# 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_tad4 # _entry.id tad4 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ARG 2 1 n LEU 3 1 n LYS 4 1 n ASP 5 1 n ALA 6 1 n GLU 7 1 n GLY 8 1 n TRP 9 1 n GLN 10 1 n LYS 11 1 n SER 12 1 n ARG 13 1 n GLU 14 1 n ALA 15 1 n ASN 16 1 n GLN 17 1 n ASP 18 1 n PRO 19 1 n TYR 20 1 n GLY 21 1 n LYS 22 1 n ALA 23 1 n GLY 24 1 n LEU 25 1 n ASP 26 1 n TYR 27 1 n ALA 28 1 n GLU 29 1 n ARG 30 1 n TRP 31 1 n ALA 32 1 n GLU 33 1 n MET 34 1 n MET 35 1 n GLU 36 1 n GLN 37 1 n TRP 38 1 n ILE 39 1 n PRO 40 1 n GLU 41 1 n ASP 42 1 n SER 43 1 n THR 44 1 n GLU 45 1 n LYS 46 1 n PHE 47 1 n ILE 48 1 n THR 49 1 n GLN 50 1 n GLN 51 1 n ILE 52 1 n GLU 53 1 n ASN 54 1 n VAL 55 1 n ALA 56 1 n GLU 57 1 n ARG 58 1 n CYS 59 1 n SER 60 1 n HIS 61 1 n VAL 62 1 n ALA 63 1 n ASP 64 1 n THR 65 1 n GLU 66 1 n GLY 67 1 n ILE 68 1 n THR 69 1 n GLY 70 1 n PHE 71 1 n MET 72 1 n TYR 73 1 n GLY 74 1 n CYS 75 1 n ALA 76 1 n VAL 77 1 n GLY 78 1 n LEU 79 1 n LEU 80 1 n SER 81 1 n GLN 82 1 n VAL 83 1 n TRP 84 1 n GLU 85 1 n HIS 86 1 n GLY 87 1 n ASP 88 1 n ALA 89 1 n LEU 90 1 n ARG 91 1 n ARG 92 1 n TRP 93 1 n HIS 94 1 n ASN 95 1 n LEU 96 1 n ASP 97 1 n CYS 98 1 n GLN 99 1 n ILE 100 1 n GLY 101 1 n THR 102 1 n GLU 103 1 n GLY 104 1 n GLU 105 1 n GLU 106 1 n ALA 107 1 n ASN 108 1 n GLU 109 1 n SER 110 1 n GLY 111 1 n LYS 112 1 n ILE 113 1 n LEU 114 1 n ASN 115 1 n PRO 116 1 n ALA 117 1 n ILE 118 1 n LEU 119 1 n ASP 120 1 n ILE 121 1 n LYS 122 # _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 01:31:31)" _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 90.61 _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 93.97 1 1 A ARG 2 2 88.45 1 2 A LEU 3 2 96.81 1 3 A LYS 4 2 94.71 1 4 A ASP 5 2 97.69 1 5 A ALA 6 2 98.39 1 6 A GLU 7 2 90.86 1 7 A GLY 8 2 98.41 1 8 A TRP 9 2 97.88 1 9 A GLN 10 2 91.60 1 10 A LYS 11 2 93.13 1 11 A SER 12 2 97.31 1 12 A ARG 13 2 86.35 1 13 A GLU 14 2 95.55 1 14 A ALA 15 2 97.39 1 15 A ASN 16 2 94.17 1 16 A GLN 17 2 90.47 1 17 A ASP 18 2 93.00 1 18 A PRO 19 2 95.13 1 19 A TYR 20 2 91.72 1 20 A GLY 21 2 96.40 1 21 A LYS 22 2 93.30 1 22 A ALA 23 2 97.03 1 23 A GLY 24 2 97.52 1 24 A LEU 25 2 96.57 1 25 A ASP 26 2 96.94 1 26 A TYR 27 2 97.82 1 27 A ALA 28 2 98.37 1 28 A GLU 29 2 95.90 1 29 A ARG 30 2 93.63 1 30 A TRP 31 2 97.35 1 31 A ALA 32 2 97.98 1 32 A GLU 33 2 94.68 1 33 A MET 34 2 95.28 1 34 A MET 35 2 96.14 1 35 A GLU 36 2 93.95 1 36 A GLN 37 2 89.90 1 37 A TRP 38 2 89.57 1 38 A ILE 39 2 92.15 1 39 A PRO 40 2 90.57 1 40 A GLU 41 2 78.31 1 41 A ASP 42 2 80.53 1 42 A SER 43 2 87.45 1 43 A THR 44 2 87.60 1 44 A GLU 45 2 79.20 1 45 A LYS 46 2 82.18 1 46 A PHE 47 2 87.68 1 47 A ILE 48 2 89.69 1 48 A THR 49 2 89.30 1 49 A GLN 50 2 82.43 1 50 A GLN 51 2 87.52 1 51 A ILE 52 2 92.56 1 52 A GLU 53 2 85.92 1 53 A ASN 54 2 89.87 1 54 A VAL 55 2 93.82 1 55 A ALA 56 2 95.42 1 56 A GLU 57 2 88.89 1 57 A ARG 58 2 82.20 1 58 A CYS 59 2 95.92 1 59 A SER 60 2 95.52 1 60 A HIS 61 2 88.87 1 61 A VAL 62 2 96.10 1 62 A ALA 63 2 97.18 1 63 A ASP 64 2 95.36 1 64 A THR 65 2 93.75 1 65 A GLU 66 2 87.60 1 66 A GLY 67 2 93.21 1 67 A ILE 68 2 89.55 1 68 A THR 69 2 91.34 1 69 A GLY 70 2 91.33 1 70 A PHE 71 2 88.97 1 71 A MET 72 2 92.99 1 72 A TYR 73 2 94.67 1 73 A GLY 74 2 94.61 1 74 A CYS 75 2 94.83 1 75 A ALA 76 2 96.84 1 76 A VAL 77 2 96.37 1 77 A GLY 78 2 96.87 1 78 A LEU 79 2 97.02 1 79 A LEU 80 2 97.78 1 80 A SER 81 2 95.77 1 81 A GLN 82 2 92.53 1 82 A VAL 83 2 98.00 1 83 A TRP 84 2 97.30 1 84 A GLU 85 2 89.28 1 85 A HIS 86 2 94.14 1 86 A GLY 87 2 96.82 1 87 A ASP 88 2 92.73 1 88 A ALA 89 2 95.97 1 89 A LEU 90 2 96.49 1 90 A ARG 91 2 92.56 1 91 A ARG 92 2 86.78 1 92 A TRP 93 2 95.21 1 93 A HIS 94 2 92.78 1 94 A ASN 95 2 94.28 1 95 A LEU 96 2 91.48 1 96 A ASP 97 2 90.11 1 97 A CYS 98 2 89.11 1 98 A GLN 99 2 89.08 1 99 A ILE 100 2 85.81 1 100 A GLY 101 2 90.22 1 101 A THR 102 2 90.75 1 102 A GLU 103 2 87.09 1 103 A GLY 104 2 93.36 1 104 A GLU 105 2 88.27 1 105 A GLU 106 2 86.33 1 106 A ALA 107 2 92.56 1 107 A ASN 108 2 93.04 1 108 A GLU 109 2 85.82 1 109 A SER 110 2 92.03 1 110 A GLY 111 2 93.39 1 111 A LYS 112 2 87.66 1 112 A ILE 113 2 91.78 1 113 A LEU 114 2 89.66 1 114 A ASN 115 2 82.02 1 115 A PRO 116 2 82.13 1 116 A ALA 117 2 76.29 1 117 A ILE 118 2 73.39 1 118 A LEU 119 2 73.72 1 119 A ASP 120 2 63.99 1 120 A ILE 121 2 62.32 1 121 A LYS 122 2 54.82 1 122 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ARG . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n ASP . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n GLU . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n TRP . 9 A 9 A 10 1 n GLN . 10 A 10 A 11 1 n LYS . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n ARG . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n GLN . 17 A 17 A 18 1 n ASP . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n LYS . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n ASP . 26 A 26 A 27 1 n TYR . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n GLU . 29 A 29 A 30 1 n ARG . 30 A 30 A 31 1 n TRP . 31 A 31 A 32 1 n ALA . 32 A 32 A 33 1 n GLU . 33 A 33 A 34 1 n MET . 34 A 34 A 35 1 n MET . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n GLN . 37 A 37 A 38 1 n TRP . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n PRO . 40 A 40 A 41 1 n GLU . 41 A 41 A 42 1 n ASP . 42 A 42 A 43 1 n SER . 43 A 43 A 44 1 n THR . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n LYS . 46 A 46 A 47 1 n PHE . 47 A 47 A 48 1 n ILE . 48 A 48 A 49 1 n THR . 49 A 49 A 50 1 n GLN . 50 A 50 A 51 1 n GLN . 51 A 51 A 52 1 n ILE . 52 A 52 A 53 1 n GLU . 53 A 53 A 54 1 n ASN . 54 A 54 A 55 1 n VAL . 55 A 55 A 56 1 n ALA . 56 A 56 A 57 1 n GLU . 57 A 57 A 58 1 n ARG . 58 A 58 A 59 1 n CYS . 59 A 59 A 60 1 n SER . 60 A 60 A 61 1 n HIS . 61 A 61 A 62 1 n VAL . 62 A 62 A 63 1 n ALA . 63 A 63 A 64 1 n ASP . 64 A 64 A 65 1 n THR . 65 A 65 A 66 1 n GLU . 66 A 66 A 67 1 n GLY . 67 A 67 A 68 1 n ILE . 68 A 68 A 69 1 n THR . 69 A 69 A 70 1 n GLY . 70 A 70 A 71 1 n PHE . 71 A 71 A 72 1 n MET . 72 A 72 A 73 1 n TYR . 73 A 73 A 74 1 n GLY . 74 A 74 A 75 1 n CYS . 75 A 75 A 76 1 n ALA . 76 A 76 A 77 1 n VAL . 77 A 77 A 78 1 n GLY . 78 A 78 A 79 1 n LEU . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n SER . 81 A 81 A 82 1 n GLN . 82 A 82 A 83 1 n VAL . 83 A 83 A 84 1 n TRP . 84 A 84 A 85 1 n GLU . 85 A 85 A 86 1 n HIS . 86 A 86 A 87 1 n GLY . 87 A 87 A 88 1 n ASP . 88 A 88 A 89 1 n ALA . 89 A 89 A 90 1 n LEU . 90 A 90 A 91 1 n ARG . 91 A 91 A 92 1 n ARG . 92 A 92 A 93 1 n TRP . 93 A 93 A 94 1 n HIS . 94 A 94 A 95 1 n ASN . 95 A 95 A 96 1 n LEU . 96 A 96 A 97 1 n ASP . 97 A 97 A 98 1 n CYS . 98 A 98 A 99 1 n GLN . 99 A 99 A 100 1 n ILE . 100 A 100 A 101 1 n GLY . 101 A 101 A 102 1 n THR . 102 A 102 A 103 1 n GLU . 103 A 103 A 104 1 n GLY . 104 A 104 A 105 1 n GLU . 105 A 105 A 106 1 n GLU . 106 A 106 A 107 1 n ALA . 107 A 107 A 108 1 n ASN . 108 A 108 A 109 1 n GLU . 109 A 109 A 110 1 n SER . 110 A 110 A 111 1 n GLY . 111 A 111 A 112 1 n LYS . 112 A 112 A 113 1 n ILE . 113 A 113 A 114 1 n LEU . 114 A 114 A 115 1 n ASN . 115 A 115 A 116 1 n PRO . 116 A 116 A 117 1 n ALA . 117 A 117 A 118 1 n ILE . 118 A 118 A 119 1 n LEU . 119 A 119 A 120 1 n ASP . 120 A 120 A 121 1 n ILE . 121 A 121 A 122 1 n LYS . 122 A 122 # _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 ? -7.634 -0.157 13.435 1.00 92.53 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.866 -0.776 12.111 1.00 95.62 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.217 -2.262 12.231 1.00 96.28 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.682 -2.939 13.107 1.00 94.96 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.685 -0.556 11.156 1.00 93.74 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.401 -1.314 11.496 1.00 93.97 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.106 -1.068 10.256 1.00 93.17 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.785 -2.073 10.963 1.00 91.53 1 A 1 ATOM 9 N N . ARG A 1 2 ? -9.075 -2.775 11.336 1.00 96.28 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -9.478 -4.188 11.237 1.00 96.27 2 A 1 ATOM 11 C C . ARG A 1 2 ? -8.374 -5.017 10.572 1.00 97.07 2 A 1 ATOM 12 O O . ARG A 1 2 ? -7.976 -4.740 9.442 1.00 96.63 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -10.791 -4.293 10.450 1.00 95.21 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -11.988 -3.694 11.201 1.00 92.42 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -13.250 -3.694 10.331 1.00 89.53 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -13.344 -2.496 9.480 1.00 83.30 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -14.302 -2.240 8.600 1.00 80.21 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -15.186 -3.133 8.254 1.00 75.76 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -14.413 -1.060 8.073 1.00 70.27 2 A 1 ATOM 20 N N . LEU A 1 3 ? -7.863 -6.038 11.255 1.00 96.71 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -6.725 -6.837 10.805 1.00 97.30 3 A 1 ATOM 22 C C . LEU A 1 3 ? -7.173 -8.218 10.317 1.00 97.08 3 A 1 ATOM 23 O O . LEU A 1 3 ? -7.836 -8.945 11.056 1.00 96.25 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -5.704 -6.971 11.951 1.00 97.36 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -5.015 -5.655 12.352 1.00 97.22 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -4.186 -5.857 13.623 1.00 96.13 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -4.080 -5.150 11.252 1.00 96.46 3 A 1 ATOM 28 N N . LYS A 1 4 ? -6.739 -8.609 9.116 1.00 97.33 4 A 1 ATOM 29 C CA . LYS A 1 4 ? -6.805 -10.008 8.647 1.00 97.24 4 A 1 ATOM 30 C C . LYS A 1 4 ? -5.595 -10.839 9.095 1.00 98.02 4 A 1 ATOM 31 O O . LYS A 1 4 ? -5.697 -12.053 9.180 1.00 97.73 4 A 1 ATOM 32 C CB . LYS A 1 4 ? -7.010 -10.052 7.120 1.00 95.99 4 A 1 ATOM 33 C CG . LYS A 1 4 ? -5.771 -9.604 6.325 1.00 95.47 4 A 1 ATOM 34 C CD . LYS A 1 4 ? -6.040 -9.599 4.812 1.00 93.77 4 A 1 ATOM 35 C CE . LYS A 1 4 ? -4.759 -9.171 4.103 1.00 90.12 4 A 1 ATOM 36 N NZ . LYS A 1 4 ? -4.976 -8.817 2.683 1.00 86.69 4 A 1 ATOM 37 N N . ASP A 1 5 ? -4.471 -10.179 9.404 1.00 97.54 5 A 1 ATOM 38 C CA . ASP A 1 5 ? -3.265 -10.795 9.971 1.00 98.23 5 A 1 ATOM 39 C C . ASP A 1 5 ? -2.733 -9.950 11.142 1.00 98.51 5 A 1 ATOM 40 O O . ASP A 1 5 ? -1.879 -9.070 10.996 1.00 98.49 5 A 1 ATOM 41 C CB . ASP A 1 5 ? -2.209 -11.025 8.874 1.00 98.16 5 A 1 ATOM 42 C CG . ASP A 1 5 ? -0.926 -11.676 9.421 1.00 97.94 5 A 1 ATOM 43 O OD1 . ASP A 1 5 ? -0.921 -12.097 10.605 1.00 96.44 5 A 1 ATOM 44 O OD2 . ASP A 1 5 ? 0.067 -11.710 8.667 1.00 96.17 5 A 1 ATOM 45 N N . ALA A 1 6 ? -3.273 -10.226 12.332 1.00 98.32 6 A 1 ATOM 46 C CA . ALA A 1 6 ? -2.866 -9.548 13.561 1.00 98.46 6 A 1 ATOM 47 C C . ALA A 1 6 ? -1.437 -9.923 13.999 1.00 98.63 6 A 1 ATOM 48 O O . ALA A 1 6 ? -0.745 -9.101 14.600 1.00 98.37 6 A 1 ATOM 49 C CB . ALA A 1 6 ? -3.896 -9.878 14.651 1.00 98.19 6 A 1 ATOM 50 N N . GLU A 1 7 ? -0.981 -11.135 13.690 1.00 98.43 7 A 1 ATOM 51 C CA . GLU A 1 7 ? 0.370 -11.586 14.037 1.00 98.39 7 A 1 ATOM 52 C C . GLU A 1 7 ? 1.426 -10.876 13.177 1.00 98.49 7 A 1 ATOM 53 O O . GLU A 1 7 ? 2.426 -10.381 13.706 1.00 98.24 7 A 1 ATOM 54 C CB . GLU A 1 7 ? 0.455 -13.117 13.888 1.00 98.17 7 A 1 ATOM 55 C CG . GLU A 1 7 ? 1.774 -13.665 14.461 1.00 88.40 7 A 1 ATOM 56 C CD . GLU A 1 7 ? 1.993 -15.170 14.213 1.00 83.64 7 A 1 ATOM 57 O OE1 . GLU A 1 7 ? 3.183 -15.585 14.279 1.00 75.52 7 A 1 ATOM 58 O OE2 . GLU A 1 7 ? 1.031 -15.900 13.921 1.00 78.50 7 A 1 ATOM 59 N N . GLY A 1 8 ? 1.185 -10.757 11.867 1.00 98.38 8 A 1 ATOM 60 C CA . GLY A 1 8 ? 2.044 -9.997 10.955 1.00 98.34 8 A 1 ATOM 61 C C . GLY A 1 8 ? 2.139 -8.518 11.326 1.00 98.53 8 A 1 ATOM 62 O O . GLY A 1 8 ? 3.230 -7.938 11.318 1.00 98.39 8 A 1 ATOM 63 N N . TRP A 1 9 ? 1.022 -7.912 11.734 1.00 98.66 9 A 1 ATOM 64 C CA . TRP A 1 9 ? 1.016 -6.544 12.260 1.00 98.68 9 A 1 ATOM 65 C C . TRP A 1 9 ? 1.857 -6.418 13.533 1.00 98.69 9 A 1 ATOM 66 O O . TRP A 1 9 ? 2.734 -5.557 13.610 1.00 98.53 9 A 1 ATOM 67 C CB . TRP A 1 9 ? -0.420 -6.080 12.515 1.00 98.54 9 A 1 ATOM 68 C CG . TRP A 1 9 ? -0.516 -4.689 13.074 1.00 98.45 9 A 1 ATOM 69 C CD1 . TRP A 1 9 ? -1.004 -4.345 14.287 1.00 97.76 9 A 1 ATOM 70 C CD2 . TRP A 1 9 ? -0.085 -3.440 12.454 1.00 98.22 9 A 1 ATOM 71 N NE1 . TRP A 1 9 ? -0.929 -2.976 14.453 1.00 97.39 9 A 1 ATOM 72 C CE2 . TRP A 1 9 ? -0.368 -2.367 13.351 1.00 97.79 9 A 1 ATOM 73 C CE3 . TRP A 1 9 ? 0.514 -3.109 11.219 1.00 97.57 9 A 1 ATOM 74 C CZ2 . TRP A 1 9 ? -0.080 -1.031 13.037 1.00 97.02 9 A 1 ATOM 75 C CZ3 . TRP A 1 9 ? 0.811 -1.770 10.895 1.00 96.63 9 A 1 ATOM 76 C CH2 . TRP A 1 9 ? 0.515 -0.733 11.799 1.00 96.36 9 A 1 ATOM 77 N N . GLN A 1 10 ? 1.660 -7.307 14.509 1.00 98.54 10 A 1 ATOM 78 C CA . GLN A 1 10 ? 2.400 -7.303 15.772 1.00 98.50 10 A 1 ATOM 79 C C . GLN A 1 10 ? 3.916 -7.464 15.548 1.00 98.53 10 A 1 ATOM 80 O O . GLN A 1 10 ? 4.697 -6.672 16.077 1.00 98.50 10 A 1 ATOM 81 C CB . GLN A 1 10 ? 1.822 -8.403 16.680 1.00 98.35 10 A 1 ATOM 82 C CG . GLN A 1 10 ? 2.519 -8.488 18.046 1.00 92.06 10 A 1 ATOM 83 C CD . GLN A 1 10 ? 2.431 -7.211 18.877 1.00 85.37 10 A 1 ATOM 84 O OE1 . GLN A 1 10 ? 1.539 -6.382 18.745 1.00 79.77 10 A 1 ATOM 85 N NE2 . GLN A 1 10 ? 3.368 -7.018 19.775 1.00 74.78 10 A 1 ATOM 86 N N . LYS A 1 11 ? 4.329 -8.398 14.691 1.00 98.50 11 A 1 ATOM 87 C CA . LYS A 1 11 ? 5.744 -8.572 14.306 1.00 98.33 11 A 1 ATOM 88 C C . LYS A 1 11 ? 6.329 -7.306 13.678 1.00 98.32 11 A 1 ATOM 89 O O . LYS A 1 11 ? 7.459 -6.930 13.980 1.00 98.10 11 A 1 ATOM 90 C CB . LYS A 1 11 ? 5.874 -9.733 13.311 1.00 98.20 11 A 1 ATOM 91 C CG . LYS A 1 11 ? 5.737 -11.090 14.006 1.00 93.93 11 A 1 ATOM 92 C CD . LYS A 1 11 ? 5.709 -12.217 12.969 1.00 90.87 11 A 1 ATOM 93 C CE . LYS A 1 11 ? 5.522 -13.546 13.697 1.00 85.00 11 A 1 ATOM 94 N NZ . LYS A 1 11 ? 5.135 -14.639 12.776 1.00 76.90 11 A 1 ATOM 95 N N . SER A 1 12 ? 5.547 -6.622 12.839 1.00 98.47 12 A 1 ATOM 96 C CA . SER A 1 12 ? 5.975 -5.364 12.221 1.00 98.33 12 A 1 ATOM 97 C C . SER A 1 12 ? 6.167 -4.261 13.264 1.00 98.23 12 A 1 ATOM 98 O O . SER A 1 12 ? 7.161 -3.543 13.213 1.00 97.76 12 A 1 ATOM 99 C CB . SER A 1 12 ? 4.975 -4.917 11.149 1.00 98.14 12 A 1 ATOM 100 O OG . SER A 1 12 ? 4.876 -5.914 10.151 1.00 92.90 12 A 1 ATOM 101 N N . ARG A 1 13 ? 5.268 -4.155 14.252 1.00 98.31 13 A 1 ATOM 102 C CA . ARG A 1 13 ? 5.393 -3.211 15.384 1.00 98.08 13 A 1 ATOM 103 C C . ARG A 1 13 ? 6.624 -3.510 16.247 1.00 98.17 13 A 1 ATOM 104 O O . ARG A 1 13 ? 7.320 -2.583 16.652 1.00 97.91 13 A 1 ATOM 105 C CB . ARG A 1 13 ? 4.118 -3.228 16.251 1.00 97.48 13 A 1 ATOM 106 C CG . ARG A 1 13 ? 2.852 -2.689 15.564 1.00 91.85 13 A 1 ATOM 107 C CD . ARG A 1 13 ? 2.913 -1.193 15.239 1.00 86.31 13 A 1 ATOM 108 N NE . ARG A 1 13 ? 2.852 -0.328 16.436 1.00 79.32 13 A 1 ATOM 109 C CZ . ARG A 1 13 ? 1.891 0.546 16.724 1.00 72.41 13 A 1 ATOM 110 N NH1 . ARG A 1 13 ? 0.814 0.673 16.006 1.00 65.22 13 A 1 ATOM 111 N NH2 . ARG A 1 13 ? 1.990 1.340 17.742 1.00 64.77 13 A 1 ATOM 112 N N . GLU A 1 14 ? 6.907 -4.779 16.516 1.00 97.95 14 A 1 ATOM 113 C CA . GLU A 1 14 ? 8.074 -5.209 17.299 1.00 97.97 14 A 1 ATOM 114 C C . GLU A 1 14 ? 9.403 -4.938 16.578 1.00 97.82 14 A 1 ATOM 115 O O . GLU A 1 14 ? 10.363 -4.514 17.213 1.00 97.21 14 A 1 ATOM 116 C CB . GLU A 1 14 ? 7.944 -6.707 17.621 1.00 98.06 14 A 1 ATOM 117 C CG . GLU A 1 14 ? 6.861 -6.953 18.686 1.00 96.16 14 A 1 ATOM 118 C CD . GLU A 1 14 ? 6.521 -8.436 18.897 1.00 95.03 14 A 1 ATOM 119 O OE1 . GLU A 1 14 ? 5.564 -8.681 19.676 1.00 89.07 14 A 1 ATOM 120 O OE2 . GLU A 1 14 ? 7.179 -9.311 18.289 1.00 90.69 14 A 1 ATOM 121 N N . ALA A 1 15 ? 9.440 -5.138 15.257 1.00 97.99 15 A 1 ATOM 122 C CA . ALA A 1 15 ? 10.638 -4.928 14.445 1.00 97.67 15 A 1 ATOM 123 C C . ALA A 1 15 ? 10.975 -3.443 14.195 1.00 97.45 15 A 1 ATOM 124 O O . ALA A 1 15 ? 12.127 -3.129 13.904 1.00 96.44 15 A 1 ATOM 125 C CB . ALA A 1 15 ? 10.449 -5.688 13.125 1.00 97.40 15 A 1 ATOM 126 N N . ASN A 1 16 ? 10.003 -2.528 14.306 1.00 97.59 16 A 1 ATOM 127 C CA . ASN A 1 16 ? 10.148 -1.115 13.938 1.00 96.85 16 A 1 ATOM 128 C C . ASN A 1 16 ? 9.939 -0.192 15.149 1.00 96.60 16 A 1 ATOM 129 O O . ASN A 1 16 ? 8.974 0.572 15.222 1.00 95.25 16 A 1 ATOM 130 C CB . ASN A 1 16 ? 9.214 -0.790 12.763 1.00 95.99 16 A 1 ATOM 131 C CG . ASN A 1 16 ? 9.601 -1.494 11.481 1.00 94.12 16 A 1 ATOM 132 O OD1 . ASN A 1 16 ? 10.407 -1.018 10.703 1.00 88.28 16 A 1 ATOM 133 N ND2 . ASN A 1 16 ? 9.032 -2.648 11.207 1.00 88.69 16 A 1 ATOM 134 N N . GLN A 1 17 ? 10.839 -0.279 16.124 1.00 96.71 17 A 1 ATOM 135 C CA . GLN A 1 17 ? 10.801 0.543 17.345 1.00 96.20 17 A 1 ATOM 136 C C . GLN A 1 17 ? 11.608 1.850 17.232 1.00 96.47 17 A 1 ATOM 137 O O . GLN A 1 17 ? 11.471 2.735 18.080 1.00 94.54 17 A 1 ATOM 138 C CB . GLN A 1 17 ? 11.293 -0.293 18.539 1.00 95.42 17 A 1 ATOM 139 C CG . GLN A 1 17 ? 10.387 -1.493 18.846 1.00 93.33 17 A 1 ATOM 140 C CD . GLN A 1 17 ? 8.978 -1.084 19.269 1.00 87.02 17 A 1 ATOM 141 O OE1 . GLN A 1 17 ? 8.775 -0.277 20.158 1.00 78.64 17 A 1 ATOM 142 N NE2 . GLN A 1 17 ? 7.949 -1.620 18.648 1.00 75.87 17 A 1 ATOM 143 N N . ASP A 1 18 ? 12.452 1.982 16.207 1.00 96.71 18 A 1 ATOM 144 C CA . ASP A 1 18 ? 13.177 3.223 15.941 1.00 96.41 18 A 1 ATOM 145 C C . ASP A 1 18 ? 12.214 4.338 15.473 1.00 96.81 18 A 1 ATOM 146 O O . ASP A 1 18 ? 11.129 4.046 14.952 1.00 96.44 18 A 1 ATOM 147 C CB . ASP A 1 18 ? 14.301 2.972 14.925 1.00 95.41 18 A 1 ATOM 148 C CG . ASP A 1 18 ? 13.733 2.769 13.528 1.00 90.47 18 A 1 ATOM 149 O OD1 . ASP A 1 18 ? 13.638 3.790 12.806 1.00 86.03 18 A 1 ATOM 150 O OD2 . ASP A 1 18 ? 13.309 1.635 13.225 1.00 85.72 18 A 1 ATOM 151 N N . PRO A 1 19 ? 12.578 5.630 15.632 1.00 95.79 19 A 1 ATOM 152 C CA . PRO A 1 19 ? 11.680 6.735 15.294 1.00 95.51 19 A 1 ATOM 153 C C . PRO A 1 19 ? 11.187 6.734 13.840 1.00 95.74 19 A 1 ATOM 154 O O . PRO A 1 19 ? 10.059 7.144 13.584 1.00 95.14 19 A 1 ATOM 155 C CB . PRO A 1 19 ? 12.475 8.011 15.601 1.00 95.01 19 A 1 ATOM 156 C CG . PRO A 1 19 ? 13.430 7.570 16.714 1.00 93.61 19 A 1 ATOM 157 C CD . PRO A 1 19 ? 13.768 6.135 16.314 1.00 95.14 19 A 1 ATOM 158 N N . TYR A 1 20 ? 12.015 6.276 12.889 1.00 95.70 20 A 1 ATOM 159 C CA . TYR A 1 20 ? 11.670 6.276 11.469 1.00 95.46 20 A 1 ATOM 160 C C . TYR A 1 20 ? 10.682 5.149 11.133 1.00 95.86 20 A 1 ATOM 161 O O . TYR A 1 20 ? 9.625 5.405 10.558 1.00 95.66 20 A 1 ATOM 162 C CB . TYR A 1 20 ? 12.961 6.190 10.642 1.00 94.29 20 A 1 ATOM 163 C CG . TYR A 1 20 ? 12.745 6.274 9.139 1.00 92.78 20 A 1 ATOM 164 C CD1 . TYR A 1 20 ? 12.575 5.099 8.381 1.00 90.46 20 A 1 ATOM 165 C CD2 . TYR A 1 20 ? 12.719 7.532 8.502 1.00 90.24 20 A 1 ATOM 166 C CE1 . TYR A 1 20 ? 12.386 5.178 6.986 1.00 88.45 20 A 1 ATOM 167 C CE2 . TYR A 1 20 ? 12.533 7.616 7.105 1.00 87.86 20 A 1 ATOM 168 C CZ . TYR A 1 20 ? 12.366 6.436 6.348 1.00 88.15 20 A 1 ATOM 169 O OH . TYR A 1 20 ? 12.191 6.510 4.999 1.00 85.75 20 A 1 ATOM 170 N N . GLY A 1 21 ? 10.980 3.919 11.545 1.00 96.00 21 A 1 ATOM 171 C CA . GLY A 1 21 ? 10.088 2.776 11.350 1.00 96.08 21 A 1 ATOM 172 C C . GLY A 1 21 ? 8.760 2.948 12.084 1.00 96.75 21 A 1 ATOM 173 O O . GLY A 1 21 ? 7.695 2.725 11.502 1.00 96.76 21 A 1 ATOM 174 N N . LYS A 1 22 ? 8.798 3.435 13.334 1.00 96.74 22 A 1 ATOM 175 C CA . LYS A 1 22 ? 7.599 3.717 14.124 1.00 97.06 22 A 1 ATOM 176 C C . LYS A 1 22 ? 6.689 4.750 13.449 1.00 97.46 22 A 1 ATOM 177 O O . LYS A 1 22 ? 5.490 4.519 13.388 1.00 97.56 22 A 1 ATOM 178 C CB . LYS A 1 22 ? 7.998 4.157 15.537 1.00 96.84 22 A 1 ATOM 179 C CG . LYS A 1 22 ? 6.754 4.264 16.429 1.00 94.78 22 A 1 ATOM 180 C CD . LYS A 1 22 ? 7.089 4.819 17.818 1.00 92.52 22 A 1 ATOM 181 C CE . LYS A 1 22 ? 5.828 4.875 18.689 1.00 87.54 22 A 1 ATOM 182 N NZ . LYS A 1 22 ? 4.747 5.684 18.075 1.00 79.16 22 A 1 ATOM 183 N N . ALA A 1 23 ? 7.246 5.843 12.921 1.00 96.90 23 A 1 ATOM 184 C CA . ALA A 1 23 ? 6.461 6.867 12.226 1.00 96.92 23 A 1 ATOM 185 C C . ALA A 1 23 ? 5.707 6.289 11.013 1.00 97.30 23 A 1 ATOM 186 O O . ALA A 1 23 ? 4.531 6.577 10.818 1.00 97.32 23 A 1 ATOM 187 C CB . ALA A 1 23 ? 7.400 8.010 11.819 1.00 96.69 23 A 1 ATOM 188 N N . GLY A 1 24 ? 6.353 5.417 10.234 1.00 97.14 24 A 1 ATOM 189 C CA . GLY A 1 24 ? 5.702 4.737 9.109 1.00 97.32 24 A 1 ATOM 190 C C . GLY A 1 24 ? 4.554 3.811 9.530 1.00 97.84 24 A 1 ATOM 191 O O . GLY A 1 24 ? 3.527 3.756 8.852 1.00 97.78 24 A 1 ATOM 192 N N . LEU A 1 25 ? 4.694 3.110 10.660 1.00 97.95 25 A 1 ATOM 193 C CA . LEU A 1 25 ? 3.627 2.256 11.201 1.00 98.16 25 A 1 ATOM 194 C C . LEU A 1 25 ? 2.464 3.066 11.783 1.00 98.33 25 A 1 ATOM 195 O O . LEU A 1 25 ? 1.309 2.739 11.514 1.00 98.19 25 A 1 ATOM 196 C CB . LEU A 1 25 ? 4.198 1.323 12.273 1.00 97.88 25 A 1 ATOM 197 C CG . LEU A 1 25 ? 5.177 0.263 11.748 1.00 96.03 25 A 1 ATOM 198 C CD1 . LEU A 1 25 ? 5.630 -0.590 12.927 1.00 93.24 25 A 1 ATOM 199 C CD2 . LEU A 1 25 ? 4.548 -0.673 10.718 1.00 92.81 25 A 1 ATOM 200 N N . ASP A 1 26 ? 2.757 4.119 12.537 1.00 97.92 26 A 1 ATOM 201 C CA . ASP A 1 26 ? 1.733 4.997 13.108 1.00 97.90 26 A 1 ATOM 202 C C . ASP A 1 26 ? 0.926 5.681 11.993 1.00 98.16 26 A 1 ATOM 203 O O . ASP A 1 26 ? -0.304 5.749 12.065 1.00 98.12 26 A 1 ATOM 204 C CB . ASP A 1 26 ? 2.393 6.050 14.018 1.00 97.65 26 A 1 ATOM 205 C CG . ASP A 1 26 ? 3.002 5.529 15.332 1.00 96.75 26 A 1 ATOM 206 O OD1 . ASP A 1 26 ? 2.815 4.364 15.756 1.00 94.82 26 A 1 ATOM 207 O OD2 . ASP A 1 26 ? 3.676 6.332 16.021 1.00 94.18 26 A 1 ATOM 208 N N . TYR A 1 27 ? 1.595 6.111 10.918 1.00 97.97 27 A 1 ATOM 209 C CA . TYR A 1 27 ? 0.948 6.603 9.701 1.00 98.18 27 A 1 ATOM 210 C C . TYR A 1 27 ? 0.057 5.535 9.053 1.00 98.42 27 A 1 ATOM 211 O O . TYR A 1 27 ? -1.106 5.804 8.770 1.00 98.43 27 A 1 ATOM 212 C CB . TYR A 1 27 ? 2.013 7.086 8.712 1.00 98.11 27 A 1 ATOM 213 C CG . TYR A 1 27 ? 1.481 7.247 7.298 1.00 98.08 27 A 1 ATOM 214 C CD1 . TYR A 1 27 ? 1.699 6.231 6.341 1.00 97.68 27 A 1 ATOM 215 C CD2 . TYR A 1 27 ? 0.709 8.374 6.960 1.00 97.73 27 A 1 ATOM 216 C CE1 . TYR A 1 27 ? 1.159 6.350 5.048 1.00 97.44 27 A 1 ATOM 217 C CE2 . TYR A 1 27 ? 0.170 8.496 5.664 1.00 97.35 27 A 1 ATOM 218 C CZ . TYR A 1 27 ? 0.400 7.483 4.709 1.00 97.54 27 A 1 ATOM 219 O OH . TYR A 1 27 ? -0.108 7.602 3.456 1.00 96.96 27 A 1 ATOM 220 N N . ALA A 1 28 ? 0.570 4.323 8.833 1.00 98.25 28 A 1 ATOM 221 C CA . ALA A 1 28 ? -0.182 3.240 8.196 1.00 98.38 28 A 1 ATOM 222 C C . ALA A 1 28 ? -1.463 2.893 8.977 1.00 98.47 28 A 1 ATOM 223 O O . ALA A 1 28 ? -2.531 2.742 8.382 1.00 98.45 28 A 1 ATOM 224 C CB . ALA A 1 28 ? 0.735 2.016 8.060 1.00 98.31 28 A 1 ATOM 225 N N . GLU A 1 29 ? -1.371 2.802 10.302 1.00 98.40 29 A 1 ATOM 226 C CA . GLU A 1 29 ? -2.510 2.544 11.192 1.00 98.35 29 A 1 ATOM 227 C C . GLU A 1 29 ? -3.555 3.657 11.086 1.00 98.39 29 A 1 ATOM 228 O O . GLU A 1 29 ? -4.717 3.381 10.779 1.00 98.17 29 A 1 ATOM 229 C CB . GLU A 1 29 ? -1.988 2.362 12.625 1.00 97.99 29 A 1 ATOM 230 C CG . GLU A 1 29 ? -3.063 1.996 13.659 1.00 96.20 29 A 1 ATOM 231 C CD . GLU A 1 29 ? -2.409 1.398 14.925 1.00 95.54 29 A 1 ATOM 232 O OE1 . GLU A 1 29 ? -2.777 0.267 15.304 1.00 89.58 29 A 1 ATOM 233 O OE2 . GLU A 1 29 ? -1.428 1.972 15.463 1.00 90.46 29 A 1 ATOM 234 N N . ARG A 1 30 ? -3.135 4.909 11.232 1.00 98.28 30 A 1 ATOM 235 C CA . ARG A 1 30 ? -4.009 6.084 11.141 1.00 98.27 30 A 1 ATOM 236 C C . ARG A 1 30 ? -4.697 6.189 9.778 1.00 98.43 30 A 1 ATOM 237 O O . ARG A 1 30 ? -5.893 6.455 9.710 1.00 98.27 30 A 1 ATOM 238 C CB . ARG A 1 30 ? -3.170 7.331 11.441 1.00 97.81 30 A 1 ATOM 239 C CG . ARG A 1 30 ? -4.026 8.580 11.643 1.00 94.52 30 A 1 ATOM 240 C CD . ARG A 1 30 ? -3.169 9.827 11.853 1.00 94.58 30 A 1 ATOM 241 N NE . ARG A 1 30 ? -2.164 9.639 12.923 1.00 91.46 30 A 1 ATOM 242 C CZ . ARG A 1 30 ? -0.843 9.659 12.797 1.00 91.80 30 A 1 ATOM 243 N NH1 . ARG A 1 30 ? -0.241 9.907 11.685 1.00 82.93 30 A 1 ATOM 244 N NH2 . ARG A 1 30 ? -0.083 9.427 13.809 1.00 83.53 30 A 1 ATOM 245 N N . TRP A 1 31 ? -3.956 5.935 8.699 1.00 98.10 31 A 1 ATOM 246 C CA . TRP A 1 31 ? -4.493 5.958 7.339 1.00 98.24 31 A 1 ATOM 247 C C . TRP A 1 31 ? -5.574 4.894 7.137 1.00 98.35 31 A 1 ATOM 248 O O . TRP A 1 31 ? -6.661 5.204 6.648 1.00 98.13 31 A 1 ATOM 249 C CB . TRP A 1 31 ? -3.347 5.788 6.341 1.00 98.01 31 A 1 ATOM 250 C CG . TRP A 1 31 ? -3.725 5.898 4.895 1.00 97.91 31 A 1 ATOM 251 C CD1 . TRP A 1 31 ? -4.783 6.581 4.397 1.00 97.25 31 A 1 ATOM 252 C CD2 . TRP A 1 31 ? -3.043 5.338 3.739 1.00 97.76 31 A 1 ATOM 253 N NE1 . TRP A 1 31 ? -4.807 6.474 3.022 1.00 96.85 31 A 1 ATOM 254 C CE2 . TRP A 1 31 ? -3.749 5.724 2.558 1.00 97.27 31 A 1 ATOM 255 C CE3 . TRP A 1 31 ? -1.889 4.544 3.558 1.00 96.73 31 A 1 ATOM 256 C CZ2 . TRP A 1 31 ? -3.329 5.365 1.273 1.00 96.25 31 A 1 ATOM 257 C CZ3 . TRP A 1 31 ? -1.465 4.180 2.268 1.00 96.30 31 A 1 ATOM 258 C CH2 . TRP A 1 31 ? -2.182 4.588 1.128 1.00 95.77 31 A 1 ATOM 259 N N . ALA A 1 32 ? -5.327 3.653 7.583 1.00 98.16 32 A 1 ATOM 260 C CA . ALA A 1 32 ? -6.318 2.579 7.532 1.00 98.10 32 A 1 ATOM 261 C C . ALA A 1 32 ? -7.570 2.916 8.362 1.00 97.86 32 A 1 ATOM 262 O O . ALA A 1 32 ? -8.685 2.767 7.871 1.00 97.66 32 A 1 ATOM 263 C CB . ALA A 1 32 ? -5.658 1.278 7.995 1.00 98.10 32 A 1 ATOM 264 N N . GLU A 1 33 ? -7.405 3.431 9.587 1.00 98.05 33 A 1 ATOM 265 C CA . GLU A 1 33 ? -8.517 3.826 10.459 1.00 97.80 33 A 1 ATOM 266 C C . GLU A 1 33 ? -9.366 4.956 9.864 1.00 97.60 33 A 1 ATOM 267 O O . GLU A 1 33 ? -10.590 4.924 9.968 1.00 96.99 33 A 1 ATOM 268 C CB . GLU A 1 33 ? -7.984 4.257 11.827 1.00 97.60 33 A 1 ATOM 269 C CG . GLU A 1 33 ? -7.502 3.050 12.636 1.00 95.73 33 A 1 ATOM 270 C CD . GLU A 1 33 ? -6.933 3.418 14.008 1.00 93.89 33 A 1 ATOM 271 O OE1 . GLU A 1 33 ? -6.820 2.467 14.822 1.00 86.99 33 A 1 ATOM 272 O OE2 . GLU A 1 33 ? -6.640 4.609 14.249 1.00 87.44 33 A 1 ATOM 273 N N . MET A 1 34 ? -8.738 5.928 9.207 1.00 97.57 34 A 1 ATOM 274 C CA . MET A 1 34 ? -9.457 6.999 8.510 1.00 97.41 34 A 1 ATOM 275 C C . MET A 1 34 ? -10.276 6.463 7.338 1.00 97.25 34 A 1 ATOM 276 O O . MET A 1 34 ? -11.434 6.846 7.189 1.00 96.62 34 A 1 ATOM 277 C CB . MET A 1 34 ? -8.473 8.064 8.015 1.00 97.42 34 A 1 ATOM 278 C CG . MET A 1 34 ? -7.941 8.926 9.160 1.00 95.96 34 A 1 ATOM 279 S SD . MET A 1 34 ? -6.847 10.244 8.579 1.00 93.88 34 A 1 ATOM 280 C CE . MET A 1 34 ? -6.428 10.987 10.169 1.00 86.10 34 A 1 ATOM 281 N N . MET A 1 35 ? -9.717 5.555 6.534 1.00 97.21 35 A 1 ATOM 282 C CA . MET A 1 35 ? -10.453 4.918 5.434 1.00 96.94 35 A 1 ATOM 283 C C . MET A 1 35 ? -11.622 4.064 5.942 1.00 96.58 35 A 1 ATOM 284 O O . MET A 1 35 ? -12.708 4.109 5.365 1.00 96.37 35 A 1 ATOM 285 C CB . MET A 1 35 ? -9.502 4.071 4.583 1.00 97.03 35 A 1 ATOM 286 C CG . MET A 1 35 ? -8.564 4.930 3.729 1.00 96.55 35 A 1 ATOM 287 S SD . MET A 1 35 ? -7.531 3.969 2.587 1.00 96.27 35 A 1 ATOM 288 C CE . MET A 1 35 ? -6.317 3.283 3.734 1.00 92.18 35 A 1 ATOM 289 N N . GLU A 1 36 ? -11.445 3.342 7.052 1.00 96.75 36 A 1 ATOM 290 C CA . GLU A 1 36 ? -12.493 2.505 7.651 1.00 96.12 36 A 1 ATOM 291 C C . GLU A 1 36 ? -13.745 3.281 8.077 1.00 95.90 36 A 1 ATOM 292 O O . GLU A 1 36 ? -14.831 2.708 8.063 1.00 94.82 36 A 1 ATOM 293 C CB . GLU A 1 36 ? -11.950 1.762 8.875 1.00 94.67 36 A 1 ATOM 294 C CG . GLU A 1 36 ? -11.132 0.539 8.467 1.00 92.43 36 A 1 ATOM 295 C CD . GLU A 1 36 ? -10.553 -0.234 9.655 1.00 94.87 36 A 1 ATOM 296 O OE1 . GLU A 1 36 ? -9.842 -1.233 9.388 1.00 88.98 36 A 1 ATOM 297 O OE2 . GLU A 1 36 ? -10.811 0.107 10.826 1.00 91.04 36 A 1 ATOM 298 N N . GLN A 1 37 ? -13.625 4.565 8.413 1.00 96.20 37 A 1 ATOM 299 C CA . GLN A 1 37 ? -14.783 5.408 8.755 1.00 95.35 37 A 1 ATOM 300 C C . GLN A 1 37 ? -15.781 5.551 7.597 1.00 95.60 37 A 1 ATOM 301 O O . GLN A 1 37 ? -16.951 5.856 7.822 1.00 94.46 37 A 1 ATOM 302 C CB . GLN A 1 37 ? -14.301 6.804 9.188 1.00 95.17 37 A 1 ATOM 303 C CG . GLN A 1 37 ? -13.515 6.763 10.506 1.00 92.45 37 A 1 ATOM 304 C CD . GLN A 1 37 ? -12.923 8.112 10.897 1.00 85.97 37 A 1 ATOM 305 O OE1 . GLN A 1 37 ? -13.257 9.171 10.391 1.00 79.42 37 A 1 ATOM 306 N NE2 . GLN A 1 37 ? -12.024 8.127 11.853 1.00 74.45 37 A 1 ATOM 307 N N . TRP A 1 38 ? -15.332 5.314 6.356 1.00 95.04 38 A 1 ATOM 308 C CA . TRP A 1 38 ? -16.153 5.369 5.146 1.00 94.23 38 A 1 ATOM 309 C C . TRP A 1 38 ? -16.642 3.990 4.683 1.00 95.07 38 A 1 ATOM 310 O O . TRP A 1 38 ? -17.335 3.894 3.666 1.00 93.26 38 A 1 ATOM 311 C CB . TRP A 1 38 ? -15.348 6.082 4.055 1.00 93.65 38 A 1 ATOM 312 C CG . TRP A 1 38 ? -14.913 7.466 4.435 1.00 92.70 38 A 1 ATOM 313 C CD1 . TRP A 1 38 ? -13.727 7.796 4.994 1.00 87.49 38 A 1 ATOM 314 C CD2 . TRP A 1 38 ? -15.676 8.710 4.353 1.00 90.53 38 A 1 ATOM 315 N NE1 . TRP A 1 38 ? -13.697 9.154 5.262 1.00 85.10 38 A 1 ATOM 316 C CE2 . TRP A 1 38 ? -14.874 9.765 4.884 1.00 88.47 38 A 1 ATOM 317 C CE3 . TRP A 1 38 ? -16.966 9.045 3.888 1.00 85.24 38 A 1 ATOM 318 C CZ2 . TRP A 1 38 ? -15.329 11.091 4.949 1.00 86.25 38 A 1 ATOM 319 C CZ3 . TRP A 1 38 ? -17.431 10.374 3.951 1.00 83.86 38 A 1 ATOM 320 C CH2 . TRP A 1 38 ? -16.615 11.395 4.477 1.00 83.08 38 A 1 ATOM 321 N N . ILE A 1 39 ? -16.288 2.923 5.408 1.00 93.46 39 A 1 ATOM 322 C CA . ILE A 1 39 ? -16.575 1.534 5.038 1.00 93.01 39 A 1 ATOM 323 C C . ILE A 1 39 ? -17.386 0.862 6.160 1.00 91.91 39 A 1 ATOM 324 O O . ILE A 1 39 ? -16.802 0.357 7.130 1.00 90.52 39 A 1 ATOM 325 C CB . ILE A 1 39 ? -15.266 0.776 4.718 1.00 93.63 39 A 1 ATOM 326 C CG1 . ILE A 1 39 ? -14.451 1.472 3.594 1.00 92.40 39 A 1 ATOM 327 C CG2 . ILE A 1 39 ? -15.602 -0.671 4.303 1.00 91.48 39 A 1 ATOM 328 C CD1 . ILE A 1 39 ? -13.033 0.911 3.408 1.00 90.77 39 A 1 ATOM 329 N N . PRO A 1 40 ? -18.735 0.819 6.054 1.00 92.71 40 A 1 ATOM 330 C CA . PRO A 1 40 ? -19.580 0.036 6.955 1.00 91.00 40 A 1 ATOM 331 C C . PRO A 1 40 ? -19.172 -1.446 7.000 1.00 90.16 40 A 1 ATOM 332 O O . PRO A 1 40 ? -18.674 -1.988 6.012 1.00 89.16 40 A 1 ATOM 333 C CB . PRO A 1 40 ? -21.014 0.214 6.440 1.00 90.52 40 A 1 ATOM 334 C CG . PRO A 1 40 ? -20.966 1.547 5.694 1.00 89.41 40 A 1 ATOM 335 C CD . PRO A 1 40 ? -19.562 1.552 5.097 1.00 91.06 40 A 1 ATOM 336 N N . GLU A 1 41 ? -19.395 -2.113 8.137 1.00 89.73 41 A 1 ATOM 337 C CA . GLU A 1 41 ? -18.972 -3.510 8.354 1.00 87.27 41 A 1 ATOM 338 C C . GLU A 1 41 ? -19.621 -4.510 7.381 1.00 85.38 41 A 1 ATOM 339 O O . GLU A 1 41 ? -19.006 -5.501 7.010 1.00 78.98 41 A 1 ATOM 340 C CB . GLU A 1 41 ? -19.304 -3.938 9.795 1.00 84.55 41 A 1 ATOM 341 C CG . GLU A 1 41 ? -18.462 -3.201 10.853 1.00 75.89 41 A 1 ATOM 342 C CD . GLU A 1 41 ? -18.736 -3.677 12.295 1.00 71.96 41 A 1 ATOM 343 O OE1 . GLU A 1 41 ? -17.989 -3.230 13.196 1.00 64.99 41 A 1 ATOM 344 O OE2 . GLU A 1 41 ? -19.692 -4.459 12.500 1.00 66.06 41 A 1 ATOM 345 N N . ASP A 1 42 ? -20.855 -4.242 6.948 1.00 86.75 42 A 1 ATOM 346 C CA . ASP A 1 42 ? -21.638 -5.073 6.027 1.00 86.92 42 A 1 ATOM 347 C C . ASP A 1 42 ? -21.438 -4.704 4.543 1.00 89.58 42 A 1 ATOM 348 O O . ASP A 1 42 ? -22.211 -5.115 3.672 1.00 85.40 42 A 1 ATOM 349 C CB . ASP A 1 42 ? -23.116 -5.031 6.456 1.00 83.49 42 A 1 ATOM 350 C CG . ASP A 1 42 ? -23.786 -3.654 6.308 1.00 74.14 42 A 1 ATOM 351 O OD1 . ASP A 1 42 ? -23.077 -2.622 6.381 1.00 69.29 42 A 1 ATOM 352 O OD2 . ASP A 1 42 ? -25.030 -3.644 6.167 1.00 68.66 42 A 1 ATOM 353 N N . SER A 1 43 ? -20.397 -3.929 4.229 1.00 88.47 43 A 1 ATOM 354 C CA . SER A 1 43 ? -20.117 -3.474 2.867 1.00 88.46 43 A 1 ATOM 355 C C . SER A 1 43 ? -19.729 -4.617 1.927 1.00 89.06 43 A 1 ATOM 356 O O . SER A 1 43 ? -18.923 -5.486 2.252 1.00 87.93 43 A 1 ATOM 357 C CB . SER A 1 43 ? -19.006 -2.426 2.852 1.00 86.97 43 A 1 ATOM 358 O OG . SER A 1 43 ? -19.457 -1.246 3.482 1.00 83.84 43 A 1 ATOM 359 N N . THR A 1 44 ? -20.236 -4.555 0.704 1.00 88.33 44 A 1 ATOM 360 C CA . THR A 1 44 ? -19.783 -5.451 -0.372 1.00 87.74 44 A 1 ATOM 361 C C . THR A 1 44 ? -18.370 -5.084 -0.834 1.00 88.04 44 A 1 ATOM 362 O O . THR A 1 44 ? -17.983 -3.915 -0.791 1.00 89.16 44 A 1 ATOM 363 C CB . THR A 1 44 ? -20.742 -5.432 -1.574 1.00 88.29 44 A 1 ATOM 364 O OG1 . THR A 1 44 ? -20.768 -4.169 -2.196 1.00 86.28 44 A 1 ATOM 365 C CG2 . THR A 1 44 ? -22.183 -5.779 -1.193 1.00 85.36 44 A 1 ATOM 366 N N . GLU A 1 45 ? -17.631 -6.042 -1.397 1.00 88.60 45 A 1 ATOM 367 C CA . GLU A 1 45 ? -16.293 -5.807 -1.969 1.00 88.11 45 A 1 ATOM 368 C C . GLU A 1 45 ? -16.281 -4.661 -3.001 1.00 89.39 45 A 1 ATOM 369 O O . GLU A 1 45 ? -15.405 -3.800 -2.984 1.00 89.94 45 A 1 ATOM 370 C CB . GLU A 1 45 ? -15.822 -7.119 -2.610 1.00 86.98 45 A 1 ATOM 371 C CG . GLU A 1 45 ? -14.373 -7.065 -3.104 1.00 75.21 45 A 1 ATOM 372 C CD . GLU A 1 45 ? -13.934 -8.366 -3.798 1.00 68.68 45 A 1 ATOM 373 O OE1 . GLU A 1 45 ? -12.795 -8.381 -4.314 1.00 62.67 45 A 1 ATOM 374 O OE2 . GLU A 1 45 ? -14.749 -9.318 -3.846 1.00 63.26 45 A 1 ATOM 375 N N . LYS A 1 46 ? -17.318 -4.594 -3.845 1.00 88.30 46 A 1 ATOM 376 C CA . LYS A 1 46 ? -17.485 -3.498 -4.809 1.00 87.95 46 A 1 ATOM 377 C C . LYS A 1 46 ? -17.606 -2.134 -4.122 1.00 89.87 46 A 1 ATOM 378 O O . LYS A 1 46 ? -17.013 -1.164 -4.580 1.00 90.73 46 A 1 ATOM 379 C CB . LYS A 1 46 ? -18.707 -3.784 -5.694 1.00 87.91 46 A 1 ATOM 380 C CG . LYS A 1 46 ? -18.869 -2.703 -6.771 1.00 82.59 46 A 1 ATOM 381 C CD . LYS A 1 46 ? -20.077 -2.969 -7.670 1.00 78.32 46 A 1 ATOM 382 C CE . LYS A 1 46 ? -20.170 -1.817 -8.675 1.00 71.55 46 A 1 ATOM 383 N NZ . LYS A 1 46 ? -21.339 -1.956 -9.574 1.00 62.42 46 A 1 ATOM 384 N N . PHE A 1 47 ? -18.382 -2.054 -3.040 1.00 89.55 47 A 1 ATOM 385 C CA . PHE A 1 47 ? -18.526 -0.817 -2.278 1.00 90.07 47 A 1 ATOM 386 C C . PHE A 1 47 ? -17.208 -0.429 -1.602 1.00 90.82 47 A 1 ATOM 387 O O . PHE A 1 47 ? -16.811 0.725 -1.685 1.00 89.45 47 A 1 ATOM 388 C CB . PHE A 1 47 ? -19.662 -0.955 -1.264 1.00 89.42 47 A 1 ATOM 389 C CG . PHE A 1 47 ? -19.926 0.315 -0.480 1.00 88.43 47 A 1 ATOM 390 C CD1 . PHE A 1 47 ? -19.228 0.569 0.714 1.00 86.74 47 A 1 ATOM 391 C CD2 . PHE A 1 47 ? -20.860 1.255 -0.954 1.00 86.97 47 A 1 ATOM 392 C CE1 . PHE A 1 47 ? -19.470 1.752 1.436 1.00 84.18 47 A 1 ATOM 393 C CE2 . PHE A 1 47 ? -21.106 2.434 -0.232 1.00 84.28 47 A 1 ATOM 394 C CZ . PHE A 1 47 ? -20.409 2.681 0.964 1.00 84.59 47 A 1 ATOM 395 N N . ILE A 1 48 ? -16.503 -1.389 -0.991 1.00 89.60 48 A 1 ATOM 396 C CA . ILE A 1 48 ? -15.193 -1.179 -0.357 1.00 89.37 48 A 1 ATOM 397 C C . ILE A 1 48 ? -14.192 -0.606 -1.366 1.00 90.41 48 A 1 ATOM 398 O O . ILE A 1 48 ? -13.578 0.424 -1.101 1.00 91.69 48 A 1 ATOM 399 C CB . ILE A 1 48 ? -14.682 -2.505 0.257 1.00 91.01 48 A 1 ATOM 400 C CG1 . ILE A 1 48 ? -15.592 -2.942 1.428 1.00 89.68 48 A 1 ATOM 401 C CG2 . ILE A 1 48 ? -13.222 -2.374 0.731 1.00 89.11 48 A 1 ATOM 402 C CD1 . ILE A 1 48 ? -15.413 -4.405 1.836 1.00 86.63 48 A 1 ATOM 403 N N . THR A 1 49 ? -14.077 -1.226 -2.542 1.00 91.66 49 A 1 ATOM 404 C CA . THR A 1 49 ? -13.199 -0.747 -3.621 1.00 90.22 49 A 1 ATOM 405 C C . THR A 1 49 ? -13.532 0.697 -4.000 1.00 90.45 49 A 1 ATOM 406 O O . THR A 1 49 ? -12.654 1.554 -3.988 1.00 91.36 49 A 1 ATOM 407 C CB . THR A 1 49 ? -13.307 -1.660 -4.852 1.00 89.75 49 A 1 ATOM 408 O OG1 . THR A 1 49 ? -12.994 -2.989 -4.510 1.00 86.44 49 A 1 ATOM 409 C CG2 . THR A 1 49 ? -12.347 -1.256 -5.967 1.00 85.19 49 A 1 ATOM 410 N N . GLN A 1 50 ? -14.811 0.997 -4.230 1.00 90.13 50 A 1 ATOM 411 C CA . GLN A 1 50 ? -15.253 2.351 -4.582 1.00 89.77 50 A 1 ATOM 412 C C . GLN A 1 50 ? -14.973 3.377 -3.475 1.00 91.35 50 A 1 ATOM 413 O O . GLN A 1 50 ? -14.631 4.522 -3.765 1.00 92.15 50 A 1 ATOM 414 C CB . GLN A 1 50 ? -16.759 2.313 -4.897 1.00 90.47 50 A 1 ATOM 415 C CG . GLN A 1 50 ? -17.294 3.650 -5.432 1.00 79.18 50 A 1 ATOM 416 C CD . GLN A 1 50 ? -16.701 3.995 -6.792 1.00 74.67 50 A 1 ATOM 417 O OE1 . GLN A 1 50 ? -17.110 3.445 -7.800 1.00 69.70 50 A 1 ATOM 418 N NE2 . GLN A 1 50 ? -15.725 4.868 -6.885 1.00 64.49 50 A 1 ATOM 419 N N . GLN A 1 51 ? -15.142 3.008 -2.198 1.00 92.03 51 A 1 ATOM 420 C CA . GLN A 1 51 ? -14.831 3.926 -1.098 1.00 92.52 51 A 1 ATOM 421 C C . GLN A 1 51 ? -13.334 4.192 -1.002 1.00 93.59 51 A 1 ATOM 422 O O . GLN A 1 51 ? -12.951 5.348 -0.863 1.00 93.39 51 A 1 ATOM 423 C CB . GLN A 1 51 ? -15.365 3.422 0.247 1.00 91.83 51 A 1 ATOM 424 C CG . GLN A 1 51 ? -16.890 3.491 0.377 1.00 86.40 51 A 1 ATOM 425 C CD . GLN A 1 51 ? -17.493 4.820 -0.072 1.00 86.16 51 A 1 ATOM 426 O OE1 . GLN A 1 51 ? -17.132 5.898 0.360 1.00 76.96 51 A 1 ATOM 427 N NE2 . GLN A 1 51 ? -18.429 4.798 -0.996 1.00 74.83 51 A 1 ATOM 428 N N . ILE A 1 52 ? -12.494 3.170 -1.142 1.00 93.59 52 A 1 ATOM 429 C CA . ILE A 1 52 ? -11.037 3.342 -1.147 1.00 94.00 52 A 1 ATOM 430 C C . ILE A 1 52 ? -10.608 4.266 -2.290 1.00 93.92 52 A 1 ATOM 431 O O . ILE A 1 52 ? -9.901 5.231 -2.029 1.00 93.56 52 A 1 ATOM 432 C CB . ILE A 1 52 ? -10.339 1.967 -1.146 1.00 94.48 52 A 1 ATOM 433 C CG1 . ILE A 1 52 ? -10.530 1.359 0.268 1.00 92.24 52 A 1 ATOM 434 C CG2 . ILE A 1 52 ? -8.845 2.085 -1.502 1.00 92.10 52 A 1 ATOM 435 C CD1 . ILE A 1 52 ? -9.944 -0.032 0.457 1.00 86.63 52 A 1 ATOM 436 N N . GLU A 1 53 ? -11.113 4.074 -3.507 1.00 92.44 53 A 1 ATOM 437 C CA . GLU A 1 53 ? -10.857 4.984 -4.639 1.00 91.80 53 A 1 ATOM 438 C C . GLU A 1 53 ? -11.233 6.444 -4.323 1.00 92.58 53 A 1 ATOM 439 O O . GLU A 1 53 ? -10.527 7.372 -4.696 1.00 91.89 53 A 1 ATOM 440 C CB . GLU A 1 53 ? -11.669 4.523 -5.859 1.00 91.06 53 A 1 ATOM 441 C CG . GLU A 1 53 ? -11.129 3.239 -6.511 1.00 84.04 53 A 1 ATOM 442 C CD . GLU A 1 53 ? -12.071 2.655 -7.577 1.00 80.76 53 A 1 ATOM 443 O OE1 . GLU A 1 53 ? -11.775 1.541 -8.068 1.00 73.68 53 A 1 ATOM 444 O OE2 . GLU A 1 53 ? -13.127 3.272 -7.872 1.00 75.00 53 A 1 ATOM 445 N N . ASN A 1 54 ? -12.332 6.653 -3.596 1.00 92.98 54 A 1 ATOM 446 C CA . ASN A 1 54 ? -12.818 7.995 -3.278 1.00 93.17 54 A 1 ATOM 447 C C . ASN A 1 54 ? -12.034 8.691 -2.153 1.00 94.24 54 A 1 ATOM 448 O O . ASN A 1 54 ? -12.021 9.923 -2.093 1.00 93.82 54 A 1 ATOM 449 C CB . ASN A 1 54 ? -14.300 7.894 -2.888 1.00 92.90 54 A 1 ATOM 450 C CG . ASN A 1 54 ? -15.228 7.546 -4.038 1.00 89.00 54 A 1 ATOM 451 O OD1 . ASN A 1 54 ? -14.963 7.748 -5.207 1.00 82.09 54 A 1 ATOM 452 N ND2 . ASN A 1 54 ? -16.406 7.062 -3.727 1.00 80.75 54 A 1 ATOM 453 N N . VAL A 1 55 ? -11.468 7.934 -1.204 1.00 94.13 55 A 1 ATOM 454 C CA . VAL A 1 55 ? -10.954 8.519 0.049 1.00 94.78 55 A 1 ATOM 455 C C . VAL A 1 55 ? -9.475 8.261 0.325 1.00 95.76 55 A 1 ATOM 456 O O . VAL A 1 55 ? -8.914 8.979 1.152 1.00 95.78 55 A 1 ATOM 457 C CB . VAL A 1 55 ? -11.803 8.132 1.278 1.00 94.63 55 A 1 ATOM 458 C CG1 . VAL A 1 55 ? -13.298 8.398 1.043 1.00 91.28 55 A 1 ATOM 459 C CG2 . VAL A 1 55 ? -11.600 6.689 1.753 1.00 90.37 55 A 1 ATOM 460 N N . ALA A 1 56 ? -8.829 7.284 -0.323 1.00 95.41 56 A 1 ATOM 461 C CA . ALA A 1 56 ? -7.485 6.840 0.048 1.00 95.31 56 A 1 ATOM 462 C C . ALA A 1 56 ? -6.442 7.964 -0.031 1.00 95.56 56 A 1 ATOM 463 O O . ALA A 1 56 ? -5.733 8.192 0.951 1.00 95.60 56 A 1 ATOM 464 C CB . ALA A 1 56 ? -7.086 5.640 -0.817 1.00 95.21 56 A 1 ATOM 465 N N . GLU A 1 57 ? -6.398 8.708 -1.133 1.00 95.31 57 A 1 ATOM 466 C CA . GLU A 1 57 ? -5.462 9.830 -1.316 1.00 94.73 57 A 1 ATOM 467 C C . GLU A 1 57 ? -5.663 10.914 -0.247 1.00 95.03 57 A 1 ATOM 468 O O . GLU A 1 57 ? -4.737 11.299 0.474 1.00 95.07 57 A 1 ATOM 469 C CB . GLU A 1 57 ? -5.660 10.414 -2.725 1.00 93.75 57 A 1 ATOM 470 C CG . GLU A 1 57 ? -4.607 11.479 -3.060 1.00 88.47 57 A 1 ATOM 471 C CD . GLU A 1 57 ? -4.905 12.265 -4.346 1.00 84.65 57 A 1 ATOM 472 O OE1 . GLU A 1 57 ? -4.025 13.064 -4.736 1.00 76.38 57 A 1 ATOM 473 O OE2 . GLU A 1 57 ? -6.053 12.187 -4.836 1.00 76.59 57 A 1 ATOM 474 N N . ARG A 1 58 ? -6.919 11.359 -0.074 1.00 95.45 58 A 1 ATOM 475 C CA . ARG A 1 58 ? -7.253 12.372 0.933 1.00 96.09 58 A 1 ATOM 476 C C . ARG A 1 58 ? -6.909 11.905 2.346 1.00 97.07 58 A 1 ATOM 477 O O . ARG A 1 58 ? -6.353 12.680 3.126 1.00 96.55 58 A 1 ATOM 478 C CB . ARG A 1 58 ? -8.736 12.738 0.800 1.00 95.06 58 A 1 ATOM 479 C CG . ARG A 1 58 ? -9.147 13.769 1.856 1.00 86.56 58 A 1 ATOM 480 C CD . ARG A 1 58 ? -10.637 14.066 1.757 1.00 83.03 58 A 1 ATOM 481 N NE . ARG A 1 58 ? -11.077 14.877 2.907 1.00 72.97 58 A 1 ATOM 482 C CZ . ARG A 1 58 ? -12.326 15.093 3.274 1.00 65.71 58 A 1 ATOM 483 N NH1 . ARG A 1 58 ? -13.333 14.635 2.581 1.00 60.35 58 A 1 ATOM 484 N NH2 . ARG A 1 58 ? -12.578 15.767 4.356 1.00 55.36 58 A 1 ATOM 485 N N . CYS A 1 59 ? -7.258 10.667 2.694 1.00 95.91 59 A 1 ATOM 486 C CA . CYS A 1 59 ? -6.942 10.100 4.003 1.00 96.31 59 A 1 ATOM 487 C C . CYS A 1 59 ? -5.429 9.964 4.201 1.00 96.96 59 A 1 ATOM 488 O O . CYS A 1 59 ? -4.955 10.255 5.290 1.00 96.87 59 A 1 ATOM 489 C CB . CYS A 1 59 ? -7.655 8.754 4.182 1.00 95.93 59 A 1 ATOM 490 S SG . CYS A 1 59 ? -9.440 9.009 4.413 1.00 93.56 59 A 1 ATOM 491 N N . SER A 1 60 ? -4.671 9.603 3.157 1.00 97.10 60 A 1 ATOM 492 C CA . SER A 1 60 ? -3.202 9.557 3.186 1.00 96.75 60 A 1 ATOM 493 C C . SER A 1 60 ? -2.605 10.911 3.575 1.00 96.94 60 A 1 ATOM 494 O O . SER A 1 60 ? -1.848 10.996 4.542 1.00 96.59 60 A 1 ATOM 495 C CB . SER A 1 60 ? -2.676 9.117 1.816 1.00 95.73 60 A 1 ATOM 496 O OG . SER A 1 60 ? -1.265 9.068 1.802 1.00 90.01 60 A 1 ATOM 497 N N . HIS A 1 61 ? -3.023 11.989 2.899 1.00 96.68 61 A 1 ATOM 498 C CA . HIS A 1 61 ? -2.550 13.343 3.210 1.00 96.42 61 A 1 ATOM 499 C C . HIS A 1 61 ? -2.897 13.799 4.634 1.00 96.99 61 A 1 ATOM 500 O O . HIS A 1 61 ? -2.077 14.428 5.292 1.00 96.53 61 A 1 ATOM 501 C CB . HIS A 1 61 ? -3.144 14.329 2.199 1.00 95.63 61 A 1 ATOM 502 C CG . HIS A 1 61 ? -2.500 14.249 0.843 1.00 90.78 61 A 1 ATOM 503 N ND1 . HIS A 1 61 ? -1.160 14.434 0.584 1.00 78.54 61 A 1 ATOM 504 C CD2 . HIS A 1 61 ? -3.118 14.021 -0.352 1.00 77.66 61 A 1 ATOM 505 C CE1 . HIS A 1 61 ? -0.973 14.315 -0.736 1.00 78.78 61 A 1 ATOM 506 N NE2 . HIS A 1 61 ? -2.141 14.076 -1.350 1.00 80.70 61 A 1 ATOM 507 N N . VAL A 1 62 ? -4.100 13.489 5.111 1.00 96.39 62 A 1 ATOM 508 C CA . VAL A 1 62 ? -4.518 13.868 6.477 1.00 96.60 62 A 1 ATOM 509 C C . VAL A 1 62 ? -3.818 13.011 7.538 1.00 97.13 62 A 1 ATOM 510 O O . VAL A 1 62 ? -3.532 13.504 8.628 1.00 96.81 62 A 1 ATOM 511 C CB . VAL A 1 62 ? -6.051 13.797 6.609 1.00 96.57 62 A 1 ATOM 512 C CG1 . VAL A 1 62 ? -6.540 14.123 8.027 1.00 94.79 62 A 1 ATOM 513 C CG2 . VAL A 1 62 ? -6.735 14.813 5.678 1.00 94.43 62 A 1 ATOM 514 N N . ALA A 1 63 ? -3.537 11.745 7.228 1.00 97.29 63 A 1 ATOM 515 C CA . ALA A 1 63 ? -2.838 10.830 8.123 1.00 97.25 63 A 1 ATOM 516 C C . ALA A 1 63 ? -1.351 11.166 8.281 1.00 97.33 63 A 1 ATOM 517 O O . ALA A 1 63 ? -0.770 10.795 9.300 1.00 96.84 63 A 1 ATOM 518 C CB . ALA A 1 63 ? -3.027 9.394 7.611 1.00 97.18 63 A 1 ATOM 519 N N . ASP A 1 64 ? -0.740 11.868 7.324 1.00 97.40 64 A 1 ATOM 520 C CA . ASP A 1 64 ? 0.671 12.253 7.380 1.00 97.10 64 A 1 ATOM 521 C C . ASP A 1 64 ? 0.906 13.415 8.361 1.00 96.75 64 A 1 ATOM 522 O O . ASP A 1 64 ? 1.003 14.584 7.994 1.00 95.67 64 A 1 ATOM 523 C CB . ASP A 1 64 ? 1.206 12.546 5.971 1.00 96.23 64 A 1 ATOM 524 C CG . ASP A 1 64 ? 2.721 12.797 5.974 1.00 95.16 64 A 1 ATOM 525 O OD1 . ASP A 1 64 ? 3.371 12.515 7.013 1.00 92.83 64 A 1 ATOM 526 O OD2 . ASP A 1 64 ? 3.256 13.241 4.936 1.00 91.72 64 A 1 ATOM 527 N N . THR A 1 65 ? 0.986 13.081 9.648 1.00 96.35 65 A 1 ATOM 528 C CA . THR A 1 65 ? 1.354 14.033 10.709 1.00 95.44 65 A 1 ATOM 529 C C . THR A 1 65 ? 2.827 13.957 11.100 1.00 94.46 65 A 1 ATOM 530 O O . THR A 1 65 ? 3.309 14.801 11.856 1.00 90.87 65 A 1 ATOM 531 C CB . THR A 1 65 ? 0.475 13.876 11.955 1.00 95.18 65 A 1 ATOM 532 O OG1 . THR A 1 65 ? 0.601 12.628 12.585 1.00 93.24 65 A 1 ATOM 533 C CG2 . THR A 1 65 ? -1.008 14.056 11.623 1.00 90.72 65 A 1 ATOM 534 N N . GLU A 1 66 ? 3.545 12.955 10.605 1.00 93.49 66 A 1 ATOM 535 C CA . GLU A 1 66 ? 4.952 12.693 10.888 1.00 91.42 66 A 1 ATOM 536 C C . GLU A 1 66 ? 5.889 13.244 9.802 1.00 91.45 66 A 1 ATOM 537 O O . GLU A 1 66 ? 7.089 13.370 10.055 1.00 87.91 66 A 1 ATOM 538 C CB . GLU A 1 66 ? 5.173 11.184 11.072 1.00 89.93 66 A 1 ATOM 539 C CG . GLU A 1 66 ? 4.530 10.587 12.341 1.00 86.15 66 A 1 ATOM 540 C CD . GLU A 1 66 ? 3.008 10.360 12.280 1.00 85.74 66 A 1 ATOM 541 O OE1 . GLU A 1 66 ? 2.409 10.101 13.347 1.00 80.23 66 A 1 ATOM 542 O OE2 . GLU A 1 66 ? 2.369 10.439 11.208 1.00 82.10 66 A 1 ATOM 543 N N . GLY A 1 67 ? 5.364 13.611 8.622 1.00 94.23 67 A 1 ATOM 544 C CA . GLY A 1 67 ? 6.162 14.009 7.460 1.00 93.76 67 A 1 ATOM 545 C C . GLY A 1 67 ? 6.828 12.798 6.811 1.00 93.65 67 A 1 ATOM 546 O O . GLY A 1 67 ? 8.059 12.750 6.689 1.00 91.20 67 A 1 ATOM 547 N N . ILE A 1 68 ? 6.028 11.791 6.457 1.00 94.43 68 A 1 ATOM 548 C CA . ILE A 1 68 ? 6.530 10.528 5.917 1.00 93.63 68 A 1 ATOM 549 C C . ILE A 1 68 ? 7.246 10.727 4.574 1.00 93.03 68 A 1 ATOM 550 O O . ILE A 1 68 ? 6.918 11.590 3.763 1.00 91.92 68 A 1 ATOM 551 C CB . ILE A 1 68 ? 5.434 9.444 5.821 1.00 92.07 68 A 1 ATOM 552 C CG1 . ILE A 1 68 ? 4.319 9.801 4.821 1.00 85.95 68 A 1 ATOM 553 C CG2 . ILE A 1 68 ? 4.862 9.130 7.215 1.00 84.66 68 A 1 ATOM 554 C CD1 . ILE A 1 68 ? 3.589 8.555 4.331 1.00 80.74 68 A 1 ATOM 555 N N . THR A 1 69 ? 8.235 9.881 4.309 1.00 92.63 69 A 1 ATOM 556 C CA . THR A 1 69 ? 8.900 9.852 3.000 1.00 92.14 69 A 1 ATOM 557 C C . THR A 1 69 ? 8.125 8.974 2.015 1.00 92.29 69 A 1 ATOM 558 O O . THR A 1 69 ? 7.377 8.082 2.414 1.00 92.17 69 A 1 ATOM 559 C CB . THR A 1 69 ? 10.355 9.373 3.116 1.00 91.51 69 A 1 ATOM 560 O OG1 . THR A 1 69 ? 10.407 8.014 3.487 1.00 89.96 69 A 1 ATOM 561 C CG2 . THR A 1 69 ? 11.166 10.166 4.143 1.00 88.68 69 A 1 ATOM 562 N N . GLY A 1 70 ? 8.375 9.138 0.708 1.00 91.27 70 A 1 ATOM 563 C CA . GLY A 1 70 ? 7.814 8.232 -0.312 1.00 90.85 70 A 1 ATOM 564 C C . GLY A 1 70 ? 8.169 6.753 -0.084 1.00 91.85 70 A 1 ATOM 565 O O . GLY A 1 70 ? 7.370 5.870 -0.379 1.00 91.36 70 A 1 ATOM 566 N N . PHE A 1 71 ? 9.331 6.479 0.523 1.00 90.77 71 A 1 ATOM 567 C CA . PHE A 1 71 ? 9.694 5.118 0.931 1.00 91.80 71 A 1 ATOM 568 C C . PHE A 1 71 ? 8.781 4.591 2.048 1.00 93.01 71 A 1 ATOM 569 O O . PHE A 1 71 ? 8.267 3.480 1.942 1.00 93.18 71 A 1 ATOM 570 C CB . PHE A 1 71 ? 11.169 5.079 1.351 1.00 91.17 71 A 1 ATOM 571 C CG . PHE A 1 71 ? 11.617 3.712 1.834 1.00 89.80 71 A 1 ATOM 572 C CD1 . PHE A 1 71 ? 11.688 3.433 3.213 1.00 87.58 71 A 1 ATOM 573 C CD2 . PHE A 1 71 ? 11.917 2.701 0.902 1.00 87.19 71 A 1 ATOM 574 C CE1 . PHE A 1 71 ? 12.061 2.152 3.658 1.00 85.01 71 A 1 ATOM 575 C CE2 . PHE A 1 71 ? 12.290 1.419 1.345 1.00 84.56 71 A 1 ATOM 576 C CZ . PHE A 1 71 ? 12.361 1.145 2.722 1.00 84.55 71 A 1 ATOM 577 N N . MET A 1 72 ? 8.531 5.391 3.094 1.00 93.10 72 A 1 ATOM 578 C CA . MET A 1 72 ? 7.618 5.022 4.186 1.00 94.09 72 A 1 ATOM 579 C C . MET A 1 72 ? 6.193 4.799 3.675 1.00 94.68 72 A 1 ATOM 580 O O . MET A 1 72 ? 5.553 3.831 4.081 1.00 94.91 72 A 1 ATOM 581 C CB . MET A 1 72 ? 7.608 6.109 5.265 1.00 94.32 72 A 1 ATOM 582 C CG . MET A 1 72 ? 8.929 6.205 6.024 1.00 93.32 72 A 1 ATOM 583 S SD . MET A 1 72 ? 9.150 7.770 6.902 1.00 92.33 72 A 1 ATOM 584 C CE . MET A 1 72 ? 8.105 7.485 8.345 1.00 87.17 72 A 1 ATOM 585 N N . TYR A 1 73 ? 5.713 5.639 2.742 1.00 94.20 73 A 1 ATOM 586 C CA . TYR A 1 73 ? 4.429 5.448 2.071 1.00 94.90 73 A 1 ATOM 587 C C . TYR A 1 73 ? 4.363 4.090 1.354 1.00 95.48 73 A 1 ATOM 588 O O . TYR A 1 73 ? 3.445 3.307 1.592 1.00 95.58 73 A 1 ATOM 589 C CB . TYR A 1 73 ? 4.187 6.611 1.102 1.00 94.90 73 A 1 ATOM 590 C CG . TYR A 1 73 ? 2.962 6.415 0.231 1.00 95.18 73 A 1 ATOM 591 C CD1 . TYR A 1 73 ? 3.094 5.878 -1.066 1.00 94.47 73 A 1 ATOM 592 C CD2 . TYR A 1 73 ? 1.684 6.726 0.734 1.00 94.56 73 A 1 ATOM 593 C CE1 . TYR A 1 73 ? 1.950 5.655 -1.858 1.00 94.18 73 A 1 ATOM 594 C CE2 . TYR A 1 73 ? 0.538 6.505 -0.057 1.00 94.20 73 A 1 ATOM 595 C CZ . TYR A 1 73 ? 0.670 5.967 -1.352 1.00 94.57 73 A 1 ATOM 596 O OH . TYR A 1 73 ? -0.437 5.740 -2.113 1.00 93.86 73 A 1 ATOM 597 N N . GLY A 1 74 ? 5.373 3.756 0.545 1.00 94.21 74 A 1 ATOM 598 C CA . GLY A 1 74 ? 5.445 2.452 -0.126 1.00 94.01 74 A 1 ATOM 599 C C . GLY A 1 74 ? 5.468 1.269 0.852 1.00 95.04 74 A 1 ATOM 600 O O . GLY A 1 74 ? 4.770 0.274 0.647 1.00 95.19 74 A 1 ATOM 601 N N . CYS A 1 75 ? 6.211 1.394 1.962 1.00 94.46 75 A 1 ATOM 602 C CA . CYS A 1 75 ? 6.203 0.399 3.038 1.00 95.01 75 A 1 ATOM 603 C C . CYS A 1 75 ? 4.819 0.263 3.697 1.00 96.14 75 A 1 ATOM 604 O O . CYS A 1 75 ? 4.388 -0.858 3.963 1.00 96.38 75 A 1 ATOM 605 C CB . CYS A 1 75 ? 7.259 0.768 4.092 1.00 94.52 75 A 1 ATOM 606 S SG . CYS A 1 75 ? 8.930 0.521 3.424 1.00 92.44 75 A 1 ATOM 607 N N . ALA A 1 76 ? 4.113 1.377 3.923 1.00 95.80 76 A 1 ATOM 608 C CA . ALA A 1 76 ? 2.770 1.373 4.495 1.00 96.71 76 A 1 ATOM 609 C C . ALA A 1 76 ? 1.764 0.652 3.583 1.00 97.27 76 A 1 ATOM 610 O O . ALA A 1 76 ? 1.052 -0.233 4.051 1.00 97.47 76 A 1 ATOM 611 C CB . ALA A 1 76 ? 2.344 2.818 4.789 1.00 96.93 76 A 1 ATOM 612 N N . VAL A 1 77 ? 1.761 0.947 2.272 1.00 96.60 77 A 1 ATOM 613 C CA . VAL A 1 77 ? 0.930 0.222 1.289 1.00 96.81 77 A 1 ATOM 614 C C . VAL A 1 77 ? 1.257 -1.272 1.301 1.00 97.15 77 A 1 ATOM 615 O O . VAL A 1 77 ? 0.359 -2.112 1.380 1.00 97.12 77 A 1 ATOM 616 C CB . VAL A 1 77 ? 1.110 0.794 -0.131 1.00 96.50 77 A 1 ATOM 617 C CG1 . VAL A 1 77 ? 0.312 -0.006 -1.175 1.00 95.37 77 A 1 ATOM 618 C CG2 . VAL A 1 77 ? 0.634 2.244 -0.221 1.00 95.07 77 A 1 ATOM 619 N N . GLY A 1 78 ? 2.552 -1.609 1.273 1.00 96.60 78 A 1 ATOM 620 C CA . GLY A 1 78 ? 3.030 -2.991 1.305 1.00 96.53 78 A 1 ATOM 621 C C . GLY A 1 78 ? 2.562 -3.760 2.537 1.00 97.22 78 A 1 ATOM 622 O O . GLY A 1 78 ? 2.019 -4.861 2.414 1.00 97.11 78 A 1 ATOM 623 N N . LEU A 1 79 ? 2.712 -3.164 3.713 1.00 96.94 79 A 1 ATOM 624 C CA . LEU A 1 79 ? 2.287 -3.765 4.973 1.00 97.55 79 A 1 ATOM 625 C C . LEU A 1 79 ? 0.760 -3.887 5.057 1.00 97.93 79 A 1 ATOM 626 O O . LEU A 1 79 ? 0.246 -4.977 5.317 1.00 97.95 79 A 1 ATOM 627 C CB . LEU A 1 79 ? 2.872 -2.939 6.129 1.00 97.68 79 A 1 ATOM 628 C CG . LEU A 1 79 ? 2.472 -3.455 7.520 1.00 96.82 79 A 1 ATOM 629 C CD1 . LEU A 1 79 ? 2.962 -4.882 7.772 1.00 95.57 79 A 1 ATOM 630 C CD2 . LEU A 1 79 ? 3.075 -2.534 8.577 1.00 95.75 79 A 1 ATOM 631 N N . LEU A 1 80 ? 0.026 -2.802 4.782 1.00 97.81 80 A 1 ATOM 632 C CA . LEU A 1 80 ? -1.437 -2.806 4.826 1.00 98.02 80 A 1 ATOM 633 C C . LEU A 1 80 ? -2.032 -3.825 3.850 1.00 97.99 80 A 1 ATOM 634 O O . LEU A 1 80 ? -2.970 -4.528 4.209 1.00 97.91 80 A 1 ATOM 635 C CB . LEU A 1 80 ? -1.984 -1.395 4.551 1.00 98.19 80 A 1 ATOM 636 C CG . LEU A 1 80 ? -1.768 -0.385 5.694 1.00 97.76 80 A 1 ATOM 637 C CD1 . LEU A 1 80 ? -2.303 0.983 5.265 1.00 97.30 80 A 1 ATOM 638 C CD2 . LEU A 1 80 ? -2.484 -0.796 6.982 1.00 97.29 80 A 1 ATOM 639 N N . SER A 1 81 ? -1.444 -4.004 2.662 1.00 97.72 81 A 1 ATOM 640 C CA . SER A 1 81 ? -1.898 -5.024 1.703 1.00 97.31 81 A 1 ATOM 641 C C . SER A 1 81 ? -1.889 -6.448 2.283 1.00 97.34 81 A 1 ATOM 642 O O . SER A 1 81 ? -2.720 -7.282 1.909 1.00 96.77 81 A 1 ATOM 643 C CB . SER A 1 81 ? -1.054 -4.962 0.426 1.00 96.54 81 A 1 ATOM 644 O OG . SER A 1 81 ? 0.200 -5.596 0.584 1.00 88.95 81 A 1 ATOM 645 N N . GLN A 1 82 ? -0.982 -6.717 3.224 1.00 97.56 82 A 1 ATOM 646 C CA . GLN A 1 82 ? -0.820 -8.019 3.870 1.00 97.54 82 A 1 ATOM 647 C C . GLN A 1 82 ? -1.687 -8.154 5.120 1.00 97.95 82 A 1 ATOM 648 O O . GLN A 1 82 ? -2.360 -9.170 5.278 1.00 97.66 82 A 1 ATOM 649 C CB . GLN A 1 82 ? 0.662 -8.239 4.195 1.00 97.19 82 A 1 ATOM 650 C CG . GLN A 1 82 ? 1.499 -8.379 2.920 1.00 94.76 82 A 1 ATOM 651 C CD . GLN A 1 82 ? 2.989 -8.431 3.224 1.00 90.55 82 A 1 ATOM 652 O OE1 . GLN A 1 82 ? 3.471 -9.235 4.006 1.00 81.73 82 A 1 ATOM 653 N NE2 . GLN A 1 82 ? 3.783 -7.586 2.609 1.00 77.82 82 A 1 ATOM 654 N N . VAL A 1 83 ? -1.707 -7.133 5.983 1.00 97.89 83 A 1 ATOM 655 C CA . VAL A 1 83 ? -2.267 -7.279 7.342 1.00 98.25 83 A 1 ATOM 656 C C . VAL A 1 83 ? -3.663 -6.688 7.521 1.00 98.33 83 A 1 ATOM 657 O O . VAL A 1 83 ? -4.398 -7.129 8.402 1.00 98.20 83 A 1 ATOM 658 C CB . VAL A 1 83 ? -1.308 -6.724 8.409 1.00 98.40 83 A 1 ATOM 659 C CG1 . VAL A 1 83 ? 0.093 -7.344 8.273 1.00 97.69 83 A 1 ATOM 660 C CG2 . VAL A 1 83 ? -1.181 -5.196 8.400 1.00 97.25 83 A 1 ATOM 661 N N . TRP A 1 84 ? -4.054 -5.703 6.721 1.00 97.99 84 A 1 ATOM 662 C CA . TRP A 1 84 ? -5.344 -5.028 6.842 1.00 97.86 84 A 1 ATOM 663 C C . TRP A 1 84 ? -6.442 -5.779 6.084 1.00 97.62 84 A 1 ATOM 664 O O . TRP A 1 84 ? -6.205 -6.321 4.997 1.00 97.20 84 A 1 ATOM 665 C CB . TRP A 1 84 ? -5.195 -3.579 6.365 1.00 97.80 84 A 1 ATOM 666 C CG . TRP A 1 84 ? -6.392 -2.696 6.508 1.00 97.79 84 A 1 ATOM 667 C CD1 . TRP A 1 84 ? -7.207 -2.635 7.585 1.00 97.02 84 A 1 ATOM 668 C CD2 . TRP A 1 84 ? -6.920 -1.729 5.554 1.00 97.71 84 A 1 ATOM 669 N NE1 . TRP A 1 84 ? -8.198 -1.694 7.365 1.00 96.87 84 A 1 ATOM 670 C CE2 . TRP A 1 84 ? -8.063 -1.097 6.132 1.00 97.38 84 A 1 ATOM 671 C CE3 . TRP A 1 84 ? -6.543 -1.306 4.263 1.00 97.10 84 A 1 ATOM 672 C CZ2 . TRP A 1 84 ? -8.790 -0.092 5.475 1.00 96.87 84 A 1 ATOM 673 C CZ3 . TRP A 1 84 ? -7.265 -0.304 3.596 1.00 96.56 84 A 1 ATOM 674 C CH2 . TRP A 1 84 ? -8.384 0.307 4.196 1.00 96.49 84 A 1 ATOM 675 N N . GLU A 1 85 ? -7.666 -5.806 6.633 1.00 97.32 85 A 1 ATOM 676 C CA . GLU A 1 85 ? -8.830 -6.478 6.035 1.00 96.75 85 A 1 ATOM 677 C C . GLU A 1 85 ? -9.115 -5.979 4.606 1.00 96.86 85 A 1 ATOM 678 O O . GLU A 1 85 ? -9.335 -6.787 3.704 1.00 95.85 85 A 1 ATOM 679 C CB . GLU A 1 85 ? -10.032 -6.255 6.959 1.00 95.29 85 A 1 ATOM 680 C CG . GLU A 1 85 ? -11.274 -7.030 6.504 1.00 84.74 85 A 1 ATOM 681 C CD . GLU A 1 85 ? -12.473 -6.861 7.465 1.00 84.08 85 A 1 ATOM 682 O OE1 . GLU A 1 85 ? -13.487 -7.548 7.232 1.00 75.49 85 A 1 ATOM 683 O OE2 . GLU A 1 85 ? -12.382 -6.040 8.402 1.00 77.18 85 A 1 ATOM 684 N N . HIS A 1 86 ? -8.997 -4.676 4.366 1.00 96.48 86 A 1 ATOM 685 C CA . HIS A 1 86 ? -9.204 -4.041 3.054 1.00 96.62 86 A 1 ATOM 686 C C . HIS A 1 86 ? -7.905 -3.813 2.264 1.00 96.98 86 A 1 ATOM 687 O O . HIS A 1 86 ? -7.867 -3.049 1.299 1.00 96.72 86 A 1 ATOM 688 C CB . HIS A 1 86 ? -10.012 -2.754 3.252 1.00 96.64 86 A 1 ATOM 689 C CG . HIS A 1 86 ? -11.270 -2.969 4.062 1.00 96.43 86 A 1 ATOM 690 N ND1 . HIS A 1 86 ? -12.153 -4.029 3.940 1.00 89.32 86 A 1 ATOM 691 C CD2 . HIS A 1 86 ? -11.709 -2.194 5.098 1.00 90.10 86 A 1 ATOM 692 C CE1 . HIS A 1 86 ? -13.087 -3.890 4.892 1.00 90.49 86 A 1 ATOM 693 N NE2 . HIS A 1 86 ? -12.861 -2.786 5.613 1.00 91.64 86 A 1 ATOM 694 N N . GLY A 1 87 ? -6.819 -4.471 2.676 1.00 96.75 87 A 1 ATOM 695 C CA . GLY A 1 87 ? -5.492 -4.244 2.111 1.00 96.80 87 A 1 ATOM 696 C C . GLY A 1 87 ? -5.352 -4.605 0.632 1.00 96.97 87 A 1 ATOM 697 O O . GLY A 1 87 ? -4.570 -3.966 -0.068 1.00 96.75 87 A 1 ATOM 698 N N . ASP A 1 88 ? -6.108 -5.580 0.120 1.00 96.29 88 A 1 ATOM 699 C CA . ASP A 1 88 ? -6.081 -5.882 -1.320 1.00 95.99 88 A 1 ATOM 700 C C . ASP A 1 88 ? -6.739 -4.769 -2.151 1.00 96.31 88 A 1 ATOM 701 O O . ASP A 1 88 ? -6.190 -4.367 -3.175 1.00 95.93 88 A 1 ATOM 702 C CB . ASP A 1 88 ? -6.728 -7.242 -1.616 1.00 94.92 88 A 1 ATOM 703 C CG . ASP A 1 88 ? -6.496 -7.600 -3.094 1.00 91.11 88 A 1 ATOM 704 O OD1 . ASP A 1 88 ? -5.305 -7.769 -3.467 1.00 86.69 88 A 1 ATOM 705 O OD2 . ASP A 1 88 ? -7.463 -7.625 -3.876 1.00 84.60 88 A 1 ATOM 706 N N . ALA A 1 89 ? -7.855 -4.218 -1.681 1.00 95.78 89 A 1 ATOM 707 C CA . ALA A 1 89 ? -8.492 -3.077 -2.339 1.00 95.89 89 A 1 ATOM 708 C C . ALA A 1 89 ? -7.568 -1.843 -2.345 1.00 96.31 89 A 1 ATOM 709 O O . ALA A 1 89 ? -7.424 -1.200 -3.382 1.00 96.10 89 A 1 ATOM 710 C CB . ALA A 1 89 ? -9.841 -2.811 -1.658 1.00 95.78 89 A 1 ATOM 711 N N . LEU A 1 90 ? -6.861 -1.577 -1.242 1.00 96.40 90 A 1 ATOM 712 C CA . LEU A 1 90 ? -5.850 -0.511 -1.174 1.00 96.94 90 A 1 ATOM 713 C C . LEU A 1 90 ? -4.693 -0.749 -2.154 1.00 97.00 90 A 1 ATOM 714 O O . LEU A 1 90 ? -4.294 0.166 -2.868 1.00 96.87 90 A 1 ATOM 715 C CB . LEU A 1 90 ? -5.315 -0.410 0.267 1.00 97.28 90 A 1 ATOM 716 C CG . LEU A 1 90 ? -4.243 0.685 0.453 1.00 96.67 90 A 1 ATOM 717 C CD1 . LEU A 1 90 ? -4.821 2.086 0.267 1.00 95.33 90 A 1 ATOM 718 C CD2 . LEU A 1 90 ? -3.639 0.587 1.851 1.00 95.42 90 A 1 ATOM 719 N N . ARG A 1 91 ? -4.158 -1.969 -2.212 1.00 96.75 91 A 1 ATOM 720 C CA . ARG A 1 91 ? -3.092 -2.356 -3.143 1.00 96.59 91 A 1 ATOM 721 C C . ARG A 1 91 ? -3.504 -2.115 -4.591 1.00 96.50 91 A 1 ATOM 722 O O . ARG A 1 91 ? -2.730 -1.565 -5.366 1.00 96.44 91 A 1 ATOM 723 C CB . ARG A 1 91 ? -2.753 -3.839 -2.909 1.00 96.10 91 A 1 ATOM 724 C CG . ARG A 1 91 ? -1.626 -4.356 -3.811 1.00 94.12 91 A 1 ATOM 725 C CD . ARG A 1 91 ? -1.514 -5.886 -3.745 1.00 93.52 91 A 1 ATOM 726 N NE . ARG A 1 91 ? -2.695 -6.562 -4.328 1.00 90.60 91 A 1 ATOM 727 C CZ . ARG A 1 91 ? -2.978 -6.733 -5.610 1.00 91.37 91 A 1 ATOM 728 N NH1 . ARG A 1 91 ? -2.191 -6.333 -6.565 1.00 82.07 91 A 1 ATOM 729 N NH2 . ARG A 1 91 ? -4.082 -7.325 -5.952 1.00 84.06 91 A 1 ATOM 730 N N . ARG A 1 92 ? -4.718 -2.536 -4.941 1.00 96.14 92 A 1 ATOM 731 C CA . ARG A 1 92 ? -5.253 -2.390 -6.303 1.00 95.90 92 A 1 ATOM 732 C C . ARG A 1 92 ? -5.451 -0.931 -6.679 1.00 95.96 92 A 1 ATOM 733 O O . ARG A 1 92 ? -5.059 -0.556 -7.781 1.00 95.61 92 A 1 ATOM 734 C CB . ARG A 1 92 ? -6.557 -3.174 -6.444 1.00 95.85 92 A 1 ATOM 735 C CG . ARG A 1 92 ? -6.303 -4.689 -6.405 1.00 93.43 92 A 1 ATOM 736 C CD . ARG A 1 92 ? -7.607 -5.472 -6.573 1.00 90.16 92 A 1 ATOM 737 N NE . ARG A 1 92 ? -8.103 -5.363 -7.961 1.00 81.95 92 A 1 ATOM 738 C CZ . ARG A 1 92 ? -9.215 -5.894 -8.427 1.00 75.30 92 A 1 ATOM 739 N NH1 . ARG A 1 92 ? -10.024 -6.579 -7.664 1.00 68.13 92 A 1 ATOM 740 N NH2 . ARG A 1 92 ? -9.526 -5.747 -9.687 1.00 66.11 92 A 1 ATOM 741 N N . TRP A 1 93 ? -6.009 -0.133 -5.771 1.00 95.56 93 A 1 ATOM 742 C CA . TRP A 1 93 ? -6.126 1.315 -5.955 1.00 95.80 93 A 1 ATOM 743 C C . TRP A 1 93 ? -4.750 1.961 -6.153 1.00 95.91 93 A 1 ATOM 744 O O . TRP A 1 93 ? -4.544 2.613 -7.162 1.00 95.61 93 A 1 ATOM 745 C CB . TRP A 1 93 ? -6.861 1.942 -4.765 1.00 96.11 93 A 1 ATOM 746 C CG . TRP A 1 93 ? -6.733 3.432 -4.721 1.00 95.94 93 A 1 ATOM 747 C CD1 . TRP A 1 93 ? -7.414 4.300 -5.501 1.00 94.71 93 A 1 ATOM 748 C CD2 . TRP A 1 93 ? -5.781 4.237 -3.957 1.00 95.96 93 A 1 ATOM 749 N NE1 . TRP A 1 93 ? -6.951 5.583 -5.278 1.00 94.64 93 A 1 ATOM 750 C CE2 . TRP A 1 93 ? -5.935 5.599 -4.346 1.00 95.56 93 A 1 ATOM 751 C CE3 . TRP A 1 93 ? -4.784 3.945 -3.001 1.00 94.83 93 A 1 ATOM 752 C CZ2 . TRP A 1 93 ? -5.129 6.627 -3.825 1.00 94.39 93 A 1 ATOM 753 C CZ3 . TRP A 1 93 ? -3.979 4.969 -2.467 1.00 94.17 93 A 1 ATOM 754 C CH2 . TRP A 1 93 ? -4.144 6.305 -2.879 1.00 93.68 93 A 1 ATOM 755 N N . HIS A 1 94 ? -3.797 1.711 -5.254 1.00 96.13 94 A 1 ATOM 756 C CA . HIS A 1 94 ? -2.443 2.270 -5.323 1.00 95.73 94 A 1 ATOM 757 C C . HIS A 1 94 ? -1.761 1.978 -6.667 1.00 95.58 94 A 1 ATOM 758 O O . HIS A 1 94 ? -1.168 2.862 -7.273 1.00 94.88 94 A 1 ATOM 759 C CB . HIS A 1 94 ? -1.611 1.696 -4.173 1.00 95.45 94 A 1 ATOM 760 C CG . HIS A 1 94 ? -0.142 2.007 -4.300 1.00 95.03 94 A 1 ATOM 761 N ND1 . HIS A 1 94 ? 0.466 3.209 -4.020 1.00 87.15 94 A 1 ATOM 762 C CD2 . HIS A 1 94 ? 0.824 1.162 -4.783 1.00 88.49 94 A 1 ATOM 763 C CE1 . HIS A 1 94 ? 1.770 3.089 -4.325 1.00 89.12 94 A 1 ATOM 764 N NE2 . HIS A 1 94 ? 2.031 1.855 -4.791 1.00 90.19 94 A 1 ATOM 765 N N . ASN A 1 95 ? -1.864 0.734 -7.141 1.00 96.01 95 A 1 ATOM 766 C CA . ASN A 1 95 ? -1.261 0.360 -8.416 1.00 95.50 95 A 1 ATOM 767 C C . ASN A 1 95 ? -1.853 1.147 -9.598 1.00 94.95 95 A 1 ATOM 768 O O . ASN A 1 95 ? -1.113 1.521 -10.494 1.00 94.01 95 A 1 ATOM 769 C CB . ASN A 1 95 ? -1.447 -1.148 -8.635 1.00 95.36 95 A 1 ATOM 770 C CG . ASN A 1 95 ? -0.544 -2.020 -7.793 1.00 95.09 95 A 1 ATOM 771 O OD1 . ASN A 1 95 ? 0.431 -1.614 -7.183 1.00 91.74 95 A 1 ATOM 772 N ND2 . ASN A 1 95 ? -0.821 -3.302 -7.779 1.00 91.61 95 A 1 ATOM 773 N N . LEU A 1 96 ? -3.158 1.392 -9.608 1.00 93.81 96 A 1 ATOM 774 C CA . LEU A 1 96 ? -3.823 2.170 -10.660 1.00 92.92 96 A 1 ATOM 775 C C . LEU A 1 96 ? -3.568 3.677 -10.520 1.00 92.57 96 A 1 ATOM 776 O O . LEU A 1 96 ? -3.479 4.367 -11.525 1.00 91.30 96 A 1 ATOM 777 C CB . LEU A 1 96 ? -5.331 1.879 -10.639 1.00 92.94 96 A 1 ATOM 778 C CG . LEU A 1 96 ? -5.714 0.427 -10.976 1.00 91.42 96 A 1 ATOM 779 C CD1 . LEU A 1 96 ? -7.226 0.256 -10.829 1.00 88.24 96 A 1 ATOM 780 C CD2 . LEU A 1 96 ? -5.324 0.019 -12.395 1.00 88.63 96 A 1 ATOM 781 N N . ASP A 1 97 ? -3.439 4.162 -9.292 1.00 93.48 97 A 1 ATOM 782 C CA . ASP A 1 97 ? -3.176 5.571 -8.989 1.00 92.63 97 A 1 ATOM 783 C C . ASP A 1 97 ? -1.758 5.993 -9.408 1.00 92.35 97 A 1 ATOM 784 O O . ASP A 1 97 ? -1.558 7.059 -9.987 1.00 90.91 97 A 1 ATOM 785 C CB . ASP A 1 97 ? -3.403 5.762 -7.485 1.00 92.11 97 A 1 ATOM 786 C CG . ASP A 1 97 ? -3.263 7.220 -7.060 1.00 90.13 97 A 1 ATOM 787 O OD1 . ASP A 1 97 ? -4.151 8.001 -7.473 1.00 85.00 97 A 1 ATOM 788 O OD2 . ASP A 1 97 ? -2.305 7.496 -6.310 1.00 84.23 97 A 1 ATOM 789 N N . CYS A 1 98 ? -0.761 5.120 -9.187 1.00 93.30 98 A 1 ATOM 790 C CA . CYS A 1 98 ? 0.630 5.442 -9.513 1.00 91.75 98 A 1 ATOM 791 C C . CYS A 1 98 ? 1.099 4.980 -10.904 1.00 91.37 98 A 1 ATOM 792 O O . CYS A 1 98 ? 2.245 5.250 -11.264 1.00 87.22 98 A 1 ATOM 793 C CB . CYS A 1 98 ? 1.534 4.937 -8.381 1.00 89.17 98 A 1 ATOM 794 S SG . CYS A 1 98 ? 1.687 3.124 -8.390 1.00 81.85 98 A 1 ATOM 795 N N . GLN A 1 99 ? 0.273 4.288 -11.680 1.00 91.78 99 A 1 ATOM 796 C CA . GLN A 1 99 ? 0.657 3.814 -13.016 1.00 91.51 99 A 1 ATOM 797 C C . GLN A 1 99 ? 0.849 4.977 -14.003 1.00 91.11 99 A 1 ATOM 798 O O . GLN A 1 99 ? 0.166 6.000 -13.940 1.00 90.12 99 A 1 ATOM 799 C CB . GLN A 1 99 ? -0.341 2.768 -13.539 1.00 90.43 99 A 1 ATOM 800 C CG . GLN A 1 99 ? -1.684 3.354 -14.003 1.00 89.07 99 A 1 ATOM 801 C CD . GLN A 1 99 ? -2.698 2.315 -14.464 1.00 89.47 99 A 1 ATOM 802 O OE1 . GLN A 1 99 ? -2.483 1.111 -14.464 1.00 84.45 99 A 1 ATOM 803 N NE2 . GLN A 1 99 ? -3.862 2.736 -14.896 1.00 83.75 99 A 1 ATOM 804 N N . ILE A 1 100 ? 1.752 4.792 -14.969 1.00 90.13 100 A 1 ATOM 805 C CA . ILE A 1 100 ? 1.945 5.730 -16.087 1.00 89.09 100 A 1 ATOM 806 C C . ILE A 1 100 ? 1.212 5.224 -17.340 1.00 89.03 100 A 1 ATOM 807 O O . ILE A 1 100 ? 0.631 6.011 -18.090 1.00 86.51 100 A 1 ATOM 808 C CB . ILE A 1 100 ? 3.456 5.950 -16.337 1.00 87.63 100 A 1 ATOM 809 C CG1 . ILE A 1 100 ? 4.138 6.532 -15.071 1.00 84.33 100 A 1 ATOM 810 C CG2 . ILE A 1 100 ? 3.682 6.883 -17.547 1.00 82.40 100 A 1 ATOM 811 C CD1 . ILE A 1 100 ? 5.669 6.610 -15.168 1.00 77.33 100 A 1 ATOM 812 N N . GLY A 1 101 ? 1.204 3.905 -17.547 1.00 89.48 101 A 1 ATOM 813 C CA . GLY A 1 101 ? 0.525 3.215 -18.642 1.00 89.91 101 A 1 ATOM 814 C C . GLY A 1 101 ? -0.457 2.167 -18.131 1.00 91.49 101 A 1 ATOM 815 O O . GLY A 1 101 ? -1.497 2.515 -17.575 1.00 89.99 101 A 1 ATOM 816 N N . THR A 1 102 ? -0.138 0.890 -18.319 1.00 90.92 102 A 1 ATOM 817 C CA . THR A 1 102 ? -0.970 -0.254 -17.895 1.00 91.64 102 A 1 ATOM 818 C C . THR A 1 102 ? -0.302 -1.126 -16.826 1.00 92.82 102 A 1 ATOM 819 O O . THR A 1 102 ? -0.801 -2.193 -16.476 1.00 91.79 102 A 1 ATOM 820 C CB . THR A 1 102 ? -1.395 -1.114 -19.099 1.00 90.80 102 A 1 ATOM 821 O OG1 . THR A 1 102 ? -0.265 -1.576 -19.808 1.00 89.73 102 A 1 ATOM 822 C CG2 . THR A 1 102 ? -2.260 -0.325 -20.082 1.00 87.53 102 A 1 ATOM 823 N N . GLU A 1 103 ? 0.826 -0.679 -16.268 1.00 90.89 103 A 1 ATOM 824 C CA . GLU A 1 103 ? 1.636 -1.442 -15.314 1.00 91.29 103 A 1 ATOM 825 C C . GLU A 1 103 ? 0.859 -1.773 -14.033 1.00 93.05 103 A 1 ATOM 826 O O . GLU A 1 103 ? 1.083 -2.814 -13.409 1.00 92.65 103 A 1 ATOM 827 C CB . GLU A 1 103 ? 2.912 -0.661 -14.938 1.00 89.23 103 A 1 ATOM 828 C CG . GLU A 1 103 ? 3.807 -0.215 -16.108 1.00 85.16 103 A 1 ATOM 829 C CD . GLU A 1 103 ? 3.431 1.138 -16.732 1.00 85.48 103 A 1 ATOM 830 O OE1 . GLU A 1 103 ? 4.249 1.673 -17.511 1.00 77.15 103 A 1 ATOM 831 O OE2 . GLU A 1 103 ? 2.328 1.647 -16.455 1.00 78.95 103 A 1 ATOM 832 N N . GLY A 1 104 ? -0.084 -0.917 -13.645 1.00 92.06 104 A 1 ATOM 833 C CA . GLY A 1 104 ? -0.947 -1.129 -12.487 1.00 92.64 104 A 1 ATOM 834 C C . GLY A 1 104 ? -1.946 -2.265 -12.682 1.00 94.24 104 A 1 ATOM 835 O O . GLY A 1 104 ? -2.203 -3.024 -11.739 1.00 94.50 104 A 1 ATOM 836 N N . GLU A 1 105 ? -2.467 -2.435 -13.903 1.00 93.13 105 A 1 ATOM 837 C CA . GLU A 1 105 ? -3.344 -3.560 -14.249 1.00 92.81 105 A 1 ATOM 838 C C . GLU A 1 105 ? -2.576 -4.888 -14.159 1.00 93.72 105 A 1 ATOM 839 O O . GLU A 1 105 ? -2.994 -5.797 -13.438 1.00 93.63 105 A 1 ATOM 840 C CB . GLU A 1 105 ? -3.947 -3.370 -15.649 1.00 92.46 105 A 1 ATOM 841 C CG . GLU A 1 105 ? -4.820 -2.104 -15.763 1.00 88.62 105 A 1 ATOM 842 C CD . GLU A 1 105 ? -5.441 -1.901 -17.157 1.00 84.89 105 A 1 ATOM 843 O OE1 . GLU A 1 105 ? -6.185 -0.905 -17.310 1.00 76.86 105 A 1 ATOM 844 O OE2 . GLU A 1 105 ? -5.192 -2.727 -18.065 1.00 78.35 105 A 1 ATOM 845 N N . GLU A 1 106 ? -1.385 -4.962 -14.763 1.00 92.80 106 A 1 ATOM 846 C CA . GLU A 1 106 ? -0.506 -6.141 -14.701 1.00 92.36 106 A 1 ATOM 847 C C . GLU A 1 106 ? -0.061 -6.468 -13.260 1.00 93.39 106 A 1 ATOM 848 O O . GLU A 1 106 ? -0.006 -7.631 -12.837 1.00 92.90 106 A 1 ATOM 849 C CB . GLU A 1 106 ? 0.752 -5.896 -15.549 1.00 91.70 106 A 1 ATOM 850 C CG . GLU A 1 106 ? 0.488 -5.698 -17.053 1.00 85.57 106 A 1 ATOM 851 C CD . GLU A 1 106 ? 1.785 -5.503 -17.865 1.00 81.19 106 A 1 ATOM 852 O OE1 . GLU A 1 106 ? 1.682 -5.278 -19.092 1.00 72.99 106 A 1 ATOM 853 O OE2 . GLU A 1 106 ? 2.888 -5.625 -17.277 1.00 74.06 106 A 1 ATOM 854 N N . ALA A 1 107 ? 0.247 -5.440 -12.468 1.00 92.32 107 A 1 ATOM 855 C CA . ALA A 1 107 ? 0.581 -5.597 -11.055 1.00 92.22 107 A 1 ATOM 856 C C . ALA A 1 107 ? -0.617 -6.132 -10.255 1.00 93.23 107 A 1 ATOM 857 O O . ALA A 1 107 ? -0.450 -7.013 -9.405 1.00 93.36 107 A 1 ATOM 858 C CB . ALA A 1 107 ? 1.087 -4.260 -10.506 1.00 91.66 107 A 1 ATOM 859 N N . ASN A 1 108 ? -1.830 -5.667 -10.562 1.00 94.63 108 A 1 ATOM 860 C CA . ASN A 1 108 ? -3.055 -6.134 -9.919 1.00 94.56 108 A 1 ATOM 861 C C . ASN A 1 108 ? -3.368 -7.601 -10.229 1.00 94.81 108 A 1 ATOM 862 O O . ASN A 1 108 ? -3.732 -8.342 -9.307 1.00 93.84 108 A 1 ATOM 863 C CB . ASN A 1 108 ? -4.214 -5.193 -10.293 1.00 93.96 108 A 1 ATOM 864 C CG . ASN A 1 108 ? -4.180 -3.915 -9.473 1.00 93.61 108 A 1 ATOM 865 O OD1 . ASN A 1 108 ? -3.564 -3.859 -8.415 1.00 89.49 108 A 1 ATOM 866 N ND2 . ASN A 1 108 ? -4.893 -2.894 -9.877 1.00 89.39 108 A 1 ATOM 867 N N . GLU A 1 109 ? -3.165 -8.039 -11.469 1.00 92.69 109 A 1 ATOM 868 C CA . GLU A 1 109 ? -3.335 -9.439 -11.881 1.00 92.75 109 A 1 ATOM 869 C C . GLU A 1 109 ? -2.318 -10.370 -11.212 1.00 93.16 109 A 1 ATOM 870 O O . GLU A 1 109 ? -2.646 -11.482 -10.802 1.00 91.81 109 A 1 ATOM 871 C CB . GLU A 1 109 ? -3.189 -9.557 -13.400 1.00 92.88 109 A 1 ATOM 872 C CG . GLU A 1 109 ? -4.369 -8.934 -14.158 1.00 85.74 109 A 1 ATOM 873 C CD . GLU A 1 109 ? -4.260 -9.107 -15.681 1.00 78.77 109 A 1 ATOM 874 O OE1 . GLU A 1 109 ? -5.242 -8.733 -16.360 1.00 71.31 109 A 1 ATOM 875 O OE2 . GLU A 1 109 ? -3.247 -9.677 -16.151 1.00 73.25 109 A 1 ATOM 876 N N . SER A 1 110 ? -1.074 -9.905 -11.053 1.00 93.90 110 A 1 ATOM 877 C CA . SER A 1 110 ? 0.016 -10.692 -10.453 1.00 92.99 110 A 1 ATOM 878 C C . SER A 1 110 ? 0.141 -10.557 -8.929 1.00 92.86 110 A 1 ATOM 879 O O . SER A 1 110 ? 1.020 -11.186 -8.332 1.00 90.39 110 A 1 ATOM 880 C CB . SER A 1 110 ? 1.335 -10.393 -11.169 1.00 92.78 110 A 1 ATOM 881 O OG . SER A 1 110 ? 1.693 -9.031 -11.085 1.00 89.27 110 A 1 ATOM 882 N N . GLY A 1 111 ? -0.704 -9.760 -8.278 1.00 94.00 111 A 1 ATOM 883 C CA . GLY A 1 111 ? -0.678 -9.530 -6.829 1.00 93.19 111 A 1 ATOM 884 C C . GLY A 1 111 ? 0.471 -8.634 -6.347 1.00 94.08 111 A 1 ATOM 885 O O . GLY A 1 111 ? 0.708 -8.543 -5.142 1.00 92.30 111 A 1 ATOM 886 N N . LYS A 1 112 ? 1.200 -7.990 -7.264 1.00 92.01 112 A 1 ATOM 887 C CA . LYS A 1 112 ? 2.342 -7.116 -6.952 1.00 92.33 112 A 1 ATOM 888 C C . LYS A 1 112 ? 1.890 -5.714 -6.545 1.00 93.13 112 A 1 ATOM 889 O O . LYS A 1 112 ? 0.734 -5.338 -6.722 1.00 92.95 112 A 1 ATOM 890 C CB . LYS A 1 112 ? 3.300 -7.068 -8.145 1.00 91.74 112 A 1 ATOM 891 C CG . LYS A 1 112 ? 3.975 -8.419 -8.402 1.00 89.40 112 A 1 ATOM 892 C CD . LYS A 1 112 ? 4.837 -8.325 -9.666 1.00 85.61 112 A 1 ATOM 893 C CE . LYS A 1 112 ? 5.431 -9.691 -10.004 1.00 80.63 112 A 1 ATOM 894 N NZ . LYS A 1 112 ? 6.097 -9.652 -11.330 1.00 71.11 112 A 1 ATOM 895 N N . ILE A 1 113 ? 2.831 -4.951 -6.008 1.00 93.73 113 A 1 ATOM 896 C CA . ILE A 1 113 ? 2.673 -3.535 -5.665 1.00 93.92 113 A 1 ATOM 897 C C . ILE A 1 113 ? 3.675 -2.746 -6.504 1.00 93.06 113 A 1 ATOM 898 O O . ILE A 1 113 ? 4.860 -3.094 -6.523 1.00 91.54 113 A 1 ATOM 899 C CB . ILE A 1 113 ? 2.870 -3.308 -4.150 1.00 93.97 113 A 1 ATOM 900 C CG1 . ILE A 1 113 ? 1.823 -4.124 -3.359 1.00 90.86 113 A 1 ATOM 901 C CG2 . ILE A 1 113 ? 2.761 -1.811 -3.795 1.00 90.83 113 A 1 ATOM 902 C CD1 . ILE A 1 113 ? 2.068 -4.146 -1.854 1.00 86.29 113 A 1 ATOM 903 N N . LEU A 1 114 ? 3.207 -1.714 -7.198 1.00 93.06 114 A 1 ATOM 904 C CA . LEU A 1 114 ? 4.077 -0.801 -7.929 1.00 91.78 114 A 1 ATOM 905 C C . LEU A 1 114 ? 4.900 0.046 -6.961 1.00 90.48 114 A 1 ATOM 906 O O . LEU A 1 114 ? 4.435 0.459 -5.902 1.00 88.96 114 A 1 ATOM 907 C CB . LEU A 1 114 ? 3.271 0.090 -8.885 1.00 91.29 114 A 1 ATOM 908 C CG . LEU A 1 114 ? 2.640 -0.631 -10.085 1.00 89.33 114 A 1 ATOM 909 C CD1 . LEU A 1 114 ? 2.022 0.412 -11.015 1.00 86.05 114 A 1 ATOM 910 C CD2 . LEU A 1 114 ? 3.652 -1.437 -10.899 1.00 86.34 114 A 1 ATOM 911 N N . ASN A 1 115 ? 6.140 0.324 -7.355 1.00 88.68 115 A 1 ATOM 912 C CA . ASN A 1 115 ? 6.973 1.301 -6.678 1.00 86.34 115 A 1 ATOM 913 C C . ASN A 1 115 ? 7.094 2.548 -7.569 1.00 85.71 115 A 1 ATOM 914 O O . ASN A 1 115 ? 7.842 2.497 -8.553 1.00 83.82 115 A 1 ATOM 915 C CB . ASN A 1 115 ? 8.329 0.668 -6.338 1.00 83.58 115 A 1 ATOM 916 C CG . ASN A 1 115 ? 9.215 1.619 -5.548 1.00 79.37 115 A 1 ATOM 917 O OD1 . ASN A 1 115 ? 8.941 2.793 -5.373 1.00 75.34 115 A 1 ATOM 918 N ND2 . ASN A 1 115 ? 10.320 1.136 -5.033 1.00 73.33 115 A 1 ATOM 919 N N . PRO A 1 116 ? 6.425 3.669 -7.229 1.00 84.85 116 A 1 ATOM 920 C CA . PRO A 1 116 ? 6.460 4.888 -8.039 1.00 83.33 116 A 1 ATOM 921 C C . PRO A 1 116 ? 7.874 5.436 -8.265 1.00 82.68 116 A 1 ATOM 922 O O . PRO A 1 116 ? 8.136 6.064 -9.280 1.00 78.39 116 A 1 ATOM 923 C CB . PRO A 1 116 ? 5.596 5.906 -7.284 1.00 81.31 116 A 1 ATOM 924 C CG . PRO A 1 116 ? 4.652 5.046 -6.454 1.00 80.66 116 A 1 ATOM 925 C CD . PRO A 1 116 ? 5.497 3.822 -6.119 1.00 83.67 116 A 1 ATOM 926 N N . ALA A 1 117 ? 8.809 5.163 -7.353 1.00 79.38 117 A 1 ATOM 927 C CA . ALA A 1 117 ? 10.198 5.616 -7.466 1.00 77.38 117 A 1 ATOM 928 C C . ALA A 1 117 ? 11.005 4.917 -8.584 1.00 77.18 117 A 1 ATOM 929 O O . ALA A 1 117 ? 12.131 5.333 -8.861 1.00 73.45 117 A 1 ATOM 930 C CB . ALA A 1 117 ? 10.869 5.435 -6.098 1.00 74.07 117 A 1 ATOM 931 N N . ILE A 1 118 ? 10.468 3.852 -9.190 1.00 77.54 118 A 1 ATOM 932 C CA . ILE A 1 118 ? 11.132 3.058 -10.244 1.00 77.91 118 A 1 ATOM 933 C C . ILE A 1 118 ? 10.412 3.205 -11.599 1.00 77.20 118 A 1 ATOM 934 O O . ILE A 1 118 ? 10.888 2.707 -12.614 1.00 73.80 118 A 1 ATOM 935 C CB . ILE A 1 118 ? 11.285 1.582 -9.780 1.00 75.84 118 A 1 ATOM 936 C CG1 . ILE A 1 118 ? 11.989 1.506 -8.397 1.00 71.35 118 A 1 ATOM 937 C CG2 . ILE A 1 118 ? 12.068 0.720 -10.792 1.00 69.08 118 A 1 ATOM 938 C CD1 . ILE A 1 118 ? 12.118 0.085 -7.813 1.00 64.37 118 A 1 ATOM 939 N N . LEU A 1 119 ? 9.259 3.884 -11.643 1.00 75.97 119 A 1 ATOM 940 C CA . LEU A 1 119 ? 8.528 4.104 -12.889 1.00 77.49 119 A 1 ATOM 941 C C . LEU A 1 119 ? 9.240 5.182 -13.722 1.00 76.09 119 A 1 ATOM 942 O O . LEU A 1 119 ? 9.336 6.337 -13.315 1.00 72.77 119 A 1 ATOM 943 C CB . LEU A 1 119 ? 7.057 4.452 -12.595 1.00 76.28 119 A 1 ATOM 944 C CG . LEU A 1 119 ? 6.256 3.338 -11.888 1.00 73.07 119 A 1 ATOM 945 C CD1 . LEU A 1 119 ? 4.844 3.825 -11.574 1.00 68.19 119 A 1 ATOM 946 C CD2 . LEU A 1 119 ? 6.137 2.063 -12.731 1.00 69.94 119 A 1 ATOM 947 N N . ASP A 1 120 ? 9.734 4.791 -14.899 1.00 69.45 120 A 1 ATOM 948 C CA . ASP A 1 120 ? 10.365 5.700 -15.860 1.00 71.63 120 A 1 ATOM 949 C C . ASP A 1 120 ? 9.344 6.183 -16.905 1.00 68.42 120 A 1 ATOM 950 O O . ASP A 1 120 ? 8.684 5.377 -17.570 1.00 64.34 120 A 1 ATOM 951 C CB . ASP A 1 120 ? 11.555 5.013 -16.560 1.00 68.72 120 A 1 ATOM 952 C CG . ASP A 1 120 ? 12.850 4.963 -15.738 1.00 59.55 120 A 1 ATOM 953 O OD1 . ASP A 1 120 ? 13.181 5.976 -15.087 1.00 55.67 120 A 1 ATOM 954 O OD2 . ASP A 1 120 ? 13.570 3.944 -15.875 1.00 54.12 120 A 1 ATOM 955 N N . ILE A 1 121 ? 9.269 7.499 -17.108 1.00 66.24 121 A 1 ATOM 956 C CA . ILE A 1 121 ? 8.540 8.103 -18.235 1.00 68.10 121 A 1 ATOM 957 C C . ILE A 1 121 ? 9.445 8.001 -19.473 1.00 64.68 121 A 1 ATOM 958 O O . ILE A 1 121 ? 10.519 8.609 -19.498 1.00 59.88 121 A 1 ATOM 959 C CB . ILE A 1 121 ? 8.128 9.565 -17.920 1.00 65.63 121 A 1 ATOM 960 C CG1 . ILE A 1 121 ? 7.308 9.646 -16.607 1.00 59.87 121 A 1 ATOM 961 C CG2 . ILE A 1 121 ? 7.322 10.146 -19.098 1.00 58.41 121 A 1 ATOM 962 C CD1 . ILE A 1 121 ? 6.986 11.077 -16.146 1.00 55.72 121 A 1 ATOM 963 N N . LYS A 1 122 ? 9.042 7.210 -20.464 1.00 64.73 122 A 1 ATOM 964 C CA . LYS A 1 122 ? 9.701 7.136 -21.783 1.00 63.95 122 A 1 ATOM 965 C C . LYS A 1 122 ? 8.975 7.979 -22.820 1.00 56.13 122 A 1 ATOM 966 O O . LYS A 1 122 ? 7.730 7.992 -22.782 1.00 51.36 122 A 1 ATOM 967 C CB . LYS A 1 122 ? 9.814 5.692 -22.278 1.00 58.91 122 A 1 ATOM 968 C CG . LYS A 1 122 ? 10.914 4.919 -21.553 1.00 53.98 122 A 1 ATOM 969 C CD . LYS A 1 122 ? 11.084 3.542 -22.207 1.00 52.20 122 A 1 ATOM 970 C CE . LYS A 1 122 ? 12.179 2.771 -21.484 1.00 49.00 122 A 1 ATOM 971 N NZ . LYS A 1 122 ? 12.300 1.392 -22.014 1.00 43.30 122 A 1 ATOM 972 O OXT . LYS A 1 122 ? 9.707 8.541 -23.674 1.00 54.66 122 A 1 #