.00 98.57 21 A 1 ATOM 167 C CB . LEU A 1 21 ? -8.604 -10.044 0.055 1.00 98.69 21 A 1 ATOM 168 C CG . LEU A 1 21 ? -7.361 -9.163 0.294 1.00 98.32 21 A 1 ATOM 169 C CD1 . LEU A 1 21 ? -6.307 -9.493 -0.759 1.00 97.94 21 A 1 ATOM 170 C CD2 . LEU A 1 21 ? -7.669 -7.669 0.205 1.00 97.80 21 A 1 ATOM 171 N N . ASP A 1 22 ? -11.094 -11.941 0.797 1.00 98.64 22 A 1 ATOM 172 C CA . ASP A 1 22 ? -12.311 -12.701 0.488 1.00 98.53 22 A 1 ATOM 173 C C . ASP A 1 22 ? -13.479 -12.253 1.371 1.00 98.48 22 A 1 ATOM 174 O O . ASP A 1 22 ? -14.579 -11.990 0.880 1.00 98.19 22 A 1 ATOM 175 C CB . ASP A 1 22 ? -12.065 -14.211 0.680 1.00 98.41 22 A 1 ATOM 176 C CG . ASP A 1 22 ? -11.143 -14.830 -0.376 1.00 97.99 22 A 1 ATOM 177 O OD1 . ASP A 1 22 ? -11.100 -14.291 -1.506 1.00 96.10 22 A 1 ATOM 178 O OD2 . ASP A 1 22 ? -10.504 -15.853 -0.047 1.00 96.22 22 A 1 ATOM 179 N N . LYS A 1 23 ? -13.233 -12.073 2.674 1.00 98.46 23 A 1 ATOM 180 C CA . LYS A 1 23 ? -14.232 -11.560 3.619 1.00 98.22 23 A 1 ATOM 181 C C . LYS A 1 23 ? -14.751 -10.181 3.205 1.00 98.31 23 A 1 ATOM 182 O O . LYS A 1 23 ? -15.964 -9.972 3.177 1.00 97.86 23 A 1 ATOM 183 C CB . LYS A 1 23 ? -13.620 -11.552 5.027 1.00 97.68 23 A 1 ATOM 184 C CG . LYS A 1 23 ? -14.618 -11.089 6.099 1.00 89.21 23 A 1 ATOM 185 C CD . LYS A 1 23 ? -13.930 -11.089 7.470 1.00 87.72 23 A 1 ATOM 186 C CE . LYS A 1 23 ? -14.876 -10.576 8.556 1.00 79.15 23 A 1 ATOM 187 N NZ . LYS A 1 23 ? -14.190 -10.525 9.873 1.00 72.57 23 A 1 ATOM 188 N N . LEU A 1 24 ? -13.868 -9.248 2.867 1.00 98.13 24 A 1 ATOM 189 C CA . LEU A 1 24 ? -14.270 -7.920 2.389 1.00 98.05 24 A 1 ATOM 190 C C . LEU A 1 24 ? -14.987 -7.989 1.037 1.00 98.33 24 A 1 ATOM 191 O O . LEU A 1 24 ? -15.991 -7.301 0.838 1.00 98.00 24 A 1 ATOM 192 C CB . LEU A 1 24 ? -13.038 -7.004 2.285 1.00 97.41 24 A 1 ATOM 193 C CG . LEU A 1 24 ? -12.482 -6.516 3.634 1.00 93.06 24 A 1 ATOM 194 C CD1 . LEU A 1 24 ? -11.226 -5.688 3.365 1.00 90.65 24 A 1 ATOM 195 C CD2 . LEU A 1 24 ? -13.475 -5.626 4.388 1.00 91.13 24 A 1 ATOM 196 N N . HIS A 1 25 ? -14.509 -8.828 0.123 1.00 98.11 25 A 1 ATOM 197 C CA . HIS A 1 25 ? -15.086 -9.004 -1.207 1.00 98.21 25 A 1 ATOM 198 C C . HIS A 1 25 ? -16.513 -9.565 -1.150 1.00 98.17 25 A 1 ATOM 199 O O . HIS A 1 25 ? -17.385 -9.096 -1.886 1.00 97.76 25 A 1 ATOM 200 C CB . HIS A 1 25 ? -14.162 -9.903 -2.038 1.00 98.11 25 A 1 ATOM 201 C CG . HIS A 1 25 ? -14.591 -9.983 -3.482 1.00 98.34 25 A 1 ATOM 202 N ND1 . HIS A 1 25 ? -14.451 -8.981 -4.416 1.00 94.95 25 A 1 ATOM 203 C CD2 . HIS A 1 25 ? -15.205 -11.029 -4.111 1.00 95.47 25 A 1 ATOM 204 C CE1 . HIS A 1 25 ? -14.960 -9.426 -5.578 1.00 95.60 25 A 1 ATOM 205 N NE2 . HIS A 1 25 ? -15.439 -10.668 -5.440 1.00 96.11 25 A 1 ATOM 206 N N . MET A 1 26 ? -16.785 -10.514 -0.230 1.00 98.23 26 A 1 ATOM 207 C CA . MET A 1 26 ? -18.135 -11.038 0.027 1.00 97.91 26 A 1 ATOM 208 C C . MET A 1 26 ? -19.076 -9.980 0.615 1.00 97.68 26 A 1 ATOM 209 O O . MET A 1 26 ? -20.247 -9.937 0.259 1.00 96.60 26 A 1 ATOM 210 C CB . MET A 1 26 ? -18.058 -12.233 0.989 1.00 97.48 26 A 1 ATOM 211 C CG . MET A 1 26 ? -17.495 -13.494 0.327 1.00 88.97 26 A 1 ATOM 212 S SD . MET A 1 26 ? -17.591 -14.972 1.379 1.00 82.05 26 A 1 ATOM 213 C CE . MET A 1 26 ? -16.396 -14.559 2.676 1.00 70.07 26 A 1 ATOM 214 N N . GLN A 1 27 ? -18.581 -9.112 1.497 1.00 97.80 27 A 1 ATOM 215 C CA . GLN A 1 27 ? -19.387 -8.038 2.095 1.00 97.00 27 A 1 ATOM 216 C C . GLN A 1 27 ? -19.712 -6.929 1.091 1.00 96.76 27 A 1 ATOM 217 O O . GLN A 1 27 ? -20.829 -6.407 1.049 1.00 94.91 27 A 1 ATOM 218 C CB . GLN A 1 27 ? -18.627 -7.434 3.283 1.00 96.28 27 A 1 ATOM 219 C CG . GLN A 1 27 ? -18.582 -8.382 4.489 1.00 93.31 27 A 1 ATOM 220 C CD . GLN A 1 27 ? -17.702 -7.840 5.615 1.00 90.34 27 A 1 ATOM 221 O OE1 . GLN A 1 27 ? -16.952 -6.882 5.490 1.00 84.47 27 A 1 ATOM 222 N NE2 . GLN A 1 27 ? -17.763 -8.435 6.783 1.00 81.28 27 A 1 ATOM 223 N N . ARG A 1 28 ? -18.731 -6.535 0.291 1.00 96.00 28 A 1 ATOM 224 C CA . ARG A 1 28 ? -18.877 -5.525 -0.759 1.00 95.42 28 A 1 ATOM 225 C C . ARG A 1 28 ? -17.884 -5.823 -1.877 1.00 96.90 28 A 1 ATOM 226 O O . ARG A 1 28 ? -16.683 -5.668 -1.688 1.00 96.09 28 A 1 ATOM 227 C CB . ARG A 1 28 ? -18.675 -4.121 -0.158 1.00 93.13 28 A 1 ATOM 228 C CG . ARG A 1 28 ? -18.924 -3.003 -1.188 1.00 82.90 28 A 1 ATOM 229 C CD . ARG A 1 28 ? -18.759 -1.613 -0.554 1.00 80.16 28 A 1 ATOM 230 N NE . ARG A 1 28 ? -18.857 -0.531 -1.560 1.00 72.44 28 A 1 ATOM 231 C CZ . ARG A 1 28 ? -18.490 0.737 -1.416 1.00 67.10 28 A 1 ATOM 232 N NH1 . ARG A 1 28 ? -18.066 1.215 -0.282 1.00 64.13 28 A 1 ATOM 233 N NH2 . ARG A 1 28 ? -18.526 1.562 -2.418 1.00 56.50 28 A 1 ATOM 234 N N . ARG A 1 29 ? -18.401 -6.188 -3.050 1.00 97.95 29 A 1 ATOM 235 C CA . ARG A 1 29 ? -17.585 -6.568 -4.211 1.00 98.29 29 A 1 ATOM 236 C C . ARG A 1 29 ? -16.455 -5.567 -4.481 1.00 98.58 29 A 1 ATOM 237 O O . ARG A 1 29 ? -16.713 -4.400 -4.793 1.00 98.11 29 A 1 ATOM 238 C CB . ARG A 1 29 ? -18.497 -6.757 -5.436 1.00 97.67 29 A 1 ATOM 239 C CG . ARG A 1 29 ? -17.734 -7.343 -6.634 1.00 88.12 29 A 1 ATOM 240 C CD . ARG A 1 29 ? -18.674 -7.609 -7.814 1.00 80.66 29 A 1 ATOM 241 N NE . ARG A 1 29 ? -17.934 -8.155 -8.969 1.00 72.35 29 A 1 ATOM 242 C CZ . ARG A 1 29 ? -18.432 -8.451 -10.162 1.00 62.86 29 A 1 ATOM 243 N NH1 . ARG A 1 29 ? -19.693 -8.276 -10.451 1.00 57.25 29 A 1 ATOM 244 N NH2 . ARG A 1 29 ? -17.661 -8.935 -11.097 1.00 56.55 29 A 1 ATOM 245 N N . ILE A 1 30 ? -15.213 -6.042 -4.384 1.00 98.53 30 A 1 ATOM 246 C CA . ILE A 1 30 ? -14.022 -5.291 -4.783 1.00 98.65 30 A 1 ATOM 247 C C . ILE A 1 30 ? -13.943 -5.334 -6.313 1.00 98.67 30 A 1 ATOM 248 O O . ILE A 1 30 ? -13.986 -6.402 -6.912 1.00 98.51 30 A 1 ATOM 249 C CB . ILE A 1 30 ? -12.751 -5.858 -4.103 1.00 98.67 30 A 1 ATOM 250 C CG1 . ILE A 1 30 ? -12.868 -5.820 -2.557 1.00 98.34 30 A 1 ATOM 251 C CG2 . ILE A 1 30 ? -11.507 -5.069 -4.555 1.00 98.38 30 A 1 ATOM 252 C CD1 . ILE A 1 30 ? -11.846 -6.715 -1.837 1.00 97.87 30 A 1 ATOM 253 N N . THR A 1 31 ? -13.876 -4.173 -6.945 1.00 98.76 31 A 1 ATOM 254 C CA . THR A 1 31 ? -13.769 -4.038 -8.408 1.00 98.67 31 A 1 ATOM 255 C C . THR A 1 31 ? -12.384 -3.576 -8.843 1.00 98.71 31 A 1 ATOM 256 O O . THR A 1 31 ? -11.980 -3.823 -9.974 1.00 98.43 31 A 1 ATOM 257 C CB . THR A 1 31 ? -14.814 -3.057 -8.956 1.00 98.45 31 A 1 ATOM 258 O OG1 . THR A 1 31 ? -14.719 -1.806 -8.306 1.00 97.10 31 A 1 ATOM 259 C CG2 . THR A 1 31 ? -16.241 -3.567 -8.752 1.00 96.17 31 A 1 ATOM 260 N N . THR A 1 32 ? -11.668 -2.907 -7.944 1.00 98.73 32 A 1 ATOM 261 C CA . THR A 1 32 ? -10.306 -2.417 -8.165 1.00 98.79 32 A 1 ATOM 262 C C . THR A 1 32 ? -9.522 -2.532 -6.862 1.00 98.84 32 A 1 ATOM 263 O O . THR A 1 32 ? -10.028 -2.158 -5.802 1.00 98.72 32 A 1 ATOM 264 C CB . THR A 1 32 ? -10.317 -0.957 -8.651 1.00 98.65 32 A 1 ATOM 265 O OG1 . THR A 1 32 ? -11.109 -0.840 -9.818 1.00 97.06 32 A 1 ATOM 266 C CG2 . THR A 1 32 ? -8.926 -0.443 -9.012 1.00 97.23 32 A 1 ATOM 267 N N . LEU A 1 33 ? -8.288 -3.027 -6.940 1.00 98.84 33 A 1 ATOM 268 C CA . LEU A 1 33 ? -7.345 -3.088 -5.828 1.00 98.86 33 A 1 ATOM 269 C C . LEU A 1 33 ? -6.148 -2.183 -6.125 1.00 98.86 33 A 1 ATOM 270 O O . LEU A 1 33 ? -5.408 -2.404 -7.083 1.00 98.73 33 A 1 ATOM 271 C CB . LEU A 1 33 ? -6.976 -4.558 -5.567 1.00 98.72 33 A 1 ATOM 272 C CG . LEU A 1 33 ? -6.118 -4.742 -4.300 1.00 98.07 33 A 1 ATOM 273 C CD1 . LEU A 1 33 ? -6.421 -6.090 -3.658 1.00 95.88 33 A 1 ATOM 274 C CD2 . LEU A 1 33 ? -4.613 -4.683 -4.599 1.00 96.37 33 A 1 ATOM 275 N N . ARG A 1 34 ? -5.953 -1.165 -5.297 1.00 98.84 34 A 1 ATOM 276 C CA . ARG A 1 34 ? -4.849 -0.208 -5.392 1.00 98.82 34 A 1 ATOM 277 C C . ARG A 1 34 ? -3.775 -0.546 -4.364 1.00 98.81 34 A 1 ATOM 278 O O . ARG A 1 34 ? -4.067 -0.676 -3.175 1.00 98.59 34 A 1 ATOM 279 C CB . ARG A 1 34 ? -5.410 1.209 -5.243 1.00 98.60 34 A 1 ATOM 280 C CG . ARG A 1 34 ? -4.333 2.286 -5.442 1.00 97.99 34 A 1 ATOM 281 C CD . ARG A 1 34 ? -4.951 3.692 -5.377 1.00 98.12 34 A 1 ATOM 282 N NE . ARG A 1 34 ? -5.803 3.983 -6.544 1.00 97.77 34 A 1 ATOM 283 C CZ . ARG A 1 34 ? -6.548 5.057 -6.739 1.00 98.15 34 A 1 ATOM 284 N NH1 . ARG A 1 34 ? -6.637 6.019 -5.869 1.00 95.80 34 A 1 ATOM 285 N NH2 . ARG A 1 34 ? -7.225 5.185 -7.841 1.00 95.62 34 A 1 ATOM 286 N N . HIS A 1 35 ? -2.541 -0.674 -4.817 1.00 98.60 35 A 1 ATOM 287 C CA . HIS A 1 35 ? -1.416 -1.088 -3.975 1.00 98.54 35 A 1 ATOM 288 C C . HIS A 1 35 ? -0.124 -0.338 -4.317 1.00 98.46 35 A 1 ATOM 289 O O . HIS A 1 35 ? 0.008 0.278 -5.373 1.00 98.20 35 A 1 ATOM 290 C CB . HIS A 1 35 ? -1.229 -2.603 -4.085 1.00 98.39 35 A 1 ATOM 291 C CG . HIS A 1 35 ? -0.717 -3.063 -5.428 1.00 98.44 35 A 1 ATOM 292 N ND1 . HIS A 1 35 ? 0.591 -3.343 -5.749 1.00 95.35 35 A 1 ATOM 293 C CD2 . HIS A 1 35 ? -1.462 -3.279 -6.559 1.00 95.46 35 A 1 ATOM 294 C CE1 . HIS A 1 35 ? 0.630 -3.728 -7.035 1.00 95.70 35 A 1 ATOM 295 N NE2 . HIS A 1 35 ? -0.597 -3.699 -7.568 1.00 96.06 35 A 1 ATOM 296 N N . GLY A 1 36 ? 0.842 -0.376 -3.413 1.00 98.06 36 A 1 ATOM 297 C CA . GLY A 1 36 ? 2.087 0.376 -3.549 1.00 97.49 36 A 1 ATOM 298 C C . GLY A 1 36 ? 3.230 -0.332 -4.274 1.00 97.24 36 A 1 ATOM 299 O O . GLY A 1 36 ? 4.339 0.204 -4.267 1.00 95.27 36 A 1 ATOM 300 N N . ASP A 1 37 ? 2.982 -1.501 -4.847 1.00 97.46 37 A 1 ATOM 301 C CA . ASP A 1 37 ? 3.975 -2.324 -5.559 1.00 97.13 37 A 1 ATOM 302 C C . ASP A 1 37 ? 5.223 -2.695 -4.722 1.00 96.83 37 A 1 ATOM 303 O O . ASP A 1 37 ? 6.323 -2.903 -5.230 1.00 94.95 37 A 1 ATOM 304 C CB . ASP A 1 37 ? 4.302 -1.691 -6.925 1.00 96.43 37 A 1 ATOM 305 C CG . ASP A 1 37 ? 4.995 -2.668 -7.881 1.00 94.63 37 A 1 ATOM 306 O OD1 . ASP A 1 37 ? 4.659 -3.877 -7.835 1.00 91.40 37 A 1 ATOM 307 O OD2 . ASP A 1 37 ? 5.857 -2.198 -8.659 1.00 90.77 37 A 1 ATOM 308 N N . ALA A 1 38 ? 5.064 -2.757 -3.401 1.00 97.05 38 A 1 ATOM 309 C CA . ALA A 1 38 ? 6.130 -3.220 -2.523 1.00 96.50 38 A 1 ATOM 310 C C . ALA A 1 38 ? 6.102 -4.755 -2.377 1.00 96.80 38 A 1 ATOM 311 O O . ALA A 1 38 ? 5.071 -5.403 -2.556 1.00 95.94 38 A 1 ATOM 312 C CB . ALA A 1 38 ? 6.020 -2.492 -1.176 1.00 95.64 38 A 1 ATOM 313 N N . ASP A 1 39 ? 7.243 -5.325 -1.985 1.00 96.24 39 A 1 ATOM 314 C CA . ASP A 1 39 ? 7.282 -6.731 -1.565 1.00 96.07 39 A 1 ATOM 315 C C . ASP A 1 39 ? 6.324 -6.992 -0.385 1.00 96.40 39 A 1 ATOM 316 O O . ASP A 1 39 ? 5.930 -6.071 0.329 1.00 93.87 39 A 1 ATOM 317 C CB . ASP A 1 39 ? 8.719 -7.140 -1.184 1.00 94.31 39 A 1 ATOM 318 C CG . ASP A 1 39 ? 9.673 -7.172 -2.386 1.00 88.26 39 A 1 ATOM 319 O OD1 . ASP A 1 39 ? 9.244 -7.641 -3.466 1.00 81.89 39 A 1 ATOM 320 O OD2 . ASP A 1 39 ? 10.828 -6.737 -2.214 1.00 81.27 39 A 1 ATOM 321 N N . GLY A 1 40 ? 5.979 -8.262 -0.154 1.00 97.21 40 A 1 ATOM 322 C CA . GLY A 1 40 ? 5.074 -8.667 0.923 1.00 97.40 40 A 1 ATOM 323 C C . GLY A 1 40 ? 3.605 -8.384 0.601 1.00 97.95 40 A 1 ATOM 324 O O . GLY A 1 40 ? 3.118 -8.802 -0.451 1.00 97.58 40 A 1 ATOM 325 N N . VAL A 1 41 ? 2.912 -7.699 1.506 1.00 98.31 41 A 1 ATOM 326 C CA . VAL A 1 41 ? 1.452 -7.510 1.443 1.00 98.51 41 A 1 ATOM 327 C C . VAL A 1 41 ? 0.969 -6.972 0.100 1.00 98.63 41 A 1 ATOM 328 O O . VAL A 1 41 ? 0.050 -7.550 -0.473 1.00 98.56 41 A 1 ATOM 329 C CB . VAL A 1 41 ? 0.974 -6.593 2.583 1.00 98.36 41 A 1 ATOM 330 C CG1 . VAL A 1 41 ? -0.495 -6.169 2.445 1.00 97.63 41 A 1 ATOM 331 C CG2 . VAL A 1 41 ? 1.124 -7.318 3.924 1.00 97.53 41 A 1 ATOM 332 N N . ASP A 1 42 ? 1.586 -5.916 -0.435 1.00 98.33 42 A 1 ATOM 333 C CA . ASP A 1 42 ? 1.133 -5.266 -1.669 1.00 98.29 42 A 1 ATOM 334 C C . ASP A 1 42 ? 1.072 -6.259 -2.844 1.00 98.41 42 A 1 ATOM 335 O O . ASP A 1 42 ? 0.048 -6.366 -3.517 1.00 98.16 42 A 1 ATOM 336 C CB . ASP A 1 42 ? 2.062 -4.091 -2.026 1.00 97.87 42 A 1 ATOM 337 C CG . ASP A 1 42 ? 1.981 -2.859 -1.113 1.00 97.17 42 A 1 ATOM 338 O OD1 . ASP A 1 42 ? 1.300 -2.890 -0.068 1.00 94.89 42 A 1 ATOM 339 O OD2 . ASP A 1 42 ? 2.633 -1.845 -1.465 1.00 94.24 42 A 1 ATOM 340 N N . ARG A 1 43 ? 2.139 -7.028 -3.058 1.00 98.23 43 A 1 ATOM 341 C CA . ARG A 1 43 ? 2.214 -8.010 -4.150 1.00 98.02 43 A 1 ATOM 342 C C . ARG A 1 43 ? 1.324 -9.226 -3.911 1.00 98.41 43 A 1 ATOM 343 O O . ARG A 1 43 ? 0.735 -9.734 -4.858 1.00 98.20 43 A 1 ATOM 344 C CB . ARG A 1 43 ? 3.662 -8.448 -4.392 1.00 97.01 43 A 1 ATOM 345 C CG . ARG A 1 43 ? 4.493 -7.318 -5.025 1.00 91.87 43 A 1 ATOM 346 C CD . ARG A 1 43 ? 5.869 -7.849 -5.417 1.00 86.86 43 A 1 ATOM 347 N NE . ARG A 1 43 ? 6.690 -6.792 -6.046 1.00 80.96 43 A 1 ATOM 348 C CZ . ARG A 1 43 ? 7.990 -6.835 -6.244 1.00 74.53 43 A 1 ATOM 349 N NH1 . ARG A 1 43 ? 8.700 -7.892 -5.980 1.00 69.07 43 A 1 ATOM 350 N NH2 . ARG A 1 43 ? 8.611 -5.790 -6.699 1.00 66.28 43 A 1 ATOM 351 N N . ILE A 1 44 ? 1.184 -9.671 -2.665 1.00 98.01 44 A 1 ATOM 352 C CA . ILE A 1 44 ? 0.278 -10.776 -2.318 1.00 98.35 44 A 1 ATOM 353 C C . ILE A 1 44 ? -1.182 -10.371 -2.580 1.00 98.55 44 A 1 ATOM 354 O O . ILE A 1 44 ? -1.941 -11.140 -3.167 1.00 98.57 44 A 1 ATOM 355 C CB . ILE A 1 44 ? 0.517 -11.228 -0.858 1.00 98.41 44 A 1 ATOM 356 C CG1 . ILE A 1 44 ? 1.933 -11.841 -0.703 1.00 97.94 44 A 1 ATOM 357 C CG2 . ILE A 1 44 ? -0.536 -12.266 -0.432 1.00 97.98 44 A 1 ATOM 358 C CD1 . ILE A 1 44 ? 2.384 -12.003 0.756 1.00 96.55 44 A 1 ATOM 359 N N . CYS A 1 45 ? -1.571 -9.150 -2.207 1.00 98.64 45 A 1 ATOM 360 C CA . CYS A 1 45 ? -2.896 -8.614 -2.513 1.00 98.64 45 A 1 ATOM 361 C C . CYS A 1 45 ? -3.124 -8.463 -4.028 1.00 98.70 45 A 1 ATOM 362 O O . CYS A 1 45 ? -4.208 -8.781 -4.510 1.00 98.68 45 A 1 ATOM 363 C CB . CYS A 1 45 ? -3.068 -7.261 -1.816 1.00 98.58 45 A 1 ATOM 364 S SG . CYS A 1 45 ? -3.126 -7.439 -0.018 1.00 98.14 45 A 1 ATOM 365 N N . ALA A 1 46 ? -2.111 -8.013 -4.780 1.00 98.59 46 A 1 ATOM 366 C CA . ALA A 1 46 ? -2.190 -7.934 -6.240 1.00 98.50 46 A 1 ATOM 367 C C . ALA A 1 46 ? -2.415 -9.317 -6.876 1.00 98.44 46 A 1 ATOM 368 O O . ALA A 1 46 ? -3.324 -9.473 -7.686 1.00 98.23 46 A 1 ATOM 369 C CB . ALA A 1 46 ? -0.920 -7.263 -6.774 1.00 98.30 46 A 1 ATOM 370 N N . GLN A 1 47 ? -1.681 -10.343 -6.431 1.00 98.65 47 A 1 ATOM 371 C CA . GLN A 1 47 ? -1.863 -11.726 -6.893 1.00 98.54 47 A 1 ATOM 372 C C . GLN A 1 47 ? -3.269 -12.257 -6.588 1.00 98.60 47 A 1 ATOM 373 O O . GLN A 1 47 ? -3.868 -12.943 -7.413 1.00 98.44 47 A 1 ATOM 374 C CB . GLN A 1 47 ? -0.839 -12.637 -6.209 1.00 98.33 47 A 1 ATOM 375 C CG . GLN A 1 47 ? 0.590 -12.433 -6.735 1.00 94.62 47 A 1 ATOM 376 C CD . GLN A 1 47 ? 1.630 -13.182 -5.902 1.00 92.25 47 A 1 ATOM 377 O OE1 . GLN A 1 47 ? 1.346 -13.944 -4.985 1.00 85.80 47 A 1 ATOM 378 N NE2 . GLN A 1 47 ? 2.895 -12.996 -6.190 1.00 81.53 47 A 1 ATOM 379 N N . TRP A 1 48 ? -3.815 -11.952 -5.407 1.00 98.53 48 A 1 ATOM 380 C CA . TRP A 1 48 ? -5.196 -12.297 -5.073 1.00 98.56 48 A 1 ATOM 381 C C . TRP A 1 48 ? -6.183 -11.626 -6.034 1.00 98.58 48 A 1 ATOM 382 O O . TRP A 1 48 ? -7.078 -12.287 -6.556 1.00 98.51 48 A 1 ATOM 383 C CB . TRP A 1 48 ? -5.492 -11.923 -3.616 1.00 98.59 48 A 1 ATOM 384 C CG . TRP A 1 48 ? -6.928 -12.109 -3.220 1.00 98.61 48 A 1 ATOM 385 C CD1 . TRP A 1 48 ? -7.472 -13.241 -2.721 1.00 98.37 48 A 1 ATOM 386 C CD2 . TRP A 1 48 ? -8.025 -11.159 -3.344 1.00 98.68 48 A 1 ATOM 387 N NE1 . TRP A 1 48 ? -8.828 -13.065 -2.529 1.00 98.38 48 A 1 ATOM 388 C CE2 . TRP A 1 48 ? -9.224 -11.801 -2.906 1.00 98.54 48 A 1 ATOM 389 C CE3 . TRP A 1 48 ? -8.132 -9.825 -3.795 1.00 98.47 48 A 1 ATOM 390 C CZ2 . TRP A 1 48 ? -10.474 -11.157 -2.930 1.00 98.36 48 A 1 ATOM 391 C CZ3 . TRP A 1 48 ? -9.382 -9.172 -3.820 1.00 98.33 48 A 1 ATOM 392 C CH2 . TRP A 1 48 ? -10.549 -9.832 -3.393 1.00 98.21 48 A 1 ATOM 393 N N . ALA A 1 49 ? -6.008 -10.328 -6.296 1.00 98.58 49 A 1 ATOM 394 C CA . ALA A 1 49 ? -6.871 -9.577 -7.201 1.00 98.52 49 A 1 ATOM 395 C C . ALA A 1 49 ? -6.842 -10.146 -8.630 1.00 98.32 49 A 1 ATOM 396 O O . ALA A 1 49 ? -7.896 -10.392 -9.211 1.00 98.09 49 A 1 ATOM 397 C CB . ALA A 1 49 ? -6.456 -8.103 -7.156 1.00 98.52 49 A 1 ATOM 398 N N . GLU A 1 50 ? -5.655 -10.435 -9.150 1.00 98.47 50 A 1 ATOM 399 C CA . GLU A 1 50 ? -5.467 -11.039 -10.474 1.00 98.12 50 A 1 ATOM 400 C C . GLU A 1 50 ? -6.172 -12.399 -10.590 1.00 98.11 50 A 1 ATOM 401 O O . GLU A 1 50 ? -6.908 -12.635 -11.547 1.00 97.45 50 A 1 ATOM 402 C CB . GLU A 1 50 ? -3.966 -11.208 -10.744 1.00 97.44 50 A 1 ATOM 403 C CG . GLU A 1 50 ? -3.259 -9.874 -11.038 1.00 88.94 50 A 1 ATOM 404 C CD . GLU A 1 50 ? -1.723 -9.993 -11.053 1.00 84.10 50 A 1 ATOM 405 O OE1 . GLU A 1 50 ? -1.075 -8.927 -11.156 1.00 77.32 50 A 1 ATOM 406 O OE2 . GLU A 1 50 ? -1.204 -11.129 -10.930 1.00 78.91 50 A 1 ATOM 407 N N . ARG A 1 51 ? -6.024 -13.273 -9.573 1.00 98.31 51 A 1 ATOM 408 C CA . ARG A 1 51 ? -6.694 -14.587 -9.527 1.00 98.12 51 A 1 ATOM 409 C C . ARG A 1 51 ? -8.219 -14.488 -9.517 1.00 98.29 51 A 1 ATOM 410 O O . ARG A 1 51 ? -8.884 -15.396 -10.002 1.00 97.68 51 A 1 ATOM 411 C CB . ARG A 1 51 ? -6.228 -15.360 -8.286 1.00 97.42 51 A 1 ATOM 412 C CG . ARG A 1 51 ? -4.797 -15.886 -8.437 1.00 90.00 51 A 1 ATOM 413 C CD . ARG A 1 51 ? -4.347 -16.502 -7.109 1.00 87.37 51 A 1 ATOM 414 N NE . ARG A 1 51 ? -2.946 -16.950 -7.175 1.00 78.66 51 A 1 ATOM 415 C CZ . ARG A 1 51 ? -2.326 -17.690 -6.270 1.00 72.89 51 A 1 ATOM 416 N NH1 . ARG A 1 51 ? -2.927 -18.120 -5.198 1.00 68.25 51 A 1 ATOM 417 N NH2 . ARG A 1 51 ? -1.072 -18.004 -6.429 1.00 62.75 51 A 1 ATOM 418 N N . ASN A 1 52 ? -8.762 -13.401 -8.977 1.00 98.06 52 A 1 ATOM 419 C CA . ASN A 1 52 ? -10.198 -13.144 -8.890 1.00 98.05 52 A 1 ATOM 420 C C . ASN A 1 52 ? -10.733 -12.262 -10.036 1.00 98.25 52 A 1 ATOM 421 O O . ASN A 1 52 ? -11.889 -11.841 -10.005 1.00 97.65 52 A 1 ATOM 422 C CB . ASN A 1 52 ? -10.509 -12.591 -7.490 1.00 97.96 52 A 1 ATOM 423 C CG . ASN A 1 52 ? -10.433 -13.669 -6.423 1.00 97.74 52 A 1 ATOM 424 O OD1 . ASN A 1 52 ? -11.359 -14.441 -6.245 1.00 91.83 52 A 1 ATOM 425 N ND2 . ASN A 1 52 ? -9.346 -13.775 -5.705 1.00 91.93 52 A 1 ATOM 426 N N . GLY A 1 53 ? -9.920 -11.953 -11.046 1.00 98.36 53 A 1 ATOM 427 C CA . GLY A 1 53 ? -10.318 -11.093 -12.169 1.00 98.26 53 A 1 ATOM 428 C C . GLY A 1 53 ? -10.608 -9.642 -11.767 1.00 98.43 53 A 1 ATOM 429 O O . GLY A 1 53 ? -11.416 -8.965 -12.409 1.00 97.76 53 A 1 ATOM 430 N N . ILE A 1 54 ? -9.989 -9.170 -10.680 1.00 98.47 54 A 1 ATOM 431 C CA . ILE A 1 54 ? -10.155 -7.813 -10.151 1.00 98.58 54 A 1 ATOM 432 C C . ILE A 1 54 ? -9.045 -6.926 -10.712 1.00 98.60 54 A 1 ATOM 433 O O . ILE A 1 54 ? -7.871 -7.276 -10.678 1.00 98.38 54 A 1 ATOM 434 C CB . ILE A 1 54 ? -10.176 -7.839 -8.607 1.00 98.50 54 A 1 ATOM 435 C CG1 . ILE A 1 54 ? -11.417 -8.615 -8.109 1.00 97.80 54 A 1 ATOM 436 C CG2 . ILE A 1 54 ? -10.160 -6.417 -8.012 1.00 97.97 54 A 1 ATOM 437 C CD1 . ILE A 1 54 ? -11.345 -9.005 -6.632 1.00 95.23 54 A 1 ATOM 438 N N . LYS A 1 55 ? -9.411 -5.731 -11.193 1.00 98.66 55 A 1 ATOM 439 C CA . LYS A 1 55 ? -8.449 -4.749 -11.707 1.00 98.64 55 A 1 ATOM 440 C C . LYS A 1 55 ? -7.437 -4.365 -10.622 1.00 98.75 55 A 1 ATOM 441 O O . LYS A 1 55 ? -7.820 -4.031 -9.506 1.00 98.60 55 A 1 ATOM 442 C CB . LYS A 1 55 ? -9.212 -3.519 -12.226 1.00 98.29 55 A 1 ATOM 443 C CG . LYS A 1 55 ? -8.283 -2.484 -12.887 1.00 95.93 55 A 1 ATOM 444 C CD . LYS A 1 55 ? -9.025 -1.176 -13.185 1.00 93.23 55 A 1 ATOM 445 C CE . LYS A 1 55 ? -8.048 -0.163 -13.794 1.00 86.86 55 A 1 ATOM 446 N NZ . LYS A 1 55 ? -8.492 1.236 -13.570 1.00 78.90 55 A 1 ATOM 447 N N . THR A 1 56 ? -6.155 -4.333 -10.955 1.00 98.71 56 A 1 ATOM 448 C CA . THR A 1 56 ? -5.099 -3.820 -10.070 1.00 98.67 56 A 1 ATOM 449 C C . THR A 1 56 ? -4.605 -2.444 -10.521 1.00 98.67 56 A 1 ATOM 450 O O . THR A 1 56 ? -4.566 -2.125 -11.710 1.00 98.30 56 A 1 ATOM 451 C CB . THR A 1 56 ? -3.938 -4.816 -9.919 1.00 98.22 56 A 1 ATOM 452 O OG1 . THR A 1 56 ? -3.401 -5.126 -11.178 1.00 93.51 56 A 1 ATOM 453 C CG2 . THR A 1 56 ? -4.387 -6.123 -9.272 1.00 92.49 56 A 1 ATOM 454 N N . GLU A 1 57 ? -4.256 -1.595 -9.554 1.00 98.71 57 A 1 ATOM 455 C CA . GLU A 1 57 ? -3.607 -0.300 -9.770 1.00 98.68 57 A 1 ATOM 456 C C . GLU A 1 57 ? -2.344 -0.228 -8.907 1.00 98.69 57 A 1 ATOM 457 O O . GLU A 1 57 ? -2.413 -0.041 -7.688 1.00 98.42 57 A 1 ATOM 458 C CB . GLU A 1 57 ? -4.563 0.863 -9.442 1.00 98.51 57 A 1 ATOM 459 C CG . GLU A 1 57 ? -5.735 0.986 -10.427 1.00 97.59 57 A 1 ATOM 460 C CD . GLU A 1 57 ? -6.686 2.153 -10.106 1.00 97.72 57 A 1 ATOM 461 O OE1 . GLU A 1 57 ? -7.590 2.397 -10.942 1.00 94.09 57 A 1 ATOM 462 O OE2 . GLU A 1 57 ? -6.547 2.787 -9.030 1.00 94.78 57 A 1 ATOM 463 N N . ALA A 1 58 ? -1.188 -0.387 -9.539 1.00 98.73 58 A 1 ATOM 464 C CA . ALA A 1 58 ? 0.114 -0.330 -8.893 1.00 98.69 58 A 1 ATOM 465 C C . ALA A 1 58 ? 0.629 1.114 -8.805 1.00 98.67 58 A 1 ATOM 466 O O . ALA A 1 58 ? 0.635 1.846 -9.795 1.00 98.36 58 A 1 ATOM 467 C CB . ALA A 1 58 ? 1.088 -1.236 -9.652 1.00 98.49 58 A 1 ATOM 468 N N . PHE A 1 59 ? 1.114 1.514 -7.633 1.00 98.72 59 A 1 ATOM 469 C CA . PHE A 1 59 ? 1.725 2.818 -7.372 1.00 98.67 59 A 1 ATOM 470 C C . PHE A 1 59 ? 3.155 2.625 -6.845 1.00 98.55 59 A 1 ATOM 471 O O . PHE A 1 59 ? 3.381 2.700 -5.635 1.00 98.01 59 A 1 ATOM 472 C CB . PHE A 1 59 ? 0.847 3.628 -6.405 1.00 98.64 59 A 1 ATOM 473 C CG . PHE A 1 59 ? -0.396 4.224 -7.037 1.00 98.66 59 A 1 ATOM 474 C CD1 . PHE A 1 59 ? -0.472 5.610 -7.282 1.00 98.28 59 A 1 ATOM 475 C CD2 . PHE A 1 59 ? -1.472 3.397 -7.402 1.00 98.35 59 A 1 ATOM 476 C CE1 . PHE A 1 59 ? -1.613 6.161 -7.889 1.00 97.97 59 A 1 ATOM 477 C CE2 . PHE A 1 59 ? -2.609 3.946 -8.021 1.00 98.02 59 A 1 ATOM 478 C CZ . PHE A 1 59 ? -2.681 5.329 -8.264 1.00 98.18 59 A 1 ATOM 479 N N . PRO A 1 60 ? 4.145 2.347 -7.707 1.00 98.38 60 A 1 ATOM 480 C CA . PRO A 1 60 ? 5.530 2.224 -7.266 1.00 98.13 60 A 1 ATOM 481 C C . PRO A 1 60 ? 6.037 3.555 -6.691 1.00 98.05 60 A 1 ATOM 482 O O . PRO A 1 60 ? 5.710 4.640 -7.173 1.00 97.54 60 A 1 ATOM 483 C CB . PRO A 1 60 ? 6.319 1.779 -8.499 1.00 97.65 60 A 1 ATOM 484 C CG . PRO A 1 60 ? 5.481 2.309 -9.666 1.00 96.27 60 A 1 ATOM 485 C CD . PRO A 1 60 ? 4.052 2.187 -9.150 1.00 98.03 60 A 1 ATOM 486 N N . ALA A 1 61 ? 6.847 3.482 -5.628 1.00 98.10 61 A 1 ATOM 487 C CA . ALA A 1 61 ? 7.425 4.686 -5.043 1.00 97.99 61 A 1 ATOM 488 C C . ALA A 1 61 ? 8.522 5.256 -5.962 1.00 98.01 61 A 1 ATOM 489 O O . ALA A 1 61 ? 9.437 4.521 -6.326 1.00 97.52 61 A 1 ATOM 490 C CB . ALA A 1 61 ? 7.949 4.371 -3.637 1.00 97.51 61 A 1 ATOM 491 N N . PRO A 1 62 ? 8.485 6.559 -6.292 1.00 98.07 62 A 1 ATOM 492 C CA . PRO A 1 62 ? 9.427 7.179 -7.220 1.00 97.93 62 A 1 ATOM 493 C C . PRO A 1 62 ? 10.753 7.525 -6.522 1.00 98.06 62 A 1 ATOM 494 O O . PRO A 1 62 ? 11.061 8.693 -6.281 1.00 97.54 62 A 1 ATOM 495 C CB . PRO A 1 62 ? 8.667 8.388 -7.780 1.00 97.50 62 A 1 ATOM 496 C CG . PRO A 1 62 ? 7.807 8.820 -6.596 1.00 96.80 62 A 1 ATOM 497 C CD . PRO A 1 62 ? 7.422 7.493 -5.948 1.00 97.78 62 A 1 ATOM 498 N N . TRP A 1 63 ? 11.526 6.499 -6.145 1.00 97.94 63 A 1 ATOM 499 C CA . TRP A 1 63 ? 12.777 6.657 -5.385 1.00 97.84 63 A 1 ATOM 500 C C . TRP A 1 63 ? 13.812 7.529 -6.099 1.00 97.99 63 A 1 ATOM 501 O O . TRP A 1 63 ? 14.465 8.339 -5.438 1.00 97.55 63 A 1 ATOM 502 C CB . TRP A 1 63 ? 13.375 5.277 -5.087 1.00 97.32 63 A 1 ATOM 503 C CG . TRP A 1 63 ? 12.509 4.378 -4.258 1.00 96.87 63 A 1 ATOM 504 C CD1 . TRP A 1 63 ? 11.852 3.288 -4.696 1.00 95.46 63 A 1 ATOM 505 C CD2 . TRP A 1 63 ? 12.173 4.505 -2.842 1.00 96.41 63 A 1 ATOM 506 N NE1 . TRP A 1 63 ? 11.129 2.733 -3.658 1.00 94.36 63 A 1 ATOM 507 C CE2 . TRP A 1 63 ? 11.284 3.447 -2.495 1.00 95.26 63 A 1 ATOM 508 C CE3 . TRP A 1 63 ? 12.520 5.417 -1.821 1.00 94.46 63 A 1 ATOM 509 C CZ2 . TRP A 1 63 ? 10.753 3.304 -1.203 1.00 93.20 63 A 1 ATOM 510 C CZ3 . TRP A 1 63 ? 11.998 5.281 -0.521 1.00 93.26 63 A 1 ATOM 511 C CH2 . TRP A 1 63 ? 11.110 4.228 -0.211 1.00 92.43 63 A 1 ATOM 512 N N . ASP A 1 64 ? 13.899 7.405 -7.428 1.00 97.98 64 A 1 ATOM 513 C CA . ASP A 1 64 ? 14.896 8.097 -8.251 1.00 97.77 64 A 1 ATOM 514 C C . ASP A 1 64 ? 14.461 9.519 -8.653 1.00 98.10 64 A 1 ATOM 515 O O . ASP A 1 64 ? 15.258 10.304 -9.163 1.00 97.51 64 A 1 ATOM 516 C CB . ASP A 1 64 ? 15.204 7.231 -9.485 1.00 97.03 64 A 1 ATOM 517 C CG . ASP A 1 64 ? 15.588 5.795 -9.104 1.00 93.67 64 A 1 ATOM 518 O OD1 . ASP A 1 64 ? 16.350 5.624 -8.124 1.00 89.59 64 A 1 ATOM 519 O OD2 . ASP A 1 64 ? 15.029 4.866 -9.727 1.00 88.43 64 A 1 ATOM 520 N N . ASN A 1 65 ? 13.200 9.892 -8.405 1.00 97.74 65 A 1 ATOM 521 C CA . ASN A 1 65 ? 12.717 11.235 -8.710 1.00 97.92 65 A 1 ATOM 522 C C . ASN A 1 65 ? 13.091 12.210 -7.579 1.00 98.06 65 A 1 ATOM 523 O O . ASN A 1 65 ? 12.438 12.273 -6.532 1.00 97.68 65 A 1 ATOM 524 C CB . ASN A 1 65 ? 11.216 11.199 -9.027 1.00 97.63 65 A 1 ATOM 525 C CG . ASN A 1 65 ? 10.722 12.533 -9.563 1.00 97.32 65 A 1 ATOM 526 O OD1 . ASN A 1 65 ? 11.320 13.580 -9.377 1.00 95.68 65 A 1 ATOM 527 N ND2 . ASN A 1 65 ? 9.606 12.543 -10.256 1.00 95.05 65 A 1 ATOM 528 N N . LEU A 1 66 ? 14.142 12.996 -7.815 1.00 98.02 66 A 1 ATOM 529 C CA . LEU A 1 66 ? 14.672 13.985 -6.870 1.00 98.02 66 A 1 ATOM 530 C C . LEU A 1 66 ? 14.022 15.375 -7.009 1.00 98.01 66 A 1 ATOM 531 O O . LEU A 1 66 ? 14.365 16.281 -6.253 1.00 97.09 66 A 1 ATOM 532 C CB . LEU A 1 66 ? 16.205 14.058 -7.013 1.00 97.94 66 A 1 ATOM 533 C CG . LEU A 1 66 ? 16.944 12.707 -6.890 1.00 97.55 66 A 1 ATOM 534 C CD1 . LEU A 1 66 ? 18.452 12.950 -6.945 1.00 96.71 66 A 1 ATOM 535 C CD2 . LEU A 1 66 ? 16.613 11.965 -5.594 1.00 96.61 66 A 1 ATOM 536 N N . SER A 1 67 ? 13.079 15.550 -7.941 1.00 97.60 67 A 1 ATOM 537 C CA . SER A 1 67 ? 12.422 16.830 -8.240 1.00 97.04 67 A 1 ATOM 538 C C . SER A 1 67 ? 11.023 16.954 -7.626 1.00 96.74 67 A 1 ATOM 539 O O . SER A 1 67 ? 10.326 17.941 -7.867 1.00 95.14 67 A 1 ATOM 540 C CB . SER A 1 67 ? 12.353 17.037 -9.758 1.00 96.57 67 A 1 ATOM 541 O OG . SER A 1 67 ? 13.641 16.913 -10.329 1.00 93.17 67 A 1 ATOM 542 N N . LEU A 1 68 ? 10.570 15.963 -6.855 1.00 96.52 68 A 1 ATOM 543 C CA . LEU A 1 68 ? 9.260 16.000 -6.202 1.00 95.88 68 A 1 ATOM 544 C C . LEU A 1 68 ? 9.215 17.048 -5.076 1.00 95.70 68 A 1 ATOM 545 O O . LEU A 1 68 ? 10.229 17.309 -4.424 1.00 94.42 68 A 1 ATOM 546 C CB . LEU A 1 68 ? 8.896 14.609 -5.661 1.00 95.46 68 A 1 ATOM 547 C CG . LEU A 1 68 ? 8.654 13.554 -6.752 1.00 94.51 68 A 1 ATOM 548 C CD1 . LEU A 1 68 ? 8.427 12.202 -6.077 1.00 92.16 68 A 1 ATOM 549 C CD2 . LEU A 1 68 ? 7.437 13.870 -7.624 1.00 92.16 68 A 1 ATOM 550 N N . PRO A 1 69 ? 8.028 17.610 -4.773 1.00 94.97 69 A 1 ATOM 551 C CA . PRO A 1 69 ? 7.849 18.474 -3.614 1.00 93.25 69 A 1 ATOM 552 C C . PRO A 1 69 ? 8.318 17.792 -2.322 1.00 92.91 69 A 1 ATOM 553 O O . PRO A 1 69 ? 8.067 16.604 -2.104 1.00 89.75 69 A 1 ATOM 554 C CB . PRO A 1 69 ? 6.351 18.806 -3.564 1.00 91.69 69 A 1 ATOM 555 C CG . PRO A 1 69 ? 5.893 18.620 -5.009 1.00 89.92 69 A 1 ATOM 556 C CD . PRO A 1 69 ? 6.770 17.472 -5.503 1.00 92.59 69 A 1 ATOM 557 N N . ASN A 1 70 ? 8.976 18.555 -1.444 1.00 93.89 70 A 1 ATOM 558 C CA . ASN A 1 70 ? 9.501 18.072 -0.158 1.00 93.85 70 A 1 ATOM 559 C C . ASN A 1 70 ? 10.496 16.895 -0.269 1.00 95.31 70 A 1 ATOM 560 O O . ASN A 1 70 ? 10.629 16.097 0.665 1.00 93.72 70 A 1 ATOM 561 C CB . ASN A 1 70 ? 8.333 17.792 0.804 1.00 91.51 70 A 1 ATOM 562 C CG . ASN A 1 70 ? 7.408 18.987 0.934 1.00 86.53 70 A 1 ATOM 563 O OD1 . ASN A 1 70 ? 7.835 20.103 1.163 1.00 80.23 70 A 1 ATOM 564 N ND2 . ASN A 1 70 ? 6.117 18.800 0.777 1.00 77.98 70 A 1 ATOM 565 N N . THR A 1 71 ? 11.194 16.783 -1.400 1.00 96.62 71 A 1 ATOM 566 C CA . THR A 1 71 ? 12.234 15.767 -1.585 1.00 96.93 71 A 1 ATOM 567 C C . THR A 1 71 ? 13.309 15.885 -0.509 1.00 97.08 71 A 1 ATOM 568 O O . THR A 1 71 ? 13.883 16.946 -0.271 1.00 95.86 71 A 1 ATOM 569 C CB . THR A 1 71 ? 12.852 15.844 -2.991 1.00 96.22 71 A 1 ATOM 570 O OG1 . THR A 1 71 ? 11.944 15.255 -3.887 1.00 91.91 71 A 1 ATOM 571 C CG2 . THR A 1 71 ? 14.155 15.059 -3.138 1.00 91.36 71 A 1 ATOM 572 N N . LYS A 1 72 ? 13.617 14.759 0.121 1.00 97.59 72 A 1 ATOM 573 C CA . LYS A 1 72 ? 14.737 14.614 1.047 1.00 97.72 72 A 1 ATOM 574 C C . LYS A 1 72 ? 15.755 13.668 0.432 1.00 98.15 72 A 1 ATOM 575 O O . LYS A 1 72 ? 15.567 12.450 0.457 1.00 97.66 72 A 1 ATOM 576 C CB . LYS A 1 72 ? 14.218 14.164 2.419 1.00 96.94 72 A 1 ATOM 577 C CG . LYS A 1 72 ? 15.347 14.144 3.460 1.00 89.27 72 A 1 ATOM 578 C CD . LYS A 1 72 ? 14.768 13.890 4.854 1.00 86.46 72 A 1 ATOM 579 C CE . LYS A 1 72 ? 15.875 14.000 5.910 1.00 81.18 72 A 1 ATOM 580 N NZ . LYS A 1 72 ? 15.308 14.021 7.282 1.00 72.35 72 A 1 ATOM 581 N N . ILE A 1 73 ? 16.819 14.244 -0.119 1.00 98.27 73 A 1 ATOM 582 C CA . ILE A 1 73 ? 17.880 13.469 -0.762 1.00 98.35 73 A 1 ATOM 583 C C . ILE A 1 73 ? 18.703 12.748 0.313 1.00 98.47 73 A 1 ATOM 584 O O . ILE A 1 73 ? 19.140 13.343 1.300 1.00 98.23 73 A 1 ATOM 585 C CB . ILE A 1 73 ? 18.742 14.348 -1.700 1.00 98.15 73 A 1 ATOM 586 C CG1 . ILE A 1 73 ? 17.844 15.039 -2.759 1.00 97.30 73 A 1 ATOM 587 C CG2 . ILE A 1 73 ? 19.824 13.485 -2.378 1.00 97.41 73 A 1 ATOM 588 C CD1 . ILE A 1 73 ? 18.584 15.977 -3.725 1.00 94.79 73 A 1 ATOM 589 N N . ARG A 1 74 ? 18.883 11.451 0.121 1.00 98.23 74 A 1 ATOM 590 C CA . ARG A 1 74 ? 19.823 10.599 0.857 1.00 98.24 74 A 1 ATOM 591 C C . ARG A 1 74 ? 20.647 9.781 -0.131 1.00 98.48 74 A 1 ATOM 592 O O . ARG A 1 74 ? 20.299 9.697 -1.306 1.00 98.32 74 A 1 ATOM 593 C CB . ARG A 1 74 ? 19.069 9.693 1.840 1.00 98.05 74 A 1 ATOM 594 C CG . ARG A 1 74 ? 18.495 10.469 3.028 1.00 96.41 74 A 1 ATOM 595 C CD . ARG A 1 74 ? 17.920 9.476 4.044 1.00 92.96 74 A 1 ATOM 596 N NE . ARG A 1 74 ? 17.486 10.145 5.286 1.00 86.96 74 A 1 ATOM 597 C CZ . ARG A 1 74 ? 17.019 9.538 6.364 1.00 80.55 74 A 1 ATOM 598 N NH1 . ARG A 1 74 ? 16.839 8.249 6.404 1.00 76.41 74 A 1 ATOM 599 N NH2 . ARG A 1 74 ? 16.722 10.216 7.435 1.00 77.24 74 A 1 ATOM 600 N N . TYR A 1 75 ? 21.702 9.174 0.369 1.00 98.39 75 A 1 ATOM 601 C CA . TYR A 1 75 ? 22.615 8.376 -0.443 1.00 98.42 75 A 1 ATOM 602 C C . TYR A 1 75 ? 22.693 6.953 0.107 1.00 98.44 75 A 1 ATOM 603 O O . TYR A 1 75 ? 22.676 6.740 1.323 1.00 97.90 75 A 1 ATOM 604 C CB . TYR A 1 75 ? 23.991 9.055 -0.507 1.00 98.22 75 A 1 ATOM 605 C CG . TYR A 1 75 ? 23.961 10.422 -1.175 1.00 97.96 75 A 1 ATOM 606 C CD1 . TYR A 1 75 ? 24.253 10.547 -2.547 1.00 96.40 75 A 1 ATOM 607 C CD2 . TYR A 1 75 ? 23.616 11.571 -0.427 1.00 96.90 75 A 1 ATOM 608 C CE1 . TYR A 1 75 ? 24.201 11.807 -3.174 1.00 96.07 75 A 1 ATOM 609 C CE2 . TYR A 1 75 ? 23.553 12.834 -1.050 1.00 96.10 75 A 1 ATOM 610 C CZ . TYR A 1 75 ? 23.847 12.950 -2.425 1.00 96.28 75 A 1 ATOM 611 O OH . TYR A 1 75 ? 23.784 14.170 -3.032 1.00 94.49 75 A 1 ATOM 612 N N . ASN A 1 76 ? 22.743 5.978 -0.792 1.00 98.14 76 A 1 ATOM 613 C CA . ASN A 1 76 ? 23.025 4.573 -0.503 1.00 97.50 76 A 1 ATOM 614 C C . ASN A 1 76 ? 24.016 4.015 -1.539 1.00 97.81 76 A 1 ATOM 615 O O . ASN A 1 76 ? 24.517 4.759 -2.385 1.00 97.33 76 A 1 ATOM 616 C CB . ASN A 1 76 ? 21.683 3.808 -0.410 1.00 96.48 76 A 1 ATOM 617 C CG . ASN A 1 76 ? 20.924 3.699 -1.727 1.00 95.65 76 A 1 ATOM 618 O OD1 . ASN A 1 76 ? 21.475 3.745 -2.810 1.00 93.10 76 A 1 ATOM 619 N ND2 . ASN A 1 76 ? 19.626 3.490 -1.679 1.00 91.91 76 A 1 ATOM 620 N N . ALA A 1 77 ? 24.282 2.713 -1.501 1.00 97.75 77 A 1 ATOM 621 C CA . ALA A 1 77 ? 25.199 2.062 -2.441 1.00 97.70 77 A 1 ATOM 622 C C . ALA A 1 77 ? 24.803 2.211 -3.930 1.00 97.78 77 A 1 ATOM 623 O O . ALA A 1 77 ? 25.643 2.027 -4.801 1.00 96.67 77 A 1 ATOM 624 C CB . ALA A 1 77 ? 25.297 0.580 -2.048 1.00 97.47 77 A 1 ATOM 625 N N . LYS A 1 78 ? 23.539 2.547 -4.226 1.00 97.35 78 A 1 ATOM 626 C CA . LYS A 1 78 ? 23.026 2.781 -5.587 1.00 96.37 78 A 1 ATOM 627 C C . LYS A 1 78 ? 23.042 4.264 -5.991 1.00 96.92 78 A 1 ATOM 628 O O . LYS A 1 78 ? 22.650 4.582 -7.104 1.00 95.57 78 A 1 ATOM 629 C CB . LYS A 1 78 ? 21.619 2.175 -5.740 1.00 95.47 78 A 1 ATOM 630 C CG . LYS A 1 78 ? 21.573 0.664 -5.460 1.00 93.77 78 A 1 ATOM 631 C CD . LYS A 1 78 ? 20.162 0.116 -5.738 1.00 88.84 78 A 1 ATOM 632 C CE . LYS A 1 78 ? 20.130 -1.401 -5.519 1.00 85.88 78 A 1 ATOM 633 N NZ . LYS A 1 78 ? 18.813 -1.985 -5.893 1.00 77.59 78 A 1 ATOM 634 N N . GLY A 1 79 ? 23.470 5.170 -5.099 1.00 97.31 79 A 1 ATOM 635 C CA . GLY A 1 79 ? 23.512 6.609 -5.348 1.00 97.60 79 A 1 ATOM 636 C C . GLY A 1 79 ? 22.458 7.404 -4.569 1.00 98.21 79 A 1 ATOM 637 O O . GLY A 1 79 ? 22.000 6.993 -3.496 1.00 97.93 79 A 1 ATOM 638 N N . ALA A 1 80 ? 22.117 8.584 -5.095 1.00 98.32 80 A 1 ATOM 639 C CA . ALA A 1 80 ? 21.129 9.486 -4.516 1.00 98.37 80 A 1 ATOM 640 C C . ALA A 1 80 ? 19.705 8.929 -4.672 1.00 98.44 80 A 1 ATOM 641 O O . ALA A 1 80 ? 19.352 8.403 -5.723 1.00 98.03 80 A 1 ATOM 642 C CB . ALA A 1 80 ? 21.262 10.869 -5.171 1.00 98.07 80 A 1 ATOM 643 N N . TYR A 1 81 ? 18.870 9.086 -3.645 1.00 98.33 81 A 1 ATOM 644 C CA . TYR A 1 81 ? 17.457 8.717 -3.693 1.00 98.43 81 A 1 ATOM 645 C C . TYR A 1 81 ? 16.594 9.664 -2.853 1.00 98.53 81 A 1 ATOM 646 O O . TYR A 1 81 ? 17.050 10.278 -1.883 1.00 98.41 81 A 1 ATOM 647 C CB . TYR A 1 81 ? 17.268 7.253 -3.252 1.00 98.27 81 A 1 ATOM 648 C CG . TYR A 1 81 ? 17.424 7.000 -1.762 1.00 98.14 81 A 1 ATOM 649 C CD1 . TYR A 1 81 ? 18.705 6.835 -1.200 1.00 97.27 81 A 1 ATOM 650 C CD2 . TYR A 1 81 ? 16.285 6.928 -0.933 1.00 97.48 81 A 1 ATOM 651 C CE1 . TYR A 1 81 ? 18.848 6.596 0.178 1.00 96.56 81 A 1 ATOM 652 C CE2 . TYR A 1 81 ? 16.423 6.687 0.449 1.00 96.60 81 A 1 ATOM 653 C CZ . TYR A 1 81 ? 17.708 6.522 1.005 1.00 96.60 81 A 1 ATOM 654 O OH . TYR A 1 81 ? 17.844 6.292 2.341 1.00 95.23 81 A 1 ATOM 655 N N . ASN A 1 82 ? 15.306 9.757 -3.197 1.00 98.45 82 A 1 ATOM 656 C CA . ASN A 1 82 ? 14.317 10.506 -2.435 1.00 98.29 82 A 1 ATOM 657 C C . ASN A 1 82 ? 13.824 9.692 -1.226 1.00 98.24 82 A 1 ATOM 658 O O . ASN A 1 82 ? 12.986 8.803 -1.358 1.00 97.91 82 A 1 ATOM 659 C CB . ASN A 1 82 ? 13.176 10.908 -3.379 1.00 97.92 82 A 1 ATOM 660 C CG . ASN A 1 82 ? 12.118 11.750 -2.690 1.00 97.49 82 A 1 ATOM 661 O OD1 . ASN A 1 82 ? 12.202 12.077 -1.507 1.00 95.56 82 A 1 ATOM 662 N ND2 . ASN A 1 82 ? 11.095 12.142 -3.408 1.00 94.91 82 A 1 ATOM 663 N N . ALA A 1 83 ? 14.270 10.038 -0.026 1.00 97.80 83 A 1 ATOM 664 C CA . ALA A 1 83 ? 13.835 9.365 1.203 1.00 97.48 83 A 1 ATOM 665 C C . ALA A 1 83 ? 12.344 9.580 1.544 1.00 97.34 83 A 1 ATOM 666 O O . ALA A 1 83 ? 11.815 8.893 2.415 1.00 96.39 83 A 1 ATOM 667 C CB . ALA A 1 83 ? 14.751 9.821 2.348 1.00 97.02 83 A 1 ATOM 668 N N . GLN A 1 84 ? 11.666 10.519 0.868 1.00 97.45 84 A 1 ATOM 669 C CA . GLN A 1 84 ? 10.228 10.775 1.017 1.00 97.17 84 A 1 ATOM 670 C C . GLN A 1 84 ? 9.375 10.087 -0.060 1.00 97.38 84 A 1 ATOM 671 O O . GLN A 1 84 ? 8.152 10.203 -0.019 1.00 96.80 84 A 1 ATOM 672 C CB . GLN A 1 84 ? 9.962 12.296 1.050 1.00 96.37 84 A 1 ATOM 673 C CG . GLN A 1 84 ? 10.648 13.022 2.214 1.00 92.10 84 A 1 ATOM 674 C CD . GLN A 1 84 ? 10.079 12.603 3.569 1.00 88.38 84 A 1 ATOM 675 O OE1 . GLN A 1 84 ? 10.577 11.729 4.252 1.00 79.12 84 A 1 ATOM 676 N NE2 . GLN A 1 84 ? 9.001 13.211 4.009 1.00 75.73 84 A 1 ATOM 677 N N . ALA A 1 85 ? 9.979 9.346 -0.992 1.00 97.75 85 A 1 ATOM 678 C CA . ALA A 1 85 ? 9.274 8.701 -2.103 1.00 97.81 85 A 1 ATOM 679 C C . ALA A 1 85 ? 8.121 7.795 -1.640 1.00 97.82 85 A 1 ATOM 680 O O . ALA A 1 85 ? 7.028 7.855 -2.192 1.00 97.51 85 A 1 ATOM 681 C CB . ALA A 1 85 ? 10.292 7.904 -2.920 1.00 97.68 85 A 1 ATOM 682 N N . GLY A 1 86 ? 8.337 7.000 -0.585 1.00 97.45 86 A 1 ATOM 683 C CA . GLY A 1 86 ? 7.286 6.147 -0.015 1.00 97.23 86 A 1 ATOM 684 C C . GLY A 1 86 ? 6.109 6.949 0.553 1.00 97.39 86 A 1 ATOM 685 O O . GLY A 1 86 ? 4.957 6.636 0.262 1.00 97.22 86 A 1 ATOM 686 N N . ALA A 1 87 ? 6.394 8.013 1.304 1.00 97.44 87 A 1 ATOM 687 C CA . ALA A 1 87 ? 5.371 8.897 1.870 1.00 97.28 87 A 1 ATOM 688 C C . ALA A 1 87 ? 4.595 9.664 0.782 1.00 97.55 87 A 1 ATOM 689 O O . ALA A 1 87 ? 3.372 9.782 0.856 1.00 97.23 87 A 1 ATOM 690 C CB . ALA A 1 87 ? 6.060 9.853 2.853 1.00 96.67 87 A 1 ATOM 691 N N . TYR A 1 88 ? 5.298 10.142 -0.249 1.00 97.55 88 A 1 ATOM 692 C CA . TYR A 1 88 ? 4.688 10.755 -1.429 1.00 97.54 88 A 1 ATOM 693 C C . TYR A 1 88 ? 3.749 9.774 -2.141 1.00 97.77 88 A 1 ATOM 694 O O . TYR A 1 88 ? 2.590 10.096 -2.377 1.00 97.73 88 A 1 ATOM 695 C CB . TYR A 1 88 ? 5.797 11.258 -2.364 1.00 97.40 88 A 1 ATOM 696 C CG . TYR A 1 88 ? 5.263 11.839 -3.660 1.00 96.31 88 A 1 ATOM 697 C CD1 . TYR A 1 88 ? 5.067 11.007 -4.784 1.00 94.34 88 A 1 ATOM 698 C CD2 . TYR A 1 88 ? 4.914 13.205 -3.728 1.00 94.53 88 A 1 ATOM 699 C CE1 . TYR A 1 88 ? 4.521 11.537 -5.968 1.00 92.51 88 A 1 ATOM 700 C CE2 . TYR A 1 88 ? 4.373 13.737 -4.912 1.00 93.13 88 A 1 ATOM 701 C CZ . TYR A 1 88 ? 4.173 12.901 -6.031 1.00 92.36 88 A 1 ATOM 702 O OH . TYR A 1 88 ? 3.642 13.411 -7.178 1.00 90.84 88 A 1 ATOM 703 N N . ARG A 1 89 ? 4.219 8.554 -2.409 1.00 97.30 89 A 1 ATOM 704 C CA . ARG A 1 89 ? 3.442 7.471 -3.018 1.00 97.66 89 A 1 ATOM 705 C C . ARG A 1 89 ? 2.186 7.157 -2.212 1.00 98.09 89 A 1 ATOM 706 O O . ARG A 1 89 ? 1.106 7.061 -2.791 1.00 97.96 89 A 1 ATOM 707 C CB . ARG A 1 89 ? 4.348 6.243 -3.177 1.00 97.01 89 A 1 ATOM 708 C CG . ARG A 1 89 ? 3.740 5.060 -3.939 1.00 94.88 89 A 1 ATOM 709 C CD . ARG A 1 89 ? 2.803 4.163 -3.129 1.00 93.33 89 A 1 ATOM 710 N NE . ARG A 1 89 ? 3.426 3.570 -1.921 1.00 89.51 89 A 1 ATOM 711 C CZ . ARG A 1 89 ? 4.129 2.454 -1.862 1.00 90.49 89 A 1 ATOM 712 N NH1 . ARG A 1 89 ? 4.502 1.808 -2.915 1.00 78.21 89 A 1 ATOM 713 N NH2 . ARG A 1 89 ? 4.451 1.930 -0.719 1.00 80.81 89 A 1 ATOM 714 N N . ASN A 1 90 ? 2.300 7.039 -0.889 1.00 97.90 90 A 1 ATOM 715 C CA . ASN A 1 90 ? 1.156 6.775 -0.012 1.00 98.09 90 A 1 ATOM 716 C C . ASN A 1 90 ? 0.069 7.854 -0.163 1.00 98.26 90 A 1 ATOM 717 O O . ASN A 1 90 ? -1.106 7.532 -0.300 1.00 98.14 90 A 1 ATOM 718 C CB . ASN A 1 90 ? 1.645 6.687 1.445 1.00 97.90 90 A 1 ATOM 719 C CG . ASN A 1 90 ? 2.405 5.419 1.786 1.00 97.39 90 A 1 ATOM 720 O OD1 . ASN A 1 90 ? 2.502 4.468 1.023 1.00 94.30 90 A 1 ATOM 721 N ND2 . ASN A 1 90 ? 2.954 5.350 2.982 1.00 93.76 90 A 1 ATOM 722 N N . GLN A 1 91 ? 0.463 9.132 -0.195 1.00 98.08 91 A 1 ATOM 723 C CA . GLN A 1 91 ? -0.496 10.223 -0.402 1.00 98.09 91 A 1 ATOM 724 C C . GLN A 1 91 ? -1.116 10.193 -1.801 1.00 98.31 91 A 1 ATOM 725 O O . GLN A 1 91 ? -2.318 10.416 -1.942 1.00 98.26 91 A 1 ATOM 726 C CB . GLN A 1 91 ? 0.187 11.573 -0.130 1.00 97.71 91 A 1 ATOM 727 C CG . GLN A 1 91 ? -0.834 12.717 -0.040 1.00 96.08 91 A 1 ATOM 728 C CD . GLN A 1 91 ? -1.807 12.525 1.127 1.00 96.17 91 A 1 ATOM 729 O OE1 . GLN A 1 91 ? -1.398 12.360 2.268 1.00 92.17 91 A 1 ATOM 730 N NE2 . GLN A 1 91 ? -3.098 12.492 0.905 1.00 90.99 91 A 1 ATOM 731 N N . LEU A 1 92 ? -0.307 9.899 -2.823 1.00 98.14 92 A 1 ATOM 732 C CA . LEU A 1 92 ? -0.767 9.793 -4.209 1.00 98.10 92 A 1 ATOM 733 C C . LEU A 1 92 ? -1.842 8.710 -4.365 1.00 98.41 92 A 1 ATOM 734 O O . LEU A 1 92 ? -2.867 8.964 -4.986 1.00 98.31 92 A 1 ATOM 735 C CB . LEU A 1 92 ? 0.455 9.540 -5.112 1.00 97.67 92 A 1 ATOM 736 C CG . LEU A 1 92 ? 0.137 9.507 -6.620 1.00 94.26 92 A 1 ATOM 737 C CD1 . LEU A 1 92 ? -0.355 10.863 -7.124 1.00 91.45 92 A 1 ATOM 738 C CD2 . LEU A 1 92 ? 1.399 9.125 -7.390 1.00 91.93 92 A 1 ATOM 739 N N . MET A 1 93 ? -1.660 7.540 -3.727 1.00 98.18 93 A 1 ATOM 740 C CA . MET A 1 93 ? -2.652 6.453 -3.728 1.00 98.45 93 A 1 ATOM 741 C C . MET A 1 93 ? -4.021 6.886 -3.185 1.00 98.60 93 A 1 ATOM 742 O O . MET A 1 93 ? -5.044 6.389 -3.653 1.00 98.45 93 A 1 ATOM 743 C CB . MET A 1 93 ? -2.140 5.271 -2.887 1.00 98.38 93 A 1 ATOM 744 C CG . MET A 1 93 ? -0.999 4.500 -3.558 1.00 97.74 93 A 1 ATOM 745 S SD . MET A 1 93 ? -0.188 3.296 -2.469 1.00 97.65 93 A 1 ATOM 746 C CE . MET A 1 93 ? -1.536 2.130 -2.163 1.00 94.93 93 A 1 ATOM 747 N N . LEU A 1 94 ? -4.058 7.798 -2.211 1.00 98.60 94 A 1 ATOM 748 C CA . LEU A 1 94 ? -5.303 8.296 -1.614 1.00 98.63 94 A 1 ATOM 749 C C . LEU A 1 94 ? -5.922 9.458 -2.401 1.00 98.60 94 A 1 ATOM 750 O O . LEU A 1 94 ? -7.138 9.625 -2.380 1.00 98.27 94 A 1 ATOM 751 C CB . LEU A 1 94 ? -5.042 8.719 -0.158 1.00 98.59 94 A 1 ATOM 752 C CG . LEU A 1 94 ? -4.496 7.614 0.761 1.00 98.24 94 A 1 ATOM 753 C CD1 . LEU A 1 94 ? -4.322 8.174 2.173 1.00 97.85 94 A 1 ATOM 754 C CD2 . LEU A 1 94 ? -5.402 6.388 0.831 1.00 97.81 94 A 1 ATOM 755 N N . ASN A 1 95 ? -5.091 10.252 -3.084 1.00 98.45 95 A 1 ATOM 756 C CA . ASN A 1 95 ? -5.537 11.454 -3.792 1.00 98.17 95 A 1 ATOM 757 C C . ASN A 1 95 ? -5.928 11.200 -5.250 1.00 98.31 95 A 1 ATOM 758 O O . ASN A 1 95 ? -6.670 12.000 -5.813 1.00 97.73 95 A 1 ATOM 759 C CB . ASN A 1 95 ? -4.425 12.516 -3.726 1.00 97.47 95 A 1 ATOM 760 C CG . ASN A 1 95 ? -4.267 13.165 -2.363 1.00 95.97 95 A 1 ATOM 761 O OD1 . ASN A 1 95 ? -4.928 12.871 -1.378 1.00 91.73 95 A 1 ATOM 762 N ND2 . ASN A 1 95 ? -3.362 14.115 -2.269 1.00 90.14 95 A 1 ATOM 763 N N . THR A 1 96 ? -5.424 10.128 -5.863 1.00 98.20 96 A 1 ATOM 764 C CA . THR A 1 96 ? -5.721 9.798 -7.261 1.00 98.35 96 A 1 ATOM 765 C C . THR A 1 96 ? -7.183 9.393 -7.413 1.00 98.56 96 A 1 ATOM 766 O O . THR A 1 96 ? -7.654 8.502 -6.701 1.00 98.41 96 A 1 ATOM 767 C CB . THR A 1 96 ? -4.796 8.687 -7.770 1.00 98.16 96 A 1 ATOM 768 O OG1 . THR A 1 96 ? -3.459 9.133 -7.715 1.00 96.40 96 A 1 ATOM 769 C CG2 . THR A 1 96 ? -5.055 8.300 -9.225 1.00 96.14 96 A 1 ATOM 770 N N . ASP A 1 97 ? -7.874 10.017 -8.359 1.00 97.83 97 A 1 ATOM 771 C CA . ASP A 1 97 ? -9.260 9.696 -8.689 1.00 97.70 97 A 1 ATOM 772 C C . ASP A 1 97 ? -9.373 8.439 -9.577 1.00 97.84 97 A 1 ATOM 773 O O . ASP A 1 97 ? -8.517 8.190 -10.428 1.00 96.58 97 A 1 ATOM 774 C CB . ASP A 1 97 ? -9.955 10.914 -9.329 1.00 96.73 97 A 1 ATOM 775 C CG . ASP A 1 97 ? -10.219 12.029 -8.303 1.00 92.82 97 A 1 ATOM 776 O OD1 . ASP A 1 97 ? -10.745 11.706 -7.205 1.00 88.15 97 A 1 ATOM 777 O OD2 . ASP A 1 97 ? -9.886 13.191 -8.605 1.00 88.34 97 A 1 ATOM 778 N N . PRO A 1 98 ? -10.449 7.623 -9.369 1.00 97.79 98 A 1 ATOM 779 C CA . PRO A 1 98 ? -11.419 7.732 -8.282 1.00 97.90 98 A 1 ATOM 780 C C . PRO A 1 98 ? -10.764 7.455 -6.916 1.00 98.30 98 A 1 ATOM 781 O O . PRO A 1 98 ? -9.873 6.609 -6.804 1.00 97.88 98 A 1 ATOM 782 C CB . PRO A 1 98 ? -12.517 6.716 -8.615 1.00 97.04 98 A 1 ATOM 783 C CG . PRO A 1 98 ? -11.763 5.640 -9.405 1.00 95.33 98 A 1 ATOM 784 C CD . PRO A 1 98 ? -10.708 6.433 -10.172 1.00 97.19 98 A 1 ATOM 785 N N . LYS A 1 99 ? -11.194 8.167 -5.874 1.00 98.33 99 A 1 ATOM 786 C CA . LYS A 1 99 ? -10.666 7.958 -4.518 1.00 98.26 99 A 1 ATOM 787 C C . LYS A 1 99 ? -11.042 6.570 -3.990 1.00 98.52 99 A 1 ATOM 788 O O . LYS A 1 99 ? -12.103 6.053 -4.346 1.00 98.16 99 A 1 ATOM 789 C CB . LYS A 1 99 ? -11.129 9.066 -3.564 1.00 97.52 99 A 1 ATOM 790 C CG . LYS A 1 99 ? -10.504 10.413 -3.949 1.00 95.15 99 A 1 ATOM 791 C CD . LYS A 1 99 ? -10.839 11.493 -2.918 1.00 89.77 99 A 1 ATOM 792 C CE . LYS A 1 99 ? -10.181 12.794 -3.377 1.00 85.31 99 A 1 ATOM 793 N NZ . LYS A 1 99 ? -10.470 13.911 -2.451 1.00 75.12 99 A 1 ATOM 794 N N . PRO A 1 100 ? -10.215 5.960 -3.116 1.00 98.60 100 A 1 ATOM 795 C CA . PRO A 1 100 ? -10.557 4.687 -2.502 1.00 98.64 100 A 1 ATOM 796 C C . PRO A 1 100 ? -11.872 4.763 -1.714 1.00 98.64 100 A 1 ATOM 797 O O . PRO A 1 100 ? -12.085 5.682 -0.929 1.00 98.34 100 A 1 ATOM 798 C CB . PRO A 1 100 ? -9.377 4.316 -1.600 1.00 98.43 100 A 1 ATOM 799 C CG . PRO A 1 100 ? -8.209 5.100 -2.198 1.00 97.32 100 A 1 ATOM 800 C CD . PRO A 1 100 ? -8.875 6.370 -2.720 1.00 98.52 100 A 1 ATOM 801 N N . ASP A 1 101 ? -12.726 3.749 -1.895 1.00 98.65 101 A 1 ATOM 802 C CA . ASP A 1 101 ? -13.943 3.564 -1.094 1.00 98.59 101 A 1 ATOM 803 C C . ASP A 1 101 ? -13.635 3.020 0.310 1.00 98.64 101 A 1 ATOM 804 O O . ASP A 1 101 ? -14.400 3.243 1.245 1.00 98.28 101 A 1 ATOM 805 C CB . ASP A 1 101 ? -14.829 2.512 -1.760 1.00 98.39 101 A 1 ATOM 806 C CG . ASP A 1 101 ? -15.521 2.915 -3.045 1.00 98.13 101 A 1 ATOM 807 O OD1 . ASP A 1 101 ? -16.505 3.673 -2.930 1.00 96.42 101 A 1 ATOM 808 O OD2 . ASP A 1 101 ? -15.270 2.228 -4.059 1.00 96.59 101 A 1 ATOM 809 N N . HIS A 1 102 ? -12.575 2.211 0.424 1.00 98.55 102 A 1 ATOM 810 C CA . HIS A 1 102 ? -12.191 1.507 1.646 1.00 98.70 102 A 1 ATOM 811 C C . HIS A 1 102 ? -10.684 1.220 1.648 1.00 98.79 102 A 1 ATOM 812 O O . HIS A 1 102 ? -10.054 1.120 0.592 1.00 98.63 102 A 1 ATOM 813 C CB . HIS A 1 102 ? -12.990 0.198 1.749 1.00 98.52 102 A 1 ATOM 814 C CG . HIS A 1 102 ? -13.123 -0.321 3.160 1.00 98.55 102 A 1 ATOM 815 N ND1 . HIS A 1 102 ? -14.084 0.092 4.069 1.00 95.34 102 A 1 ATOM 816 C CD2 . HIS A 1 102 ? -12.357 -1.272 3.767 1.00 95.45 102 A 1 ATOM 817 C CE1 . HIS A 1 102 ? -13.884 -0.603 5.197 1.00 95.57 102 A 1 ATOM 818 N NE2 . HIS A 1 102 ? -12.852 -1.440 5.055 1.00 96.50 102 A 1 ATOM 819 N N . ALA A 1 103 ? -10.118 1.055 2.831 1.00 98.72 103 A 1 ATOM 820 C CA . ALA A 1 103 ? -8.743 0.609 3.010 1.00 98.74 103 A 1 ATOM 821 C C . ALA A 1 103 ? -8.677 -0.672 3.850 1.00 98.73 103 A 1 ATOM 822 O O . ALA A 1 103 ? -9.473 -0.863 4.765 1.00 98.51 103 A 1 ATOM 823 C CB . ALA A 1 103 ? -7.924 1.745 3.633 1.00 98.65 103 A 1 ATOM 824 N N . ILE A 1 104 ? -7.692 -1.519 3.602 1.00 98.73 104 A 1 ATOM 825 C CA . ILE A 1 104 ? -7.296 -2.573 4.541 1.00 98.75 104 A 1 ATOM 826 C C . ILE A 1 104 ? -5.831 -2.388 4.935 1.00 98.72 104 A 1 ATOM 827 O O . ILE A 1 104 ? -4.964 -2.148 4.093 1.00 98.57 104 A 1 ATOM 828 C CB . ILE A 1 104 ? -7.642 -3.985 4.019 1.00 98.67 104 A 1 ATOM 829 C CG1 . ILE A 1 104 ? -7.367 -5.041 5.118 1.00 97.30 104 A 1 ATOM 830 C CG2 . ILE A 1 104 ? -6.902 -4.319 2.714 1.00 96.97 104 A 1 ATOM 831 C CD1 . ILE A 1 104 ? -7.970 -6.414 4.812 1.00 96.83 104 A 1 ATOM 832 N N . VAL A 1 105 ? -5.570 -2.459 6.233 1.00 98.65 105 A 1 ATOM 833 C CA . VAL A 1 105 ? -4.249 -2.264 6.832 1.00 98.64 105 A 1 ATOM 834 C C . VAL A 1 105 ? -3.819 -3.572 7.482 1.00 98.63 105 A 1 ATOM 835 O O . VAL A 1 105 ? -4.395 -3.981 8.487 1.00 98.39 105 A 1 ATOM 836 C CB . VAL A 1 105 ? -4.264 -1.114 7.857 1.00 98.54 105 A 1 ATOM 837 C CG1 . VAL A 1 105 ? -2.854 -0.827 8.389 1.00 97.98 105 A 1 ATOM 838 C CG2 . VAL A 1 105 ? -4.821 0.191 7.267 1.00 98.05 105 A 1 ATOM 839 N N . PHE A 1 106 ? -2.819 -4.206 6.915 1.00 98.59 106 A 1 ATOM 840 C CA . PHE A 1 106 ? -2.173 -5.392 7.476 1.00 98.56 106 A 1 ATOM 841 C C . PHE A 1 106 ? -1.012 -5.003 8.404 1.00 98.52 106 A 1 ATOM 842 O O . PHE A 1 106 ? -0.500 -3.879 8.308 1.00 98.29 106 A 1 ATOM 843 C CB . PHE A 1 106 ? -1.696 -6.297 6.334 1.00 98.57 106 A 1 ATOM 844 C CG . PHE A 1 106 ? -2.820 -6.893 5.511 1.00 98.66 106 A 1 ATOM 845 C CD1 . PHE A 1 106 ? -3.432 -8.093 5.924 1.00 98.34 106 A 1 ATOM 846 C CD2 . PHE A 1 106 ? -3.256 -6.256 4.336 1.00 98.36 106 A 1 ATOM 847 C CE1 . PHE A 1 106 ? -4.475 -8.652 5.160 1.00 98.19 106 A 1 ATOM 848 C CE2 . PHE A 1 106 ? -4.302 -6.815 3.574 1.00 98.17 106 A 1 ATOM 849 C CZ . PHE A 1 106 ? -4.911 -8.016 3.984 1.00 98.47 106 A 1 ATOM 850 N N . PRO A 1 107 ? -0.545 -5.920 9.270 1.00 98.28 107 A 1 ATOM 851 C CA . PRO A 1 107 ? 0.639 -5.687 10.086 1.00 98.16 107 A 1 ATOM 852 C C . PRO A 1 107 ? 1.845 -5.225 9.256 1.00 98.16 107 A 1 ATOM 853 O O . PRO A 1 107 ? 2.107 -5.709 8.150 1.00 97.60 107 A 1 ATOM 854 C CB . PRO A 1 107 ? 0.913 -7.011 10.812 1.00 97.79 107 A 1 ATOM 855 C CG . PRO A 1 107 ? -0.477 -7.637 10.920 1.00 97.05 107 A 1 ATOM 856 C CD . PRO A 1 107 ? -1.135 -7.214 9.610 1.00 98.07 107 A 1 ATOM 857 N N . GLY A 1 108 ? 2.601 -4.267 9.787 1.00 97.81 108 A 1 ATOM 858 C CA . GLY A 1 108 ? 3.757 -3.718 9.094 1.00 97.60 108 A 1 ATOM 859 C C . GLY A 1 108 ? 4.514 -2.650 9.882 1.00 97.74 108 A 1 ATOM 860 O O . GLY A 1 108 ? 4.111 -2.212 10.956 1.00 96.95 108 A 1 ATOM 861 N N . GLY A 1 109 ? 5.645 -2.227 9.314 1.00 97.33 109 A 1 ATOM 862 C CA . GLY A 1 109 ? 6.545 -1.255 9.936 1.00 96.82 109 A 1 ATOM 863 C C . GLY A 1 109 ? 6.164 0.214 9.708 1.00 97.23 109 A 1 ATOM 864 O O . GLY A 1 109 ? 5.023 0.575 9.417 1.00 96.64 109 A 1 ATOM 865 N N . ALA A 1 110 ? 7.173 1.090 9.788 1.00 96.92 110 A 1 ATOM 866 C CA . ALA A 1 110 ? 6.994 2.544 9.719 1.00 96.67 110 A 1 ATOM 867 C C . ALA A 1 110 ? 6.256 3.037 8.455 1.00 96.91 110 A 1 ATOM 868 O O . ALA A 1 110 ? 5.461 3.971 8.542 1.00 95.72 110 A 1 ATOM 869 C CB . ALA A 1 110 ? 8.380 3.194 9.834 1.00 95.83 110 A 1 ATOM 870 N N . GLY A 1 111 ? 6.484 2.405 7.301 1.00 96.26 111 A 1 ATOM 871 C CA . GLY A 1 111 ? 5.800 2.752 6.047 1.00 95.96 111 A 1 ATOM 872 C C . GLY A 1 111 ? 4.300 2.442 6.075 1.00 96.88 111 A 1 ATOM 873 O O . GLY A 1 111 ? 3.496 3.260 5.631 1.00 96.53 111 A 1 ATOM 874 N N . THR A 1 112 ? 3.922 1.308 6.660 1.00 97.09 112 A 1 ATOM 875 C CA . THR A 1 112 ? 2.514 0.936 6.891 1.00 97.71 112 A 1 ATOM 876 C C . THR A 1 112 ? 1.848 1.906 7.865 1.00 98.05 112 A 1 ATOM 877 O O . THR A 1 112 ? 0.742 2.371 7.616 1.00 97.98 112 A 1 ATOM 878 C CB . THR A 1 112 ? 2.424 -0.492 7.445 1.00 97.59 112 A 1 ATOM 879 O OG1 . THR A 1 112 ? 3.133 -1.369 6.603 1.00 96.53 112 A 1 ATOM 880 C CG2 . THR A 1 112 ? 0.986 -0.993 7.557 1.00 96.56 112 A 1 ATOM 881 N N . MET A 1 113 ? 2.544 2.283 8.935 1.00 97.97 113 A 1 ATOM 882 C CA . MET A 1 113 ? 2.039 3.262 9.899 1.00 97.93 113 A 1 ATOM 883 C C . MET A 1 113 ? 1.873 4.667 9.304 1.00 98.12 113 A 1 ATOM 884 O O . MET A 1 113 ? 0.939 5.376 9.676 1.00 98.02 113 A 1 ATOM 885 C CB . MET A 1 113 ? 2.955 3.313 11.130 1.00 97.47 113 A 1 ATOM 886 C CG . MET A 1 113 ? 2.868 2.040 11.981 1.00 86.81 113 A 1 ATOM 887 S SD . MET A 1 113 ? 1.194 1.578 12.519 1.00 78.78 113 A 1 ATOM 888 C CE . MET A 1 113 ? 0.676 3.019 13.475 1.00 67.01 113 A 1 ATOM 889 N N . ASP A 1 114 ? 2.750 5.091 8.381 1.00 97.42 114 A 1 ATOM 890 C CA . ASP A 1 114 ? 2.570 6.335 7.615 1.00 97.46 114 A 1 ATOM 891 C C . ASP A 1 114 ? 1.282 6.275 6.783 1.00 98.09 114 A 1 ATOM 892 O O . ASP A 1 114 ? 0.440 7.169 6.894 1.00 98.13 114 A 1 ATOM 893 C CB . ASP A 1 114 ? 3.804 6.611 6.740 1.00 96.98 114 A 1 ATOM 894 C CG . ASP A 1 114 ? 3.598 7.819 5.811 1.00 96.17 114 A 1 ATOM 895 O OD1 . ASP A 1 114 ? 3.668 8.976 6.278 1.00 93.26 114 A 1 ATOM 896 O OD2 . ASP A 1 114 ? 3.345 7.614 4.601 1.00 92.89 114 A 1 ATOM 897 N N . MET A 1 115 ? 1.081 5.193 6.019 1.00 97.94 115 A 1 ATOM 898 C CA . MET A 1 115 ? -0.136 5.016 5.219 1.00 98.34 115 A 1 ATOM 899 C C . MET A 1 115 ? -1.396 4.972 6.089 1.00 98.59 115 A 1 ATOM 900 O O . MET A 1 115 ? -2.373 5.649 5.781 1.00 98.56 115 A 1 ATOM 901 C CB . MET A 1 115 ? -0.010 3.752 4.359 1.00 98.21 115 A 1 ATOM 902 C CG . MET A 1 115 ? -1.171 3.603 3.365 1.00 97.01 115 A 1 ATOM 903 S SD . MET A 1 115 ? -1.351 4.995 2.219 1.00 97.07 115 A 1 ATOM 904 C CE . MET A 1 115 ? -2.685 4.354 1.170 1.00 94.64 115 A 1 ATOM 905 N N . TYR A 1 116 ? -1.364 4.246 7.216 1.00 98.32 116 A 1 ATOM 906 C CA . TYR A 1 116 ? -2.484 4.181 8.159 1.00 98.47 116 A 1 ATOM 907 C C . TYR A 1 116 ? -2.890 5.564 8.694 1.00 98.55 116 A 1 ATOM 908 O O . TYR A 1 116 ? -4.071 5.914 8.698 1.00 98.50 116 A 1 ATOM 909 C CB . TYR A 1 116 ? -2.117 3.236 9.307 1.00 98.41 116 A 1 ATOM 910 C CG . TYR A 1 116 ? -3.153 3.191 10.414 1.00 98.18 116 A 1 ATOM 911 C CD1 . TYR A 1 116 ? -2.776 3.454 11.748 1.00 96.76 116 A 1 ATOM 912 C CD2 . TYR A 1 116 ? -4.498 2.901 10.111 1.00 96.85 116 A 1 ATOM 913 C CE1 . TYR A 1 116 ? -3.737 3.403 12.774 1.00 95.90 116 A 1 ATOM 914 C CE2 . TYR A 1 116 ? -5.462 2.859 11.135 1.00 96.13 116 A 1 ATOM 915 C CZ . TYR A 1 116 ? -5.080 3.102 12.470 1.00 96.13 116 A 1 ATOM 916 O OH . TYR A 1 116 ? -6.005 3.041 13.463 1.00 94.87 116 A 1 ATOM 917 N N . ARG A 1 117 ? -1.918 6.396 9.093 1.00 98.55 117 A 1 ATOM 918 C CA . ARG A 1 117 ? -2.204 7.775 9.532 1.00 98.48 117 A 1 ATOM 919 C C . ARG A 1 117 ? -2.864 8.602 8.430 1.00 98.60 117 A 1 ATOM 920 O O . ARG A 1 117 ? -3.795 9.348 8.715 1.00 98.42 117 A 1 ATOM 921 C CB . ARG A 1 117 ? -0.916 8.465 9.993 1.00 98.22 117 A 1 ATOM 922 C CG . ARG A 1 117 ? -0.404 7.921 11.334 1.00 92.83 117 A 1 ATOM 923 C CD . ARG A 1 117 ? 0.929 8.597 11.664 1.00 91.02 117 A 1 ATOM 924 N NE . ARG A 1 117 ? 1.625 7.923 12.781 1.00 82.02 117 A 1 ATOM 925 C CZ . ARG A 1 117 ? 2.851 7.436 12.770 1.00 76.02 117 A 1 ATOM 926 N NH1 . ARG A 1 117 ? 3.617 7.490 11.712 1.00 68.56 117 A 1 ATOM 927 N NH2 . ARG A 1 117 ? 3.345 6.881 13.843 1.00 65.49 117 A 1 ATOM 928 N N . ARG A 1 118 ? -2.421 8.459 7.179 1.00 98.64 118 A 1 ATOM 929 C CA . ARG A 1 118 ? -3.004 9.152 6.018 1.00 98.61 118 A 1 ATOM 930 C C . ARG A 1 118 ? -4.430 8.686 5.731 1.00 98.68 118 A 1 ATOM 931 O O . ARG A 1 118 ? -5.294 9.529 5.519 1.00 98.49 118 A 1 ATOM 932 C CB . ARG A 1 118 ? -2.119 8.954 4.784 1.00 98.39 118 A 1 ATOM 933 C CG . ARG A 1 118 ? -0.760 9.640 4.926 1.00 97.80 118 A 1 ATOM 934 C CD . ARG A 1 118 ? 0.136 9.236 3.749 1.00 97.40 118 A 1 ATOM 935 N NE . ARG A 1 118 ? 1.509 9.675 3.994 1.00 96.02 118 A 1 ATOM 936 C CZ . ARG A 1 118 ? 2.030 10.875 3.821 1.00 95.94 118 A 1 ATOM 937 N NH1 . ARG A 1 118 ? 1.392 11.856 3.258 1.00 92.45 118 A 1 ATOM 938 N NH2 . ARG A 1 118 ? 3.233 11.076 4.242 1.00 92.24 118 A 1 ATOM 939 N N . ILE A 1 119 ? -4.690 7.378 5.785 1.00 98.61 119 A 1 ATOM 940 C CA . ILE A 1 119 ? -6.039 6.804 5.648 1.00 98.64 119 A 1 ATOM 941 C C . ILE A 1 119 ? -6.978 7.407 6.700 1.00 98.58 119 A 1 ATOM 942 O O . ILE A 1 119 ? -8.041 7.915 6.351 1.00 98.44 119 A 1 ATOM 943 C CB . ILE A 1 119 ? -5.979 5.257 5.742 1.00 98.68 119 A 1 ATOM 944 C CG1 . ILE A 1 119 ? -5.308 4.660 4.484 1.00 98.41 119 A 1 ATOM 945 C CG2 . ILE A 1 119 ? -7.381 4.643 5.921 1.00 98.41 119 A 1 ATOM 946 C CD1 . ILE A 1 119 ? -4.802 3.223 4.690 1.00 97.77 119 A 1 ATOM 947 N N . LYS A 1 120 ? -6.563 7.429 7.975 1.00 98.38 120 A 1 ATOM 948 C CA . LYS A 1 120 ? -7.350 8.060 9.049 1.00 98.17 120 A 1 ATOM 949 C C . LYS A 1 120 ? -7.610 9.543 8.786 1.00 98.24 120 A 1 ATOM 950 O O . LYS A 1 120 ? -8.734 10.001 8.941 1.00 97.61 120 A 1 ATOM 951 C CB . LYS A 1 120 ? -6.654 7.889 10.404 1.00 97.47 120 A 1 ATOM 952 C CG . LYS A 1 120 ? -6.725 6.447 10.913 1.00 92.44 120 A 1 ATOM 953 C CD . LYS A 1 120 ? -6.198 6.309 12.340 1.00 90.29 120 A 1 ATOM 954 C CE . LYS A 1 120 ? -7.178 6.936 13.349 1.00 83.40 120 A 1 ATOM 955 N NZ . LYS A 1 120 ? -6.810 6.602 14.745 1.00 75.36 120 A 1 ATOM 956 N N . ALA A 1 121 ? -6.583 10.292 8.376 1.00 98.09 121 A 1 ATOM 957 C CA . ALA A 1 121 ? -6.702 11.723 8.107 1.00 97.93 121 A 1 ATOM 958 C C . ALA A 1 121 ? -7.594 12.035 6.891 1.00 97.82 121 A 1 ATOM 959 O O . ALA A 1 121 ? -8.222 13.087 6.859 1.00 96.71 121 A 1 ATOM 960 C CB . ALA A 1 121 ? -5.291 12.298 7.927 1.00 97.64 121 A 1 ATOM 961 N N . SER A 1 122 ? -7.672 11.136 5.908 1.00 97.84 122 A 1 ATOM 962 C CA . SER A 1 122 ? -8.526 11.303 4.723 1.00 97.46 122 A 1 ATOM 963 C C . SER A 1 122 ? -9.998 10.942 4.957 1.00 97.70 122 A 1 ATOM 964 O O . SER A 1 122 ? -10.819 11.179 4.076 1.00 96.49 122 A 1 ATOM 965 C CB . SER A 1 122 ? -7.961 10.499 3.548 1.00 96.45 122 A 1 ATOM 966 O OG . SER A 1 122 ? -8.018 9.112 3.791 1.00 87.44 122 A 1 ATOM 967 N N . GLY A 1 123 ? -10.341 10.351 6.116 1.00 97.79 123 A 1 ATOM 968 C CA . GLY A 1 123 ? -11.701 9.899 6.419 1.00 97.70 123 A 1 ATOM 969 C C . GLY A 1 123 ? -12.157 8.663 5.630 1.00 98.07 123 A 1 ATOM 970 O O . GLY A 1 123 ? -13.337 8.326 5.671 1.00 97.12 123 A 1 ATOM 971 N N . ILE A 1 124 ? -11.256 7.988 4.914 1.00 98.06 124 A 1 ATOM 972 C CA . ILE A 1 124 ? -11.577 6.747 4.194 1.00 98.18 124 A 1 ATOM 973 C C . ILE A 1 124 ? -11.869 5.648 5.227 1.00 98.37 124 A 1 ATOM 974 O O . ILE A 1 124 ? -11.037 5.415 6.112 1.00 98.22 124 A 1 ATOM 975 C CB . ILE A 1 124 ? -10.436 6.357 3.219 1.00 97.98 124 A 1 ATOM 976 C CG1 . ILE A 1 124 ? -10.346 7.390 2.069 1.00 96.41 124 A 1 ATOM 977 C CG2 . ILE A 1 124 ? -10.644 4.949 2.624 1.00 96.36 124 A 1 ATOM 978 C CD1 . ILE A 1 124 ? -9.040 7.312 1.269 1.00 93.67 124 A 1 ATOM 979 N N . PRO A 1 125 ? -13.017 4.941 5.137 1.00 98.44 125 A 1 ATOM 980 C CA . PRO A 1 125 ? -13.300 3.789 5.984 1.00 98.44 125 A 1 ATOM 981 C C . PRO A 1 125 ? -12.208 2.720 5.843 1.00 98.63 125 A 1 ATOM 982 O O . PRO A 1 125 ? -11.704 2.481 4.743 1.00 98.46 125 A 1 ATOM 983 C CB . PRO A 1 125 ? -14.666 3.261 5.534 1.00 97.97 125 A 1 ATOM 984 C CG . PRO A 1 125 ? -15.328 4.473 4.880 1.00 96.33 125 A 1 ATOM 985 C CD . PRO A 1 125 ? -14.145 5.212 4.257 1.00 98.13 125 A 1 ATOM 986 N N . TYR A 1 126 ? -11.854 2.060 6.941 1.00 98.58 126 A 1 ATOM 987 C CA . TYR A 1 126 ? -10.785 1.062 6.909 1.00 98.63 126 A 1 ATOM 988 C C . TYR A 1 126 ? -11.052 -0.142 7.817 1.00 98.62 126 A 1 ATOM 989 O O . TYR A 1 126 ? -11.759 -0.046 8.816 1.00 98.41 126 A 1 ATOM 990 C CB . TYR A 1 126 ? -9.433 1.720 7.232 1.00 98.59 126 A 1 ATOM 991 C CG . TYR A 1 126 ? -9.312 2.273 8.638 1.00 98.63 126 A 1 ATOM 992 C CD1 . TYR A 1 126 ? -9.687 3.604 8.901 1.00 98.16 126 A 1 ATOM 993 C CD2 . TYR A 1 126 ? -8.859 1.454 9.694 1.00 98.22 126 A 1 ATOM 994 C CE1 . TYR A 1 126 ? -9.633 4.111 10.211 1.00 97.91 126 A 1 ATOM 995 C CE2 . TYR A 1 126 ? -8.808 1.956 11.009 1.00 97.94 126 A 1 ATOM 996 C CZ . TYR A 1 126 ? -9.204 3.283 11.267 1.00 97.97 126 A 1 ATOM 997 O OH . TYR A 1 126 ? -9.181 3.764 12.541 1.00 97.06 126 A 1 ATOM 998 N N . THR A 1 127 ? -10.415 -1.259 7.464 1.00 98.38 127 A 1 ATOM 999 C CA . THR A 1 127 ? -10.342 -2.484 8.270 1.00 98.27 127 A 1 ATOM 1000 C C . THR A 1 127 ? -8.897 -2.686 8.731 1.00 98.40 127 A 1 ATOM 1001 O O . THR A 1 127 ? -7.970 -2.593 7.926 1.00 98.21 127 A 1 ATOM 1002 C CB . THR A 1 127 ? -10.835 -3.693 7.456 1.00 97.97 127 A 1 ATOM 1003 O OG1 . THR A 1 127 ? -12.171 -3.476 7.054 1.00 96.57 127 A 1 ATOM 1004 C CG2 . THR A 1 127 ? -10.818 -4.999 8.245 1.00 96.53 127 A 1 ATOM 1005 N N . LEU A 1 128 ? -8.707 -2.953 10.024 1.00 97.86 128 A 1 ATOM 1006 C CA . LEU A 1 128 ? -7.433 -3.457 10.543 1.00 97.58 128 A 1 ATOM 1007 C C . LEU A 1 128 ? -7.459 -4.981 10.455 1.00 97.55 128 A 1 ATOM 1008 O O . LEU A 1 128 ? -8.383 -5.607 10.974 1.00 96.93 128 A 1 ATOM 1009 C CB . LEU A 1 128 ? -7.194 -2.969 11.984 1.00 97.15 128 A 1 ATOM 1010 C CG . LEU A 1 128 ? -7.130 -1.437 12.142 1.00 95.37 128 A 1 ATOM 1011 C CD1 . LEU A 1 128 ? -6.857 -1.070 13.603 1.00 93.23 128 A 1 ATOM 1012 C CD2 . LEU A 1 128 ? -6.038 -0.803 11.277 1.00 94.46 128 A 1 ATOM 1013 N N . ALA A 1 129 ? -6.494 -5.548 9.753 1.00 96.92 129 A 1 ATOM 1014 C CA . ALA A 1 129 ? -6.268 -6.983 9.743 1.00 95.13 129 A 1 ATOM 1015 C C . ALA A 1 129 ? -5.291 -7.311 10.884 1.00 91.61 129 A 1 ATOM 1016 O O . ALA A 1 129 ? -4.109 -6.982 10.793 1.00 83.30 129 A 1 ATOM 1017 C CB . ALA A 1 129 ? -5.757 -7.377 8.350 1.00 94.82 129 A 1 ATOM 1018 N N . GLU A 1 130 ? -5.825 -7.876 11.966 1.00 92.98 130 A 1 ATOM 1019 C CA . GLU A 1 130 ? -5.072 -8.311 13.160 1.00 88.79 130 A 1 ATOM 1020 C C . GLU A 1 130 ? -4.794 -9.815 13.111 1.00 82.43 130 A 1 ATOM 1021 O O . GLU A 1 130 ? -5.698 -10.569 12.682 1.00 72.96 130 A 1 ATOM 1022 C CB . GLU A 1 130 ? -5.817 -7.902 14.449 1.00 81.27 130 A 1 ATOM 1023 C CG . GLU A 1 130 ? -5.953 -6.371 14.608 1.00 74.24 130 A 1 ATOM 1024 C CD . GLU A 1 130 ? -6.635 -5.911 15.919 1.00 70.55 130 A 1 ATOM 1025 O OE1 . GLU A 1 130 ? -6.670 -4.672 16.140 1.00 66.36 130 A 1 ATOM 1026 O OE2 . GLU A 1 130 ? -7.135 -6.751 16.694 1.00 67.87 130 A 1 ATOM 1027 O OXT . GLU A 1 130 ? -3.673 -10.191 13.507 1.00 73.80 130 A 1 #