# 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_acriia33 # _entry.id acriia33 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "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 GLU 2 1 n LEU 3 1 n ASN 4 1 n PHE 5 1 n VAL 6 1 n GLY 7 1 n GLN 8 1 n PHE 9 1 n ASP 10 1 n ASN 11 1 n GLY 12 1 n HIS 13 1 n ASP 14 1 n PHE 15 1 n TYR 16 1 n ASP 17 1 n VAL 18 1 n GLU 19 1 n LYS 20 1 n PHE 21 1 n VAL 22 1 n ASP 23 1 n VAL 24 1 n ASN 25 1 n VAL 26 1 n GLU 27 1 n THR 28 1 n GLY 29 1 n ARG 30 1 n LEU 31 1 n SER 32 1 n ASP 33 1 n GLU 34 1 n ASP 35 1 n ILE 36 1 n ILE 37 1 n LYS 38 1 n VAL 39 1 n TYR 40 1 n ASP 41 1 n ALA 42 1 n LEU 43 1 n ARG 44 1 n ASN 45 1 n GLU 46 1 n HIS 47 1 n ARG 48 1 n LEU 49 1 n ARG 50 1 n ARG 51 1 n GLY 52 1 n LYS 53 1 n GLY 54 1 n LYS 55 1 n TYR 56 1 n GLY 57 1 n ASN 58 1 n LEU 59 1 n LEU 60 1 n SER 61 1 n PHE 62 1 n ALA 63 1 n GLU 64 1 n TYR 65 1 n GLY 66 1 n ASP 67 1 n GLU 68 1 n ASP 69 1 n VAL 70 1 n LEU 71 1 n THR 72 1 n ASP 73 1 n THR 74 1 n THR 75 1 n TYR 76 1 n TRP 77 1 n TYR 78 1 n GLU 79 1 n GLU 80 1 n ASP 81 1 n ILE 82 1 n LEU 83 1 n PRO 84 1 n ALA 85 1 n GLN 86 1 n ASP 87 1 n ARG 88 1 n LEU 89 1 n GLU 90 1 n GLU 91 1 n LEU 92 # _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 00:59:17)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 84.59 _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 84.96 1 1 A GLU 2 2 87.20 1 2 A LEU 3 2 90.75 1 3 A ASN 4 2 90.63 1 4 A PHE 5 2 94.03 1 5 A VAL 6 2 91.93 1 6 A GLY 7 2 95.35 1 7 A GLN 8 2 88.19 1 8 A PHE 9 2 91.87 1 9 A ASP 10 2 88.39 1 10 A ASN 11 2 81.77 1 11 A GLY 12 2 85.37 1 12 A HIS 13 2 77.22 1 13 A ASP 14 2 81.16 1 14 A PHE 15 2 85.87 1 15 A TYR 16 2 86.45 1 16 A ASP 17 2 92.05 1 17 A VAL 18 2 93.07 1 18 A GLU 19 2 88.41 1 19 A LYS 20 2 92.81 1 20 A PHE 21 2 91.92 1 21 A VAL 22 2 93.27 1 22 A ASP 23 2 89.26 1 23 A VAL 24 2 93.22 1 24 A ASN 25 2 83.92 1 25 A VAL 26 2 80.62 1 26 A GLU 27 2 73.73 1 27 A THR 28 2 81.04 1 28 A GLY 29 2 86.13 1 29 A ARG 30 2 75.15 1 30 A LEU 31 2 92.17 1 31 A SER 32 2 93.23 1 32 A ASP 33 2 91.88 1 33 A GLU 34 2 86.41 1 34 A ASP 35 2 93.24 1 35 A ILE 36 2 94.00 1 36 A ILE 37 2 93.36 1 37 A LYS 38 2 91.70 1 38 A VAL 39 2 93.80 1 39 A TYR 40 2 90.68 1 40 A ASP 41 2 91.33 1 41 A ALA 42 2 94.48 1 42 A LEU 43 2 94.05 1 43 A ARG 44 2 80.47 1 44 A ASN 45 2 84.88 1 45 A GLU 46 2 90.47 1 46 A HIS 47 2 86.98 1 47 A ARG 48 2 74.29 1 48 A LEU 49 2 86.63 1 49 A ARG 50 2 75.71 1 50 A ARG 51 2 67.75 1 51 A GLY 52 2 72.53 1 52 A LYS 53 2 60.72 1 53 A GLY 54 2 62.78 1 54 A LYS 55 2 58.88 1 55 A TYR 56 2 57.46 1 56 A GLY 57 2 85.17 1 57 A ASN 58 2 86.20 1 58 A LEU 59 2 91.86 1 59 A LEU 60 2 91.44 1 60 A SER 61 2 95.05 1 61 A PHE 62 2 94.20 1 62 A ALA 63 2 94.34 1 63 A GLU 64 2 88.40 1 64 A TYR 65 2 83.83 1 65 A GLY 66 2 80.27 1 66 A ASP 67 2 62.99 1 67 A GLU 68 2 61.47 1 68 A ASP 69 2 69.36 1 69 A VAL 70 2 82.61 1 70 A LEU 71 2 84.80 1 71 A THR 72 2 76.17 1 72 A ASP 73 2 68.33 1 73 A THR 74 2 74.86 1 74 A THR 75 2 89.18 1 75 A TYR 76 2 89.14 1 76 A TRP 77 2 87.98 1 77 A TYR 78 2 86.28 1 78 A GLU 79 2 84.46 1 79 A GLU 80 2 85.73 1 80 A ASP 81 2 89.36 1 81 A ILE 82 2 89.53 1 82 A LEU 83 2 86.51 1 83 A PRO 84 2 91.03 1 84 A ALA 85 2 89.73 1 85 A GLN 86 2 84.84 1 86 A ASP 87 2 88.24 1 87 A ARG 88 2 85.18 1 88 A LEU 89 2 87.15 1 89 A GLU 90 2 83.84 1 90 A GLU 91 2 81.25 1 91 A LEU 92 2 79.04 1 92 # _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 GLU . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n GLN . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ASP . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n HIS . 13 A 13 A 14 1 n ASP . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n ASN . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n GLU . 27 A 27 A 28 1 n THR . 28 A 28 A 29 1 n GLY . 29 A 29 A 30 1 n ARG . 30 A 30 A 31 1 n LEU . 31 A 31 A 32 1 n SER . 32 A 32 A 33 1 n ASP . 33 A 33 A 34 1 n GLU . 34 A 34 A 35 1 n ASP . 35 A 35 A 36 1 n ILE . 36 A 36 A 37 1 n ILE . 37 A 37 A 38 1 n LYS . 38 A 38 A 39 1 n VAL . 39 A 39 A 40 1 n TYR . 40 A 40 A 41 1 n ASP . 41 A 41 A 42 1 n ALA . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n ARG . 44 A 44 A 45 1 n ASN . 45 A 45 A 46 1 n GLU . 46 A 46 A 47 1 n HIS . 47 A 47 A 48 1 n ARG . 48 A 48 A 49 1 n LEU . 49 A 49 A 50 1 n ARG . 50 A 50 A 51 1 n ARG . 51 A 51 A 52 1 n GLY . 52 A 52 A 53 1 n LYS . 53 A 53 A 54 1 n GLY . 54 A 54 A 55 1 n LYS . 55 A 55 A 56 1 n TYR . 56 A 56 A 57 1 n GLY . 57 A 57 A 58 1 n ASN . 58 A 58 A 59 1 n LEU . 59 A 59 A 60 1 n LEU . 60 A 60 A 61 1 n SER . 61 A 61 A 62 1 n PHE . 62 A 62 A 63 1 n ALA . 63 A 63 A 64 1 n GLU . 64 A 64 A 65 1 n TYR . 65 A 65 A 66 1 n GLY . 66 A 66 A 67 1 n ASP . 67 A 67 A 68 1 n GLU . 68 A 68 A 69 1 n ASP . 69 A 69 A 70 1 n VAL . 70 A 70 A 71 1 n LEU . 71 A 71 A 72 1 n THR . 72 A 72 A 73 1 n ASP . 73 A 73 A 74 1 n THR . 74 A 74 A 75 1 n THR . 75 A 75 A 76 1 n TYR . 76 A 76 A 77 1 n TRP . 77 A 77 A 78 1 n TYR . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n GLU . 80 A 80 A 81 1 n ASP . 81 A 81 A 82 1 n ILE . 82 A 82 A 83 1 n LEU . 83 A 83 A 84 1 n PRO . 84 A 84 A 85 1 n ALA . 85 A 85 A 86 1 n GLN . 86 A 86 A 87 1 n ASP . 87 A 87 A 88 1 n ARG . 88 A 88 A 89 1 n LEU . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n GLU . 91 A 91 A 92 1 n LEU . 92 A 92 # _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 ? 0.922 14.587 3.119 1.00 83.91 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.764 14.956 1.697 1.00 91.20 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.172 13.942 1.071 1.00 93.46 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.006 12.758 1.345 1.00 92.23 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.128 14.977 1.001 1.00 85.94 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.053 15.213 -0.513 1.00 81.51 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.692 15.370 -1.257 1.00 79.89 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.246 15.492 -3.012 1.00 71.51 1 A 1 ATOM 9 N N . GLU A 1 2 ? -1.152 14.377 0.299 1.00 89.62 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -2.066 13.444 -0.363 1.00 92.07 2 A 1 ATOM 11 C C . GLU A 1 2 ? -1.422 12.922 -1.655 1.00 92.43 2 A 1 ATOM 12 O O . GLU A 1 2 ? -1.120 13.715 -2.541 1.00 91.21 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -3.424 14.123 -0.596 1.00 91.39 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -4.493 13.122 -1.052 1.00 86.22 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -5.877 13.775 -1.204 1.00 85.15 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -6.824 13.329 -0.516 1.00 77.05 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -6.005 14.706 -2.031 1.00 79.69 2 A 1 ATOM 18 N N . LEU A 1 3 ? -1.202 11.607 -1.749 1.00 91.80 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -0.672 10.906 -2.918 1.00 92.33 3 A 1 ATOM 20 C C . LEU A 1 3 ? -1.703 9.913 -3.449 1.00 93.17 3 A 1 ATOM 21 O O . LEU A 1 3 ? -2.507 9.370 -2.685 1.00 93.04 3 A 1 ATOM 22 C CB . LEU A 1 3 ? 0.645 10.187 -2.569 1.00 91.42 3 A 1 ATOM 23 C CG . LEU A 1 3 ? 1.811 11.098 -2.148 1.00 89.78 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? 3.048 10.239 -1.882 1.00 87.19 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? 2.163 12.131 -3.221 1.00 87.23 3 A 1 ATOM 26 N N . ASN A 1 4 ? -1.666 9.657 -4.759 1.00 93.10 4 A 1 ATOM 27 C CA . ASN A 1 4 ? -2.444 8.586 -5.365 1.00 93.67 4 A 1 ATOM 28 C C . ASN A 1 4 ? -1.644 7.283 -5.327 1.00 94.19 4 A 1 ATOM 29 O O . ASN A 1 4 ? -0.471 7.268 -5.686 1.00 93.76 4 A 1 ATOM 30 C CB . ASN A 1 4 ? -2.842 8.969 -6.793 1.00 92.37 4 A 1 ATOM 31 C CG . ASN A 1 4 ? -3.897 8.042 -7.376 1.00 89.71 4 A 1 ATOM 32 O OD1 . ASN A 1 4 ? -4.689 7.431 -6.668 1.00 84.39 4 A 1 ATOM 33 N ND2 . ASN A 1 4 ? -3.967 7.941 -8.681 1.00 83.87 4 A 1 ATOM 34 N N . PHE A 1 5 ? -2.272 6.191 -4.920 1.00 93.93 5 A 1 ATOM 35 C CA . PHE A 1 5 ? -1.691 4.855 -4.910 1.00 94.27 5 A 1 ATOM 36 C C . PHE A 1 5 ? -2.510 3.921 -5.779 1.00 94.62 5 A 1 ATOM 37 O O . PHE A 1 5 ? -3.745 3.927 -5.719 1.00 94.28 5 A 1 ATOM 38 C CB . PHE A 1 5 ? -1.588 4.329 -3.480 1.00 94.48 5 A 1 ATOM 39 C CG . PHE A 1 5 ? -0.623 5.114 -2.620 1.00 94.80 5 A 1 ATOM 40 C CD1 . PHE A 1 5 ? 0.746 4.792 -2.625 1.00 93.30 5 A 1 ATOM 41 C CD2 . PHE A 1 5 ? -1.086 6.191 -1.843 1.00 93.88 5 A 1 ATOM 42 C CE1 . PHE A 1 5 ? 1.649 5.536 -1.850 1.00 93.28 5 A 1 ATOM 43 C CE2 . PHE A 1 5 ? -0.182 6.939 -1.069 1.00 93.30 5 A 1 ATOM 44 C CZ . PHE A 1 5 ? 1.184 6.609 -1.072 1.00 94.14 5 A 1 ATOM 45 N N . VAL A 1 6 ? -1.816 3.072 -6.539 1.00 94.93 6 A 1 ATOM 46 C CA . VAL A 1 6 ? -2.404 1.954 -7.273 1.00 95.46 6 A 1 ATOM 47 C C . VAL A 1 6 ? -2.025 0.650 -6.587 1.00 95.84 6 A 1 ATOM 48 O O . VAL A 1 6 ? -0.851 0.371 -6.358 1.00 95.64 6 A 1 ATOM 49 C CB . VAL A 1 6 ? -2.029 2.002 -8.763 1.00 94.45 6 A 1 ATOM 50 C CG1 . VAL A 1 6 ? -0.532 1.842 -9.046 1.00 83.34 6 A 1 ATOM 51 C CG2 . VAL A 1 6 ? -2.808 0.944 -9.554 1.00 83.85 6 A 1 ATOM 52 N N . GLY A 1 7 ? -3.016 -0.151 -6.214 1.00 95.19 7 A 1 ATOM 53 C CA . GLY A 1 7 ? -2.833 -1.489 -5.669 1.00 95.34 7 A 1 ATOM 54 C C . GLY A 1 7 ? -3.186 -2.549 -6.698 1.00 95.60 7 A 1 ATOM 55 O O . GLY A 1 7 ? -4.271 -2.496 -7.280 1.00 95.28 7 A 1 ATOM 56 N N . GLN A 1 8 ? -2.303 -3.531 -6.881 1.00 94.79 8 A 1 ATOM 57 C CA . GLN A 1 8 ? -2.554 -4.697 -7.724 1.00 94.90 8 A 1 ATOM 58 C C . GLN A 1 8 ? -3.213 -5.808 -6.907 1.00 94.48 8 A 1 ATOM 59 O O . GLN A 1 8 ? -2.675 -6.273 -5.901 1.00 94.18 8 A 1 ATOM 60 C CB . GLN A 1 8 ? -1.246 -5.158 -8.383 1.00 94.44 8 A 1 ATOM 61 C CG . GLN A 1 8 ? -1.516 -6.306 -9.364 1.00 86.80 8 A 1 ATOM 62 C CD . GLN A 1 8 ? -0.267 -6.655 -10.161 1.00 83.62 8 A 1 ATOM 63 O OE1 . GLN A 1 8 ? 0.609 -7.376 -9.714 1.00 77.39 8 A 1 ATOM 64 N NE2 . GLN A 1 8 ? -0.148 -6.161 -11.375 1.00 73.09 8 A 1 ATOM 65 N N . PHE A 1 9 ? -4.364 -6.253 -7.360 1.00 93.12 9 A 1 ATOM 66 C CA . PHE A 1 9 ? -5.140 -7.325 -6.742 1.00 92.92 9 A 1 ATOM 67 C C . PHE A 1 9 ? -5.170 -8.561 -7.635 1.00 92.69 9 A 1 ATOM 68 O O . PHE A 1 9 ? -5.304 -8.453 -8.851 1.00 91.60 9 A 1 ATOM 69 C CB . PHE A 1 9 ? -6.558 -6.844 -6.439 1.00 93.09 9 A 1 ATOM 70 C CG . PHE A 1 9 ? -6.666 -5.881 -5.272 1.00 93.15 9 A 1 ATOM 71 C CD1 . PHE A 1 9 ? -7.109 -6.340 -4.016 1.00 90.55 9 A 1 ATOM 72 C CD2 . PHE A 1 9 ? -6.324 -4.528 -5.438 1.00 90.82 9 A 1 ATOM 73 C CE1 . PHE A 1 9 ? -7.214 -5.450 -2.933 1.00 89.81 9 A 1 ATOM 74 C CE2 . PHE A 1 9 ? -6.420 -3.639 -4.354 1.00 90.26 9 A 1 ATOM 75 C CZ . PHE A 1 9 ? -6.867 -4.099 -3.103 1.00 92.57 9 A 1 ATOM 76 N N . ASP A 1 10 ? -5.151 -9.745 -7.009 1.00 92.35 10 A 1 ATOM 77 C CA . ASP A 1 10 ? -5.344 -11.047 -7.643 1.00 91.63 10 A 1 ATOM 78 C C . ASP A 1 10 ? -6.620 -11.709 -7.108 1.00 90.16 10 A 1 ATOM 79 O O . ASP A 1 10 ? -6.806 -11.852 -5.897 1.00 87.97 10 A 1 ATOM 80 C CB . ASP A 1 10 ? -4.111 -11.925 -7.392 1.00 90.34 10 A 1 ATOM 81 C CG . ASP A 1 10 ? -4.214 -13.318 -8.030 1.00 87.97 10 A 1 ATOM 82 O OD1 . ASP A 1 10 ? -5.111 -13.525 -8.875 1.00 84.02 10 A 1 ATOM 83 O OD2 . ASP A 1 10 ? -3.432 -14.199 -7.621 1.00 82.65 10 A 1 ATOM 84 N N . ASN A 1 11 ? -7.507 -12.135 -8.001 1.00 89.29 11 A 1 ATOM 85 C CA . ASN A 1 11 ? -8.710 -12.895 -7.653 1.00 86.99 11 A 1 ATOM 86 C C . ASN A 1 11 ? -8.567 -14.414 -7.892 1.00 86.74 11 A 1 ATOM 87 O O . ASN A 1 11 ? -9.563 -15.138 -7.806 1.00 81.92 11 A 1 ATOM 88 C CB . ASN A 1 11 ? -9.932 -12.258 -8.352 1.00 83.10 11 A 1 ATOM 89 C CG . ASN A 1 11 ? -9.948 -12.461 -9.854 1.00 79.38 11 A 1 ATOM 90 O OD1 . ASN A 1 11 ? -9.234 -13.264 -10.412 1.00 72.38 11 A 1 ATOM 91 N ND2 . ASN A 1 11 ? -10.784 -11.752 -10.575 1.00 74.38 11 A 1 ATOM 92 N N . GLY A 1 12 ? -7.346 -14.888 -8.211 1.00 86.24 12 A 1 ATOM 93 C CA . GLY A 1 12 ? -7.035 -16.273 -8.571 1.00 85.78 12 A 1 ATOM 94 C C . GLY A 1 12 ? -7.275 -16.617 -10.045 1.00 86.52 12 A 1 ATOM 95 O O . GLY A 1 12 ? -7.011 -17.745 -10.457 1.00 82.94 12 A 1 ATOM 96 N N . HIS A 1 13 ? -7.769 -15.666 -10.833 1.00 86.56 13 A 1 ATOM 97 C CA . HIS A 1 13 ? -7.992 -15.805 -12.276 1.00 86.45 13 A 1 ATOM 98 C C . HIS A 1 13 ? -7.396 -14.647 -13.077 1.00 87.05 13 A 1 ATOM 99 O O . HIS A 1 13 ? -6.777 -14.879 -14.108 1.00 83.57 13 A 1 ATOM 100 C CB . HIS A 1 13 ? -9.497 -15.922 -12.544 1.00 84.18 13 A 1 ATOM 101 C CG . HIS A 1 13 ? -10.109 -17.163 -11.949 1.00 77.62 13 A 1 ATOM 102 N ND1 . HIS A 1 13 ? -9.765 -18.456 -12.273 1.00 69.04 13 A 1 ATOM 103 C CD2 . HIS A 1 13 ? -11.088 -17.241 -10.996 1.00 66.93 13 A 1 ATOM 104 C CE1 . HIS A 1 13 ? -10.511 -19.289 -11.533 1.00 65.25 13 A 1 ATOM 105 N NE2 . HIS A 1 13 ? -11.347 -18.594 -10.742 1.00 65.51 13 A 1 ATOM 106 N N . ASP A 1 14 ? -7.583 -13.416 -12.588 1.00 87.13 14 A 1 ATOM 107 C CA . ASP A 1 14 ? -7.157 -12.181 -13.230 1.00 87.46 14 A 1 ATOM 108 C C . ASP A 1 14 ? -6.534 -11.225 -12.213 1.00 89.19 14 A 1 ATOM 109 O O . ASP A 1 14 ? -6.967 -11.156 -11.057 1.00 87.46 14 A 1 ATOM 110 C CB . ASP A 1 14 ? -8.348 -11.485 -13.899 1.00 82.78 14 A 1 ATOM 111 C CG . ASP A 1 14 ? -9.030 -12.307 -14.995 1.00 75.05 14 A 1 ATOM 112 O OD1 . ASP A 1 14 ? -8.344 -12.681 -15.970 1.00 70.55 14 A 1 ATOM 113 O OD2 . ASP A 1 14 ? -10.266 -12.487 -14.877 1.00 69.64 14 A 1 ATOM 114 N N . PHE A 1 15 ? -5.572 -10.436 -12.700 1.00 90.83 15 A 1 ATOM 115 C CA . PHE A 1 15 ? -5.040 -9.281 -11.981 1.00 91.31 15 A 1 ATOM 116 C C . PHE A 1 15 ? -5.819 -8.022 -12.357 1.00 90.77 15 A 1 ATOM 117 O O . PHE A 1 15 ? -6.242 -7.855 -13.502 1.00 88.27 15 A 1 ATOM 118 C CB . PHE A 1 15 ? -3.544 -9.119 -12.264 1.00 90.52 15 A 1 ATOM 119 C CG . PHE A 1 15 ? -2.730 -10.340 -11.882 1.00 87.79 15 A 1 ATOM 120 C CD1 . PHE A 1 15 ? -2.384 -10.559 -10.539 1.00 82.91 15 A 1 ATOM 121 C CD2 . PHE A 1 15 ? -2.353 -11.274 -12.866 1.00 82.60 15 A 1 ATOM 122 C CE1 . PHE A 1 15 ? -1.664 -11.709 -10.176 1.00 79.36 15 A 1 ATOM 123 C CE2 . PHE A 1 15 ? -1.635 -12.429 -12.501 1.00 79.41 15 A 1 ATOM 124 C CZ . PHE A 1 15 ? -1.289 -12.644 -11.154 1.00 80.83 15 A 1 ATOM 125 N N . TYR A 1 16 ? -6.015 -7.133 -11.385 1.00 92.05 16 A 1 ATOM 126 C CA . TYR A 1 16 ? -6.669 -5.848 -11.624 1.00 91.84 16 A 1 ATOM 127 C C . TYR A 1 16 ? -6.208 -4.806 -10.609 1.00 92.95 16 A 1 ATOM 128 O O . TYR A 1 16 ? -5.856 -5.133 -9.478 1.00 92.64 16 A 1 ATOM 129 C CB . TYR A 1 16 ? -8.198 -5.997 -11.578 1.00 89.86 16 A 1 ATOM 130 C CG . TYR A 1 16 ? -8.732 -6.567 -10.282 1.00 87.53 16 A 1 ATOM 131 C CD1 . TYR A 1 16 ? -8.804 -7.963 -10.123 1.00 84.70 16 A 1 ATOM 132 C CD2 . TYR A 1 16 ? -9.113 -5.721 -9.220 1.00 84.76 16 A 1 ATOM 133 C CE1 . TYR A 1 16 ? -9.240 -8.517 -8.913 1.00 80.29 16 A 1 ATOM 134 C CE2 . TYR A 1 16 ? -9.550 -6.274 -8.003 1.00 81.09 16 A 1 ATOM 135 C CZ . TYR A 1 16 ? -9.608 -7.674 -7.852 1.00 81.53 16 A 1 ATOM 136 O OH . TYR A 1 16 ? -10.007 -8.227 -6.678 1.00 78.21 16 A 1 ATOM 137 N N . ASP A 1 17 ? -6.307 -3.535 -11.012 1.00 93.97 17 A 1 ATOM 138 C CA . ASP A 1 17 ? -5.833 -2.420 -10.213 1.00 94.29 17 A 1 ATOM 139 C C . ASP A 1 17 ? -6.978 -1.688 -9.505 1.00 94.04 17 A 1 ATOM 140 O O . ASP A 1 17 ? -8.125 -1.611 -9.971 1.00 92.70 17 A 1 ATOM 141 C CB . ASP A 1 17 ? -4.974 -1.488 -11.081 1.00 93.45 17 A 1 ATOM 142 C CG . ASP A 1 17 ? -3.774 -2.219 -11.696 1.00 91.80 17 A 1 ATOM 143 O OD1 . ASP A 1 17 ? -3.267 -3.166 -11.054 1.00 88.10 17 A 1 ATOM 144 O OD2 . ASP A 1 17 ? -3.439 -1.871 -12.845 1.00 88.06 17 A 1 ATOM 145 N N . VAL A 1 18 ? -6.653 -1.152 -8.333 1.00 93.88 18 A 1 ATOM 146 C CA . VAL A 1 18 ? -7.517 -0.277 -7.544 1.00 94.21 18 A 1 ATOM 147 C C . VAL A 1 18 ? -6.713 0.940 -7.123 1.00 94.87 18 A 1 ATOM 148 O O . VAL A 1 18 ? -5.692 0.803 -6.462 1.00 94.73 18 A 1 ATOM 149 C CB . VAL A 1 18 ? -8.075 -1.002 -6.308 1.00 93.22 18 A 1 ATOM 150 C CG1 . VAL A 1 18 ? -8.970 -0.075 -5.473 1.00 90.20 18 A 1 ATOM 151 C CG2 . VAL A 1 18 ? -8.920 -2.224 -6.701 1.00 90.37 18 A 1 ATOM 152 N N . GLU A 1 19 ? -7.216 2.128 -7.452 1.00 95.55 19 A 1 ATOM 153 C CA . GLU A 1 19 ? -6.575 3.390 -7.088 1.00 95.64 19 A 1 ATOM 154 C C . GLU A 1 19 ? -7.245 4.046 -5.881 1.00 95.78 19 A 1 ATOM 155 O O . GLU A 1 19 ? -8.477 3.990 -5.723 1.00 94.42 19 A 1 ATOM 156 C CB . GLU A 1 19 ? -6.600 4.354 -8.273 1.00 93.75 19 A 1 ATOM 157 C CG . GLU A 1 19 ? -5.710 3.907 -9.438 1.00 85.06 19 A 1 ATOM 158 C CD . GLU A 1 19 ? -5.957 4.798 -10.651 1.00 84.31 19 A 1 ATOM 159 O OE1 . GLU A 1 19 ? -6.193 4.221 -11.736 1.00 75.19 19 A 1 ATOM 160 O OE2 . GLU A 1 19 ? -6.026 6.034 -10.453 1.00 76.02 19 A 1 ATOM 161 N N . LYS A 1 20 ? -6.424 4.709 -5.053 1.00 95.50 20 A 1 ATOM 162 C CA . LYS A 1 20 ? -6.898 5.491 -3.913 1.00 95.89 20 A 1 ATOM 163 C C . LYS A 1 20 ? -5.939 6.620 -3.558 1.00 96.00 20 A 1 ATOM 164 O O . LYS A 1 20 ? -4.751 6.395 -3.398 1.00 95.40 20 A 1 ATOM 165 C CB . LYS A 1 20 ? -7.085 4.548 -2.710 1.00 95.60 20 A 1 ATOM 166 C CG . LYS A 1 20 ? -7.839 5.178 -1.529 1.00 93.60 20 A 1 ATOM 167 C CD . LYS A 1 20 ? -9.244 5.599 -1.959 1.00 91.50 20 A 1 ATOM 168 C CE . LYS A 1 20 ? -10.105 6.066 -0.794 1.00 89.45 20 A 1 ATOM 169 N NZ . LYS A 1 20 ? -11.488 6.283 -1.298 1.00 82.31 20 A 1 ATOM 170 N N . PHE A 1 21 ? -6.484 7.818 -3.344 1.00 95.42 21 A 1 ATOM 171 C CA . PHE A 1 21 ? -5.753 8.909 -2.702 1.00 95.73 21 A 1 ATOM 172 C C . PHE A 1 21 ? -5.667 8.682 -1.189 1.00 96.12 21 A 1 ATOM 173 O O . PHE A 1 21 ? -6.674 8.392 -0.537 1.00 95.32 21 A 1 ATOM 174 C CB . PHE A 1 21 ? -6.409 10.252 -3.029 1.00 94.75 21 A 1 ATOM 175 C CG . PHE A 1 21 ? -6.184 10.685 -4.463 1.00 92.72 21 A 1 ATOM 176 C CD1 . PHE A 1 21 ? -5.029 11.421 -4.797 1.00 88.83 21 A 1 ATOM 177 C CD2 . PHE A 1 21 ? -7.111 10.346 -5.467 1.00 89.44 21 A 1 ATOM 178 C CE1 . PHE A 1 21 ? -4.806 11.815 -6.126 1.00 87.03 21 A 1 ATOM 179 C CE2 . PHE A 1 21 ? -6.882 10.737 -6.799 1.00 87.63 21 A 1 ATOM 180 C CZ . PHE A 1 21 ? -5.731 11.473 -7.128 1.00 88.16 21 A 1 ATOM 181 N N . VAL A 1 22 ? -4.446 8.812 -0.648 1.00 93.67 22 A 1 ATOM 182 C CA . VAL A 1 22 ? -4.154 8.642 0.780 1.00 93.80 22 A 1 ATOM 183 C C . VAL A 1 22 ? -3.218 9.753 1.238 1.00 93.87 22 A 1 ATOM 184 O O . VAL A 1 22 ? -2.214 10.042 0.597 1.00 93.85 22 A 1 ATOM 185 C CB . VAL A 1 22 ? -3.539 7.260 1.085 1.00 94.52 22 A 1 ATOM 186 C CG1 . VAL A 1 22 ? -3.456 7.027 2.603 1.00 91.65 22 A 1 ATOM 187 C CG2 . VAL A 1 22 ? -4.369 6.115 0.492 1.00 91.51 22 A 1 ATOM 188 N N . ASP A 1 23 ? -3.550 10.383 2.364 1.00 94.78 23 A 1 ATOM 189 C CA . ASP A 1 23 ? -2.681 11.377 2.991 1.00 95.07 23 A 1 ATOM 190 C C . ASP A 1 23 ? -1.590 10.674 3.807 1.00 95.03 23 A 1 ATOM 191 O O . ASP A 1 23 ? -1.907 9.999 4.785 1.00 93.98 23 A 1 ATOM 192 C CB . ASP A 1 23 ? -3.528 12.326 3.837 1.00 94.03 23 A 1 ATOM 193 C CG . ASP A 1 23 ? -2.689 13.433 4.484 1.00 85.20 23 A 1 ATOM 194 O OD1 . ASP A 1 23 ? -1.737 13.907 3.835 1.00 78.33 23 A 1 ATOM 195 O OD2 . ASP A 1 23 ? -3.029 13.803 5.625 1.00 77.64 23 A 1 ATOM 196 N N . VAL A 1 24 ? -0.307 10.824 3.409 1.00 95.05 24 A 1 ATOM 197 C CA . VAL A 1 24 ? 0.862 10.165 4.011 1.00 94.44 24 A 1 ATOM 198 C C . VAL A 1 24 ? 1.953 11.176 4.372 1.00 93.86 24 A 1 ATOM 199 O O . VAL A 1 24 ? 2.002 12.287 3.828 1.00 92.17 24 A 1 ATOM 200 C CB . VAL A 1 24 ? 1.423 9.058 3.096 1.00 94.09 24 A 1 ATOM 201 C CG1 . VAL A 1 24 ? 0.440 7.895 2.960 1.00 91.40 24 A 1 ATOM 202 C CG2 . VAL A 1 24 ? 1.774 9.572 1.693 1.00 91.50 24 A 1 ATOM 203 N N . ASN A 1 25 ? 2.847 10.793 5.297 1.00 93.05 25 A 1 ATOM 204 C CA . ASN A 1 25 ? 4.056 11.554 5.591 1.00 91.32 25 A 1 ATOM 205 C C . ASN A 1 25 ? 5.206 11.079 4.691 1.00 90.20 25 A 1 ATOM 206 O O . ASN A 1 25 ? 5.636 9.937 4.762 1.00 87.12 25 A 1 ATOM 207 C CB . ASN A 1 25 ? 4.399 11.475 7.089 1.00 89.16 25 A 1 ATOM 208 C CG . ASN A 1 25 ? 5.548 12.413 7.444 1.00 78.74 25 A 1 ATOM 209 O OD1 . ASN A 1 25 ? 6.184 13.008 6.590 1.00 70.89 25 A 1 ATOM 210 N ND2 . ASN A 1 25 ? 5.839 12.619 8.704 1.00 70.89 25 A 1 ATOM 211 N N . VAL A 1 26 ? 5.733 11.985 3.859 1.00 87.50 26 A 1 ATOM 212 C CA . VAL A 1 26 ? 6.780 11.676 2.868 1.00 85.29 26 A 1 ATOM 213 C C . VAL A 1 26 ? 8.087 12.436 3.125 1.00 84.76 26 A 1 ATOM 214 O O . VAL A 1 26 ? 8.914 12.566 2.231 1.00 78.79 26 A 1 ATOM 215 C CB . VAL A 1 26 ? 6.262 11.881 1.432 1.00 81.81 26 A 1 ATOM 216 C CG1 . VAL A 1 26 ? 5.096 10.926 1.137 1.00 72.82 26 A 1 ATOM 217 C CG2 . VAL A 1 26 ? 5.805 13.322 1.180 1.00 73.35 26 A 1 ATOM 218 N N . GLU A 1 27 ? 8.311 12.927 4.350 1.00 82.94 27 A 1 ATOM 219 C CA . GLU A 1 27 ? 9.499 13.733 4.695 1.00 82.35 27 A 1 ATOM 220 C C . GLU A 1 27 ? 10.824 13.027 4.371 1.00 83.05 27 A 1 ATOM 221 O O . GLU A 1 27 ? 11.822 13.680 4.066 1.00 78.94 27 A 1 ATOM 222 C CB . GLU A 1 27 ? 9.476 14.082 6.193 1.00 79.24 27 A 1 ATOM 223 C CG . GLU A 1 27 ? 8.456 15.183 6.532 1.00 71.40 27 A 1 ATOM 224 C CD . GLU A 1 27 ? 8.395 15.522 8.036 1.00 65.64 27 A 1 ATOM 225 O OE1 . GLU A 1 27 ? 7.643 16.460 8.381 1.00 59.59 27 A 1 ATOM 226 O OE2 . GLU A 1 27 ? 9.086 14.857 8.839 1.00 60.45 27 A 1 ATOM 227 N N . THR A 1 28 ? 10.845 11.693 4.417 1.00 84.08 28 A 1 ATOM 228 C CA . THR A 1 28 ? 12.028 10.864 4.131 1.00 83.67 28 A 1 ATOM 229 C C . THR A 1 28 ? 12.043 10.284 2.713 1.00 84.31 28 A 1 ATOM 230 O O . THR A 1 28 ? 12.949 9.524 2.382 1.00 80.11 28 A 1 ATOM 231 C CB . THR A 1 28 ? 12.160 9.738 5.163 1.00 81.62 28 A 1 ATOM 232 O OG1 . THR A 1 28 ? 11.032 8.899 5.109 1.00 77.61 28 A 1 ATOM 233 C CG2 . THR A 1 28 ? 12.274 10.272 6.593 1.00 75.85 28 A 1 ATOM 234 N N . GLY A 1 29 ? 11.046 10.580 1.882 1.00 86.07 29 A 1 ATOM 235 C CA . GLY A 1 29 ? 10.850 9.938 0.579 1.00 86.04 29 A 1 ATOM 236 C C . GLY A 1 29 ? 10.438 8.459 0.660 1.00 87.67 29 A 1 ATOM 237 O O . GLY A 1 29 ? 10.462 7.765 -0.350 1.00 84.75 29 A 1 ATOM 238 N N . ARG A 1 30 ? 10.096 7.961 1.856 1.00 89.77 30 A 1 ATOM 239 C CA . ARG A 1 30 ? 9.656 6.586 2.125 1.00 90.42 30 A 1 ATOM 240 C C . ARG A 1 30 ? 8.447 6.599 3.042 1.00 91.86 30 A 1 ATOM 241 O O . ARG A 1 30 ? 8.332 7.487 3.885 1.00 90.20 30 A 1 ATOM 242 C CB . ARG A 1 30 ? 10.779 5.777 2.777 1.00 87.44 30 A 1 ATOM 243 C CG . ARG A 1 30 ? 11.901 5.483 1.783 1.00 77.13 30 A 1 ATOM 244 C CD . ARG A 1 30 ? 12.951 4.565 2.407 1.00 73.54 30 A 1 ATOM 245 N NE . ARG A 1 30 ? 13.614 3.806 1.343 1.00 65.47 30 A 1 ATOM 246 C CZ . ARG A 1 30 ? 14.680 3.054 1.419 1.00 58.32 30 A 1 ATOM 247 N NH1 . ARG A 1 30 ? 15.411 2.979 2.496 1.00 53.92 30 A 1 ATOM 248 N NH2 . ARG A 1 30 ? 15.001 2.342 0.375 1.00 48.63 30 A 1 ATOM 249 N N . LEU A 1 31 ? 7.595 5.607 2.892 1.00 91.41 31 A 1 ATOM 250 C CA . LEU A 1 31 ? 6.477 5.411 3.805 1.00 92.61 31 A 1 ATOM 251 C C . LEU A 1 31 ? 6.976 4.820 5.129 1.00 92.78 31 A 1 ATOM 252 O O . LEU A 1 31 ? 7.794 3.900 5.141 1.00 92.04 31 A 1 ATOM 253 C CB . LEU A 1 31 ? 5.402 4.527 3.157 1.00 93.22 31 A 1 ATOM 254 C CG . LEU A 1 31 ? 4.802 5.082 1.854 1.00 92.82 31 A 1 ATOM 255 C CD1 . LEU A 1 31 ? 3.704 4.138 1.354 1.00 91.15 31 A 1 ATOM 256 C CD2 . LEU A 1 31 ? 4.198 6.474 2.021 1.00 91.31 31 A 1 ATOM 257 N N . SER A 1 32 ? 6.457 5.341 6.246 1.00 93.12 32 A 1 ATOM 258 C CA . SER A 1 32 ? 6.561 4.685 7.552 1.00 93.25 32 A 1 ATOM 259 C C . SER A 1 32 ? 5.704 3.411 7.587 1.00 94.05 32 A 1 ATOM 260 O O . SER A 1 32 ? 4.811 3.239 6.758 1.00 94.40 32 A 1 ATOM 261 C CB . SER A 1 32 ? 6.129 5.656 8.657 1.00 92.96 32 A 1 ATOM 262 O OG . SER A 1 32 ? 4.755 5.967 8.545 1.00 91.62 32 A 1 ATOM 263 N N . ASP A 1 33 ? 5.932 2.544 8.575 1.00 92.27 33 A 1 ATOM 264 C CA . ASP A 1 33 ? 5.092 1.353 8.780 1.00 93.53 33 A 1 ATOM 265 C C . ASP A 1 33 ? 3.607 1.720 8.935 1.00 94.46 33 A 1 ATOM 266 O O . ASP A 1 33 ? 2.739 1.098 8.323 1.00 94.43 33 A 1 ATOM 267 C CB . ASP A 1 33 ? 5.589 0.579 10.017 1.00 93.20 33 A 1 ATOM 268 C CG . ASP A 1 33 ? 6.946 -0.102 9.815 1.00 91.86 33 A 1 ATOM 269 O OD1 . ASP A 1 33 ? 7.406 -0.230 8.656 1.00 87.76 33 A 1 ATOM 270 O OD2 . ASP A 1 33 ? 7.550 -0.573 10.799 1.00 87.56 33 A 1 ATOM 271 N N . GLU A 1 34 ? 3.314 2.795 9.674 1.00 93.23 34 A 1 ATOM 272 C CA . GLU A 1 34 ? 1.952 3.316 9.835 1.00 93.84 34 A 1 ATOM 273 C C . GLU A 1 34 ? 1.341 3.747 8.492 1.00 94.93 34 A 1 ATOM 274 O O . GLU A 1 34 ? 0.185 3.425 8.197 1.00 94.61 34 A 1 ATOM 275 C CB . GLU A 1 34 ? 1.957 4.518 10.795 1.00 93.45 34 A 1 ATOM 276 C CG . GLU A 1 34 ? 2.342 4.154 12.240 1.00 85.37 34 A 1 ATOM 277 C CD . GLU A 1 34 ? 2.329 5.362 13.201 1.00 80.27 34 A 1 ATOM 278 O OE1 . GLU A 1 34 ? 2.614 5.153 14.402 1.00 71.15 34 A 1 ATOM 279 O OE2 . GLU A 1 34 ? 2.027 6.496 12.754 1.00 70.81 34 A 1 ATOM 280 N N . ASP A 1 35 ? 2.112 4.446 7.657 1.00 94.91 35 A 1 ATOM 281 C CA . ASP A 1 35 ? 1.648 4.884 6.339 1.00 95.17 35 A 1 ATOM 282 C C . ASP A 1 35 ? 1.472 3.706 5.374 1.00 95.93 35 A 1 ATOM 283 O O . ASP A 1 35 ? 0.498 3.689 4.619 1.00 95.66 35 A 1 ATOM 284 C CB . ASP A 1 35 ? 2.610 5.921 5.745 1.00 94.39 35 A 1 ATOM 285 C CG . ASP A 1 35 ? 2.515 7.295 6.412 1.00 92.67 35 A 1 ATOM 286 O OD1 . ASP A 1 35 ? 1.379 7.812 6.561 1.00 88.94 35 A 1 ATOM 287 O OD2 . ASP A 1 35 ? 3.589 7.865 6.701 1.00 88.25 35 A 1 ATOM 288 N N . ILE A 1 36 ? 2.366 2.692 5.417 1.00 93.86 36 A 1 ATOM 289 C CA . ILE A 1 36 ? 2.228 1.452 4.635 1.00 94.55 36 A 1 ATOM 290 C C . ILE A 1 36 ? 0.887 0.783 4.953 1.00 94.86 36 A 1 ATOM 291 O O . ILE A 1 36 ? 0.106 0.487 4.041 1.00 95.00 36 A 1 ATOM 292 C CB . ILE A 1 36 ? 3.431 0.503 4.883 1.00 94.85 36 A 1 ATOM 293 C CG1 . ILE A 1 36 ? 4.712 1.077 4.233 1.00 94.09 36 A 1 ATOM 294 C CG2 . ILE A 1 36 ? 3.161 -0.912 4.334 1.00 93.82 36 A 1 ATOM 295 C CD1 . ILE A 1 36 ? 6.006 0.370 4.655 1.00 90.95 36 A 1 ATOM 296 N N . ILE A 1 37 ? 0.583 0.596 6.240 1.00 94.66 37 A 1 ATOM 297 C CA . ILE A 1 37 ? -0.682 -0.019 6.667 1.00 94.65 37 A 1 ATOM 298 C C . ILE A 1 37 ? -1.880 0.866 6.310 1.00 94.73 37 A 1 ATOM 299 O O . ILE A 1 37 ? -2.904 0.370 5.833 1.00 95.02 37 A 1 ATOM 300 C CB . ILE A 1 37 ? -0.631 -0.373 8.170 1.00 94.96 37 A 1 ATOM 301 C CG1 . ILE A 1 37 ? 0.495 -1.385 8.489 1.00 93.17 37 A 1 ATOM 302 C CG2 . ILE A 1 37 ? -1.977 -0.936 8.665 1.00 93.17 37 A 1 ATOM 303 C CD1 . ILE A 1 37 ? 0.570 -2.609 7.573 1.00 86.54 37 A 1 ATOM 304 N N . LYS A 1 38 ? -1.747 2.175 6.447 1.00 94.12 38 A 1 ATOM 305 C CA . LYS A 1 38 ? -2.790 3.131 6.063 1.00 94.86 38 A 1 ATOM 306 C C . LYS A 1 38 ? -3.142 3.039 4.574 1.00 95.48 38 A 1 ATOM 307 O O . LYS A 1 38 ? -4.328 3.021 4.229 1.00 95.19 38 A 1 ATOM 308 C CB . LYS A 1 38 ? -2.300 4.525 6.458 1.00 94.38 38 A 1 ATOM 309 C CG . LYS A 1 38 ? -3.334 5.622 6.225 1.00 92.09 38 A 1 ATOM 310 C CD . LYS A 1 38 ? -2.688 6.945 6.643 1.00 91.34 38 A 1 ATOM 311 C CE . LYS A 1 38 ? -3.662 8.110 6.513 1.00 86.37 38 A 1 ATOM 312 N NZ . LYS A 1 38 ? -2.972 9.362 6.903 1.00 81.46 38 A 1 ATOM 313 N N . VAL A 1 39 ? -2.130 2.956 3.694 1.00 94.64 39 A 1 ATOM 314 C CA . VAL A 1 39 ? -2.333 2.789 2.242 1.00 94.67 39 A 1 ATOM 315 C C . VAL A 1 39 ? -2.955 1.428 1.939 1.00 94.89 39 A 1 ATOM 316 O O . VAL A 1 39 ? -3.949 1.357 1.206 1.00 95.04 39 A 1 ATOM 317 C CB . VAL A 1 39 ? -1.013 2.990 1.467 1.00 94.89 39 A 1 ATOM 318 C CG1 . VAL A 1 39 ? -1.175 2.673 -0.028 1.00 91.70 39 A 1 ATOM 319 C CG2 . VAL A 1 39 ? -0.539 4.445 1.567 1.00 90.75 39 A 1 ATOM 320 N N . TYR A 1 40 ? -2.428 0.356 2.546 1.00 95.12 40 A 1 ATOM 321 C CA . TYR A 1 40 ? -2.971 -0.997 2.424 1.00 94.37 40 A 1 ATOM 322 C C . TYR A 1 40 ? -4.465 -1.053 2.774 1.00 94.03 40 A 1 ATOM 323 O O . TYR A 1 40 ? -5.289 -1.514 1.978 1.00 94.30 40 A 1 ATOM 324 C CB . TYR A 1 40 ? -2.150 -1.932 3.323 1.00 94.29 40 A 1 ATOM 325 C CG . TYR A 1 40 ? -2.741 -3.313 3.497 1.00 92.79 40 A 1 ATOM 326 C CD1 . TYR A 1 40 ? -3.422 -3.652 4.685 1.00 88.84 40 A 1 ATOM 327 C CD2 . TYR A 1 40 ? -2.587 -4.271 2.479 1.00 88.91 40 A 1 ATOM 328 C CE1 . TYR A 1 40 ? -3.921 -4.956 4.860 1.00 86.10 40 A 1 ATOM 329 C CE2 . TYR A 1 40 ? -3.083 -5.574 2.655 1.00 86.42 40 A 1 ATOM 330 C CZ . TYR A 1 40 ? -3.742 -5.922 3.849 1.00 87.29 40 A 1 ATOM 331 O OH . TYR A 1 40 ? -4.195 -7.191 4.025 1.00 85.66 40 A 1 ATOM 332 N N . ASP A 1 41 ? -4.837 -0.524 3.935 1.00 93.80 41 A 1 ATOM 333 C CA . ASP A 1 41 ? -6.223 -0.494 4.399 1.00 93.32 41 A 1 ATOM 334 C C . ASP A 1 41 ? -7.120 0.370 3.510 1.00 93.23 41 A 1 ATOM 335 O O . ASP A 1 41 ? -8.262 -0.005 3.214 1.00 93.14 41 A 1 ATOM 336 C CB . ASP A 1 41 ? -6.273 0.028 5.841 1.00 93.45 41 A 1 ATOM 337 C CG . ASP A 1 41 ? -5.996 -1.046 6.894 1.00 90.63 41 A 1 ATOM 338 O OD1 . ASP A 1 41 ? -6.125 -2.248 6.549 1.00 86.99 41 A 1 ATOM 339 O OD2 . ASP A 1 41 ? -5.842 -0.640 8.062 1.00 86.09 41 A 1 ATOM 340 N N . ALA A 1 42 ? -6.617 1.511 3.037 1.00 94.39 42 A 1 ATOM 341 C CA . ALA A 1 42 ? -7.353 2.385 2.130 1.00 94.42 42 A 1 ATOM 342 C C . ALA A 1 42 ? -7.673 1.683 0.799 1.00 94.35 42 A 1 ATOM 343 O O . ALA A 1 42 ? -8.830 1.697 0.363 1.00 94.18 42 A 1 ATOM 344 C CB . ALA A 1 42 ? -6.551 3.676 1.928 1.00 95.08 42 A 1 ATOM 345 N N . LEU A 1 43 ? -6.681 1.008 0.197 1.00 94.91 43 A 1 ATOM 346 C CA . LEU A 1 43 ? -6.854 0.246 -1.046 1.00 94.15 43 A 1 ATOM 347 C C . LEU A 1 43 ? -7.814 -0.933 -0.864 1.00 93.49 43 A 1 ATOM 348 O O . LEU A 1 43 ? -8.729 -1.129 -1.674 1.00 93.26 43 A 1 ATOM 349 C CB . LEU A 1 43 ? -5.476 -0.238 -1.531 1.00 94.83 43 A 1 ATOM 350 C CG . LEU A 1 43 ? -4.594 0.875 -2.124 1.00 94.74 43 A 1 ATOM 351 C CD1 . LEU A 1 43 ? -3.159 0.374 -2.251 1.00 92.99 43 A 1 ATOM 352 C CD2 . LEU A 1 43 ? -5.087 1.299 -3.515 1.00 94.01 43 A 1 ATOM 353 N N . ARG A 1 44 ? -7.679 -1.693 0.235 1.00 94.80 44 A 1 ATOM 354 C CA . ARG A 1 44 ? -8.605 -2.792 0.549 1.00 93.42 44 A 1 ATOM 355 C C . ARG A 1 44 ? -10.030 -2.309 0.793 1.00 93.00 44 A 1 ATOM 356 O O . ARG A 1 44 ? -10.992 -2.962 0.366 1.00 92.09 44 A 1 ATOM 357 C CB . ARG A 1 44 ? -8.109 -3.567 1.773 1.00 92.47 44 A 1 ATOM 358 C CG . ARG A 1 44 ? -6.915 -4.461 1.431 1.00 83.80 44 A 1 ATOM 359 C CD . ARG A 1 44 ? -6.525 -5.314 2.635 1.00 80.69 44 A 1 ATOM 360 N NE . ARG A 1 44 ? -7.540 -6.332 2.964 1.00 72.59 44 A 1 ATOM 361 C CZ . ARG A 1 44 ? -7.565 -7.584 2.547 1.00 66.33 44 A 1 ATOM 362 N NH1 . ARG A 1 44 ? -6.660 -8.071 1.745 1.00 60.28 44 A 1 ATOM 363 N NH2 . ARG A 1 44 ? -8.508 -8.383 2.942 1.00 55.67 44 A 1 ATOM 364 N N . ASN A 1 45 ? -10.198 -1.178 1.461 1.00 91.44 45 A 1 ATOM 365 C CA . ASN A 1 45 ? -11.513 -0.578 1.654 1.00 91.11 45 A 1 ATOM 366 C C . ASN A 1 45 ? -12.124 -0.110 0.331 1.00 91.14 45 A 1 ATOM 367 O O . ASN A 1 45 ? -13.299 -0.400 0.081 1.00 90.58 45 A 1 ATOM 368 C CB . ASN A 1 45 ? -11.418 0.557 2.684 1.00 90.89 45 A 1 ATOM 369 C CG . ASN A 1 45 ? -11.449 0.022 4.100 1.00 80.22 45 A 1 ATOM 370 O OD1 . ASN A 1 45 ? -12.322 -0.774 4.453 1.00 73.24 45 A 1 ATOM 371 N ND2 . ASN A 1 45 ? -10.561 0.465 4.950 1.00 70.38 45 A 1 ATOM 372 N N . GLU A 1 46 ? -11.337 0.529 -0.532 1.00 92.73 46 A 1 ATOM 373 C CA . GLU A 1 46 ? -11.772 0.934 -1.872 1.00 92.82 46 A 1 ATOM 374 C C . GLU A 1 46 ? -12.174 -0.284 -2.716 1.00 92.61 46 A 1 ATOM 375 O O . GLU A 1 46 ? -13.270 -0.320 -3.287 1.00 91.11 46 A 1 ATOM 376 C CB . GLU A 1 46 ? -10.643 1.744 -2.536 1.00 92.94 46 A 1 ATOM 377 C CG . GLU A 1 46 ? -11.060 2.356 -3.884 1.00 90.59 46 A 1 ATOM 378 C CD . GLU A 1 46 ? -12.204 3.379 -3.775 1.00 90.94 46 A 1 ATOM 379 O OE1 . GLU A 1 46 ? -12.970 3.500 -4.754 1.00 85.05 46 A 1 ATOM 380 O OE2 . GLU A 1 46 ? -12.315 4.058 -2.721 1.00 85.47 46 A 1 ATOM 381 N N . HIS A 1 47 ? -11.344 -1.345 -2.709 1.00 92.82 47 A 1 ATOM 382 C CA . HIS A 1 47 ? -11.659 -2.629 -3.334 1.00 91.46 47 A 1 ATOM 383 C C . HIS A 1 47 ? -13.002 -3.186 -2.840 1.00 90.44 47 A 1 ATOM 384 O O . HIS A 1 47 ? -13.873 -3.550 -3.638 1.00 88.99 47 A 1 ATOM 385 C CB . HIS A 1 47 ? -10.528 -3.625 -3.039 1.00 90.66 47 A 1 ATOM 386 C CG . HIS A 1 47 ? -10.888 -5.030 -3.447 1.00 89.40 47 A 1 ATOM 387 N ND1 . HIS A 1 47 ? -11.371 -6.020 -2.610 1.00 80.77 47 A 1 ATOM 388 C CD2 . HIS A 1 47 ? -10.866 -5.516 -4.722 1.00 80.39 47 A 1 ATOM 389 C CE1 . HIS A 1 47 ? -11.618 -7.091 -3.378 1.00 81.66 47 A 1 ATOM 390 N NE2 . HIS A 1 47 ? -11.340 -6.826 -4.661 1.00 83.17 47 A 1 ATOM 391 N N . ARG A 1 48 ? -13.204 -3.215 -1.520 1.00 90.61 48 A 1 ATOM 392 C CA . ARG A 1 48 ? -14.448 -3.688 -0.897 1.00 89.07 48 A 1 ATOM 393 C C . ARG A 1 48 ? -15.662 -2.859 -1.314 1.00 88.59 48 A 1 ATOM 394 O O . ARG A 1 48 ? -16.739 -3.428 -1.489 1.00 86.17 48 A 1 ATOM 395 C CB . ARG A 1 48 ? -14.261 -3.687 0.627 1.00 87.19 48 A 1 ATOM 396 C CG . ARG A 1 48 ? -15.475 -4.245 1.382 1.00 74.46 48 A 1 ATOM 397 C CD . ARG A 1 48 ? -15.275 -4.163 2.902 1.00 73.94 48 A 1 ATOM 398 N NE . ARG A 1 48 ? -15.122 -2.774 3.385 1.00 65.44 48 A 1 ATOM 399 C CZ . ARG A 1 48 ? -16.066 -1.879 3.603 1.00 59.38 48 A 1 ATOM 400 N NH1 . ARG A 1 48 ? -17.334 -2.141 3.433 1.00 54.43 48 A 1 ATOM 401 N NH2 . ARG A 1 48 ? -15.736 -0.677 4.000 1.00 47.89 48 A 1 ATOM 402 N N . LEU A 1 49 ? -15.510 -1.542 -1.454 1.00 89.70 49 A 1 ATOM 403 C CA . LEU A 1 49 ? -16.587 -0.654 -1.906 1.00 89.28 49 A 1 ATOM 404 C C . LEU A 1 49 ? -16.948 -0.909 -3.374 1.00 87.90 49 A 1 ATOM 405 O O . LEU A 1 49 ? -18.133 -1.005 -3.696 1.00 85.39 49 A 1 ATOM 406 C CB . LEU A 1 49 ? -16.179 0.814 -1.687 1.00 89.90 49 A 1 ATOM 407 C CG . LEU A 1 49 ? -16.120 1.254 -0.211 1.00 85.55 49 A 1 ATOM 408 C CD1 . LEU A 1 49 ? -15.519 2.654 -0.115 1.00 82.71 49 A 1 ATOM 409 C CD2 . LEU A 1 49 ? -17.508 1.279 0.440 1.00 82.60 49 A 1 ATOM 410 N N . ARG A 1 50 ? -15.941 -1.088 -4.243 1.00 88.47 50 A 1 ATOM 411 C CA . ARG A 1 50 ? -16.156 -1.333 -5.682 1.00 85.97 50 A 1 ATOM 412 C C . ARG A 1 50 ? -16.718 -2.722 -5.977 1.00 84.56 50 A 1 ATOM 413 O O . ARG A 1 50 ? -17.617 -2.868 -6.804 1.00 79.45 50 A 1 ATOM 414 C CB . ARG A 1 50 ? -14.831 -1.128 -6.445 1.00 84.45 50 A 1 ATOM 415 C CG . ARG A 1 50 ? -14.379 0.338 -6.448 1.00 79.22 50 A 1 ATOM 416 C CD . ARG A 1 50 ? -13.084 0.489 -7.258 1.00 77.18 50 A 1 ATOM 417 N NE . ARG A 1 50 ? -12.544 1.852 -7.121 1.00 70.33 50 A 1 ATOM 418 C CZ . ARG A 1 50 ? -11.555 2.404 -7.795 1.00 65.91 50 A 1 ATOM 419 N NH1 . ARG A 1 50 ? -10.941 1.805 -8.785 1.00 61.49 50 A 1 ATOM 420 N NH2 . ARG A 1 50 ? -11.151 3.586 -7.453 1.00 55.78 50 A 1 ATOM 421 N N . ARG A 1 51 ? -16.180 -3.763 -5.325 1.00 82.66 51 A 1 ATOM 422 C CA . ARG A 1 51 ? -16.521 -5.171 -5.622 1.00 79.17 51 A 1 ATOM 423 C C . ARG A 1 51 ? -17.614 -5.741 -4.712 1.00 77.86 51 A 1 ATOM 424 O O . ARG A 1 51 ? -18.279 -6.710 -5.086 1.00 70.15 51 A 1 ATOM 425 C CB . ARG A 1 51 ? -15.239 -6.020 -5.587 1.00 75.69 51 A 1 ATOM 426 C CG . ARG A 1 51 ? -14.178 -5.641 -6.646 1.00 69.74 51 A 1 ATOM 427 C CD . ARG A 1 51 ? -14.603 -6.026 -8.079 1.00 67.99 51 A 1 ATOM 428 N NE . ARG A 1 51 ? -13.502 -5.825 -9.045 1.00 62.18 51 A 1 ATOM 429 C CZ . ARG A 1 51 ? -13.313 -6.469 -10.191 1.00 57.52 51 A 1 ATOM 430 N NH1 . ARG A 1 51 ? -14.129 -7.388 -10.624 1.00 52.77 51 A 1 ATOM 431 N NH2 . ARG A 1 51 ? -12.274 -6.201 -10.937 1.00 49.54 51 A 1 ATOM 432 N N . GLY A 1 52 ? -17.822 -5.147 -3.544 1.00 74.41 52 A 1 ATOM 433 C CA . GLY A 1 52 ? -18.717 -5.634 -2.494 1.00 73.24 52 A 1 ATOM 434 C C . GLY A 1 52 ? -18.010 -6.504 -1.446 1.00 73.54 52 A 1 ATOM 435 O O . GLY A 1 52 ? -16.967 -7.110 -1.688 1.00 68.91 52 A 1 ATOM 436 N N . LYS A 1 53 ? -18.583 -6.578 -0.243 1.00 69.90 53 A 1 ATOM 437 C CA . LYS A 1 53 ? -18.031 -7.358 0.873 1.00 68.03 53 A 1 ATOM 438 C C . LYS A 1 53 ? -17.992 -8.849 0.534 1.00 67.29 53 A 1 ATOM 439 O O . LYS A 1 53 ? -18.976 -9.387 0.029 1.00 62.03 53 A 1 ATOM 440 C CB . LYS A 1 53 ? -18.843 -7.073 2.148 1.00 64.87 53 A 1 ATOM 441 C CG . LYS A 1 53 ? -18.202 -7.673 3.413 1.00 59.04 53 A 1 ATOM 442 C CD . LYS A 1 53 ? -19.008 -7.329 4.675 1.00 57.11 53 A 1 ATOM 443 C CE . LYS A 1 53 ? -18.340 -7.947 5.911 1.00 51.60 53 A 1 ATOM 444 N NZ . LYS A 1 53 ? -19.093 -7.667 7.165 1.00 46.64 53 A 1 ATOM 445 N N . GLY A 1 54 ? -16.866 -9.523 0.852 1.00 64.15 54 A 1 ATOM 446 C CA . GLY A 1 54 ? -16.696 -10.968 0.643 1.00 62.51 54 A 1 ATOM 447 C C . GLY A 1 54 ? -16.412 -11.392 -0.803 1.00 64.33 54 A 1 ATOM 448 O O . GLY A 1 54 ? -16.444 -12.586 -1.088 1.00 60.11 54 A 1 ATOM 449 N N . LYS A 1 55 ? -16.138 -10.447 -1.701 1.00 68.05 55 A 1 ATOM 450 C CA . LYS A 1 55 ? -15.631 -10.754 -3.044 1.00 65.45 55 A 1 ATOM 451 C C . LYS A 1 55 ? -14.137 -11.090 -2.989 1.00 64.75 55 A 1 ATOM 452 O O . LYS A 1 55 ? -13.417 -10.560 -2.155 1.00 59.91 55 A 1 ATOM 453 C CB . LYS A 1 55 ? -15.918 -9.590 -3.998 1.00 60.81 55 A 1 ATOM 454 C CG . LYS A 1 55 ? -17.423 -9.358 -4.230 1.00 56.87 55 A 1 ATOM 455 C CD . LYS A 1 55 ? -18.053 -10.424 -5.135 1.00 55.22 55 A 1 ATOM 456 C CE . LYS A 1 55 ? -19.516 -10.058 -5.416 1.00 51.53 55 A 1 ATOM 457 N NZ . LYS A 1 55 ? -20.103 -10.939 -6.453 1.00 47.37 55 A 1 ATOM 458 N N . TYR A 1 56 ? -13.710 -11.969 -3.885 1.00 73.61 56 A 1 ATOM 459 C CA . TYR A 1 56 ? -12.327 -12.421 -4.013 1.00 72.93 56 A 1 ATOM 460 C C . TYR A 1 56 ? -11.406 -11.282 -4.461 1.00 77.01 56 A 1 ATOM 461 O O . TYR A 1 56 ? -11.829 -10.424 -5.238 1.00 71.82 56 A 1 ATOM 462 C CB . TYR A 1 56 ? -12.278 -13.594 -5.007 1.00 64.78 56 A 1 ATOM 463 C CG . TYR A 1 56 ? -13.193 -14.749 -4.635 1.00 57.87 56 A 1 ATOM 464 C CD1 . TYR A 1 56 ? -12.814 -15.643 -3.617 1.00 52.34 56 A 1 ATOM 465 C CD2 . TYR A 1 56 ? -14.432 -14.915 -5.290 1.00 50.26 56 A 1 ATOM 466 C CE1 . TYR A 1 56 ? -13.668 -16.702 -3.254 1.00 42.86 56 A 1 ATOM 467 C CE2 . TYR A 1 56 ? -15.287 -15.973 -4.926 1.00 44.76 56 A 1 ATOM 468 C CZ . TYR A 1 56 ? -14.904 -16.866 -3.909 1.00 42.01 56 A 1 ATOM 469 O OH . TYR A 1 56 ? -15.726 -17.889 -3.558 1.00 39.26 56 A 1 ATOM 470 N N . GLY A 1 57 ? -10.159 -11.306 -3.990 1.00 81.49 57 A 1 ATOM 471 C CA . GLY A 1 57 ? -9.108 -10.362 -4.357 1.00 84.79 57 A 1 ATOM 472 C C . GLY A 1 57 ? -8.163 -10.100 -3.186 1.00 87.93 57 A 1 ATOM 473 O O . GLY A 1 57 ? -8.562 -9.487 -2.194 1.00 86.45 57 A 1 ATOM 474 N N . ASN A 1 58 ? -6.917 -10.570 -3.306 1.00 90.31 58 A 1 ATOM 475 C CA . ASN A 1 58 ? -5.833 -10.278 -2.376 1.00 91.52 58 A 1 ATOM 476 C C . ASN A 1 58 ? -4.976 -9.161 -2.961 1.00 93.21 58 A 1 ATOM 477 O O . ASN A 1 58 ? -4.631 -9.223 -4.140 1.00 92.26 58 A 1 ATOM 478 C CB . ASN A 1 58 ? -5.020 -11.553 -2.122 1.00 89.08 58 A 1 ATOM 479 C CG . ASN A 1 58 ? -5.829 -12.633 -1.433 1.00 82.68 58 A 1 ATOM 480 O OD1 . ASN A 1 58 ? -6.696 -12.387 -0.604 1.00 76.34 58 A 1 ATOM 481 N ND2 . ASN A 1 58 ? -5.585 -13.877 -1.765 1.00 74.23 58 A 1 ATOM 482 N N . LEU A 1 59 ? -4.640 -8.155 -2.156 1.00 90.72 59 A 1 ATOM 483 C CA . LEU A 1 59 ? -3.655 -7.150 -2.547 1.00 92.88 59 A 1 ATOM 484 C C . LEU A 1 59 ? -2.271 -7.807 -2.542 1.00 93.21 59 A 1 ATOM 485 O O . LEU A 1 59 ? -1.864 -8.337 -1.513 1.00 92.67 59 A 1 ATOM 486 C CB . LEU A 1 59 ? -3.726 -5.952 -1.583 1.00 93.41 59 A 1 ATOM 487 C CG . LEU A 1 59 ? -2.761 -4.801 -1.941 1.00 92.99 59 A 1 ATOM 488 C CD1 . LEU A 1 59 ? -3.123 -4.131 -3.262 1.00 89.39 59 A 1 ATOM 489 C CD2 . LEU A 1 59 ? -2.816 -3.718 -0.863 1.00 89.64 59 A 1 ATOM 490 N N . LEU A 1 60 ? -1.575 -7.778 -3.679 1.00 93.48 60 A 1 ATOM 491 C CA . LEU A 1 60 ? -0.222 -8.319 -3.847 1.00 93.78 60 A 1 ATOM 492 C C . LEU A 1 60 ? 0.842 -7.253 -3.605 1.00 94.43 60 A 1 ATOM 493 O O . LEU A 1 60 ? 1.877 -7.523 -3.005 1.00 93.66 60 A 1 ATOM 494 C CB . LEU A 1 60 ? -0.069 -8.883 -5.268 1.00 93.30 60 A 1 ATOM 495 C CG . LEU A 1 60 ? -1.033 -10.018 -5.645 1.00 90.02 60 A 1 ATOM 496 C CD1 . LEU A 1 60 ? -0.699 -10.476 -7.063 1.00 86.48 60 A 1 ATOM 497 C CD2 . LEU A 1 60 ? -0.931 -11.212 -4.698 1.00 86.38 60 A 1 ATOM 498 N N . SER A 1 61 ? 0.590 -6.049 -4.090 1.00 94.60 61 A 1 ATOM 499 C CA . SER A 1 61 ? 1.491 -4.908 -3.972 1.00 95.29 61 A 1 ATOM 500 C C . SER A 1 61 ? 0.734 -3.602 -4.175 1.00 95.33 61 A 1 ATOM 501 O O . SER A 1 61 ? -0.389 -3.596 -4.686 1.00 95.53 61 A 1 ATOM 502 C CB . SER A 1 61 ? 2.631 -5.016 -4.993 1.00 95.13 61 A 1 ATOM 503 O OG . SER A 1 61 ? 2.140 -5.055 -6.317 1.00 94.40 61 A 1 ATOM 504 N N . PHE A 1 62 ? 1.369 -2.491 -3.808 1.00 94.24 62 A 1 ATOM 505 C CA . PHE A 1 62 ? 0.937 -1.165 -4.237 1.00 94.68 62 A 1 ATOM 506 C C . PHE A 1 62 ? 2.139 -0.283 -4.575 1.00 94.66 62 A 1 ATOM 507 O O . PHE A 1 62 ? 3.255 -0.528 -4.127 1.00 94.31 62 A 1 ATOM 508 C CB . PHE A 1 62 ? 0.017 -0.534 -3.182 1.00 94.95 62 A 1 ATOM 509 C CG . PHE A 1 62 ? 0.696 -0.173 -1.875 1.00 95.94 62 A 1 ATOM 510 C CD1 . PHE A 1 62 ? 0.581 -1.022 -0.758 1.00 93.51 62 A 1 ATOM 511 C CD2 . PHE A 1 62 ? 1.433 1.018 -1.768 1.00 93.90 62 A 1 ATOM 512 C CE1 . PHE A 1 62 ? 1.204 -0.682 0.452 1.00 92.74 62 A 1 ATOM 513 C CE2 . PHE A 1 62 ? 2.063 1.358 -0.559 1.00 92.59 62 A 1 ATOM 514 C CZ . PHE A 1 62 ? 1.950 0.508 0.554 1.00 94.73 62 A 1 ATOM 515 N N . ALA A 1 63 ? 1.907 0.757 -5.349 1.00 94.94 63 A 1 ATOM 516 C CA . ALA A 1 63 ? 2.890 1.765 -5.719 1.00 94.58 63 A 1 ATOM 517 C C . ALA A 1 63 ? 2.249 3.155 -5.717 1.00 94.68 63 A 1 ATOM 518 O O . ALA A 1 63 ? 1.025 3.282 -5.831 1.00 94.03 63 A 1 ATOM 519 C CB . ALA A 1 63 ? 3.459 1.404 -7.097 1.00 93.49 63 A 1 ATOM 520 N N . GLU A 1 64 ? 3.077 4.190 -5.605 1.00 93.54 64 A 1 ATOM 521 C CA . GLU A 1 64 ? 2.652 5.551 -5.940 1.00 92.82 64 A 1 ATOM 522 C C . GLU A 1 64 ? 2.274 5.609 -7.422 1.00 91.95 64 A 1 ATOM 523 O O . GLU A 1 64 ? 2.927 5.002 -8.274 1.00 90.72 64 A 1 ATOM 524 C CB . GLU A 1 64 ? 3.769 6.543 -5.598 1.00 91.49 64 A 1 ATOM 525 C CG . GLU A 1 64 ? 3.358 8.005 -5.840 1.00 88.16 64 A 1 ATOM 526 C CD . GLU A 1 64 ? 4.487 9.002 -5.548 1.00 87.35 64 A 1 ATOM 527 O OE1 . GLU A 1 64 ? 4.250 10.216 -5.737 1.00 78.64 64 A 1 ATOM 528 O OE2 . GLU A 1 64 ? 5.586 8.573 -5.127 1.00 80.94 64 A 1 ATOM 529 N N . TYR A 1 65 ? 1.208 6.331 -7.733 1.00 92.37 65 A 1 ATOM 530 C CA . TYR A 1 65 ? 0.715 6.507 -9.088 1.00 90.86 65 A 1 ATOM 531 C C . TYR A 1 65 ? 0.489 7.989 -9.384 1.00 89.68 65 A 1 ATOM 532 O O . TYR A 1 65 ? -0.425 8.617 -8.841 1.00 84.57 65 A 1 ATOM 533 C CB . TYR A 1 65 ? -0.557 5.672 -9.279 1.00 89.07 65 A 1 ATOM 534 C CG . TYR A 1 65 ? -1.092 5.715 -10.696 1.00 86.80 65 A 1 ATOM 535 C CD1 . TYR A 1 65 ? -2.239 6.478 -11.001 1.00 81.54 65 A 1 ATOM 536 C CD2 . TYR A 1 65 ? -0.429 5.015 -11.720 1.00 81.66 65 A 1 ATOM 537 C CE1 . TYR A 1 65 ? -2.723 6.527 -12.321 1.00 77.61 65 A 1 ATOM 538 C CE2 . TYR A 1 65 ? -0.906 5.066 -13.042 1.00 77.98 65 A 1 ATOM 539 C CZ . TYR A 1 65 ? -2.058 5.821 -13.345 1.00 77.74 65 A 1 ATOM 540 O OH . TYR A 1 65 ? -2.525 5.866 -14.623 1.00 76.03 65 A 1 ATOM 541 N N . GLY A 1 66 ? 1.315 8.556 -10.253 1.00 85.38 66 A 1 ATOM 542 C CA . GLY A 1 66 ? 1.247 9.968 -10.619 1.00 81.95 66 A 1 ATOM 543 C C . GLY A 1 66 ? 2.399 10.398 -11.522 1.00 80.72 66 A 1 ATOM 544 O O . GLY A 1 66 ? 3.219 9.582 -11.924 1.00 73.04 66 A 1 ATOM 545 N N . ASP A 1 67 ? 2.430 11.699 -11.841 1.00 71.00 67 A 1 ATOM 546 C CA . ASP A 1 67 ? 3.484 12.304 -12.672 1.00 69.13 67 A 1 ATOM 547 C C . ASP A 1 67 ? 4.729 12.712 -11.857 1.00 69.78 67 A 1 ATOM 548 O O . ASP A 1 67 ? 5.745 13.092 -12.433 1.00 64.57 67 A 1 ATOM 549 C CB . ASP A 1 67 ? 2.908 13.526 -13.416 1.00 63.84 67 A 1 ATOM 550 C CG . ASP A 1 67 ? 1.811 13.207 -14.443 1.00 57.66 67 A 1 ATOM 551 O OD1 . ASP A 1 67 ? 1.872 12.141 -15.097 1.00 54.35 67 A 1 ATOM 552 O OD2 . ASP A 1 67 ? 0.911 14.066 -14.615 1.00 53.59 67 A 1 ATOM 553 N N . GLU A 1 68 ? 4.646 12.672 -10.527 1.00 69.98 68 A 1 ATOM 554 C CA . GLU A 1 68 ? 5.724 13.041 -9.609 1.00 70.38 68 A 1 ATOM 555 C C . GLU A 1 68 ? 6.192 11.799 -8.845 1.00 73.14 68 A 1 ATOM 556 O O . GLU A 1 68 ? 5.413 11.217 -8.102 1.00 66.79 68 A 1 ATOM 557 C CB . GLU A 1 68 ? 5.266 14.151 -8.639 1.00 65.01 68 A 1 ATOM 558 C CG . GLU A 1 68 ? 4.938 15.484 -9.349 1.00 57.36 68 A 1 ATOM 559 C CD . GLU A 1 68 ? 4.580 16.651 -8.409 1.00 53.48 68 A 1 ATOM 560 O OE1 . GLU A 1 68 ? 4.419 17.785 -8.933 1.00 48.93 68 A 1 ATOM 561 O OE2 . GLU A 1 68 ? 4.461 16.459 -7.183 1.00 48.13 68 A 1 ATOM 562 N N . ASP A 1 69 ? 7.478 11.431 -8.999 1.00 75.06 69 A 1 ATOM 563 C CA . ASP A 1 69 ? 8.116 10.377 -8.198 1.00 76.30 69 A 1 ATOM 564 C C . ASP A 1 69 ? 8.478 10.943 -6.811 1.00 79.46 69 A 1 ATOM 565 O O . ASP A 1 69 ? 9.608 11.383 -6.568 1.00 75.10 69 A 1 ATOM 566 C CB . ASP A 1 69 ? 9.365 9.827 -8.920 1.00 70.43 69 A 1 ATOM 567 C CG . ASP A 1 69 ? 9.100 9.089 -10.239 1.00 63.19 69 A 1 ATOM 568 O OD1 . ASP A 1 69 ? 8.074 8.388 -10.347 1.00 57.95 69 A 1 ATOM 569 O OD2 . ASP A 1 69 ? 9.976 9.190 -11.133 1.00 57.37 69 A 1 ATOM 570 N N . VAL A 1 70 ? 7.504 11.011 -5.906 1.00 81.62 70 A 1 ATOM 571 C CA . VAL A 1 70 ? 7.696 11.551 -4.548 1.00 84.57 70 A 1 ATOM 572 C C . VAL A 1 70 ? 8.370 10.525 -3.641 1.00 85.52 70 A 1 ATOM 573 O O . VAL A 1 70 ? 9.223 10.881 -2.817 1.00 82.91 70 A 1 ATOM 574 C CB . VAL A 1 70 ? 6.359 12.019 -3.947 1.00 83.58 70 A 1 ATOM 575 C CG1 . VAL A 1 70 ? 6.549 12.608 -2.547 1.00 79.04 70 A 1 ATOM 576 C CG2 . VAL A 1 70 ? 5.703 13.101 -4.812 1.00 81.02 70 A 1 ATOM 577 N N . LEU A 1 71 ? 8.010 9.250 -3.789 1.00 84.90 71 A 1 ATOM 578 C CA . LEU A 1 71 ? 8.583 8.144 -3.034 1.00 85.90 71 A 1 ATOM 579 C C . LEU A 1 71 ? 9.803 7.556 -3.753 1.00 84.70 71 A 1 ATOM 580 O O . LEU A 1 71 ? 9.808 7.322 -4.958 1.00 82.74 71 A 1 ATOM 581 C CB . LEU A 1 71 ? 7.510 7.080 -2.760 1.00 86.25 71 A 1 ATOM 582 C CG . LEU A 1 71 ? 6.301 7.582 -1.953 1.00 85.56 71 A 1 ATOM 583 C CD1 . LEU A 1 71 ? 5.302 6.444 -1.769 1.00 83.41 71 A 1 ATOM 584 C CD2 . LEU A 1 71 ? 6.694 8.094 -0.563 1.00 84.96 71 A 1 ATOM 585 N N . THR A 1 72 ? 10.851 7.267 -2.973 1.00 81.48 72 A 1 ATOM 586 C CA . THR A 1 72 ? 12.059 6.598 -3.489 1.00 79.05 72 A 1 ATOM 587 C C . THR A 1 72 ? 11.845 5.108 -3.745 1.00 78.18 72 A 1 ATOM 588 O O . THR A 1 72 ? 12.508 4.536 -4.605 1.00 73.38 72 A 1 ATOM 589 C CB . THR A 1 72 ? 13.247 6.769 -2.538 1.00 76.89 72 A 1 ATOM 590 O OG1 . THR A 1 72 ? 12.961 6.308 -1.244 1.00 72.79 72 A 1 ATOM 591 C CG2 . THR A 1 72 ? 13.674 8.235 -2.417 1.00 71.42 72 A 1 ATOM 592 N N . ASP A 1 73 ? 10.938 4.477 -2.993 1.00 74.07 73 A 1 ATOM 593 C CA . ASP A 1 73 ? 10.547 3.083 -3.188 1.00 72.67 73 A 1 ATOM 594 C C . ASP A 1 73 ? 9.365 3.042 -4.158 1.00 73.66 73 A 1 ATOM 595 O O . ASP A 1 73 ? 8.302 3.608 -3.901 1.00 70.84 73 A 1 ATOM 596 C CB . ASP A 1 73 ? 10.232 2.412 -1.847 1.00 68.97 73 A 1 ATOM 597 C CG . ASP A 1 73 ? 11.445 2.350 -0.908 1.00 64.03 73 A 1 ATOM 598 O OD1 . ASP A 1 73 ? 12.596 2.144 -1.362 1.00 61.24 73 A 1 ATOM 599 O OD2 . ASP A 1 73 ? 11.275 2.559 0.310 1.00 61.18 73 A 1 ATOM 600 N N . THR A 1 74 ? 9.563 2.373 -5.290 1.00 79.19 74 A 1 ATOM 601 C CA . THR A 1 74 ? 8.591 2.391 -6.396 1.00 79.65 74 A 1 ATOM 602 C C . THR A 1 74 ? 7.420 1.432 -6.198 1.00 84.70 74 A 1 ATOM 603 O O . THR A 1 74 ? 6.400 1.570 -6.862 1.00 82.18 74 A 1 ATOM 604 C CB . THR A 1 74 ? 9.286 2.068 -7.724 1.00 71.99 74 A 1 ATOM 605 O OG1 . THR A 1 74 ? 9.964 0.829 -7.641 1.00 64.45 74 A 1 ATOM 606 C CG2 . THR A 1 74 ? 10.329 3.125 -8.095 1.00 61.87 74 A 1 ATOM 607 N N . THR A 1 75 ? 7.577 0.428 -5.337 1.00 88.56 75 A 1 ATOM 608 C CA . THR A 1 75 ? 6.553 -0.602 -5.091 1.00 91.02 75 A 1 ATOM 609 C C . THR A 1 75 ? 6.731 -1.183 -3.696 1.00 92.03 75 A 1 ATOM 610 O O . THR A 1 75 ? 7.849 -1.499 -3.309 1.00 91.11 75 A 1 ATOM 611 C CB . THR A 1 75 ? 6.645 -1.741 -6.119 1.00 90.51 75 A 1 ATOM 612 O OG1 . THR A 1 75 ? 6.530 -1.229 -7.427 1.00 85.95 75 A 1 ATOM 613 C CG2 . THR A 1 75 ? 5.535 -2.783 -5.975 1.00 85.10 75 A 1 ATOM 614 N N . TYR A 1 76 ? 5.618 -1.381 -2.990 1.00 90.63 76 A 1 ATOM 615 C CA . TYR A 1 76 ? 5.542 -2.044 -1.692 1.00 91.18 76 A 1 ATOM 616 C C . TYR A 1 76 ? 4.835 -3.386 -1.866 1.00 91.67 76 A 1 ATOM 617 O O . TYR A 1 76 ? 3.683 -3.430 -2.308 1.00 91.78 76 A 1 ATOM 618 C CB . TYR A 1 76 ? 4.799 -1.150 -0.699 1.00 91.85 76 A 1 ATOM 619 C CG . TYR A 1 76 ? 5.538 0.134 -0.373 1.00 90.91 76 A 1 ATOM 620 C CD1 . TYR A 1 76 ? 6.388 0.190 0.747 1.00 86.77 76 A 1 ATOM 621 C CD2 . TYR A 1 76 ? 5.410 1.263 -1.212 1.00 88.36 76 A 1 ATOM 622 C CE1 . TYR A 1 76 ? 7.109 1.367 1.033 1.00 85.32 76 A 1 ATOM 623 C CE2 . TYR A 1 76 ? 6.136 2.436 -0.934 1.00 86.01 76 A 1 ATOM 624 C CZ . TYR A 1 76 ? 6.988 2.488 0.192 1.00 88.61 76 A 1 ATOM 625 O OH . TYR A 1 76 ? 7.704 3.615 0.456 1.00 86.64 76 A 1 ATOM 626 N N . TRP A 1 77 ? 5.522 -4.484 -1.537 1.00 92.45 77 A 1 ATOM 627 C CA . TRP A 1 77 ? 5.023 -5.846 -1.703 1.00 92.78 77 A 1 ATOM 628 C C . TRP A 1 77 ? 4.392 -6.366 -0.415 1.00 92.78 77 A 1 ATOM 629 O O . TRP A 1 77 ? 4.859 -6.087 0.684 1.00 92.15 77 A 1 ATOM 630 C CB . TRP A 1 77 ? 6.150 -6.760 -2.180 1.00 92.21 77 A 1 ATOM 631 C CG . TRP A 1 77 ? 6.682 -6.401 -3.531 1.00 90.71 77 A 1 ATOM 632 C CD1 . TRP A 1 77 ? 7.717 -5.569 -3.774 1.00 87.29 77 A 1 ATOM 633 C CD2 . TRP A 1 77 ? 6.180 -6.811 -4.839 1.00 90.36 77 A 1 ATOM 634 N NE1 . TRP A 1 77 ? 7.892 -5.425 -5.136 1.00 82.82 77 A 1 ATOM 635 C CE2 . TRP A 1 77 ? 6.966 -6.175 -5.843 1.00 86.52 77 A 1 ATOM 636 C CE3 . TRP A 1 77 ? 5.131 -7.647 -5.278 1.00 83.35 77 A 1 ATOM 637 C CZ2 . TRP A 1 77 ? 6.722 -6.351 -7.211 1.00 84.75 77 A 1 ATOM 638 C CZ3 . TRP A 1 77 ? 4.880 -7.836 -6.648 1.00 82.66 77 A 1 ATOM 639 C CH2 . TRP A 1 77 ? 5.672 -7.186 -7.618 1.00 80.95 77 A 1 ATOM 640 N N . TYR A 1 78 ? 3.351 -7.172 -0.549 1.00 89.86 78 A 1 ATOM 641 C CA . TYR A 1 78 ? 2.640 -7.693 0.618 1.00 88.92 78 A 1 ATOM 642 C C . TYR A 1 78 ? 3.558 -8.478 1.568 1.00 88.52 78 A 1 ATOM 643 O O . TYR A 1 78 ? 3.571 -8.207 2.764 1.00 89.94 78 A 1 ATOM 644 C CB . TYR A 1 78 ? 1.447 -8.544 0.166 1.00 89.58 78 A 1 ATOM 645 C CG . TYR A 1 78 ? 0.639 -9.076 1.334 1.00 88.35 78 A 1 ATOM 646 C CD1 . TYR A 1 78 ? 0.890 -10.366 1.843 1.00 85.91 78 A 1 ATOM 647 C CD2 . TYR A 1 78 ? -0.320 -8.254 1.960 1.00 86.77 78 A 1 ATOM 648 C CE1 . TYR A 1 78 ? 0.190 -10.831 2.976 1.00 81.74 78 A 1 ATOM 649 C CE2 . TYR A 1 78 ? -1.019 -8.713 3.092 1.00 82.08 78 A 1 ATOM 650 C CZ . TYR A 1 78 ? -0.759 -10.000 3.603 1.00 82.41 78 A 1 ATOM 651 O OH . TYR A 1 78 ? -1.416 -10.439 4.713 1.00 81.23 78 A 1 ATOM 652 N N . GLU A 1 79 ? 4.345 -9.420 1.039 1.00 88.96 79 A 1 ATOM 653 C CA . GLU A 1 79 ? 5.215 -10.284 1.850 1.00 89.18 79 A 1 ATOM 654 C C . GLU A 1 79 ? 6.479 -9.567 2.355 1.00 89.61 79 A 1 ATOM 655 O O . GLU A 1 79 ? 7.001 -9.917 3.412 1.00 88.79 79 A 1 ATOM 656 C CB . GLU A 1 79 ? 5.630 -11.505 1.017 1.00 90.14 79 A 1 ATOM 657 C CG . GLU A 1 79 ? 4.458 -12.406 0.584 1.00 86.55 79 A 1 ATOM 658 C CD . GLU A 1 79 ? 3.748 -13.150 1.729 1.00 81.01 79 A 1 ATOM 659 O OE1 . GLU A 1 79 ? 2.622 -13.648 1.475 1.00 72.28 79 A 1 ATOM 660 O OE2 . GLU A 1 79 ? 4.331 -13.278 2.825 1.00 73.64 79 A 1 ATOM 661 N N . GLU A 1 80 ? 7.002 -8.591 1.601 1.00 90.32 80 A 1 ATOM 662 C CA . GLU A 1 80 ? 8.295 -7.953 1.886 1.00 90.08 80 A 1 ATOM 663 C C . GLU A 1 80 ? 8.152 -6.677 2.723 1.00 91.25 80 A 1 ATOM 664 O O . GLU A 1 80 ? 9.033 -6.382 3.529 1.00 90.30 80 A 1 ATOM 665 C CB . GLU A 1 80 ? 9.045 -7.666 0.571 1.00 90.93 80 A 1 ATOM 666 C CG . GLU A 1 80 ? 9.377 -8.964 -0.197 1.00 87.05 80 A 1 ATOM 667 C CD . GLU A 1 80 ? 10.167 -8.754 -1.499 1.00 82.67 80 A 1 ATOM 668 O OE1 . GLU A 1 80 ? 10.398 -9.783 -2.189 1.00 74.21 80 A 1 ATOM 669 O OE2 . GLU A 1 80 ? 10.555 -7.613 -1.821 1.00 74.79 80 A 1 ATOM 670 N N . ASP A 1 81 ? 7.041 -5.962 2.582 1.00 91.46 81 A 1 ATOM 671 C CA . ASP A 1 81 ? 6.846 -4.648 3.194 1.00 90.45 81 A 1 ATOM 672 C C . ASP A 1 81 ? 5.612 -4.600 4.104 1.00 91.38 81 A 1 ATOM 673 O O . ASP A 1 81 ? 5.710 -4.212 5.272 1.00 92.10 81 A 1 ATOM 674 C CB . ASP A 1 81 ? 6.746 -3.587 2.091 1.00 90.01 81 A 1 ATOM 675 C CG . ASP A 1 81 ? 7.947 -3.600 1.141 1.00 88.03 81 A 1 ATOM 676 O OD1 . ASP A 1 81 ? 9.035 -3.174 1.583 1.00 85.34 81 A 1 ATOM 677 O OD2 . ASP A 1 81 ? 7.742 -3.995 -0.027 1.00 86.07 81 A 1 ATOM 678 N N . ILE A 1 82 ? 4.451 -5.017 3.603 1.00 88.25 82 A 1 ATOM 679 C CA . ILE A 1 82 ? 3.172 -4.831 4.300 1.00 88.65 82 A 1 ATOM 680 C C . ILE A 1 82 ? 3.067 -5.760 5.512 1.00 88.85 82 A 1 ATOM 681 O O . ILE A 1 82 ? 2.750 -5.299 6.607 1.00 90.04 82 A 1 ATOM 682 C CB . ILE A 1 82 ? 1.976 -5.023 3.340 1.00 90.90 82 A 1 ATOM 683 C CG1 . ILE A 1 82 ? 2.052 -4.038 2.149 1.00 91.06 82 A 1 ATOM 684 C CG2 . ILE A 1 82 ? 0.647 -4.853 4.099 1.00 90.16 82 A 1 ATOM 685 C CD1 . ILE A 1 82 ? 1.069 -4.341 1.013 1.00 88.35 82 A 1 ATOM 686 N N . LEU A 1 83 ? 3.336 -7.061 5.335 1.00 89.99 83 A 1 ATOM 687 C CA . LEU A 1 83 ? 3.284 -8.032 6.428 1.00 88.98 83 A 1 ATOM 688 C C . LEU A 1 83 ? 4.319 -7.712 7.528 1.00 89.38 83 A 1 ATOM 689 O O . LEU A 1 83 ? 3.911 -7.595 8.683 1.00 92.26 83 A 1 ATOM 690 C CB . LEU A 1 83 ? 3.384 -9.459 5.850 1.00 90.73 83 A 1 ATOM 691 C CG . LEU A 1 83 ? 3.341 -10.575 6.898 1.00 82.42 83 A 1 ATOM 692 C CD1 . LEU A 1 83 ? 1.982 -10.626 7.607 1.00 77.51 83 A 1 ATOM 693 C CD2 . LEU A 1 83 ? 3.568 -11.925 6.217 1.00 80.79 83 A 1 ATOM 694 N N . PRO A 1 84 ? 5.605 -7.432 7.214 1.00 91.80 84 A 1 ATOM 695 C CA . PRO A 1 84 ? 6.562 -6.992 8.231 1.00 90.50 84 A 1 ATOM 696 C C . PRO A 1 84 ? 6.179 -5.679 8.926 1.00 90.94 84 A 1 ATOM 697 O O . PRO A 1 84 ? 6.461 -5.521 10.110 1.00 91.38 84 A 1 ATOM 698 C CB . PRO A 1 84 ? 7.900 -6.846 7.499 1.00 90.49 84 A 1 ATOM 699 C CG . PRO A 1 84 ? 7.772 -7.826 6.342 1.00 90.04 84 A 1 ATOM 700 C CD . PRO A 1 84 ? 6.308 -7.677 5.958 1.00 92.06 84 A 1 ATOM 701 N N . ALA A 1 85 ? 5.545 -4.733 8.230 1.00 90.00 85 A 1 ATOM 702 C CA . ALA A 1 85 ? 5.048 -3.509 8.854 1.00 88.70 85 A 1 ATOM 703 C C . ALA A 1 85 ? 3.918 -3.799 9.853 1.00 88.90 85 A 1 ATOM 704 O O . ALA A 1 85 ? 3.902 -3.220 10.938 1.00 91.11 85 A 1 ATOM 705 C CB . ALA A 1 85 ? 4.602 -2.525 7.766 1.00 89.94 85 A 1 ATOM 706 N N . GLN A 1 86 ? 3.005 -4.715 9.525 1.00 90.08 86 A 1 ATOM 707 C CA . GLN A 1 86 ? 1.960 -5.173 10.448 1.00 87.81 86 A 1 ATOM 708 C C . GLN A 1 86 ? 2.568 -5.799 11.704 1.00 87.78 86 A 1 ATOM 709 O O . GLN A 1 86 ? 2.238 -5.362 12.808 1.00 89.66 86 A 1 ATOM 710 C CB . GLN A 1 86 ? 1.011 -6.171 9.756 1.00 88.96 86 A 1 ATOM 711 C CG . GLN A 1 86 ? 0.130 -5.465 8.722 1.00 84.43 86 A 1 ATOM 712 C CD . GLN A 1 86 ? -0.817 -6.386 7.966 1.00 82.14 86 A 1 ATOM 713 O OE1 . GLN A 1 86 ? -0.562 -7.526 7.631 1.00 78.81 86 A 1 ATOM 714 N NE2 . GLN A 1 86 ? -1.993 -5.897 7.625 1.00 73.92 86 A 1 ATOM 715 N N . ASP A 1 87 ? 3.501 -6.743 11.539 1.00 88.72 87 A 1 ATOM 716 C CA . ASP A 1 87 ? 4.157 -7.433 12.654 1.00 89.41 87 A 1 ATOM 717 C C . ASP A 1 87 ? 4.859 -6.434 13.594 1.00 89.59 87 A 1 ATOM 718 O O . ASP A 1 87 ? 4.669 -6.481 14.812 1.00 89.09 87 A 1 ATOM 719 C CB . ASP A 1 87 ? 5.169 -8.462 12.115 1.00 90.92 87 A 1 ATOM 720 C CG . ASP A 1 87 ? 4.558 -9.661 11.370 1.00 88.46 87 A 1 ATOM 721 O OD1 . ASP A 1 87 ? 3.342 -9.923 11.514 1.00 84.37 87 A 1 ATOM 722 O OD2 . ASP A 1 87 ? 5.336 -10.355 10.671 1.00 85.34 87 A 1 ATOM 723 N N . ARG A 1 88 ? 5.599 -5.463 13.048 1.00 90.57 88 A 1 ATOM 724 C CA . ARG A 1 88 ? 6.290 -4.434 13.850 1.00 89.33 88 A 1 ATOM 725 C C . ARG A 1 88 ? 5.334 -3.539 14.635 1.00 88.86 88 A 1 ATOM 726 O O . ARG A 1 88 ? 5.679 -3.135 15.743 1.00 90.12 88 A 1 ATOM 727 C CB . ARG A 1 88 ? 7.177 -3.557 12.951 1.00 91.21 88 A 1 ATOM 728 C CG . ARG A 1 88 ? 8.456 -4.281 12.510 1.00 91.01 88 A 1 ATOM 729 C CD . ARG A 1 88 ? 9.428 -3.328 11.804 1.00 88.84 88 A 1 ATOM 730 N NE . ARG A 1 88 ? 8.888 -2.772 10.545 1.00 84.36 88 A 1 ATOM 731 C CZ . ARG A 1 88 ? 8.959 -3.291 9.334 1.00 78.10 88 A 1 ATOM 732 N NH1 . ARG A 1 88 ? 9.502 -4.448 9.100 1.00 72.62 88 A 1 ATOM 733 N NH2 . ARG A 1 88 ? 8.489 -2.629 8.313 1.00 72.01 88 A 1 ATOM 734 N N . LEU A 1 89 ? 4.177 -3.207 14.077 1.00 89.23 89 A 1 ATOM 735 C CA . LEU A 1 89 ? 3.175 -2.385 14.760 1.00 88.07 89 A 1 ATOM 736 C C . LEU A 1 89 ? 2.400 -3.168 15.829 1.00 87.69 89 A 1 ATOM 737 O O . LEU A 1 89 ? 1.974 -2.570 16.812 1.00 88.35 89 A 1 ATOM 738 C CB . LEU A 1 89 ? 2.219 -1.769 13.727 1.00 89.67 89 A 1 ATOM 739 C CG . LEU A 1 89 ? 2.852 -0.685 12.832 1.00 86.09 89 A 1 ATOM 740 C CD1 . LEU A 1 89 ? 1.829 -0.252 11.784 1.00 82.28 89 A 1 ATOM 741 C CD2 . LEU A 1 89 ? 3.282 0.556 13.612 1.00 85.82 89 A 1 ATOM 742 N N . GLU A 1 90 ? 2.238 -4.483 15.670 1.00 89.83 90 A 1 ATOM 743 C CA . GLU A 1 90 ? 1.602 -5.346 16.677 1.00 89.60 90 A 1 ATOM 744 C C . GLU A 1 90 ? 2.506 -5.610 17.897 1.00 89.77 90 A 1 ATOM 745 O O . GLU A 1 90 ? 2.004 -5.922 18.977 1.00 87.22 90 A 1 ATOM 746 C CB . GLU A 1 90 ? 1.164 -6.676 16.039 1.00 89.48 90 A 1 ATOM 747 C CG . GLU A 1 90 ? -0.062 -6.519 15.122 1.00 83.63 90 A 1 ATOM 748 C CD . GLU A 1 90 ? -0.614 -7.849 14.569 1.00 79.41 90 A 1 ATOM 749 O OE1 . GLU A 1 90 ? -1.587 -7.778 13.776 1.00 72.25 90 A 1 ATOM 750 O OE2 . GLU A 1 90 ? -0.165 -8.938 14.999 1.00 73.41 90 A 1 ATOM 751 N N . GLU A 1 91 ? 3.833 -5.480 17.743 1.00 86.99 91 A 1 ATOM 752 C CA . GLU A 1 91 ? 4.818 -5.677 18.820 1.00 87.30 91 A 1 ATOM 753 C C . GLU A 1 91 ? 5.033 -4.440 19.722 1.00 86.47 91 A 1 ATOM 754 O O . GLU A 1 91 ? 5.756 -4.540 20.722 1.00 81.79 91 A 1 ATOM 755 C CB . GLU A 1 91 ? 6.154 -6.145 18.214 1.00 87.55 91 A 1 ATOM 756 C CG . GLU A 1 91 ? 6.110 -7.605 17.714 1.00 80.97 91 A 1 ATOM 757 C CD . GLU A 1 91 ? 7.464 -8.117 17.163 1.00 76.99 91 A 1 ATOM 758 O OE1 . GLU A 1 91 ? 7.536 -9.330 16.848 1.00 70.36 91 A 1 ATOM 759 O OE2 . GLU A 1 91 ? 8.454 -7.346 17.130 1.00 72.80 91 A 1 ATOM 760 N N . LEU A 1 92 ? 4.436 -3.285 19.397 1.00 87.79 92 A 1 ATOM 761 C CA . LEU A 1 92 ? 4.538 -2.024 20.158 1.00 86.25 92 A 1 ATOM 762 C C . LEU A 1 92 ? 3.463 -1.899 21.255 1.00 81.73 92 A 1 ATOM 763 O O . LEU A 1 92 ? 3.801 -1.358 22.333 1.00 75.72 92 A 1 ATOM 764 C CB . LEU A 1 92 ? 4.464 -0.830 19.181 1.00 82.98 92 A 1 ATOM 765 C CG . LEU A 1 92 ? 5.684 -0.643 18.264 1.00 77.06 92 A 1 ATOM 766 C CD1 . LEU A 1 92 ? 5.400 0.483 17.262 1.00 74.62 92 A 1 ATOM 767 C CD2 . LEU A 1 92 ? 6.936 -0.256 19.055 1.00 75.55 92 A 1 ATOM 768 O OXT . LEU A 1 92 ? 2.304 -2.286 20.989 1.00 69.67 92 A 1 #