# 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_orf148 # _entry.id orf148 # 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 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 ILE 2 1 n ASN 3 1 n ALA 4 1 n LYS 5 1 n GLU 6 1 n GLU 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n ALA 11 1 n LEU 12 1 n LYS 13 1 n ASN 14 1 n THR 15 1 n ASN 16 1 n SER 17 1 n GLU 18 1 n VAL 19 1 n LYS 20 1 n CYS 21 1 n ILE 22 1 n LYS 23 1 n ILE 24 1 n GLU 25 1 n PHE 26 1 n GLY 27 1 n TYR 28 1 n TYR 29 1 n GLY 30 1 n ASP 31 1 n LYS 32 1 n GLU 33 1 n VAL 34 1 n TRP 35 1 n VAL 36 1 n LEU 37 1 n PRO 38 1 n VAL 39 1 n GLY 40 1 n TYR 41 1 n THR 42 1 n GLU 43 1 n LYS 44 1 n ASP 45 1 n ILE 46 1 n GLU 47 1 n ASP 48 1 n PHE 49 1 n LEU 50 1 n ASP 51 1 n ASN 52 1 n LEU 53 1 n ASP 54 1 n PHE 55 1 n LYS 56 1 n TYR 57 1 n ASP 58 1 n SER 59 1 n GLY 60 1 n PHE 61 1 n GLY 62 1 n GLY 63 1 n GLN 64 1 n LEU 65 1 n LEU 66 1 n TYR 67 1 n GLY 68 1 n ASN 69 1 n VAL 70 1 n TRP 71 1 n PHE 72 1 n THR 73 1 n ASP 74 1 n GLY 75 1 n THR 76 1 n TRP 77 1 n LEU 78 1 n GLU 79 1 n ARG 80 1 n GLY 81 1 n GLU 82 1 n TYR 83 1 n ASP 84 1 n GLY 85 1 n SER 86 1 n GLU 87 1 n TRP 88 1 n TRP 89 1 n GLU 90 1 n TYR 91 1 n LYS 92 1 n THR 93 1 n THR 94 1 n PRO 95 1 n ALA 96 1 n ILE 97 1 n PRO 98 1 n GLU 99 1 n GLU 100 1 n CYS 101 1 n ARG 102 1 n THR 103 1 n ILE 104 1 n ASN 105 1 n GLY 106 1 n GLU 107 1 n VAL 108 1 n ASP 109 1 n ARG 110 1 n THR 111 1 n LEU 112 1 n LEU 113 1 n LEU 114 1 n ASN 115 # _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 01:31:37)" _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 85.04 _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 84.09 1 1 A ILE 2 2 87.68 1 2 A ASN 3 2 96.40 1 3 A ALA 4 2 96.96 1 4 A LYS 5 2 96.32 1 5 A GLU 6 2 93.10 1 6 A GLU 7 2 93.34 1 7 A LEU 8 2 97.26 1 8 A LEU 9 2 96.95 1 9 A LEU 10 2 91.50 1 10 A ALA 11 2 96.73 1 11 A LEU 12 2 96.60 1 12 A LYS 13 2 86.95 1 13 A ASN 14 2 88.91 1 14 A THR 15 2 90.69 1 15 A ASN 16 2 86.23 1 16 A SER 17 2 91.56 1 17 A GLU 18 2 87.94 1 18 A VAL 19 2 96.88 1 19 A LYS 20 2 92.89 1 20 A CYS 21 2 96.08 1 21 A ILE 22 2 96.29 1 22 A LYS 23 2 93.01 1 23 A ILE 24 2 96.16 1 24 A GLU 25 2 92.10 1 25 A PHE 26 2 92.56 1 26 A GLY 27 2 92.47 1 27 A TYR 28 2 78.18 1 28 A TYR 29 2 69.68 1 29 A GLY 30 2 82.26 1 30 A ASP 31 2 80.13 1 31 A LYS 32 2 89.39 1 32 A GLU 33 2 88.01 1 33 A VAL 34 2 95.15 1 34 A TRP 35 2 92.66 1 35 A VAL 36 2 94.82 1 36 A LEU 37 2 94.86 1 37 A PRO 38 2 96.11 1 38 A VAL 39 2 94.79 1 39 A GLY 40 2 96.61 1 40 A TYR 41 2 95.93 1 41 A THR 42 2 97.48 1 42 A GLU 43 2 90.68 1 43 A LYS 44 2 92.82 1 44 A ASP 45 2 96.30 1 45 A ILE 46 2 96.25 1 46 A GLU 47 2 92.14 1 47 A ASP 48 2 96.06 1 48 A PHE 49 2 97.85 1 49 A LEU 50 2 97.51 1 50 A ASP 51 2 95.77 1 51 A ASN 52 2 94.97 1 52 A LEU 53 2 95.85 1 53 A ASP 54 2 97.08 1 54 A PHE 55 2 96.37 1 55 A LYS 56 2 90.10 1 56 A TYR 57 2 91.99 1 57 A ASP 58 2 83.69 1 58 A SER 59 2 84.97 1 59 A GLY 60 2 78.04 1 60 A PHE 61 2 62.48 1 61 A GLY 62 2 79.45 1 62 A GLY 63 2 86.75 1 63 A GLN 64 2 88.98 1 64 A LEU 65 2 88.79 1 65 A LEU 66 2 92.40 1 66 A TYR 67 2 92.52 1 67 A GLY 68 2 96.07 1 68 A ASN 69 2 92.25 1 69 A VAL 70 2 95.97 1 70 A TRP 71 2 94.29 1 71 A PHE 72 2 95.68 1 72 A THR 73 2 93.88 1 73 A ASP 74 2 93.64 1 74 A GLY 75 2 93.69 1 75 A THR 76 2 95.31 1 76 A TRP 77 2 92.99 1 77 A LEU 78 2 95.35 1 78 A GLU 79 2 89.78 1 79 A ARG 80 2 89.45 1 80 A GLY 81 2 93.69 1 81 A GLU 82 2 86.92 1 82 A TYR 83 2 85.84 1 83 A ASP 84 2 82.47 1 84 A GLY 85 2 84.86 1 85 A SER 86 2 87.57 1 86 A GLU 87 2 89.08 1 87 A TRP 88 2 90.74 1 88 A TRP 89 2 95.25 1 89 A GLU 90 2 89.11 1 90 A TYR 91 2 90.36 1 91 A LYS 92 2 91.25 1 92 A THR 93 2 90.41 1 93 A THR 94 2 81.05 1 94 A PRO 95 2 81.05 1 95 A ALA 96 2 76.01 1 96 A ILE 97 2 67.14 1 97 A PRO 98 2 64.96 1 98 A GLU 99 2 56.06 1 99 A GLU 100 2 57.48 1 100 A CYS 101 2 63.94 1 101 A ARG 102 2 58.67 1 102 A THR 103 2 56.72 1 103 A ILE 104 2 52.84 1 104 A ASN 105 2 57.13 1 105 A GLY 106 2 56.80 1 106 A GLU 107 2 51.04 1 107 A VAL 108 2 52.23 1 108 A ASP 109 2 52.24 1 109 A ARG 110 2 48.94 1 110 A THR 111 2 54.80 1 111 A LEU 112 2 50.46 1 112 A LEU 113 2 48.23 1 113 A LEU 114 2 47.22 1 114 A ASN 115 2 43.01 1 115 # _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 ILE . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n GLU . 6 A 6 A 7 1 n GLU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n ILE . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n ILE . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n PHE . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n TYR . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n GLY . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n LYS . 32 A 32 A 33 1 n GLU . 33 A 33 A 34 1 n VAL . 34 A 34 A 35 1 n TRP . 35 A 35 A 36 1 n VAL . 36 A 36 A 37 1 n LEU . 37 A 37 A 38 1 n PRO . 38 A 38 A 39 1 n VAL . 39 A 39 A 40 1 n GLY . 40 A 40 A 41 1 n TYR . 41 A 41 A 42 1 n THR . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n LYS . 44 A 44 A 45 1 n ASP . 45 A 45 A 46 1 n ILE . 46 A 46 A 47 1 n GLU . 47 A 47 A 48 1 n ASP . 48 A 48 A 49 1 n PHE . 49 A 49 A 50 1 n LEU . 50 A 50 A 51 1 n ASP . 51 A 51 A 52 1 n ASN . 52 A 52 A 53 1 n LEU . 53 A 53 A 54 1 n ASP . 54 A 54 A 55 1 n PHE . 55 A 55 A 56 1 n LYS . 56 A 56 A 57 1 n TYR . 57 A 57 A 58 1 n ASP . 58 A 58 A 59 1 n SER . 59 A 59 A 60 1 n GLY . 60 A 60 A 61 1 n PHE . 61 A 61 A 62 1 n GLY . 62 A 62 A 63 1 n GLY . 63 A 63 A 64 1 n GLN . 64 A 64 A 65 1 n LEU . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n TYR . 67 A 67 A 68 1 n GLY . 68 A 68 A 69 1 n ASN . 69 A 69 A 70 1 n VAL . 70 A 70 A 71 1 n TRP . 71 A 71 A 72 1 n PHE . 72 A 72 A 73 1 n THR . 73 A 73 A 74 1 n ASP . 74 A 74 A 75 1 n GLY . 75 A 75 A 76 1 n THR . 76 A 76 A 77 1 n TRP . 77 A 77 A 78 1 n LEU . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n ARG . 80 A 80 A 81 1 n GLY . 81 A 81 A 82 1 n GLU . 82 A 82 A 83 1 n TYR . 83 A 83 A 84 1 n ASP . 84 A 84 A 85 1 n GLY . 85 A 85 A 86 1 n SER . 86 A 86 A 87 1 n GLU . 87 A 87 A 88 1 n TRP . 88 A 88 A 89 1 n TRP . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n TYR . 91 A 91 A 92 1 n LYS . 92 A 92 A 93 1 n THR . 93 A 93 A 94 1 n THR . 94 A 94 A 95 1 n PRO . 95 A 95 A 96 1 n ALA . 96 A 96 A 97 1 n ILE . 97 A 97 A 98 1 n PRO . 98 A 98 A 99 1 n GLU . 99 A 99 A 100 1 n GLU . 100 A 100 A 101 1 n CYS . 101 A 101 A 102 1 n ARG . 102 A 102 A 103 1 n THR . 103 A 103 A 104 1 n ILE . 104 A 104 A 105 1 n ASN . 105 A 105 A 106 1 n GLY . 106 A 106 A 107 1 n GLU . 107 A 107 A 108 1 n VAL . 108 A 108 A 109 1 n ASP . 109 A 109 A 110 1 n ARG . 110 A 110 A 111 1 n THR . 111 A 111 A 112 1 n LEU . 112 A 112 A 113 1 n LEU . 113 A 113 A 114 1 n LEU . 114 A 114 A 115 1 n ASN . 115 A 115 # _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 ? 13.128 -12.538 -6.705 1.00 87.77 1 A 1 ATOM 2 C CA . MET A 1 1 ? 11.900 -13.156 -6.165 1.00 90.47 1 A 1 ATOM 3 C C . MET A 1 1 ? 11.807 -12.890 -4.679 1.00 91.61 1 A 1 ATOM 4 O O . MET A 1 1 ? 12.784 -13.130 -3.972 1.00 89.51 1 A 1 ATOM 5 C CB . MET A 1 1 ? 11.819 -14.671 -6.407 1.00 86.59 1 A 1 ATOM 6 C CG . MET A 1 1 ? 11.570 -15.027 -7.871 1.00 79.75 1 A 1 ATOM 7 S SD . MET A 1 1 ? 11.027 -16.743 -8.140 1.00 77.23 1 A 1 ATOM 8 C CE . MET A 1 1 ? 12.465 -17.679 -7.547 1.00 69.80 1 A 1 ATOM 9 N N . ILE A 1 2 ? 10.655 -12.435 -4.234 1.00 92.77 2 A 1 ATOM 10 C CA . ILE A 1 2 ? 10.304 -12.130 -2.842 1.00 93.64 2 A 1 ATOM 11 C C . ILE A 1 2 ? 9.008 -12.864 -2.478 1.00 95.08 2 A 1 ATOM 12 O O . ILE A 1 2 ? 8.248 -13.253 -3.370 1.00 95.07 2 A 1 ATOM 13 C CB . ILE A 1 2 ? 10.232 -10.600 -2.649 1.00 91.42 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? 10.171 -10.233 -1.151 1.00 80.67 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? 9.059 -9.979 -3.434 1.00 79.82 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? 10.481 -8.762 -0.872 1.00 72.95 2 A 1 ATOM 17 N N . ASN A 1 3 ? 8.767 -13.125 -1.185 1.00 96.12 3 A 1 ATOM 18 C CA . ASN A 1 3 ? 7.499 -13.669 -0.705 1.00 96.99 3 A 1 ATOM 19 C C . ASN A 1 3 ? 6.549 -12.508 -0.357 1.00 97.12 3 A 1 ATOM 20 O O . ASN A 1 3 ? 6.933 -11.609 0.383 1.00 96.97 3 A 1 ATOM 21 C CB . ASN A 1 3 ? 7.784 -14.609 0.475 1.00 97.23 3 A 1 ATOM 22 C CG . ASN A 1 3 ? 6.529 -15.200 1.075 1.00 97.54 3 A 1 ATOM 23 O OD1 . ASN A 1 3 ? 5.770 -14.511 1.723 1.00 94.74 3 A 1 ATOM 24 N ND2 . ASN A 1 3 ? 6.272 -16.472 0.888 1.00 94.45 3 A 1 ATOM 25 N N . ALA A 1 4 ? 5.327 -12.532 -0.886 1.00 96.89 4 A 1 ATOM 26 C CA . ALA A 1 4 ? 4.376 -11.425 -0.755 1.00 96.83 4 A 1 ATOM 27 C C . ALA A 1 4 ? 3.935 -11.196 0.702 1.00 97.30 4 A 1 ATOM 28 O O . ALA A 1 4 ? 3.839 -10.052 1.150 1.00 97.33 4 A 1 ATOM 29 C CB . ALA A 1 4 ? 3.175 -11.708 -1.669 1.00 96.47 4 A 1 ATOM 30 N N . LYS A 1 5 ? 3.740 -12.276 1.470 1.00 97.39 5 A 1 ATOM 31 C CA . LYS A 1 5 ? 3.448 -12.220 2.914 1.00 97.86 5 A 1 ATOM 32 C C . LYS A 1 5 ? 4.597 -11.591 3.698 1.00 97.88 5 A 1 ATOM 33 O O . LYS A 1 5 ? 4.372 -10.675 4.483 1.00 97.97 5 A 1 ATOM 34 C CB . LYS A 1 5 ? 3.145 -13.644 3.407 1.00 98.04 5 A 1 ATOM 35 C CG . LYS A 1 5 ? 2.875 -13.782 4.909 1.00 97.68 5 A 1 ATOM 36 C CD . LYS A 1 5 ? 2.639 -15.269 5.200 1.00 96.72 5 A 1 ATOM 37 C CE . LYS A 1 5 ? 2.098 -15.577 6.597 1.00 93.43 5 A 1 ATOM 38 N NZ . LYS A 1 5 ? 1.471 -16.938 6.603 1.00 89.93 5 A 1 ATOM 39 N N . GLU A 1 6 ? 5.827 -12.066 3.473 1.00 97.70 6 A 1 ATOM 40 C CA . GLU A 1 6 ? 7.010 -11.539 4.165 1.00 97.47 6 A 1 ATOM 41 C C . GLU A 1 6 ? 7.238 -10.056 3.847 1.00 97.35 6 A 1 ATOM 42 O O . GLU A 1 6 ? 7.528 -9.273 4.750 1.00 96.98 6 A 1 ATOM 43 C CB . GLU A 1 6 ? 8.260 -12.341 3.773 1.00 97.31 6 A 1 ATOM 44 C CG . GLU A 1 6 ? 8.281 -13.776 4.329 1.00 94.10 6 A 1 ATOM 45 C CD . GLU A 1 6 ? 9.483 -14.604 3.832 1.00 90.15 6 A 1 ATOM 46 O OE1 . GLU A 1 6 ? 9.584 -15.784 4.237 1.00 82.52 6 A 1 ATOM 47 O OE2 . GLU A 1 6 ? 10.307 -14.088 3.036 1.00 84.30 6 A 1 ATOM 48 N N . GLU A 1 7 ? 7.058 -9.663 2.589 1.00 97.19 7 A 1 ATOM 49 C CA . GLU A 1 7 ? 7.186 -8.271 2.152 1.00 96.66 7 A 1 ATOM 50 C C . GLU A 1 7 ? 6.146 -7.363 2.822 1.00 96.91 7 A 1 ATOM 51 O O . GLU A 1 7 ? 6.498 -6.316 3.369 1.00 96.31 7 A 1 ATOM 52 C CB . GLU A 1 7 ? 7.055 -8.212 0.625 1.00 95.46 7 A 1 ATOM 53 C CG . GLU A 1 7 ? 7.441 -6.828 0.093 1.00 91.87 7 A 1 ATOM 54 C CD . GLU A 1 7 ? 7.076 -6.605 -1.376 1.00 91.73 7 A 1 ATOM 55 O OE1 . GLU A 1 7 ? 7.461 -5.540 -1.904 1.00 86.16 7 A 1 ATOM 56 O OE2 . GLU A 1 7 ? 6.303 -7.389 -1.958 1.00 87.81 7 A 1 ATOM 57 N N . LEU A 1 8 ? 4.882 -7.790 2.843 1.00 97.32 8 A 1 ATOM 58 C CA . LEU A 1 8 ? 3.813 -7.058 3.526 1.00 97.52 8 A 1 ATOM 59 C C . LEU A 1 8 ? 4.101 -6.918 5.025 1.00 97.56 8 A 1 ATOM 60 O O . LEU A 1 8 ? 4.021 -5.815 5.567 1.00 97.43 8 A 1 ATOM 61 C CB . LEU A 1 8 ? 2.472 -7.773 3.280 1.00 97.69 8 A 1 ATOM 62 C CG . LEU A 1 8 ? 1.291 -7.151 4.048 1.00 97.47 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? 0.992 -5.722 3.600 1.00 96.54 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? 0.038 -7.997 3.855 1.00 96.59 8 A 1 ATOM 65 N N . LEU A 1 9 ? 4.465 -8.017 5.700 1.00 97.64 9 A 1 ATOM 66 C CA . LEU A 1 9 ? 4.765 -7.994 7.134 1.00 97.41 9 A 1 ATOM 67 C C . LEU A 1 9 ? 5.959 -7.087 7.463 1.00 97.19 9 A 1 ATOM 68 O O . LEU A 1 9 ? 5.938 -6.385 8.476 1.00 96.98 9 A 1 ATOM 69 C CB . LEU A 1 9 ? 5.020 -9.427 7.628 1.00 97.48 9 A 1 ATOM 70 C CG . LEU A 1 9 ? 3.769 -10.324 7.681 1.00 96.99 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? 4.190 -11.739 8.077 1.00 95.87 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? 2.733 -9.830 8.692 1.00 96.04 9 A 1 ATOM 73 N N . LEU A 1 10 ? 6.980 -7.067 6.605 1.00 96.89 10 A 1 ATOM 74 C CA . LEU A 1 10 ? 8.115 -6.158 6.754 1.00 96.36 10 A 1 ATOM 75 C C . LEU A 1 10 ? 7.691 -4.695 6.585 1.00 96.38 10 A 1 ATOM 76 O O . LEU A 1 10 ? 8.104 -3.848 7.375 1.00 96.01 10 A 1 ATOM 77 C CB . LEU A 1 10 ? 9.210 -6.555 5.747 1.00 95.86 10 A 1 ATOM 78 C CG . LEU A 1 10 ? 10.475 -5.681 5.826 1.00 85.08 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? 11.176 -5.795 7.186 1.00 82.22 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? 11.461 -6.112 4.743 1.00 83.24 10 A 1 ATOM 81 N N . ALA A 1 11 ? 6.851 -4.402 5.594 1.00 97.06 11 A 1 ATOM 82 C CA . ALA A 1 11 ? 6.323 -3.056 5.382 1.00 96.84 11 A 1 ATOM 83 C C . ALA A 1 11 ? 5.487 -2.588 6.585 1.00 96.85 11 A 1 ATOM 84 O O . ALA A 1 11 ? 5.713 -1.493 7.100 1.00 96.12 11 A 1 ATOM 85 C CB . ALA A 1 11 ? 5.523 -3.038 4.077 1.00 96.78 11 A 1 ATOM 86 N N . LEU A 1 12 ? 4.604 -3.450 7.103 1.00 97.27 12 A 1 ATOM 87 C CA . LEU A 1 12 ? 3.788 -3.163 8.286 1.00 97.04 12 A 1 ATOM 88 C C . LEU A 1 12 ? 4.638 -2.917 9.536 1.00 96.55 12 A 1 ATOM 89 O O . LEU A 1 12 ? 4.372 -1.975 10.278 1.00 95.56 12 A 1 ATOM 90 C CB . LEU A 1 12 ? 2.814 -4.328 8.528 1.00 97.23 12 A 1 ATOM 91 C CG . LEU A 1 12 ? 1.693 -4.450 7.483 1.00 96.97 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? 0.868 -5.705 7.771 1.00 96.09 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? 0.762 -3.243 7.499 1.00 96.10 12 A 1 ATOM 94 N N . LYS A 1 13 ? 5.708 -3.705 9.741 1.00 96.60 13 A 1 ATOM 95 C CA . LYS A 1 13 ? 6.625 -3.541 10.880 1.00 95.49 13 A 1 ATOM 96 C C . LYS A 1 13 ? 7.307 -2.166 10.918 1.00 95.11 13 A 1 ATOM 97 O O . LYS A 1 13 ? 7.698 -1.709 11.991 1.00 93.27 13 A 1 ATOM 98 C CB . LYS A 1 13 ? 7.658 -4.673 10.824 1.00 94.62 13 A 1 ATOM 99 C CG . LYS A 1 13 ? 8.571 -4.684 12.052 1.00 84.94 13 A 1 ATOM 100 C CD . LYS A 1 13 ? 9.564 -5.841 11.971 1.00 81.80 13 A 1 ATOM 101 C CE . LYS A 1 13 ? 10.489 -5.786 13.185 1.00 74.01 13 A 1 ATOM 102 N NZ . LYS A 1 13 ? 11.505 -6.865 13.121 1.00 66.72 13 A 1 ATOM 103 N N . ASN A 1 14 ? 7.469 -1.532 9.771 1.00 94.27 14 A 1 ATOM 104 C CA . ASN A 1 14 ? 8.051 -0.193 9.660 1.00 93.09 14 A 1 ATOM 105 C C . ASN A 1 14 ? 7.022 0.933 9.883 1.00 93.18 14 A 1 ATOM 106 O O . ASN A 1 14 ? 7.367 2.108 9.756 1.00 90.84 14 A 1 ATOM 107 C CB . ASN A 1 14 ? 8.764 -0.081 8.301 1.00 91.99 14 A 1 ATOM 108 C CG . ASN A 1 14 ? 9.949 -1.022 8.172 1.00 87.74 14 A 1 ATOM 109 O OD1 . ASN A 1 14 ? 10.668 -1.321 9.112 1.00 80.96 14 A 1 ATOM 110 N ND2 . ASN A 1 14 ? 10.211 -1.511 6.983 1.00 79.18 14 A 1 ATOM 111 N N . THR A 1 15 ? 5.781 0.586 10.209 1.00 94.88 15 A 1 ATOM 112 C CA . THR A 1 15 ? 4.716 1.536 10.553 1.00 93.73 15 A 1 ATOM 113 C C . THR A 1 15 ? 4.360 1.415 12.037 1.00 91.98 15 A 1 ATOM 114 O O . THR A 1 15 ? 4.517 0.357 12.647 1.00 87.27 15 A 1 ATOM 115 C CB . THR A 1 15 ? 3.473 1.364 9.668 1.00 93.47 15 A 1 ATOM 116 O OG1 . THR A 1 15 ? 2.759 0.200 10.006 1.00 87.89 15 A 1 ATOM 117 C CG2 . THR A 1 15 ? 3.804 1.318 8.176 1.00 85.61 15 A 1 ATOM 118 N N . ASN A 1 16 ? 3.876 2.499 12.626 1.00 93.40 16 A 1 ATOM 119 C CA . ASN A 1 16 ? 3.423 2.519 14.023 1.00 92.32 16 A 1 ATOM 120 C C . ASN A 1 16 ? 1.892 2.588 14.150 1.00 92.89 16 A 1 ATOM 121 O O . ASN A 1 16 ? 1.376 2.826 15.241 1.00 89.78 16 A 1 ATOM 122 C CB . ASN A 1 16 ? 4.109 3.689 14.754 1.00 89.31 16 A 1 ATOM 123 C CG . ASN A 1 16 ? 5.606 3.508 14.908 1.00 82.16 16 A 1 ATOM 124 O OD1 . ASN A 1 16 ? 6.136 2.437 15.154 1.00 75.44 16 A 1 ATOM 125 N ND2 . ASN A 1 16 ? 6.362 4.572 14.797 1.00 74.54 16 A 1 ATOM 126 N N . SER A 1 17 ? 1.182 2.422 13.039 1.00 93.77 17 A 1 ATOM 127 C CA . SER A 1 17 ? -0.262 2.635 12.960 1.00 94.02 17 A 1 ATOM 128 C C . SER A 1 17 ? -0.999 1.300 12.878 1.00 95.29 17 A 1 ATOM 129 O O . SER A 1 17 ? -0.533 0.351 12.251 1.00 94.21 17 A 1 ATOM 130 C CB . SER A 1 17 ? -0.593 3.521 11.756 1.00 91.90 17 A 1 ATOM 131 O OG . SER A 1 17 ? 0.189 4.702 11.812 1.00 80.18 17 A 1 ATOM 132 N N . GLU A 1 18 ? -2.166 1.220 13.499 1.00 95.86 18 A 1 ATOM 133 C CA . GLU A 1 18 ? -3.006 0.024 13.447 1.00 96.61 18 A 1 ATOM 134 C C . GLU A 1 18 ? -3.644 -0.132 12.064 1.00 97.26 18 A 1 ATOM 135 O O . GLU A 1 18 ? -4.175 0.827 11.494 1.00 96.70 18 A 1 ATOM 136 C CB . GLU A 1 18 ? -4.094 0.076 14.522 1.00 95.66 18 A 1 ATOM 137 C CG . GLU A 1 18 ? -3.534 0.014 15.950 1.00 84.91 18 A 1 ATOM 138 C CD . GLU A 1 18 ? -4.641 0.039 17.018 1.00 80.47 18 A 1 ATOM 139 O OE1 . GLU A 1 18 ? -4.308 -0.241 18.193 1.00 71.65 18 A 1 ATOM 140 O OE2 . GLU A 1 18 ? -5.804 0.352 16.666 1.00 72.37 18 A 1 ATOM 141 N N . VAL A 1 19 ? -3.622 -1.359 11.550 1.00 96.88 19 A 1 ATOM 142 C CA . VAL A 1 19 ? -4.252 -1.683 10.265 1.00 97.36 19 A 1 ATOM 143 C C . VAL A 1 19 ? -5.769 -1.602 10.400 1.00 97.56 19 A 1 ATOM 144 O O . VAL A 1 19 ? -6.369 -2.241 11.260 1.00 97.00 19 A 1 ATOM 145 C CB . VAL A 1 19 ? -3.817 -3.069 9.759 1.00 97.21 19 A 1 ATOM 146 C CG1 . VAL A 1 19 ? -4.537 -3.458 8.460 1.00 96.31 19 A 1 ATOM 147 C CG2 . VAL A 1 19 ? -2.307 -3.097 9.488 1.00 95.83 19 A 1 ATOM 148 N N . LYS A 1 20 ? -6.398 -0.849 9.507 1.00 96.51 20 A 1 ATOM 149 C CA . LYS A 1 20 ? -7.855 -0.728 9.404 1.00 96.69 20 A 1 ATOM 150 C C . LYS A 1 20 ? -8.448 -1.763 8.448 1.00 97.21 20 A 1 ATOM 151 O O . LYS A 1 20 ? -9.478 -2.356 8.748 1.00 96.60 20 A 1 ATOM 152 C CB . LYS A 1 20 ? -8.180 0.709 8.976 1.00 96.22 20 A 1 ATOM 153 C CG . LYS A 1 20 ? -9.687 0.970 8.911 1.00 94.72 20 A 1 ATOM 154 C CD . LYS A 1 20 ? -9.925 2.426 8.522 1.00 92.66 20 A 1 ATOM 155 C CE . LYS A 1 20 ? -11.422 2.713 8.461 1.00 86.52 20 A 1 ATOM 156 N NZ . LYS A 1 20 ? -11.649 4.141 8.131 1.00 78.86 20 A 1 ATOM 157 N N . CYS A 1 21 ? -7.838 -1.934 7.288 1.00 96.33 21 A 1 ATOM 158 C CA . CYS A 1 21 ? -8.187 -2.940 6.280 1.00 96.35 21 A 1 ATOM 159 C C . CYS A 1 21 ? -7.084 -3.038 5.221 1.00 96.65 21 A 1 ATOM 160 O O . CYS A 1 21 ? -6.253 -2.135 5.100 1.00 96.58 21 A 1 ATOM 161 C CB . CYS A 1 21 ? -9.538 -2.602 5.625 1.00 95.79 21 A 1 ATOM 162 S SG . CYS A 1 21 ? -9.559 -0.956 4.849 1.00 94.78 21 A 1 ATOM 163 N N . ILE A 1 22 ? -7.086 -4.111 4.431 1.00 96.75 22 A 1 ATOM 164 C CA . ILE A 1 22 ? -6.127 -4.344 3.347 1.00 96.77 22 A 1 ATOM 165 C C . ILE A 1 22 ? -6.876 -4.831 2.111 1.00 96.43 22 A 1 ATOM 166 O O . ILE A 1 22 ? -7.794 -5.644 2.217 1.00 96.03 22 A 1 ATOM 167 C CB . ILE A 1 22 ? -5.022 -5.349 3.761 1.00 96.96 22 A 1 ATOM 168 C CG1 . ILE A 1 22 ? -4.405 -4.998 5.138 1.00 95.76 22 A 1 ATOM 169 C CG2 . ILE A 1 22 ? -3.939 -5.415 2.664 1.00 95.89 22 A 1 ATOM 170 C CD1 . ILE A 1 22 ? -3.249 -5.893 5.592 1.00 95.71 22 A 1 ATOM 171 N N . LYS A 1 23 ? -6.446 -4.380 0.937 1.00 96.99 23 A 1 ATOM 172 C CA . LYS A 1 23 ? -6.825 -4.972 -0.347 1.00 96.71 23 A 1 ATOM 173 C C . LYS A 1 23 ? -5.565 -5.202 -1.169 1.00 96.27 23 A 1 ATOM 174 O O . LYS A 1 23 ? -4.833 -4.250 -1.418 1.00 95.37 23 A 1 ATOM 175 C CB . LYS A 1 23 ? -7.819 -4.066 -1.079 1.00 95.93 23 A 1 ATOM 176 C CG . LYS A 1 23 ? -8.289 -4.716 -2.391 1.00 95.10 23 A 1 ATOM 177 C CD . LYS A 1 23 ? -9.183 -3.775 -3.207 1.00 92.90 23 A 1 ATOM 178 C CE . LYS A 1 23 ? -9.554 -4.518 -4.494 1.00 87.28 23 A 1 ATOM 179 N NZ . LYS A 1 23 ? -9.921 -3.612 -5.600 1.00 80.50 23 A 1 ATOM 180 N N . ILE A 1 24 ? -5.343 -6.436 -1.603 1.00 97.34 24 A 1 ATOM 181 C CA . ILE A 1 24 ? -4.235 -6.829 -2.475 1.00 97.17 24 A 1 ATOM 182 C C . ILE A 1 24 ? -4.802 -7.531 -3.703 1.00 96.76 24 A 1 ATOM 183 O O . ILE A 1 24 ? -5.751 -8.310 -3.611 1.00 96.04 24 A 1 ATOM 184 C CB . ILE A 1 24 ? -3.191 -7.666 -1.704 1.00 96.93 24 A 1 ATOM 185 C CG1 . ILE A 1 24 ? -2.511 -6.753 -0.655 1.00 95.68 24 A 1 ATOM 186 C CG2 . ILE A 1 24 ? -2.148 -8.281 -2.653 1.00 95.65 24 A 1 ATOM 187 C CD1 . ILE A 1 24 ? -1.434 -7.428 0.196 1.00 93.70 24 A 1 ATOM 188 N N . GLU A 1 25 ? -4.206 -7.230 -4.850 1.00 96.54 25 A 1 ATOM 189 C CA . GLU A 1 25 ? -4.491 -7.877 -6.126 1.00 96.16 25 A 1 ATOM 190 C C . GLU A 1 25 ? -3.182 -8.429 -6.686 1.00 96.04 25 A 1 ATOM 191 O O . GLU A 1 25 ? -2.156 -7.748 -6.640 1.00 95.18 25 A 1 ATOM 192 C CB . GLU A 1 25 ? -5.130 -6.887 -7.117 1.00 95.08 25 A 1 ATOM 193 C CG . GLU A 1 25 ? -6.404 -6.204 -6.605 1.00 92.35 25 A 1 ATOM 194 C CD . GLU A 1 25 ? -7.023 -5.205 -7.601 1.00 91.10 25 A 1 ATOM 195 O OE1 . GLU A 1 25 ? -7.904 -4.417 -7.166 1.00 82.83 25 A 1 ATOM 196 O OE2 . GLU A 1 25 ? -6.653 -5.193 -8.798 1.00 83.61 25 A 1 ATOM 197 N N . PHE A 1 26 ? -3.206 -9.641 -7.239 1.00 95.21 26 A 1 ATOM 198 C CA . PHE A 1 26 ? -2.041 -10.279 -7.836 1.00 95.13 26 A 1 ATOM 199 C C . PHE A 1 26 ? -2.359 -10.805 -9.232 1.00 94.92 26 A 1 ATOM 200 O O . PHE A 1 26 ? -3.365 -11.484 -9.430 1.00 93.97 26 A 1 ATOM 201 C CB . PHE A 1 26 ? -1.536 -11.398 -6.926 1.00 94.29 26 A 1 ATOM 202 C CG . PHE A 1 26 ? -0.347 -12.143 -7.501 1.00 93.57 26 A 1 ATOM 203 C CD1 . PHE A 1 26 ? -0.513 -13.419 -8.075 1.00 91.06 26 A 1 ATOM 204 C CD2 . PHE A 1 26 ? 0.924 -11.542 -7.499 1.00 91.21 26 A 1 ATOM 205 C CE1 . PHE A 1 26 ? 0.592 -14.095 -8.627 1.00 89.81 26 A 1 ATOM 206 C CE2 . PHE A 1 26 ? 2.028 -12.217 -8.053 1.00 89.52 26 A 1 ATOM 207 C CZ . PHE A 1 26 ? 1.862 -13.494 -8.614 1.00 89.46 26 A 1 ATOM 208 N N . GLY A 1 27 ? -1.481 -10.518 -10.194 1.00 93.74 27 A 1 ATOM 209 C CA . GLY A 1 27 ? -1.583 -10.996 -11.567 1.00 92.73 27 A 1 ATOM 210 C C . GLY A 1 27 ? -1.538 -9.882 -12.603 1.00 92.54 27 A 1 ATOM 211 O O . GLY A 1 27 ? -1.443 -8.693 -12.289 1.00 90.89 27 A 1 ATOM 212 N N . TYR A 1 28 ? -1.595 -10.278 -13.866 1.00 89.17 28 A 1 ATOM 213 C CA . TYR A 1 28 ? -1.515 -9.354 -14.993 1.00 87.61 28 A 1 ATOM 214 C C . TYR A 1 28 ? -2.908 -8.888 -15.434 1.00 87.97 28 A 1 ATOM 215 O O . TYR A 1 28 ? -3.802 -9.698 -15.667 1.00 83.76 28 A 1 ATOM 216 C CB . TYR A 1 28 ? -0.764 -10.003 -16.161 1.00 83.51 28 A 1 ATOM 217 C CG . TYR A 1 28 ? 0.709 -10.266 -15.896 1.00 79.88 28 A 1 ATOM 218 C CD1 . TYR A 1 28 ? 1.630 -9.197 -15.908 1.00 75.79 28 A 1 ATOM 219 C CD2 . TYR A 1 28 ? 1.164 -11.578 -15.666 1.00 74.86 28 A 1 ATOM 220 C CE1 . TYR A 1 28 ? 3.003 -9.441 -15.690 1.00 70.44 28 A 1 ATOM 221 C CE2 . TYR A 1 28 ? 2.538 -11.824 -15.448 1.00 70.16 28 A 1 ATOM 222 C CZ . TYR A 1 28 ? 3.457 -10.755 -15.463 1.00 68.68 28 A 1 ATOM 223 O OH . TYR A 1 28 ? 4.780 -10.995 -15.254 1.00 66.34 28 A 1 ATOM 224 N N . TYR A 1 29 ? -3.046 -7.577 -15.646 1.00 84.85 29 A 1 ATOM 225 C CA . TYR A 1 29 ? -4.203 -6.924 -16.279 1.00 82.73 29 A 1 ATOM 226 C C . TYR A 1 29 ? -5.585 -7.418 -15.814 1.00 82.28 29 A 1 ATOM 227 O O . TYR A 1 29 ? -6.019 -7.031 -14.724 1.00 73.93 29 A 1 ATOM 228 C CB . TYR A 1 29 ? -4.027 -6.933 -17.812 1.00 77.75 29 A 1 ATOM 229 C CG . TYR A 1 29 ? -2.822 -6.150 -18.315 1.00 71.65 29 A 1 ATOM 230 C CD1 . TYR A 1 29 ? -2.879 -4.740 -18.358 1.00 67.48 29 A 1 ATOM 231 C CD2 . TYR A 1 29 ? -1.656 -6.815 -18.732 1.00 65.98 29 A 1 ATOM 232 C CE1 . TYR A 1 29 ? -1.769 -3.999 -18.815 1.00 59.07 29 A 1 ATOM 233 C CE2 . TYR A 1 29 ? -0.544 -6.073 -19.190 1.00 59.92 29 A 1 ATOM 234 C CZ . TYR A 1 29 ? -0.601 -4.664 -19.235 1.00 57.06 29 A 1 ATOM 235 O OH . TYR A 1 29 ? 0.469 -3.946 -19.680 1.00 53.48 29 A 1 ATOM 236 N N . GLY A 1 30 ? -6.307 -8.184 -16.626 1.00 82.83 30 A 1 ATOM 237 C CA . GLY A 1 30 ? -7.708 -8.564 -16.400 1.00 82.42 30 A 1 ATOM 238 C C . GLY A 1 30 ? -7.937 -9.789 -15.513 1.00 84.21 30 A 1 ATOM 239 O O . GLY A 1 30 ? -9.038 -9.933 -14.988 1.00 79.58 30 A 1 ATOM 240 N N . ASP A 1 31 ? -6.917 -10.619 -15.302 1.00 87.76 31 A 1 ATOM 241 C CA . ASP A 1 31 ? -7.010 -11.868 -14.540 1.00 87.64 31 A 1 ATOM 242 C C . ASP A 1 31 ? -6.248 -11.738 -13.218 1.00 88.85 31 A 1 ATOM 243 O O . ASP A 1 31 ? -5.165 -12.297 -13.034 1.00 85.96 31 A 1 ATOM 244 C CB . ASP A 1 31 ? -6.525 -13.050 -15.397 1.00 82.30 31 A 1 ATOM 245 C CG . ASP A 1 31 ? -7.414 -13.336 -16.612 1.00 72.47 31 A 1 ATOM 246 O OD1 . ASP A 1 31 ? -8.654 -13.201 -16.494 1.00 68.01 31 A 1 ATOM 247 O OD2 . ASP A 1 31 ? -6.845 -13.704 -17.667 1.00 68.06 31 A 1 ATOM 248 N N . LYS A 1 32 ? -6.787 -10.922 -12.308 1.00 92.95 32 A 1 ATOM 249 C CA . LYS A 1 32 ? -6.188 -10.717 -10.990 1.00 93.75 32 A 1 ATOM 250 C C . LYS A 1 32 ? -6.915 -11.515 -9.916 1.00 94.68 32 A 1 ATOM 251 O O . LYS A 1 32 ? -8.139 -11.437 -9.794 1.00 93.45 32 A 1 ATOM 252 C CB . LYS A 1 32 ? -6.134 -9.230 -10.623 1.00 91.88 32 A 1 ATOM 253 C CG . LYS A 1 32 ? -5.177 -8.445 -11.530 1.00 90.05 32 A 1 ATOM 254 C CD . LYS A 1 32 ? -5.060 -7.009 -11.021 1.00 87.54 32 A 1 ATOM 255 C CE . LYS A 1 32 ? -4.135 -6.187 -11.911 1.00 83.31 32 A 1 ATOM 256 N NZ . LYS A 1 32 ? -3.992 -4.814 -11.371 1.00 76.92 32 A 1 ATOM 257 N N . GLU A 1 33 ? -6.141 -12.214 -9.094 1.00 95.08 33 A 1 ATOM 258 C CA . GLU A 1 33 ? -6.615 -12.703 -7.803 1.00 95.39 33 A 1 ATOM 259 C C . GLU A 1 33 ? -6.709 -11.530 -6.829 1.00 95.96 33 A 1 ATOM 260 O O . GLU A 1 33 ? -5.877 -10.624 -6.847 1.00 94.73 33 A 1 ATOM 261 C CB . GLU A 1 33 ? -5.700 -13.807 -7.271 1.00 94.35 33 A 1 ATOM 262 C CG . GLU A 1 33 ? -5.766 -15.060 -8.160 1.00 87.33 33 A 1 ATOM 263 C CD . GLU A 1 33 ? -4.953 -16.244 -7.609 1.00 82.52 33 A 1 ATOM 264 O OE1 . GLU A 1 33 ? -4.629 -17.137 -8.421 1.00 73.40 33 A 1 ATOM 265 O OE2 . GLU A 1 33 ? -4.707 -16.282 -6.387 1.00 73.37 33 A 1 ATOM 266 N N . VAL A 1 34 ? -7.750 -11.526 -6.007 1.00 95.81 34 A 1 ATOM 267 C CA . VAL A 1 34 ? -8.029 -10.416 -5.087 1.00 96.07 34 A 1 ATOM 268 C C . VAL A 1 34 ? -8.224 -10.964 -3.685 1.00 96.63 34 A 1 ATOM 269 O O . VAL A 1 34 ? -9.111 -11.786 -3.455 1.00 96.14 34 A 1 ATOM 270 C CB . VAL A 1 34 ? -9.259 -9.595 -5.518 1.00 95.09 34 A 1 ATOM 271 C CG1 . VAL A 1 34 ? -9.463 -8.380 -4.589 1.00 93.07 34 A 1 ATOM 272 C CG2 . VAL A 1 34 ? -9.136 -9.072 -6.954 1.00 93.24 34 A 1 ATOM 273 N N . TRP A 1 35 ? -7.444 -10.437 -2.744 1.00 96.54 35 A 1 ATOM 274 C CA . TRP A 1 35 ? -7.574 -10.745 -1.326 1.00 96.59 35 A 1 ATOM 275 C C . TRP A 1 35 ? -7.869 -9.481 -0.538 1.00 96.99 35 A 1 ATOM 276 O O . TRP A 1 35 ? -7.300 -8.416 -0.776 1.00 96.12 35 A 1 ATOM 277 C CB . TRP A 1 35 ? -6.319 -11.452 -0.823 1.00 95.92 35 A 1 ATOM 278 C CG . TRP A 1 35 ? -5.942 -12.641 -1.643 1.00 95.47 35 A 1 ATOM 279 C CD1 . TRP A 1 35 ? -6.607 -13.817 -1.683 1.00 90.78 35 A 1 ATOM 280 C CD2 . TRP A 1 35 ? -4.844 -12.758 -2.585 1.00 93.50 35 A 1 ATOM 281 N NE1 . TRP A 1 35 ? -5.979 -14.664 -2.582 1.00 89.71 35 A 1 ATOM 282 C CE2 . TRP A 1 35 ? -4.882 -14.065 -3.157 1.00 92.79 35 A 1 ATOM 283 C CE3 . TRP A 1 35 ? -3.813 -11.895 -3.000 1.00 89.50 35 A 1 ATOM 284 C CZ2 . TRP A 1 35 ? -3.924 -14.505 -4.080 1.00 90.29 35 A 1 ATOM 285 C CZ3 . TRP A 1 35 ? -2.850 -12.322 -3.931 1.00 86.39 35 A 1 ATOM 286 C CH2 . TRP A 1 35 ? -2.899 -13.626 -4.464 1.00 86.72 35 A 1 ATOM 287 N N . VAL A 1 36 ? -8.790 -9.609 0.411 1.00 96.29 36 A 1 ATOM 288 C CA . VAL A 1 36 ? -9.257 -8.490 1.227 1.00 96.37 36 A 1 ATOM 289 C C . VAL A 1 36 ? -9.222 -8.894 2.692 1.00 96.68 36 A 1 ATOM 290 O O . VAL A 1 36 ? -9.803 -9.907 3.066 1.00 96.38 36 A 1 ATOM 291 C CB . VAL A 1 36 ? -10.670 -8.042 0.808 1.00 95.54 36 A 1 ATOM 292 C CG1 . VAL A 1 36 ? -11.171 -6.868 1.665 1.00 91.46 36 A 1 ATOM 293 C CG2 . VAL A 1 36 ? -10.705 -7.583 -0.659 1.00 91.01 36 A 1 ATOM 294 N N . LEU A 1 37 ? -8.595 -8.058 3.503 1.00 95.45 37 A 1 ATOM 295 C CA . LEU A 1 37 ? -8.784 -8.041 4.943 1.00 95.83 37 A 1 ATOM 296 C C . LEU A 1 37 ? -9.774 -6.905 5.262 1.00 96.19 37 A 1 ATOM 297 O O . LEU A 1 37 ? -9.411 -5.733 5.121 1.00 96.05 37 A 1 ATOM 298 C CB . LEU A 1 37 ? -7.414 -7.874 5.624 1.00 96.27 37 A 1 ATOM 299 C CG . LEU A 1 37 ? -7.485 -8.025 7.150 1.00 94.99 37 A 1 ATOM 300 C CD1 . LEU A 1 37 ? -7.802 -9.462 7.564 1.00 91.64 37 A 1 ATOM 301 C CD2 . LEU A 1 37 ? -6.138 -7.634 7.758 1.00 92.43 37 A 1 ATOM 302 N N . PRO A 1 38 ? -11.034 -7.213 5.607 1.00 96.42 38 A 1 ATOM 303 C CA . PRO A 1 38 ? -12.083 -6.203 5.724 1.00 96.22 38 A 1 ATOM 304 C C . PRO A 1 38 ? -11.935 -5.352 6.994 1.00 96.67 38 A 1 ATOM 305 O O . PRO A 1 38 ? -11.237 -5.698 7.936 1.00 96.34 38 A 1 ATOM 306 C CB . PRO A 1 38 ? -13.394 -6.989 5.704 1.00 95.56 38 A 1 ATOM 307 C CG . PRO A 1 38 ? -13.004 -8.315 6.355 1.00 95.02 38 A 1 ATOM 308 C CD . PRO A 1 38 ? -11.582 -8.538 5.843 1.00 96.53 38 A 1 ATOM 309 N N . VAL A 1 39 ? -12.641 -4.232 7.051 1.00 96.28 39 A 1 ATOM 310 C CA . VAL A 1 39 ? -12.775 -3.452 8.293 1.00 96.33 39 A 1 ATOM 311 C C . VAL A 1 39 ? -13.498 -4.296 9.344 1.00 96.42 39 A 1 ATOM 312 O O . VAL A 1 39 ? -14.564 -4.843 9.068 1.00 95.18 39 A 1 ATOM 313 C CB . VAL A 1 39 ? -13.529 -2.131 8.050 1.00 95.73 39 A 1 ATOM 314 C CG1 . VAL A 1 39 ? -13.732 -1.331 9.346 1.00 92.12 39 A 1 ATOM 315 C CG2 . VAL A 1 39 ? -12.768 -1.226 7.067 1.00 91.49 39 A 1 ATOM 316 N N . GLY A 1 40 ? -12.936 -4.362 10.555 1.00 96.77 40 A 1 ATOM 317 C CA . GLY A 1 40 ? -13.485 -5.185 11.634 1.00 96.69 40 A 1 ATOM 318 C C . GLY A 1 40 ? -13.177 -6.682 11.494 1.00 97.26 40 A 1 ATOM 319 O O . GLY A 1 40 ? -13.949 -7.497 11.985 1.00 95.72 40 A 1 ATOM 320 N N . TYR A 1 41 ? -12.079 -7.010 10.819 1.00 96.94 41 A 1 ATOM 321 C CA . TYR A 1 41 ? -11.590 -8.377 10.651 1.00 97.18 41 A 1 ATOM 322 C C . TYR A 1 41 ? -11.397 -9.114 11.991 1.00 97.49 41 A 1 ATOM 323 O O . TYR A 1 41 ? -11.113 -8.513 13.028 1.00 96.97 41 A 1 ATOM 324 C CB . TYR A 1 41 ? -10.283 -8.355 9.845 1.00 97.03 41 A 1 ATOM 325 C CG . TYR A 1 41 ? -9.169 -7.487 10.409 1.00 97.33 41 A 1 ATOM 326 C CD1 . TYR A 1 41 ? -8.869 -6.250 9.804 1.00 94.65 41 A 1 ATOM 327 C CD2 . TYR A 1 41 ? -8.430 -7.898 11.535 1.00 95.15 41 A 1 ATOM 328 C CE1 . TYR A 1 41 ? -7.843 -5.435 10.319 1.00 93.98 41 A 1 ATOM 329 C CE2 . TYR A 1 41 ? -7.410 -7.082 12.058 1.00 94.24 41 A 1 ATOM 330 C CZ . TYR A 1 41 ? -7.112 -5.850 11.449 1.00 95.69 41 A 1 ATOM 331 O OH . TYR A 1 41 ? -6.118 -5.063 11.953 1.00 94.56 41 A 1 ATOM 332 N N . THR A 1 42 ? -11.518 -10.437 11.935 1.00 97.55 42 A 1 ATOM 333 C CA . THR A 1 42 ? -11.235 -11.364 13.037 1.00 97.60 42 A 1 ATOM 334 C C . THR A 1 42 ? -9.820 -11.943 12.919 1.00 97.75 42 A 1 ATOM 335 O O . THR A 1 42 ? -9.174 -11.820 11.879 1.00 97.81 42 A 1 ATOM 336 C CB . THR A 1 42 ? -12.268 -12.499 13.062 1.00 97.85 42 A 1 ATOM 337 O OG1 . THR A 1 42 ? -12.176 -13.295 11.904 1.00 97.31 42 A 1 ATOM 338 C CG2 . THR A 1 42 ? -13.710 -11.992 13.165 1.00 96.51 42 A 1 ATOM 339 N N . GLU A 1 43 ? -9.337 -12.628 13.961 1.00 97.71 43 A 1 ATOM 340 C CA . GLU A 1 43 ? -8.057 -13.361 13.905 1.00 97.65 43 A 1 ATOM 341 C C . GLU A 1 43 ? -8.037 -14.380 12.754 1.00 97.86 43 A 1 ATOM 342 O O . GLU A 1 43 ? -7.059 -14.465 12.022 1.00 97.56 43 A 1 ATOM 343 C CB . GLU A 1 43 ? -7.800 -14.081 15.240 1.00 97.20 43 A 1 ATOM 344 C CG . GLU A 1 43 ? -7.532 -13.095 16.391 1.00 88.84 43 A 1 ATOM 345 C CD . GLU A 1 43 ? -7.294 -13.778 17.751 1.00 83.98 43 A 1 ATOM 346 O OE1 . GLU A 1 43 ? -6.961 -13.038 18.708 1.00 76.33 43 A 1 ATOM 347 O OE2 . GLU A 1 43 ? -7.494 -15.008 17.861 1.00 78.95 43 A 1 ATOM 348 N N . LYS A 1 44 ? -9.150 -15.074 12.534 1.00 98.13 44 A 1 ATOM 349 C CA . LYS A 1 44 ? -9.283 -16.007 11.419 1.00 98.06 44 A 1 ATOM 350 C C . LYS A 1 44 ? -9.168 -15.319 10.055 1.00 98.24 44 A 1 ATOM 351 O O . LYS A 1 44 ? -8.535 -15.867 9.160 1.00 98.08 44 A 1 ATOM 352 C CB . LYS A 1 44 ? -10.605 -16.789 11.556 1.00 97.94 44 A 1 ATOM 353 C CG . LYS A 1 44 ? -10.754 -17.719 10.354 1.00 94.77 44 A 1 ATOM 354 C CD . LYS A 1 44 ? -11.807 -18.811 10.525 1.00 89.37 44 A 1 ATOM 355 C CE . LYS A 1 44 ? -11.949 -19.584 9.201 1.00 85.10 44 A 1 ATOM 356 N NZ . LYS A 1 44 ? -10.627 -19.916 8.580 1.00 75.67 44 A 1 ATOM 357 N N . ASP A 1 45 ? -9.752 -14.139 9.895 1.00 97.50 45 A 1 ATOM 358 C CA . ASP A 1 45 ? -9.625 -13.392 8.637 1.00 97.23 45 A 1 ATOM 359 C C . ASP A 1 45 ? -8.163 -13.008 8.369 1.00 97.56 45 A 1 ATOM 360 O O . ASP A 1 45 ? -7.731 -13.017 7.219 1.00 97.52 45 A 1 ATOM 361 C CB . ASP A 1 45 ? -10.485 -12.118 8.654 1.00 97.06 45 A 1 ATOM 362 C CG . ASP A 1 45 ? -11.985 -12.372 8.833 1.00 95.94 45 A 1 ATOM 363 O OD1 . ASP A 1 45 ? -12.563 -13.152 8.055 1.00 93.88 45 A 1 ATOM 364 O OD2 . ASP A 1 45 ? -12.551 -11.767 9.780 1.00 93.74 45 A 1 ATOM 365 N N . ILE A 1 46 ? -7.387 -12.692 9.417 1.00 97.64 46 A 1 ATOM 366 C CA . ILE A 1 46 ? -5.948 -12.414 9.305 1.00 97.68 46 A 1 ATOM 367 C C . ILE A 1 46 ? -5.199 -13.669 8.849 1.00 97.83 46 A 1 ATOM 368 O O . ILE A 1 46 ? -4.389 -13.589 7.925 1.00 97.74 46 A 1 ATOM 369 C CB . ILE A 1 46 ? -5.357 -11.890 10.638 1.00 97.46 46 A 1 ATOM 370 C CG1 . ILE A 1 46 ? -6.025 -10.570 11.076 1.00 94.87 46 A 1 ATOM 371 C CG2 . ILE A 1 46 ? -3.833 -11.691 10.522 1.00 95.25 46 A 1 ATOM 372 C CD1 . ILE A 1 46 ? -5.673 -10.147 12.512 1.00 91.49 46 A 1 ATOM 373 N N . GLU A 1 47 ? -5.451 -14.813 9.489 1.00 97.96 47 A 1 ATOM 374 C CA . GLU A 1 47 ? -4.819 -16.089 9.135 1.00 97.86 47 A 1 ATOM 375 C C . GLU A 1 47 ? -5.095 -16.450 7.669 1.00 97.85 47 A 1 ATOM 376 O O . GLU A 1 47 ? -4.153 -16.594 6.891 1.00 97.59 47 A 1 ATOM 377 C CB . GLU A 1 47 ? -5.307 -17.210 10.066 1.00 97.80 47 A 1 ATOM 378 C CG . GLU A 1 47 ? -4.757 -17.081 11.496 1.00 89.90 47 A 1 ATOM 379 C CD . GLU A 1 47 ? -5.303 -18.149 12.467 1.00 87.17 47 A 1 ATOM 380 O OE1 . GLU A 1 47 ? -4.817 -18.178 13.623 1.00 79.79 47 A 1 ATOM 381 O OE2 . GLU A 1 47 ? -6.190 -18.944 12.074 1.00 83.34 47 A 1 ATOM 382 N N . ASP A 1 48 ? -6.361 -16.483 7.281 1.00 97.99 48 A 1 ATOM 383 C CA . ASP A 1 48 ? -6.781 -16.825 5.917 1.00 97.66 48 A 1 ATOM 384 C C . ASP A 1 48 ? -6.180 -15.843 4.884 1.00 97.74 48 A 1 ATOM 385 O O . ASP A 1 48 ? -5.701 -16.249 3.820 1.00 97.34 48 A 1 ATOM 386 C CB . ASP A 1 48 ? -8.325 -16.816 5.831 1.00 97.46 48 A 1 ATOM 387 C CG . ASP A 1 48 ? -9.081 -17.922 6.606 1.00 95.01 48 A 1 ATOM 388 O OD1 . ASP A 1 48 ? -8.532 -18.964 7.017 1.00 92.81 48 A 1 ATOM 389 O OD2 . ASP A 1 48 ? -10.325 -17.803 6.770 1.00 92.51 48 A 1 ATOM 390 N N . PHE A 1 49 ? -6.143 -14.545 5.200 1.00 97.91 49 A 1 ATOM 391 C CA . PHE A 1 49 ? -5.558 -13.518 4.330 1.00 97.98 49 A 1 ATOM 392 C C . PHE A 1 49 ? -4.044 -13.699 4.161 1.00 98.12 49 A 1 ATOM 393 O O . PHE A 1 49 ? -3.529 -13.649 3.044 1.00 97.97 49 A 1 ATOM 394 C CB . PHE A 1 49 ? -5.896 -12.133 4.897 1.00 98.03 49 A 1 ATOM 395 C CG . PHE A 1 49 ? -5.275 -10.986 4.129 1.00 98.25 49 A 1 ATOM 396 C CD1 . PHE A 1 49 ? -4.080 -10.395 4.581 1.00 97.49 49 A 1 ATOM 397 C CD2 . PHE A 1 49 ? -5.879 -10.525 2.947 1.00 97.75 49 A 1 ATOM 398 C CE1 . PHE A 1 49 ? -3.492 -9.354 3.846 1.00 97.45 49 A 1 ATOM 399 C CE2 . PHE A 1 49 ? -5.292 -9.485 2.214 1.00 97.53 49 A 1 ATOM 400 C CZ . PHE A 1 49 ? -4.095 -8.900 2.660 1.00 97.86 49 A 1 ATOM 401 N N . LEU A 1 50 ? -3.318 -13.930 5.262 1.00 98.13 50 A 1 ATOM 402 C CA . LEU A 1 50 ? -1.866 -14.119 5.219 1.00 98.10 50 A 1 ATOM 403 C C . LEU A 1 50 ? -1.465 -15.442 4.561 1.00 98.12 50 A 1 ATOM 404 O O . LEU A 1 50 ? -0.405 -15.500 3.941 1.00 97.95 50 A 1 ATOM 405 C CB . LEU A 1 50 ? -1.291 -14.036 6.639 1.00 98.01 50 A 1 ATOM 406 C CG . LEU A 1 50 ? -1.295 -12.633 7.276 1.00 97.28 50 A 1 ATOM 407 C CD1 . LEU A 1 50 ? -0.732 -12.741 8.697 1.00 96.26 50 A 1 ATOM 408 C CD2 . LEU A 1 50 ? -0.433 -11.632 6.501 1.00 96.25 50 A 1 ATOM 409 N N . ASP A 1 51 ? -2.272 -16.490 4.683 1.00 98.34 51 A 1 ATOM 410 C CA . ASP A 1 51 ? -2.031 -17.774 4.021 1.00 98.24 51 A 1 ATOM 411 C C . ASP A 1 51 ? -2.193 -17.662 2.502 1.00 98.12 51 A 1 ATOM 412 O O . ASP A 1 51 ? -1.366 -18.190 1.761 1.00 97.44 51 A 1 ATOM 413 C CB . ASP A 1 51 ? -2.942 -18.851 4.621 1.00 98.03 51 A 1 ATOM 414 C CG . ASP A 1 51 ? -2.479 -19.339 6.007 1.00 94.51 51 A 1 ATOM 415 O OD1 . ASP A 1 51 ? -1.373 -18.928 6.463 1.00 90.58 51 A 1 ATOM 416 O OD2 . ASP A 1 51 ? -3.201 -20.193 6.569 1.00 90.89 51 A 1 ATOM 417 N N . ASN A 1 52 ? -3.163 -16.885 2.033 1.00 98.03 52 A 1 ATOM 418 C CA . ASN A 1 52 ? -3.311 -16.580 0.607 1.00 97.62 52 A 1 ATOM 419 C C . ASN A 1 52 ? -2.137 -15.763 0.037 1.00 97.60 52 A 1 ATOM 420 O O . ASN A 1 52 ? -1.859 -15.843 -1.158 1.00 96.68 52 A 1 ATOM 421 C CB . ASN A 1 52 ? -4.634 -15.831 0.395 1.00 97.09 52 A 1 ATOM 422 C CG . ASN A 1 52 ? -5.850 -16.725 0.547 1.00 95.33 52 A 1 ATOM 423 O OD1 . ASN A 1 52 ? -5.908 -17.842 0.071 1.00 89.08 52 A 1 ATOM 424 N ND2 . ASN A 1 52 ? -6.893 -16.251 1.183 1.00 88.30 52 A 1 ATOM 425 N N . LEU A 1 53 ? -1.439 -14.991 0.872 1.00 97.66 53 A 1 ATOM 426 C CA . LEU A 1 53 ? -0.257 -14.220 0.467 1.00 97.58 53 A 1 ATOM 427 C C . LEU A 1 53 ? 1.062 -14.997 0.579 1.00 97.75 53 A 1 ATOM 428 O O . LEU A 1 53 ? 2.110 -14.447 0.231 1.00 97.20 53 A 1 ATOM 429 C CB . LEU A 1 53 ? -0.193 -12.910 1.266 1.00 97.06 53 A 1 ATOM 430 C CG . LEU A 1 53 ? -1.304 -11.901 0.940 1.00 94.93 53 A 1 ATOM 431 C CD1 . LEU A 1 53 ? -1.083 -10.665 1.813 1.00 92.33 53 A 1 ATOM 432 C CD2 . LEU A 1 53 ? -1.299 -11.459 -0.523 1.00 92.32 53 A 1 ATOM 433 N N . ASP A 1 54 ? 1.058 -16.245 1.067 1.00 98.00 54 A 1 ATOM 434 C CA . ASP A 1 54 ? 2.287 -17.023 1.275 1.00 98.08 54 A 1 ATOM 435 C C . ASP A 1 54 ? 2.820 -17.662 -0.022 1.00 97.91 54 A 1 ATOM 436 O O . ASP A 1 54 ? 2.968 -18.873 -0.164 1.00 97.09 54 A 1 ATOM 437 C CB . ASP A 1 54 ? 2.126 -18.009 2.440 1.00 97.89 54 A 1 ATOM 438 C CG . ASP A 1 54 ? 3.487 -18.487 2.980 1.00 97.40 54 A 1 ATOM 439 O OD1 . ASP A 1 54 ? 4.531 -17.897 2.600 1.00 95.44 54 A 1 ATOM 440 O OD2 . ASP A 1 54 ? 3.490 -19.368 3.864 1.00 94.82 54 A 1 ATOM 441 N N . PHE A 1 55 ? 3.132 -16.812 -0.999 1.00 97.64 55 A 1 ATOM 442 C CA . PHE A 1 55 ? 3.717 -17.213 -2.275 1.00 97.22 55 A 1 ATOM 443 C C . PHE A 1 55 ? 4.879 -16.301 -2.676 1.00 97.40 55 A 1 ATOM 444 O O . PHE A 1 55 ? 4.992 -15.154 -2.241 1.00 97.00 55 A 1 ATOM 445 C CB . PHE A 1 55 ? 2.640 -17.262 -3.367 1.00 96.71 55 A 1 ATOM 446 C CG . PHE A 1 55 ? 2.016 -15.916 -3.691 1.00 96.92 55 A 1 ATOM 447 C CD1 . PHE A 1 55 ? 0.846 -15.504 -3.020 1.00 95.83 55 A 1 ATOM 448 C CD2 . PHE A 1 55 ? 2.604 -15.066 -4.644 1.00 95.97 55 A 1 ATOM 449 C CE1 . PHE A 1 55 ? 0.280 -14.251 -3.296 1.00 94.87 55 A 1 ATOM 450 C CE2 . PHE A 1 55 ? 2.035 -13.808 -4.916 1.00 95.27 55 A 1 ATOM 451 C CZ . PHE A 1 55 ? 0.874 -13.400 -4.242 1.00 95.25 55 A 1 ATOM 452 N N . LYS A 1 56 ? 5.752 -16.821 -3.543 1.00 96.55 56 A 1 ATOM 453 C CA . LYS A 1 56 ? 6.864 -16.051 -4.114 1.00 96.11 56 A 1 ATOM 454 C C . LYS A 1 56 ? 6.503 -15.509 -5.486 1.00 95.62 56 A 1 ATOM 455 O O . LYS A 1 56 ? 5.962 -16.236 -6.314 1.00 94.60 56 A 1 ATOM 456 C CB . LYS A 1 56 ? 8.148 -16.882 -4.174 1.00 95.78 56 A 1 ATOM 457 C CG . LYS A 1 56 ? 8.671 -17.178 -2.763 1.00 92.46 56 A 1 ATOM 458 C CD . LYS A 1 56 ? 10.003 -17.934 -2.809 1.00 87.09 56 A 1 ATOM 459 C CE . LYS A 1 56 ? 10.445 -18.173 -1.365 1.00 81.08 56 A 1 ATOM 460 N NZ . LYS A 1 56 ? 11.738 -18.883 -1.278 1.00 71.63 56 A 1 ATOM 461 N N . TYR A 1 57 ? 6.924 -14.281 -5.750 1.00 93.58 57 A 1 ATOM 462 C CA . TYR A 1 57 ? 6.767 -13.637 -7.049 1.00 93.11 57 A 1 ATOM 463 C C . TYR A 1 57 ? 8.036 -12.864 -7.448 1.00 92.72 57 A 1 ATOM 464 O O . TYR A 1 57 ? 8.960 -12.686 -6.645 1.00 91.76 57 A 1 ATOM 465 C CB . TYR A 1 57 ? 5.495 -12.774 -7.035 1.00 92.65 57 A 1 ATOM 466 C CG . TYR A 1 57 ? 5.644 -11.437 -6.346 1.00 92.91 57 A 1 ATOM 467 C CD1 . TYR A 1 57 ? 5.729 -11.332 -4.939 1.00 91.99 57 A 1 ATOM 468 C CD2 . TYR A 1 57 ? 5.710 -10.282 -7.140 1.00 92.36 57 A 1 ATOM 469 C CE1 . TYR A 1 57 ? 5.889 -10.075 -4.337 1.00 91.05 57 A 1 ATOM 470 C CE2 . TYR A 1 57 ? 5.870 -9.026 -6.542 1.00 91.27 57 A 1 ATOM 471 C CZ . TYR A 1 57 ? 5.967 -8.917 -5.143 1.00 91.10 57 A 1 ATOM 472 O OH . TYR A 1 57 ? 6.149 -7.694 -4.596 1.00 89.43 57 A 1 ATOM 473 N N . ASP A 1 58 ? 8.125 -12.481 -8.717 1.00 90.68 58 A 1 ATOM 474 C CA . ASP A 1 58 ? 9.210 -11.637 -9.215 1.00 89.40 58 A 1 ATOM 475 C C . ASP A 1 58 ? 8.810 -10.162 -9.095 1.00 88.67 58 A 1 ATOM 476 O O . ASP A 1 58 ? 7.968 -9.682 -9.846 1.00 84.61 58 A 1 ATOM 477 C CB . ASP A 1 58 ? 9.607 -12.019 -10.648 1.00 86.70 58 A 1 ATOM 478 C CG . ASP A 1 58 ? 11.003 -11.493 -10.998 1.00 79.31 58 A 1 ATOM 479 O OD1 . ASP A 1 58 ? 11.431 -10.486 -10.389 1.00 75.21 58 A 1 ATOM 480 O OD2 . ASP A 1 58 ? 11.690 -12.184 -11.790 1.00 74.96 58 A 1 ATOM 481 N N . SER A 1 59 ? 9.426 -9.470 -8.137 1.00 88.19 59 A 1 ATOM 482 C CA . SER A 1 59 ? 9.171 -8.052 -7.861 1.00 86.63 59 A 1 ATOM 483 C C . SER A 1 59 ? 10.129 -7.108 -8.595 1.00 85.51 59 A 1 ATOM 484 O O . SER A 1 59 ? 10.304 -5.971 -8.162 1.00 81.09 59 A 1 ATOM 485 C CB . SER A 1 59 ? 9.243 -7.812 -6.345 1.00 85.63 59 A 1 ATOM 486 O OG . SER A 1 59 ? 10.583 -7.976 -5.893 1.00 82.75 59 A 1 ATOM 487 N N . GLY A 1 60 ? 10.844 -7.583 -9.607 1.00 82.65 60 A 1 ATOM 488 C CA . GLY A 1 60 ? 11.944 -6.824 -10.209 1.00 78.92 60 A 1 ATOM 489 C C . GLY A 1 60 ? 12.015 -6.845 -11.732 1.00 78.57 60 A 1 ATOM 490 O O . GLY A 1 60 ? 12.904 -6.201 -12.292 1.00 72.02 60 A 1 ATOM 491 N N . PHE A 1 61 ? 11.149 -7.606 -12.411 1.00 75.91 61 A 1 ATOM 492 C CA . PHE A 1 61 ? 11.186 -7.705 -13.865 1.00 74.42 61 A 1 ATOM 493 C C . PHE A 1 61 ? 9.820 -8.043 -14.476 1.00 75.91 61 A 1 ATOM 494 O O . PHE A 1 61 ? 9.110 -8.920 -13.983 1.00 70.38 61 A 1 ATOM 495 C CB . PHE A 1 61 ? 12.232 -8.759 -14.276 1.00 68.12 61 A 1 ATOM 496 C CG . PHE A 1 61 ? 12.475 -8.823 -15.772 1.00 61.86 61 A 1 ATOM 497 C CD1 . PHE A 1 61 ? 11.847 -9.808 -16.557 1.00 58.31 61 A 1 ATOM 498 C CD2 . PHE A 1 61 ? 13.298 -7.864 -16.393 1.00 55.08 61 A 1 ATOM 499 C CE1 . PHE A 1 61 ? 12.038 -9.834 -17.949 1.00 49.19 61 A 1 ATOM 500 C CE2 . PHE A 1 61 ? 13.489 -7.888 -17.790 1.00 50.23 61 A 1 ATOM 501 C CZ . PHE A 1 61 ? 12.858 -8.873 -18.567 1.00 47.91 61 A 1 ATOM 502 N N . GLY A 1 62 ? 9.498 -7.426 -15.607 1.00 79.66 62 A 1 ATOM 503 C CA . GLY A 1 62 ? 8.368 -7.819 -16.457 1.00 79.37 62 A 1 ATOM 504 C C . GLY A 1 62 ? 7.052 -7.072 -16.219 1.00 81.58 62 A 1 ATOM 505 O O . GLY A 1 62 ? 6.073 -7.384 -16.896 1.00 77.20 62 A 1 ATOM 506 N N . GLY A 1 63 ? 7.037 -6.091 -15.334 1.00 84.49 63 A 1 ATOM 507 C CA . GLY A 1 63 ? 5.857 -5.278 -15.002 1.00 86.12 63 A 1 ATOM 508 C C . GLY A 1 63 ? 5.254 -5.638 -13.646 1.00 88.99 63 A 1 ATOM 509 O O . GLY A 1 63 ? 5.525 -6.705 -13.096 1.00 87.38 63 A 1 ATOM 510 N N . GLN A 1 64 ? 4.425 -4.747 -13.124 1.00 89.13 64 A 1 ATOM 511 C CA . GLN A 1 64 ? 3.827 -4.888 -11.797 1.00 90.89 64 A 1 ATOM 512 C C . GLN A 1 64 ? 2.923 -6.123 -11.708 1.00 91.18 64 A 1 ATOM 513 O O . GLN A 1 64 ? 2.016 -6.302 -12.526 1.00 90.27 64 A 1 ATOM 514 C CB . GLN A 1 64 ? 3.062 -3.606 -11.448 1.00 90.22 64 A 1 ATOM 515 C CG . GLN A 1 64 ? 2.572 -3.609 -9.997 1.00 89.81 64 A 1 ATOM 516 C CD . GLN A 1 64 ? 1.993 -2.278 -9.540 1.00 89.14 64 A 1 ATOM 517 O OE1 . GLN A 1 64 ? 1.766 -1.348 -10.299 1.00 85.96 64 A 1 ATOM 518 N NE2 . GLN A 1 64 ? 1.725 -2.131 -8.259 1.00 84.25 64 A 1 ATOM 519 N N . LEU A 1 65 ? 3.158 -6.930 -10.680 1.00 91.46 65 A 1 ATOM 520 C CA . LEU A 1 65 ? 2.376 -8.132 -10.376 1.00 92.00 65 A 1 ATOM 521 C C . LEU A 1 65 ? 1.505 -7.963 -9.138 1.00 93.33 65 A 1 ATOM 522 O O . LEU A 1 65 ? 0.364 -8.425 -9.135 1.00 92.78 65 A 1 ATOM 523 C CB . LEU A 1 65 ? 3.334 -9.315 -10.190 1.00 90.33 65 A 1 ATOM 524 C CG . LEU A 1 65 ? 3.866 -9.902 -11.503 1.00 86.74 65 A 1 ATOM 525 C CD1 . LEU A 1 65 ? 4.925 -10.963 -11.204 1.00 82.33 65 A 1 ATOM 526 C CD2 . LEU A 1 65 ? 2.736 -10.574 -12.288 1.00 81.38 65 A 1 ATOM 527 N N . LEU A 1 66 ? 2.028 -7.323 -8.095 1.00 92.84 66 A 1 ATOM 528 C CA . LEU A 1 66 ? 1.328 -7.127 -6.831 1.00 93.94 66 A 1 ATOM 529 C C . LEU A 1 66 ? 0.843 -5.676 -6.723 1.00 94.23 66 A 1 ATOM 530 O O . LEU A 1 66 ? 1.618 -4.725 -6.778 1.00 93.46 66 A 1 ATOM 531 C CB . LEU A 1 66 ? 2.251 -7.546 -5.671 1.00 94.03 66 A 1 ATOM 532 C CG . LEU A 1 66 ? 1.504 -7.840 -4.361 1.00 92.52 66 A 1 ATOM 533 C CD1 . LEU A 1 66 ? 0.762 -9.177 -4.419 1.00 89.03 66 A 1 ATOM 534 C CD2 . LEU A 1 66 ? 2.483 -7.920 -3.194 1.00 89.15 66 A 1 ATOM 535 N N . TYR A 1 67 ? -0.449 -5.513 -6.545 1.00 95.04 67 A 1 ATOM 536 C CA . TYR A 1 67 ? -1.113 -4.223 -6.390 1.00 95.32 67 A 1 ATOM 537 C C . TYR A 1 67 ? -1.793 -4.181 -5.028 1.00 96.16 67 A 1 ATOM 538 O O . TYR A 1 67 ? -2.156 -5.222 -4.481 1.00 95.67 67 A 1 ATOM 539 C CB . TYR A 1 67 ? -2.159 -4.027 -7.499 1.00 94.37 67 A 1 ATOM 540 C CG . TYR A 1 67 ? -1.629 -4.150 -8.915 1.00 93.65 67 A 1 ATOM 541 C CD1 . TYR A 1 67 ? -1.334 -2.993 -9.664 1.00 91.00 67 A 1 ATOM 542 C CD2 . TYR A 1 67 ? -1.428 -5.426 -9.480 1.00 91.19 67 A 1 ATOM 543 C CE1 . TYR A 1 67 ? -0.832 -3.112 -10.974 1.00 89.61 67 A 1 ATOM 544 C CE2 . TYR A 1 67 ? -0.915 -5.548 -10.787 1.00 89.88 67 A 1 ATOM 545 C CZ . TYR A 1 67 ? -0.618 -4.391 -11.533 1.00 90.25 67 A 1 ATOM 546 O OH . TYR A 1 67 ? -0.116 -4.509 -12.792 1.00 88.05 67 A 1 ATOM 547 N N . GLY A 1 68 ? -2.042 -3.004 -4.507 1.00 95.63 68 A 1 ATOM 548 C CA . GLY A 1 68 ? -2.914 -2.911 -3.342 1.00 95.92 68 A 1 ATOM 549 C C . GLY A 1 68 ? -2.623 -1.751 -2.422 1.00 96.88 68 A 1 ATOM 550 O O . GLY A 1 68 ? -1.710 -0.953 -2.645 1.00 95.85 68 A 1 ATOM 551 N N . ASN A 1 69 ? -3.445 -1.683 -1.385 1.00 96.44 69 A 1 ATOM 552 C CA . ASN A 1 69 ? -3.321 -0.698 -0.326 1.00 97.00 69 A 1 ATOM 553 C C . ASN A 1 69 ? -3.561 -1.345 1.040 1.00 97.58 69 A 1 ATOM 554 O O . ASN A 1 69 ? -4.378 -2.263 1.183 1.00 96.64 69 A 1 ATOM 555 C CB . ASN A 1 69 ? -4.300 0.464 -0.549 1.00 95.36 69 A 1 ATOM 556 C CG . ASN A 1 69 ? -4.117 1.171 -1.880 1.00 91.45 69 A 1 ATOM 557 O OD1 . ASN A 1 69 ? -3.177 1.897 -2.111 1.00 81.93 69 A 1 ATOM 558 N ND2 . ASN A 1 69 ? -5.019 0.993 -2.818 1.00 81.59 69 A 1 ATOM 559 N N . VAL A 1 70 ? -2.882 -0.810 2.031 1.00 96.27 70 A 1 ATOM 560 C CA . VAL A 1 70 ? -3.149 -1.024 3.452 1.00 96.58 70 A 1 ATOM 561 C C . VAL A 1 70 ? -3.620 0.303 4.024 1.00 96.70 70 A 1 ATOM 562 O O . VAL A 1 70 ? -2.872 1.275 3.983 1.00 96.21 70 A 1 ATOM 563 C CB . VAL A 1 70 ? -1.886 -1.475 4.198 1.00 96.61 70 A 1 ATOM 564 C CG1 . VAL A 1 70 ? -2.187 -1.707 5.682 1.00 95.06 70 A 1 ATOM 565 C CG2 . VAL A 1 70 ? -1.274 -2.739 3.591 1.00 94.38 70 A 1 ATOM 566 N N . TRP A 1 71 ? -4.823 0.353 4.557 1.00 96.63 71 A 1 ATOM 567 C CA . TRP A 1 71 ? -5.337 1.540 5.239 1.00 96.48 71 A 1 ATOM 568 C C . TRP A 1 71 ? -5.128 1.403 6.742 1.00 96.59 71 A 1 ATOM 569 O O . TRP A 1 71 ? -5.439 0.359 7.321 1.00 95.89 71 A 1 ATOM 570 C CB . TRP A 1 71 ? -6.812 1.755 4.901 1.00 95.58 71 A 1 ATOM 571 C CG . TRP A 1 71 ? -7.082 2.066 3.463 1.00 95.50 71 A 1 ATOM 572 C CD1 . TRP A 1 71 ? -7.201 3.309 2.940 1.00 93.11 71 A 1 ATOM 573 C CD2 . TRP A 1 71 ? -7.264 1.140 2.350 1.00 95.49 71 A 1 ATOM 574 N NE1 . TRP A 1 71 ? -7.450 3.214 1.582 1.00 91.42 71 A 1 ATOM 575 C CE2 . TRP A 1 71 ? -7.501 1.901 1.167 1.00 93.78 71 A 1 ATOM 576 C CE3 . TRP A 1 71 ? -7.255 -0.263 2.219 1.00 93.42 71 A 1 ATOM 577 C CZ2 . TRP A 1 71 ? -7.728 1.297 -0.082 1.00 91.96 71 A 1 ATOM 578 C CZ3 . TRP A 1 71 ? -7.474 -0.876 0.969 1.00 92.71 71 A 1 ATOM 579 C CH2 . TRP A 1 71 ? -7.714 -0.100 -0.176 1.00 91.46 71 A 1 ATOM 580 N N . PHE A 1 72 ? -4.637 2.477 7.361 1.00 96.35 72 A 1 ATOM 581 C CA . PHE A 1 72 ? -4.454 2.554 8.802 1.00 96.12 72 A 1 ATOM 582 C C . PHE A 1 72 ? -5.573 3.359 9.475 1.00 95.81 72 A 1 ATOM 583 O O . PHE A 1 72 ? -6.307 4.122 8.846 1.00 95.47 72 A 1 ATOM 584 C CB . PHE A 1 72 ? -3.061 3.106 9.105 1.00 96.17 72 A 1 ATOM 585 C CG . PHE A 1 72 ? -1.922 2.289 8.522 1.00 96.67 72 A 1 ATOM 586 C CD1 . PHE A 1 72 ? -1.653 1.000 9.015 1.00 94.95 72 A 1 ATOM 587 C CD2 . PHE A 1 72 ? -1.129 2.817 7.490 1.00 95.25 72 A 1 ATOM 588 C CE1 . PHE A 1 72 ? -0.591 0.244 8.478 1.00 94.79 72 A 1 ATOM 589 C CE2 . PHE A 1 72 ? -0.067 2.064 6.957 1.00 94.91 72 A 1 ATOM 590 C CZ . PHE A 1 72 ? 0.202 0.777 7.454 1.00 95.97 72 A 1 ATOM 591 N N . THR A 1 73 ? -5.716 3.162 10.784 1.00 96.36 73 A 1 ATOM 592 C CA . THR A 1 73 ? -6.761 3.831 11.577 1.00 96.08 73 A 1 ATOM 593 C C . THR A 1 73 ? -6.537 5.337 11.722 1.00 95.50 73 A 1 ATOM 594 O O . THR A 1 73 ? -7.509 6.074 11.891 1.00 94.02 73 A 1 ATOM 595 C CB . THR A 1 73 ? -6.873 3.207 12.976 1.00 95.75 73 A 1 ATOM 596 O OG1 . THR A 1 73 ? -5.614 3.191 13.592 1.00 91.01 73 A 1 ATOM 597 C CG2 . THR A 1 73 ? -7.396 1.770 12.917 1.00 88.42 73 A 1 ATOM 598 N N . ASP A 1 74 ? -5.293 5.796 11.603 1.00 95.51 74 A 1 ATOM 599 C CA . ASP A 1 74 ? -4.908 7.212 11.690 1.00 94.76 74 A 1 ATOM 600 C C . ASP A 1 74 ? -5.081 7.993 10.373 1.00 94.92 74 A 1 ATOM 601 O O . ASP A 1 74 ? -4.800 9.189 10.316 1.00 93.54 74 A 1 ATOM 602 C CB . ASP A 1 74 ? -3.471 7.311 12.229 1.00 93.81 74 A 1 ATOM 603 C CG . ASP A 1 74 ? -2.406 6.753 11.282 1.00 93.73 74 A 1 ATOM 604 O OD1 . ASP A 1 74 ? -2.746 6.287 10.171 1.00 92.00 74 A 1 ATOM 605 O OD2 . ASP A 1 74 ? -1.227 6.755 11.684 1.00 90.83 74 A 1 ATOM 606 N N . GLY A 1 75 ? -5.557 7.331 9.310 1.00 93.85 75 A 1 ATOM 607 C CA . GLY A 1 75 ? -5.767 7.938 7.993 1.00 93.36 75 A 1 ATOM 608 C C . GLY A 1 75 ? -4.546 7.923 7.074 1.00 94.30 75 A 1 ATOM 609 O O . GLY A 1 75 ? -4.642 8.407 5.944 1.00 93.24 75 A 1 ATOM 610 N N . THR A 1 76 ? -3.419 7.356 7.513 1.00 95.45 76 A 1 ATOM 611 C CA . THR A 1 76 ? -2.273 7.041 6.650 1.00 96.01 76 A 1 ATOM 612 C C . THR A 1 76 ? -2.505 5.720 5.908 1.00 96.81 76 A 1 ATOM 613 O O . THR A 1 76 ? -3.444 4.977 6.215 1.00 96.77 76 A 1 ATOM 614 C CB . THR A 1 76 ? -0.961 7.022 7.441 1.00 95.46 76 A 1 ATOM 615 O OG1 . THR A 1 76 ? -0.905 5.940 8.331 1.00 93.71 76 A 1 ATOM 616 C CG2 . THR A 1 76 ? -0.746 8.305 8.244 1.00 92.94 76 A 1 ATOM 617 N N . TRP A 1 77 ? -1.672 5.416 4.914 1.00 96.45 77 A 1 ATOM 618 C CA . TRP A 1 77 ? -1.760 4.153 4.179 1.00 96.82 77 A 1 ATOM 619 C C . TRP A 1 77 ? -0.412 3.710 3.609 1.00 96.82 77 A 1 ATOM 620 O O . TRP A 1 77 ? 0.507 4.504 3.461 1.00 96.11 77 A 1 ATOM 621 C CB . TRP A 1 77 ? -2.832 4.247 3.079 1.00 95.91 77 A 1 ATOM 622 C CG . TRP A 1 77 ? -2.530 5.119 1.892 1.00 95.18 77 A 1 ATOM 623 C CD1 . TRP A 1 77 ? -2.129 4.684 0.681 1.00 92.75 77 A 1 ATOM 624 C CD2 . TRP A 1 77 ? -2.623 6.571 1.777 1.00 93.93 77 A 1 ATOM 625 N NE1 . TRP A 1 77 ? -1.965 5.755 -0.178 1.00 90.25 77 A 1 ATOM 626 C CE2 . TRP A 1 77 ? -2.254 6.945 0.449 1.00 92.15 77 A 1 ATOM 627 C CE3 . TRP A 1 77 ? -2.981 7.614 2.654 1.00 89.41 77 A 1 ATOM 628 C CZ2 . TRP A 1 77 ? -2.227 8.281 0.015 1.00 89.36 77 A 1 ATOM 629 C CZ3 . TRP A 1 77 ? -2.957 8.959 2.230 1.00 88.90 77 A 1 ATOM 630 C CH2 . TRP A 1 77 ? -2.578 9.294 0.923 1.00 87.80 77 A 1 ATOM 631 N N . LEU A 1 78 ? -0.301 2.409 3.274 1.00 96.83 78 A 1 ATOM 632 C CA . LEU A 1 78 ? 0.692 1.894 2.338 1.00 96.79 78 A 1 ATOM 633 C C . LEU A 1 78 ? 0.017 1.686 0.988 1.00 96.96 78 A 1 ATOM 634 O O . LEU A 1 78 ? -1.103 1.178 0.936 1.00 96.42 78 A 1 ATOM 635 C CB . LEU A 1 78 ? 1.301 0.567 2.821 1.00 96.45 78 A 1 ATOM 636 C CG . LEU A 1 78 ? 2.098 0.643 4.128 1.00 95.06 78 A 1 ATOM 637 C CD1 . LEU A 1 78 ? 2.352 -0.764 4.668 1.00 92.22 78 A 1 ATOM 638 C CD2 . LEU A 1 78 ? 3.451 1.315 3.922 1.00 92.08 78 A 1 ATOM 639 N N . GLU A 1 79 ? 0.718 1.996 -0.087 1.00 96.39 79 A 1 ATOM 640 C CA . GLU A 1 79 ? 0.324 1.617 -1.445 1.00 95.83 79 A 1 ATOM 641 C C . GLU A 1 79 ? 1.477 0.922 -2.171 1.00 96.16 79 A 1 ATOM 642 O O . GLU A 1 79 ? 2.642 1.060 -1.799 1.00 94.90 79 A 1 ATOM 643 C CB . GLU A 1 79 ? -0.231 2.817 -2.224 1.00 91.93 79 A 1 ATOM 644 C CG . GLU A 1 79 ? 0.800 3.894 -2.583 1.00 86.50 79 A 1 ATOM 645 C CD . GLU A 1 79 ? 0.182 5.130 -3.264 1.00 87.34 79 A 1 ATOM 646 O OE1 . GLU A 1 79 ? 0.951 5.920 -3.856 1.00 78.52 79 A 1 ATOM 647 O OE2 . GLU A 1 79 ? -1.043 5.348 -3.121 1.00 80.44 79 A 1 ATOM 648 N N . ARG A 1 80 ? 1.147 0.142 -3.206 1.00 95.10 80 A 1 ATOM 649 C CA . ARG A 1 80 ? 2.160 -0.486 -4.060 1.00 94.89 80 A 1 ATOM 650 C C . ARG A 1 80 ? 2.692 0.528 -5.061 1.00 94.75 80 A 1 ATOM 651 O O . ARG A 1 80 ? 1.941 1.013 -5.911 1.00 93.09 80 A 1 ATOM 652 C CB . ARG A 1 80 ? 1.580 -1.715 -4.774 1.00 93.47 80 A 1 ATOM 653 C CG . ARG A 1 80 ? 1.267 -2.878 -3.832 1.00 88.03 80 A 1 ATOM 654 C CD . ARG A 1 80 ? 2.510 -3.464 -3.170 1.00 87.69 80 A 1 ATOM 655 N NE . ARG A 1 80 ? 3.422 -4.111 -4.146 1.00 87.25 80 A 1 ATOM 656 C CZ . ARG A 1 80 ? 4.592 -4.653 -3.840 1.00 89.32 80 A 1 ATOM 657 N NH1 . ARG A 1 80 ? 5.081 -4.610 -2.643 1.00 79.54 80 A 1 ATOM 658 N NH2 . ARG A 1 80 ? 5.300 -5.273 -4.726 1.00 80.86 80 A 1 ATOM 659 N N . GLY A 1 81 ? 3.991 0.801 -4.982 1.00 94.70 81 A 1 ATOM 660 C CA . GLY A 1 81 ? 4.743 1.504 -6.011 1.00 93.64 81 A 1 ATOM 661 C C . GLY A 1 81 ? 5.322 0.530 -7.031 1.00 93.89 81 A 1 ATOM 662 O O . GLY A 1 81 ? 5.625 -0.616 -6.699 1.00 92.54 81 A 1 ATOM 663 N N . GLU A 1 82 ? 5.500 1.018 -8.260 1.00 92.60 82 A 1 ATOM 664 C CA . GLU A 1 82 ? 6.156 0.283 -9.341 1.00 92.35 82 A 1 ATOM 665 C C . GLU A 1 82 ? 6.934 1.249 -10.226 1.00 92.01 82 A 1 ATOM 666 O O . GLU A 1 82 ? 6.472 2.357 -10.511 1.00 90.20 82 A 1 ATOM 667 C CB . GLU A 1 82 ? 5.111 -0.519 -10.137 1.00 90.28 82 A 1 ATOM 668 C CG . GLU A 1 82 ? 5.712 -1.423 -11.229 1.00 86.37 82 A 1 ATOM 669 C CD . GLU A 1 82 ? 5.999 -0.716 -12.565 1.00 85.14 82 A 1 ATOM 670 O OE1 . GLU A 1 82 ? 6.978 -1.106 -13.242 1.00 76.28 82 A 1 ATOM 671 O OE2 . GLU A 1 82 ? 5.229 0.189 -12.937 1.00 77.08 82 A 1 ATOM 672 N N . TYR A 1 83 ? 8.122 0.829 -10.668 1.00 90.60 83 A 1 ATOM 673 C CA . TYR A 1 83 ? 8.896 1.495 -11.703 1.00 90.35 83 A 1 ATOM 674 C C . TYR A 1 83 ? 9.708 0.467 -12.490 1.00 89.78 83 A 1 ATOM 675 O O . TYR A 1 83 ? 10.581 -0.197 -11.929 1.00 87.00 83 A 1 ATOM 676 C CB . TYR A 1 83 ? 9.808 2.561 -11.091 1.00 89.24 83 A 1 ATOM 677 C CG . TYR A 1 83 ? 10.584 3.345 -12.128 1.00 87.88 83 A 1 ATOM 678 C CD1 . TYR A 1 83 ? 11.894 2.964 -12.475 1.00 84.78 83 A 1 ATOM 679 C CD2 . TYR A 1 83 ? 9.976 4.435 -12.785 1.00 84.67 83 A 1 ATOM 680 C CE1 . TYR A 1 83 ? 12.598 3.671 -13.469 1.00 82.46 83 A 1 ATOM 681 C CE2 . TYR A 1 83 ? 10.677 5.145 -13.780 1.00 82.20 83 A 1 ATOM 682 C CZ . TYR A 1 83 ? 11.988 4.761 -14.123 1.00 81.79 83 A 1 ATOM 683 O OH . TYR A 1 83 ? 12.667 5.439 -15.087 1.00 79.36 83 A 1 ATOM 684 N N . ASP A 1 84 ? 9.429 0.346 -13.791 1.00 87.49 84 A 1 ATOM 685 C CA . ASP A 1 84 ? 10.102 -0.581 -14.713 1.00 86.85 84 A 1 ATOM 686 C C . ASP A 1 84 ? 10.128 -2.044 -14.203 1.00 86.15 84 A 1 ATOM 687 O O . ASP A 1 84 ? 11.137 -2.742 -14.247 1.00 81.31 84 A 1 ATOM 688 C CB . ASP A 1 84 ? 11.482 -0.014 -15.101 1.00 84.83 84 A 1 ATOM 689 C CG . ASP A 1 84 ? 12.066 -0.625 -16.379 1.00 79.81 84 A 1 ATOM 690 O OD1 . ASP A 1 84 ? 11.267 -0.996 -17.271 1.00 77.26 84 A 1 ATOM 691 O OD2 . ASP A 1 84 ? 13.315 -0.613 -16.517 1.00 76.08 84 A 1 ATOM 692 N N . GLY A 1 85 ? 8.992 -2.487 -13.664 1.00 84.76 85 A 1 ATOM 693 C CA . GLY A 1 85 ? 8.813 -3.823 -13.084 1.00 84.05 85 A 1 ATOM 694 C C . GLY A 1 85 ? 9.290 -3.975 -11.641 1.00 86.58 85 A 1 ATOM 695 O O . GLY A 1 85 ? 8.972 -4.988 -11.021 1.00 84.06 85 A 1 ATOM 696 N N . SER A 1 86 ? 10.037 -3.011 -11.099 1.00 89.13 86 A 1 ATOM 697 C CA . SER A 1 86 ? 10.455 -3.039 -9.693 1.00 90.34 86 A 1 ATOM 698 C C . SER A 1 86 ? 9.320 -2.573 -8.789 1.00 91.39 86 A 1 ATOM 699 O O . SER A 1 86 ? 8.862 -1.435 -8.902 1.00 90.23 86 A 1 ATOM 700 C CB . SER A 1 86 ? 11.693 -2.182 -9.455 1.00 88.14 86 A 1 ATOM 701 O OG . SER A 1 86 ? 12.777 -2.675 -10.220 1.00 76.20 86 A 1 ATOM 702 N N . GLU A 1 87 ? 8.894 -3.438 -7.876 1.00 91.66 87 A 1 ATOM 703 C CA . GLU A 1 87 ? 7.749 -3.210 -7.000 1.00 92.13 87 A 1 ATOM 704 C C . GLU A 1 87 ? 8.160 -3.014 -5.538 1.00 92.19 87 A 1 ATOM 705 O O . GLU A 1 87 ? 9.067 -3.678 -5.043 1.00 91.38 87 A 1 ATOM 706 C CB . GLU A 1 87 ? 6.792 -4.400 -7.085 1.00 90.74 87 A 1 ATOM 707 C CG . GLU A 1 87 ? 6.147 -4.605 -8.455 1.00 87.98 87 A 1 ATOM 708 C CD . GLU A 1 87 ? 5.121 -5.740 -8.405 1.00 88.74 87 A 1 ATOM 709 O OE1 . GLU A 1 87 ? 5.121 -6.594 -9.310 1.00 82.36 87 A 1 ATOM 710 O OE2 . GLU A 1 87 ? 4.306 -5.753 -7.448 1.00 84.50 87 A 1 ATOM 711 N N . TRP A 1 88 ? 7.442 -2.143 -4.806 1.00 93.74 88 A 1 ATOM 712 C CA . TRP A 1 88 ? 7.655 -1.919 -3.370 1.00 93.85 88 A 1 ATOM 713 C C . TRP A 1 88 ? 6.385 -1.428 -2.667 1.00 94.43 88 A 1 ATOM 714 O O . TRP A 1 88 ? 5.421 -1.006 -3.294 1.00 93.89 88 A 1 ATOM 715 C CB . TRP A 1 88 ? 8.795 -0.913 -3.166 1.00 92.69 88 A 1 ATOM 716 C CG . TRP A 1 88 ? 8.544 0.462 -3.710 1.00 92.08 88 A 1 ATOM 717 C CD1 . TRP A 1 88 ? 8.063 1.512 -3.003 1.00 90.67 88 A 1 ATOM 718 C CD2 . TRP A 1 88 ? 8.720 0.949 -5.071 1.00 91.45 88 A 1 ATOM 719 N NE1 . TRP A 1 88 ? 7.922 2.609 -3.830 1.00 88.42 88 A 1 ATOM 720 C CE2 . TRP A 1 88 ? 8.310 2.316 -5.120 1.00 89.71 88 A 1 ATOM 721 C CE3 . TRP A 1 88 ? 9.173 0.373 -6.276 1.00 88.13 88 A 1 ATOM 722 C CZ2 . TRP A 1 88 ? 8.334 3.067 -6.305 1.00 87.09 88 A 1 ATOM 723 C CZ3 . TRP A 1 88 ? 9.207 1.118 -7.470 1.00 87.54 88 A 1 ATOM 724 C CH2 . TRP A 1 88 ? 8.783 2.457 -7.489 1.00 86.69 88 A 1 ATOM 725 N N . TRP A 1 89 ? 6.396 -1.458 -1.338 1.00 94.36 89 A 1 ATOM 726 C CA . TRP A 1 89 ? 5.407 -0.780 -0.507 1.00 95.26 89 A 1 ATOM 727 C C . TRP A 1 89 ? 5.861 0.644 -0.190 1.00 95.10 89 A 1 ATOM 728 O O . TRP A 1 89 ? 6.966 0.851 0.316 1.00 93.86 89 A 1 ATOM 729 C CB . TRP A 1 89 ? 5.162 -1.571 0.771 1.00 95.62 89 A 1 ATOM 730 C CG . TRP A 1 89 ? 4.322 -2.797 0.584 1.00 95.99 89 A 1 ATOM 731 C CD1 . TRP A 1 89 ? 4.759 -4.074 0.620 1.00 94.69 89 A 1 ATOM 732 C CD2 . TRP A 1 89 ? 2.887 -2.871 0.333 1.00 96.15 89 A 1 ATOM 733 N NE1 . TRP A 1 89 ? 3.697 -4.933 0.414 1.00 94.86 89 A 1 ATOM 734 C CE2 . TRP A 1 89 ? 2.518 -4.244 0.224 1.00 95.67 89 A 1 ATOM 735 C CE3 . TRP A 1 89 ? 1.861 -1.917 0.173 1.00 95.70 89 A 1 ATOM 736 C CZ2 . TRP A 1 89 ? 1.196 -4.644 -0.029 1.00 95.65 89 A 1 ATOM 737 C CZ3 . TRP A 1 89 ? 0.534 -2.307 -0.081 1.00 95.42 89 A 1 ATOM 738 C CH2 . TRP A 1 89 ? 0.202 -3.668 -0.184 1.00 95.20 89 A 1 ATOM 739 N N . GLU A 1 90 ? 5.001 1.619 -0.439 1.00 95.68 90 A 1 ATOM 740 C CA . GLU A 1 90 ? 5.266 3.027 -0.155 1.00 95.65 90 A 1 ATOM 741 C C . GLU A 1 90 ? 4.300 3.550 0.910 1.00 96.34 90 A 1 ATOM 742 O O . GLU A 1 90 ? 3.084 3.440 0.775 1.00 95.86 90 A 1 ATOM 743 C CB . GLU A 1 90 ? 5.199 3.840 -1.455 1.00 93.89 90 A 1 ATOM 744 C CG . GLU A 1 90 ? 5.782 5.246 -1.248 1.00 86.35 90 A 1 ATOM 745 C CD . GLU A 1 90 ? 5.804 6.106 -2.521 1.00 84.96 90 A 1 ATOM 746 O OE1 . GLU A 1 90 ? 6.209 7.291 -2.415 1.00 76.22 90 A 1 ATOM 747 O OE2 . GLU A 1 90 ? 5.283 5.693 -3.572 1.00 77.03 90 A 1 ATOM 748 N N . TYR A 1 91 ? 4.861 4.119 1.974 1.00 95.69 91 A 1 ATOM 749 C CA . TYR A 1 91 ? 4.073 4.754 3.027 1.00 95.62 91 A 1 ATOM 750 C C . TYR A 1 91 ? 3.639 6.154 2.601 1.00 95.63 91 A 1 ATOM 751 O O . TYR A 1 91 ? 4.463 6.980 2.199 1.00 94.58 91 A 1 ATOM 752 C CB . TYR A 1 91 ? 4.869 4.788 4.328 1.00 94.55 91 A 1 ATOM 753 C CG . TYR A 1 91 ? 4.094 5.369 5.500 1.00 92.30 91 A 1 ATOM 754 C CD1 . TYR A 1 91 ? 4.303 6.704 5.899 1.00 88.14 91 A 1 ATOM 755 C CD2 . TYR A 1 91 ? 3.158 4.574 6.189 1.00 88.58 91 A 1 ATOM 756 C CE1 . TYR A 1 91 ? 3.602 7.232 7.000 1.00 84.85 91 A 1 ATOM 757 C CE2 . TYR A 1 91 ? 2.455 5.100 7.292 1.00 85.54 91 A 1 ATOM 758 C CZ . TYR A 1 91 ? 2.684 6.428 7.704 1.00 85.28 91 A 1 ATOM 759 O OH . TYR A 1 91 ? 2.032 6.934 8.784 1.00 83.58 91 A 1 ATOM 760 N N . LYS A 1 92 ? 2.357 6.427 2.729 1.00 95.35 92 A 1 ATOM 761 C CA . LYS A 1 92 ? 1.733 7.684 2.334 1.00 95.14 92 A 1 ATOM 762 C C . LYS A 1 92 ? 1.009 8.324 3.513 1.00 95.61 92 A 1 ATOM 763 O O . LYS A 1 92 ? 0.400 7.660 4.347 1.00 94.51 92 A 1 ATOM 764 C CB . LYS A 1 92 ? 0.752 7.452 1.178 1.00 94.29 92 A 1 ATOM 765 C CG . LYS A 1 92 ? 1.354 6.862 -0.099 1.00 92.77 92 A 1 ATOM 766 C CD . LYS A 1 92 ? 2.339 7.791 -0.822 1.00 88.98 92 A 1 ATOM 767 C CE . LYS A 1 92 ? 2.540 7.184 -2.210 1.00 85.71 92 A 1 ATOM 768 N NZ . LYS A 1 92 ? 3.502 7.900 -3.046 1.00 78.89 92 A 1 ATOM 769 N N . THR A 1 93 ? 1.040 9.634 3.506 1.00 94.44 93 A 1 ATOM 770 C CA . THR A 1 93 ? 0.269 10.472 4.422 1.00 93.49 93 A 1 ATOM 771 C C . THR A 1 93 ? -0.441 11.541 3.615 1.00 93.22 93 A 1 ATOM 772 O O . THR A 1 93 ? 0.048 11.955 2.560 1.00 90.99 93 A 1 ATOM 773 C CB . THR A 1 93 ? 1.151 11.129 5.493 1.00 91.47 93 A 1 ATOM 774 O OG1 . THR A 1 93 ? 2.047 12.057 4.927 1.00 84.42 93 A 1 ATOM 775 C CG2 . THR A 1 93 ? 1.998 10.132 6.271 1.00 84.85 93 A 1 ATOM 776 N N . THR A 1 94 ? -1.570 12.033 4.108 1.00 88.57 94 A 1 ATOM 777 C CA . THR A 1 94 ? -2.168 13.232 3.517 1.00 85.56 94 A 1 ATOM 778 C C . THR A 1 94 ? -1.142 14.368 3.562 1.00 84.95 94 A 1 ATOM 779 O O . THR A 1 94 ? -0.628 14.665 4.645 1.00 82.03 94 A 1 ATOM 780 C CB . THR A 1 94 ? -3.441 13.646 4.260 1.00 81.90 94 A 1 ATOM 781 O OG1 . THR A 1 94 ? -4.345 12.570 4.268 1.00 72.93 94 A 1 ATOM 782 C CG2 . THR A 1 94 ? -4.155 14.814 3.583 1.00 71.40 94 A 1 ATOM 783 N N . PRO A 1 95 ? -0.813 15.011 2.424 1.00 84.81 95 A 1 ATOM 784 C CA . PRO A 1 95 ? 0.123 16.126 2.409 1.00 81.90 95 A 1 ATOM 785 C C . PRO A 1 95 ? -0.313 17.223 3.380 1.00 81.45 95 A 1 ATOM 786 O O . PRO A 1 95 ? -1.498 17.557 3.477 1.00 79.30 95 A 1 ATOM 787 C CB . PRO A 1 95 ? 0.165 16.625 0.963 1.00 79.98 95 A 1 ATOM 788 C CG . PRO A 1 95 ? -0.222 15.390 0.155 1.00 78.38 95 A 1 ATOM 789 C CD . PRO A 1 95 ? -1.221 14.680 1.073 1.00 81.55 95 A 1 ATOM 790 N N . ALA A 1 96 ? 0.655 17.812 4.086 1.00 77.58 96 A 1 ATOM 791 C CA . ALA A 1 96 ? 0.372 18.976 4.911 1.00 76.39 96 A 1 ATOM 792 C C . ALA A 1 96 ? -0.164 20.110 4.029 1.00 77.31 96 A 1 ATOM 793 O O . ALA A 1 96 ? 0.375 20.374 2.953 1.00 75.02 96 A 1 ATOM 794 C CB . ALA A 1 96 ? 1.636 19.386 5.669 1.00 73.74 96 A 1 ATOM 795 N N . ILE A 1 97 ? -1.198 20.789 4.501 1.00 66.61 97 A 1 ATOM 796 C CA . ILE A 1 97 ? -1.742 21.955 3.802 1.00 69.48 97 A 1 ATOM 797 C C . ILE A 1 97 ? -0.691 23.070 3.864 1.00 71.73 97 A 1 ATOM 798 O O . ILE A 1 97 ? -0.347 23.492 4.981 1.00 69.99 97 A 1 ATOM 799 C CB . ILE A 1 97 ? -3.093 22.395 4.407 1.00 67.33 97 A 1 ATOM 800 C CG1 . ILE A 1 97 ? -4.126 21.248 4.339 1.00 64.15 97 A 1 ATOM 801 C CG2 . ILE A 1 97 ? -3.617 23.644 3.675 1.00 65.34 97 A 1 ATOM 802 C CD1 . ILE A 1 97 ? -5.456 21.556 5.033 1.00 62.52 97 A 1 ATOM 803 N N . PRO A 1 98 ? -0.167 23.550 2.710 1.00 63.08 98 A 1 ATOM 804 C CA . PRO A 1 98 ? 0.786 24.650 2.658 1.00 64.89 98 A 1 ATOM 805 C C . PRO A 1 98 ? 0.218 25.919 3.295 1.00 66.79 98 A 1 ATOM 806 O O . PRO A 1 98 ? -1.000 26.116 3.333 1.00 65.62 98 A 1 ATOM 807 C CB . PRO A 1 98 ? 1.104 24.852 1.177 1.00 62.43 98 A 1 ATOM 808 C CG . PRO A 1 98 ? 0.781 23.518 0.531 1.00 62.52 98 A 1 ATOM 809 C CD . PRO A 1 98 ? -0.399 23.030 1.367 1.00 69.36 98 A 1 ATOM 810 N N . GLU A 1 99 ? 1.089 26.792 3.799 1.00 61.52 99 A 1 ATOM 811 C CA . GLU A 1 99 ? 0.667 28.022 4.482 1.00 63.19 99 A 1 ATOM 812 C C . GLU A 1 99 ? -0.173 28.928 3.575 1.00 64.23 99 A 1 ATOM 813 O O . GLU A 1 99 ? -1.200 29.444 4.005 1.00 61.70 99 A 1 ATOM 814 C CB . GLU A 1 99 ? 1.912 28.740 5.018 1.00 60.86 99 A 1 ATOM 815 C CG . GLU A 1 99 ? 1.554 29.951 5.893 1.00 53.77 99 A 1 ATOM 816 C CD . GLU A 1 99 ? 2.773 30.590 6.577 1.00 48.55 99 A 1 ATOM 817 O OE1 . GLU A 1 99 ? 2.553 31.566 7.330 1.00 44.66 99 A 1 ATOM 818 O OE2 . GLU A 1 99 ? 3.903 30.085 6.392 1.00 46.07 99 A 1 ATOM 819 N N . GLU A 1 100 ? 0.194 29.027 2.303 1.00 61.40 100 A 1 ATOM 820 C CA . GLU A 1 100 ? -0.522 29.774 1.269 1.00 61.99 100 A 1 ATOM 821 C C . GLU A 1 100 ? -1.930 29.236 0.965 1.00 62.76 100 A 1 ATOM 822 O O . GLU A 1 100 ? -2.765 29.959 0.432 1.00 60.24 100 A 1 ATOM 823 C CB . GLU A 1 100 ? 0.328 29.824 -0.017 1.00 60.94 100 A 1 ATOM 824 C CG . GLU A 1 100 ? 0.622 28.480 -0.706 1.00 55.95 100 A 1 ATOM 825 C CD . GLU A 1 100 ? 1.916 27.781 -0.250 1.00 51.16 100 A 1 ATOM 826 O OE1 . GLU A 1 100 ? 2.543 27.116 -1.102 1.00 49.89 100 A 1 ATOM 827 O OE2 . GLU A 1 100 ? 2.271 27.872 0.944 1.00 52.99 100 A 1 ATOM 828 N N . CYS A 1 101 ? -2.201 27.986 1.309 1.00 63.70 101 A 1 ATOM 829 C CA . CYS A 1 101 ? -3.524 27.371 1.188 1.00 65.41 101 A 1 ATOM 830 C C . CYS A 1 101 ? -4.357 27.490 2.471 1.00 66.72 101 A 1 ATOM 831 O O . CYS A 1 101 ? -5.512 27.056 2.501 1.00 64.11 101 A 1 ATOM 832 C CB . CYS A 1 101 ? -3.359 25.901 0.780 1.00 63.90 101 A 1 ATOM 833 S SG . CYS A 1 101 ? -2.597 25.758 -0.857 1.00 59.80 101 A 1 ATOM 834 N N . ARG A 1 102 ? -3.782 28.028 3.555 1.00 65.03 102 A 1 ATOM 835 C CA . ARG A 1 102 ? -4.495 28.262 4.816 1.00 64.74 102 A 1 ATOM 836 C C . ARG A 1 102 ? -5.137 29.644 4.782 1.00 63.51 102 A 1 ATOM 837 O O . ARG A 1 102 ? -4.536 30.621 4.360 1.00 61.28 102 A 1 ATOM 838 C CB . ARG A 1 102 ? -3.559 28.099 6.020 1.00 63.52 102 A 1 ATOM 839 C CG . ARG A 1 102 ? -2.956 26.690 6.094 1.00 60.33 102 A 1 ATOM 840 C CD . ARG A 1 102 ? -1.969 26.579 7.255 1.00 59.21 102 A 1 ATOM 841 N NE . ARG A 1 102 ? -1.284 25.277 7.233 1.00 56.75 102 A 1 ATOM 842 C CZ . ARG A 1 102 ? -0.342 24.870 8.061 1.00 52.17 102 A 1 ATOM 843 N NH1 . ARG A 1 102 ? 0.054 25.597 9.069 1.00 50.80 102 A 1 ATOM 844 N NH2 . ARG A 1 102 ? 0.227 23.713 7.872 1.00 48.00 102 A 1 ATOM 845 N N . THR A 1 103 ? -6.347 29.733 5.276 1.00 61.12 103 A 1 ATOM 846 C CA . THR A 1 103 ? -7.029 31.027 5.383 1.00 60.25 103 A 1 ATOM 847 C C . THR A 1 103 ? -6.367 31.893 6.451 1.00 59.28 103 A 1 ATOM 848 O O . THR A 1 103 ? -6.310 31.519 7.623 1.00 56.67 103 A 1 ATOM 849 C CB . THR A 1 103 ? -8.518 30.840 5.672 1.00 56.63 103 A 1 ATOM 850 O OG1 . THR A 1 103 ? -8.705 30.030 6.809 1.00 51.75 103 A 1 ATOM 851 C CG2 . THR A 1 103 ? -9.205 30.140 4.499 1.00 51.36 103 A 1 ATOM 852 N N . ILE A 1 104 ? -5.891 33.071 6.060 1.00 57.85 104 A 1 ATOM 853 C CA . ILE A 1 104 ? -5.147 33.993 6.944 1.00 57.24 104 A 1 ATOM 854 C C . ILE A 1 104 ? -6.027 34.552 8.081 1.00 56.92 104 A 1 ATOM 855 O O . ILE A 1 104 ? -5.517 34.928 9.126 1.00 52.70 104 A 1 ATOM 856 C CB . ILE A 1 104 ? -4.466 35.086 6.074 1.00 53.15 104 A 1 ATOM 857 C CG1 . ILE A 1 104 ? -3.472 34.431 5.081 1.00 49.36 104 A 1 ATOM 858 C CG2 . ILE A 1 104 ? -3.740 36.139 6.928 1.00 48.55 104 A 1 ATOM 859 C CD1 . ILE A 1 104 ? -2.854 35.379 4.049 1.00 46.94 104 A 1 ATOM 860 N N . ASN A 1 105 ? -7.350 34.541 7.918 1.00 60.18 105 A 1 ATOM 861 C CA . ASN A 1 105 ? -8.310 35.123 8.871 1.00 61.16 105 A 1 ATOM 862 C C . ASN A 1 105 ? -9.379 34.135 9.384 1.00 60.99 105 A 1 ATOM 863 O O . ASN A 1 105 ? -10.375 34.562 9.961 1.00 58.35 105 A 1 ATOM 864 C CB . ASN A 1 105 ? -8.941 36.369 8.221 1.00 58.83 105 A 1 ATOM 865 C CG . ASN A 1 105 ? -7.948 37.480 7.932 1.00 54.58 105 A 1 ATOM 866 O OD1 . ASN A 1 105 ? -6.902 37.625 8.541 1.00 52.34 105 A 1 ATOM 867 N ND2 . ASN A 1 105 ? -8.245 38.325 6.978 1.00 50.58 105 A 1 ATOM 868 N N . GLY A 1 106 ? -9.226 32.831 9.161 1.00 56.64 106 A 1 ATOM 869 C CA . GLY A 1 106 ? -10.216 31.823 9.582 1.00 56.91 106 A 1 ATOM 870 C C . GLY A 1 106 ? -11.505 31.781 8.751 1.00 57.96 106 A 1 ATOM 871 O O . GLY A 1 106 ? -12.340 30.901 8.972 1.00 55.68 106 A 1 ATOM 872 N N . GLU A 1 107 ? -11.661 32.673 7.782 1.00 54.95 107 A 1 ATOM 873 C CA . GLU A 1 107 ? -12.761 32.620 6.816 1.00 57.14 107 A 1 ATOM 874 C C . GLU A 1 107 ? -12.401 31.651 5.688 1.00 57.35 107 A 1 ATOM 875 O O . GLU A 1 107 ? -11.597 31.952 4.810 1.00 55.03 107 A 1 ATOM 876 C CB . GLU A 1 107 ? -13.109 34.014 6.277 1.00 54.47 107 A 1 ATOM 877 C CG . GLU A 1 107 ? -13.736 34.902 7.365 1.00 48.85 107 A 1 ATOM 878 C CD . GLU A 1 107 ? -14.274 36.240 6.833 1.00 44.98 107 A 1 ATOM 879 O OE1 . GLU A 1 107 ? -14.947 36.937 7.631 1.00 43.43 107 A 1 ATOM 880 O OE2 . GLU A 1 107 ? -14.021 36.571 5.656 1.00 43.20 107 A 1 ATOM 881 N N . VAL A 1 108 ? -12.975 30.456 5.731 1.00 52.58 108 A 1 ATOM 882 C CA . VAL A 1 108 ? -12.887 29.499 4.626 1.00 54.44 108 A 1 ATOM 883 C C . VAL A 1 108 ? -13.741 30.038 3.484 1.00 55.73 108 A 1 ATOM 884 O O . VAL A 1 108 ? -14.963 30.123 3.619 1.00 53.98 108 A 1 ATOM 885 C CB . VAL A 1 108 ? -13.348 28.090 5.055 1.00 52.75 108 A 1 ATOM 886 C CG1 . VAL A 1 108 ? -13.218 27.082 3.903 1.00 48.02 108 A 1 ATOM 887 C CG2 . VAL A 1 108 ? -12.519 27.561 6.231 1.00 48.10 108 A 1 ATOM 888 N N . ASP A 1 109 ? -13.118 30.372 2.351 1.00 54.04 109 A 1 ATOM 889 C CA . ASP A 1 109 ? -13.853 30.647 1.120 1.00 55.84 109 A 1 ATOM 890 C C . ASP A 1 109 ? -14.541 29.356 0.662 1.00 55.65 109 A 1 ATOM 891 O O . ASP A 1 109 ? -13.922 28.433 0.134 1.00 53.58 109 A 1 ATOM 892 C CB . ASP A 1 109 ? -12.935 31.248 0.044 1.00 54.19 109 A 1 ATOM 893 C CG . ASP A 1 109 ? -13.722 31.647 -1.216 1.00 48.53 109 A 1 ATOM 894 O OD1 . ASP A 1 109 ? -14.957 31.409 -1.259 1.00 48.48 109 A 1 ATOM 895 O OD2 . ASP A 1 109 ? -13.098 32.201 -2.141 1.00 47.61 109 A 1 ATOM 896 N N . ARG A 1 110 ? -15.841 29.278 0.914 1.00 53.19 110 A 1 ATOM 897 C CA . ARG A 1 110 ? -16.677 28.125 0.557 1.00 55.50 110 A 1 ATOM 898 C C . ARG A 1 110 ? -17.185 28.181 -0.883 1.00 55.08 110 A 1 ATOM 899 O O . ARG A 1 110 ? -17.877 27.254 -1.288 1.00 52.69 110 A 1 ATOM 900 C CB . ARG A 1 110 ? -17.831 27.962 1.556 1.00 54.20 110 A 1 ATOM 901 C CG . ARG A 1 110 ? -17.322 27.661 2.973 1.00 50.52 110 A 1 ATOM 902 C CD . ARG A 1 110 ? -18.503 27.336 3.888 1.00 48.43 110 A 1 ATOM 903 N NE . ARG A 1 110 ? -18.054 27.029 5.257 1.00 46.15 110 A 1 ATOM 904 C CZ . ARG A 1 110 ? -18.788 26.511 6.223 1.00 41.63 110 A 1 ATOM 905 N NH1 . ARG A 1 110 ? -20.048 26.212 6.051 1.00 40.57 110 A 1 ATOM 906 N NH2 . ARG A 1 110 ? -18.260 26.281 7.396 1.00 40.37 110 A 1 ATOM 907 N N . THR A 1 111 ? -16.852 29.210 -1.656 1.00 55.50 111 A 1 ATOM 908 C CA . THR A 1 111 ? -17.317 29.338 -3.050 1.00 57.16 111 A 1 ATOM 909 C C . THR A 1 111 ? -16.754 28.251 -3.969 1.00 56.76 111 A 1 ATOM 910 O O . THR A 1 111 ? -17.356 27.949 -4.996 1.00 54.67 111 A 1 ATOM 911 C CB . THR A 1 111 ? -16.990 30.708 -3.650 1.00 56.01 111 A 1 ATOM 912 O OG1 . THR A 1 111 ? -15.607 30.923 -3.697 1.00 51.63 111 A 1 ATOM 913 C CG2 . THR A 1 111 ? -17.661 31.864 -2.905 1.00 51.88 111 A 1 ATOM 914 N N . LEU A 1 112 ? -15.634 27.627 -3.575 1.00 51.92 112 A 1 ATOM 915 C CA . LEU A 1 112 ? -15.004 26.515 -4.292 1.00 53.62 112 A 1 ATOM 916 C C . LEU A 1 112 ? -15.422 25.127 -3.778 1.00 52.41 112 A 1 ATOM 917 O O . LEU A 1 112 ? -14.993 24.115 -4.331 1.00 50.38 112 A 1 ATOM 918 C CB . LEU A 1 112 ? -13.478 26.694 -4.256 1.00 52.84 112 A 1 ATOM 919 C CG . LEU A 1 112 ? -12.963 27.980 -4.937 1.00 49.29 112 A 1 ATOM 920 C CD1 . LEU A 1 112 ? -11.448 28.078 -4.751 1.00 45.86 112 A 1 ATOM 921 C CD2 . LEU A 1 112 ? -13.263 27.999 -6.437 1.00 47.37 112 A 1 ATOM 922 N N . LEU A 1 113 ? -16.237 25.050 -2.727 1.00 50.19 113 A 1 ATOM 923 C CA . LEU A 1 113 ? -16.780 23.771 -2.269 1.00 51.45 113 A 1 ATOM 924 C C . LEU A 1 113 ? -17.937 23.370 -3.191 1.00 48.94 113 A 1 ATOM 925 O O . LEU A 1 113 ? -19.011 23.969 -3.159 1.00 47.43 113 A 1 ATOM 926 C CB . LEU A 1 113 ? -17.207 23.838 -0.791 1.00 50.50 113 A 1 ATOM 927 C CG . LEU A 1 113 ? -16.060 24.124 0.199 1.00 47.20 113 A 1 ATOM 928 C CD1 . LEU A 1 113 ? -16.615 24.223 1.622 1.00 44.39 113 A 1 ATOM 929 C CD2 . LEU A 1 113 ? -14.990 23.027 0.194 1.00 45.70 113 A 1 ATOM 930 N N . LEU A 1 114 ? -17.692 22.351 -4.008 1.00 47.84 114 A 1 ATOM 931 C CA . LEU A 1 114 ? -18.749 21.706 -4.782 1.00 50.31 114 A 1 ATOM 932 C C . LEU A 1 114 ? -19.683 20.972 -3.806 1.00 48.19 114 A 1 ATOM 933 O O . LEU A 1 114 ? -19.220 20.140 -3.027 1.00 45.19 114 A 1 ATOM 934 C CB . LEU A 1 114 ? -18.127 20.766 -5.834 1.00 49.41 114 A 1 ATOM 935 C CG . LEU A 1 114 ? -17.265 21.482 -6.900 1.00 46.36 114 A 1 ATOM 936 C CD1 . LEU A 1 114 ? -16.536 20.449 -7.763 1.00 43.96 114 A 1 ATOM 937 C CD2 . LEU A 1 114 ? -18.105 22.365 -7.828 1.00 46.46 114 A 1 ATOM 938 N N . ASN A 1 115 ? -20.971 21.342 -3.821 1.00 48.29 115 A 1 ATOM 939 C CA . ASN A 1 115 ? -22.019 20.664 -3.051 1.00 49.44 115 A 1 ATOM 940 C C . ASN A 1 115 ? -22.292 19.253 -3.587 1.00 42.88 115 A 1 ATOM 941 O O . ASN A 1 115 ? -22.235 19.076 -4.819 1.00 39.98 115 A 1 ATOM 942 C CB . ASN A 1 115 ? -23.317 21.490 -3.081 1.00 46.56 115 A 1 ATOM 943 C CG . ASN A 1 115 ? -23.266 22.817 -2.353 1.00 42.00 115 A 1 ATOM 944 O OD1 . ASN A 1 115 ? -22.705 22.990 -1.280 1.00 40.27 115 A 1 ATOM 945 N ND2 . ASN A 1 115 ? -23.914 23.828 -2.887 1.00 38.96 115 A 1 ATOM 946 O OXT . ASN A 1 115 ? -22.587 18.389 -2.734 1.00 38.67 115 A 1 #