# 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_acrvia4_plus # _entry.id acrvia4_plus # 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 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ASP 2 1 n LYS 3 1 n ALA 4 1 n ASN 5 1 n ARG 6 1 n CYS 7 1 n LEU 8 1 n LYS 9 1 n ALA 10 1 n LYS 11 1 n ASP 12 1 n LYS 13 1 n ILE 14 1 n LEU 15 1 n ASN 16 1 n ILE 17 1 n LEU 18 1 n GLU 19 1 n LYS 20 1 n GLU 21 1 n GLU 22 1 n ILE 23 1 n THR 24 1 n LEU 25 1 n ASP 26 1 n GLU 27 1 n PHE 28 1 n ASN 29 1 n ASN 30 1 n ILE 31 1 n SER 32 1 n LYS 33 1 n ASP 34 1 n ILE 35 1 n ALA 36 1 n LYS 37 1 n GLU 38 1 n TYR 39 1 n VAL 40 1 n GLU 41 1 n LYS 42 1 n ALA 43 1 n VAL 44 1 n LEU 45 1 n LYS 46 1 n PRO 47 1 n LYS 48 1 n ASP 49 1 n ILE 50 1 n ALA 51 1 n GLU 52 1 n ARG 53 1 n ILE 54 1 n ILE 55 1 n ASN 56 1 n MET 57 1 n VAL 58 1 n LYS 59 1 n ASN 60 1 n ALA 61 1 n LYS 62 1 n SER 63 1 n ILE 64 1 n SER 65 1 n PHE 66 1 n ASP 67 1 n GLU 68 1 n LEU 69 1 n ALA 70 1 n SER 71 1 n GLU 72 1 n ILE 73 1 n SER 74 1 n GLU 75 1 n GLU 76 # _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 01:01:04)" _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 73.61 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 67.97 1 1 A ASP 2 2 76.81 1 2 A LYS 3 2 79.62 1 3 A ALA 4 2 87.49 1 4 A ASN 5 2 79.84 1 5 A ARG 6 2 77.15 1 6 A CYS 7 2 82.32 1 7 A LEU 8 2 78.38 1 8 A LYS 9 2 81.44 1 9 A ALA 10 2 86.65 1 10 A LYS 11 2 78.94 1 11 A ASP 12 2 83.96 1 12 A LYS 13 2 83.98 1 13 A ILE 14 2 83.59 1 14 A LEU 15 2 83.22 1 15 A ASN 16 2 85.72 1 16 A ILE 17 2 86.44 1 17 A LEU 18 2 84.63 1 18 A GLU 19 2 82.51 1 19 A LYS 20 2 85.41 1 20 A GLU 21 2 86.02 1 21 A GLU 22 2 84.65 1 22 A ILE 23 2 85.45 1 23 A THR 24 2 86.12 1 24 A LEU 25 2 80.89 1 25 A ASP 26 2 81.13 1 26 A GLU 27 2 84.08 1 27 A PHE 28 2 81.20 1 28 A ASN 29 2 80.33 1 29 A ASN 30 2 82.34 1 30 A ILE 31 2 78.52 1 31 A SER 32 2 77.44 1 32 A LYS 33 2 77.64 1 33 A ASP 34 2 80.28 1 34 A ILE 35 2 80.51 1 35 A ALA 36 2 80.11 1 36 A LYS 37 2 75.54 1 37 A GLU 38 2 73.75 1 38 A TYR 39 2 65.05 1 39 A VAL 40 2 73.91 1 40 A GLU 41 2 73.77 1 41 A LYS 42 2 71.96 1 42 A ALA 43 2 69.29 1 43 A VAL 44 2 65.70 1 44 A LEU 45 2 56.92 1 45 A LYS 46 2 61.67 1 46 A PRO 47 2 64.90 1 47 A LYS 48 2 67.37 1 48 A ASP 49 2 68.18 1 49 A ILE 50 2 68.17 1 50 A ALA 51 2 75.38 1 51 A GLU 52 2 71.60 1 52 A ARG 53 2 65.70 1 53 A ILE 54 2 70.63 1 54 A ILE 55 2 72.53 1 55 A ASN 56 2 71.44 1 56 A MET 57 2 68.66 1 57 A VAL 58 2 70.18 1 58 A LYS 59 2 71.51 1 59 A ASN 60 2 72.39 1 60 A ALA 61 2 68.28 1 61 A LYS 62 2 57.68 1 62 A SER 63 2 59.89 1 63 A ILE 64 2 54.54 1 64 A SER 65 2 63.05 1 65 A PHE 66 2 63.02 1 66 A ASP 67 2 68.94 1 67 A GLU 68 2 63.10 1 68 A LEU 69 2 63.23 1 69 A ALA 70 2 72.06 1 70 A SER 71 2 68.56 1 71 A GLU 72 2 60.50 1 72 A ILE 73 2 62.67 1 73 A SER 74 2 64.80 1 74 A GLU 75 2 59.91 1 75 A GLU 76 2 48.60 1 76 # _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 ASP . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LYS . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n LYS . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n THR . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n ASP . 26 A 26 A 27 1 n GLU . 27 A 27 A 28 1 n PHE . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n SER . 32 A 32 A 33 1 n LYS . 33 A 33 A 34 1 n ASP . 34 A 34 A 35 1 n ILE . 35 A 35 A 36 1 n ALA . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n TYR . 39 A 39 A 40 1 n VAL . 40 A 40 A 41 1 n GLU . 41 A 41 A 42 1 n LYS . 42 A 42 A 43 1 n ALA . 43 A 43 A 44 1 n VAL . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n LYS . 46 A 46 A 47 1 n PRO . 47 A 47 A 48 1 n LYS . 48 A 48 A 49 1 n ASP . 49 A 49 A 50 1 n ILE . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n GLU . 52 A 52 A 53 1 n ARG . 53 A 53 A 54 1 n ILE . 54 A 54 A 55 1 n ILE . 55 A 55 A 56 1 n ASN . 56 A 56 A 57 1 n MET . 57 A 57 A 58 1 n VAL . 58 A 58 A 59 1 n LYS . 59 A 59 A 60 1 n ASN . 60 A 60 A 61 1 n ALA . 61 A 61 A 62 1 n LYS . 62 A 62 A 63 1 n SER . 63 A 63 A 64 1 n ILE . 64 A 64 A 65 1 n SER . 65 A 65 A 66 1 n PHE . 66 A 66 A 67 1 n ASP . 67 A 67 A 68 1 n GLU . 68 A 68 A 69 1 n LEU . 69 A 69 A 70 1 n ALA . 70 A 70 A 71 1 n SER . 71 A 71 A 72 1 n GLU . 72 A 72 A 73 1 n ILE . 73 A 73 A 74 1 n SER . 74 A 74 A 75 1 n GLU . 75 A 75 A 76 1 n GLU . 76 A 76 # _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 ? -28.045 4.015 11.981 1.00 70.52 1 A 1 ATOM 2 C CA . MET A 1 1 ? -27.472 5.381 11.996 1.00 77.53 1 A 1 ATOM 3 C C . MET A 1 1 ? -27.052 5.718 10.579 1.00 77.79 1 A 1 ATOM 4 O O . MET A 1 1 ? -26.302 4.935 9.992 1.00 74.23 1 A 1 ATOM 5 C CB . MET A 1 1 ? -26.285 5.478 12.966 1.00 71.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? -26.127 6.890 13.552 1.00 62.55 1 A 1 ATOM 7 S SD . MET A 1 1 ? -24.756 7.027 14.738 1.00 58.23 1 A 1 ATOM 8 C CE . MET A 1 1 ? -25.588 7.890 16.095 1.00 51.90 1 A 1 ATOM 9 N N . ASP A 1 2 ? -27.579 6.792 10.024 1.00 82.99 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -27.353 7.174 8.633 1.00 85.23 2 A 1 ATOM 11 C C . ASP A 1 2 ? -25.873 7.522 8.385 1.00 86.39 2 A 1 ATOM 12 O O . ASP A 1 2 ? -25.173 8.011 9.279 1.00 83.35 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -28.317 8.324 8.283 1.00 79.86 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -28.230 8.768 6.826 1.00 69.00 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -27.689 7.971 6.020 1.00 64.13 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -28.593 9.929 6.575 1.00 63.55 2 A 1 ATOM 17 N N . LYS A 1 3 ? -25.372 7.244 7.172 1.00 85.92 3 A 1 ATOM 18 C CA . LYS A 1 3 ? -23.978 7.479 6.764 1.00 86.90 3 A 1 ATOM 19 C C . LYS A 1 3 ? -23.581 8.947 6.951 1.00 85.19 3 A 1 ATOM 20 O O . LYS A 1 3 ? -22.487 9.210 7.450 1.00 85.59 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -23.796 6.998 5.311 1.00 86.84 3 A 1 ATOM 22 C CG . LYS A 1 3 ? -22.339 7.048 4.824 1.00 78.66 3 A 1 ATOM 23 C CD . LYS A 1 3 ? -22.235 6.530 3.378 1.00 75.07 3 A 1 ATOM 24 C CE . LYS A 1 3 ? -20.791 6.612 2.866 1.00 70.03 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? -20.680 6.187 1.445 1.00 62.39 3 A 1 ATOM 26 N N . ALA A 1 4 ? -24.480 9.882 6.650 1.00 88.35 4 A 1 ATOM 27 C CA . ALA A 1 4 ? -24.276 11.318 6.829 1.00 87.93 4 A 1 ATOM 28 C C . ALA A 1 4 ? -24.000 11.684 8.298 1.00 88.02 4 A 1 ATOM 29 O O . ALA A 1 4 ? -23.002 12.340 8.601 1.00 85.90 4 A 1 ATOM 30 C CB . ALA A 1 4 ? -25.511 12.044 6.280 1.00 87.24 4 A 1 ATOM 31 N N . ASN A 1 5 ? -24.792 11.165 9.242 1.00 85.69 5 A 1 ATOM 32 C CA . ASN A 1 5 ? -24.613 11.407 10.676 1.00 85.15 5 A 1 ATOM 33 C C . ASN A 1 5 ? -23.294 10.836 11.215 1.00 84.43 5 A 1 ATOM 34 O O . ASN A 1 5 ? -22.674 11.416 12.106 1.00 84.82 5 A 1 ATOM 35 C CB . ASN A 1 5 ? -25.817 10.812 11.423 1.00 84.20 5 A 1 ATOM 36 C CG . ASN A 1 5 ? -27.052 11.686 11.308 1.00 76.24 5 A 1 ATOM 37 O OD1 . ASN A 1 5 ? -26.968 12.884 11.132 1.00 70.01 5 A 1 ATOM 38 N ND2 . ASN A 1 5 ? -28.232 11.131 11.440 1.00 68.14 5 A 1 ATOM 39 N N . ARG A 1 6 ? -22.830 9.691 10.683 1.00 87.05 6 A 1 ATOM 40 C CA . ARG A 1 6 ? -21.521 9.118 11.037 1.00 87.08 6 A 1 ATOM 41 C C . ARG A 1 6 ? -20.372 9.997 10.546 1.00 87.02 6 A 1 ATOM 42 O O . ARG A 1 6 ? -19.422 10.195 11.296 1.00 87.27 6 A 1 ATOM 43 C CB . ARG A 1 6 ? -21.388 7.694 10.483 1.00 87.81 6 A 1 ATOM 44 C CG . ARG A 1 6 ? -22.321 6.700 11.198 1.00 81.45 6 A 1 ATOM 45 C CD . ARG A 1 6 ? -22.229 5.294 10.574 1.00 79.07 6 A 1 ATOM 46 N NE . ARG A 1 6 ? -20.874 4.723 10.698 1.00 70.78 6 A 1 ATOM 47 C CZ . ARG A 1 6 ? -20.423 3.625 10.106 1.00 64.96 6 A 1 ATOM 48 N NH1 . ARG A 1 6 ? -21.176 2.903 9.330 1.00 61.54 6 A 1 ATOM 49 N NH2 . ARG A 1 6 ? -19.190 3.234 10.289 1.00 54.67 6 A 1 ATOM 50 N N . CYS A 1 7 ? -20.473 10.534 9.327 1.00 86.28 7 A 1 ATOM 51 C CA . CYS A 1 7 ? -19.476 11.444 8.767 1.00 84.60 7 A 1 ATOM 52 C C . CYS A 1 7 ? -19.400 12.765 9.548 1.00 83.63 7 A 1 ATOM 53 O O . CYS A 1 7 ? -18.301 13.214 9.846 1.00 85.57 7 A 1 ATOM 54 C CB . CYS A 1 7 ? -19.785 11.702 7.286 1.00 82.97 7 A 1 ATOM 55 S SG . CYS A 1 7 ? -19.506 10.186 6.311 1.00 70.86 7 A 1 ATOM 56 N N . LEU A 1 8 ? -20.537 13.342 9.944 1.00 80.89 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -20.570 14.558 10.766 1.00 80.08 8 A 1 ATOM 58 C C . LEU A 1 8 ? -19.870 14.345 12.114 1.00 79.85 8 A 1 ATOM 59 O O . LEU A 1 8 ? -18.943 15.081 12.440 1.00 82.89 8 A 1 ATOM 60 C CB . LEU A 1 8 ? -22.028 15.015 10.960 1.00 82.63 8 A 1 ATOM 61 C CG . LEU A 1 8 ? -22.669 15.622 9.696 1.00 75.51 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? -24.169 15.814 9.919 1.00 71.88 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? -22.059 16.978 9.333 1.00 73.30 8 A 1 ATOM 64 N N . LYS A 1 9 ? -20.188 13.271 12.842 1.00 86.54 9 A 1 ATOM 65 C CA . LYS A 1 9 ? -19.515 12.938 14.110 1.00 86.09 9 A 1 ATOM 66 C C . LYS A 1 9 ? -18.010 12.709 13.957 1.00 85.86 9 A 1 ATOM 67 O O . LYS A 1 9 ? -17.247 13.016 14.869 1.00 86.69 9 A 1 ATOM 68 C CB . LYS A 1 9 ? -20.146 11.690 14.730 1.00 86.94 9 A 1 ATOM 69 C CG . LYS A 1 9 ? -21.540 11.978 15.286 1.00 81.58 9 A 1 ATOM 70 C CD . LYS A 1 9 ? -22.101 10.730 15.970 1.00 79.00 9 A 1 ATOM 71 C CE . LYS A 1 9 ? -23.460 11.083 16.565 1.00 72.95 9 A 1 ATOM 72 N NZ . LYS A 1 9 ? -23.963 10.007 17.450 1.00 67.29 9 A 1 ATOM 73 N N . ALA A 1 10 ? -17.579 12.113 12.847 1.00 88.75 10 A 1 ATOM 74 C CA . ALA A 1 10 ? -16.160 11.929 12.557 1.00 86.65 10 A 1 ATOM 75 C C . ALA A 1 10 ? -15.472 13.274 12.292 1.00 86.42 10 A 1 ATOM 76 O O . ALA A 1 10 ? -14.396 13.515 12.829 1.00 85.18 10 A 1 ATOM 77 C CB . ALA A 1 10 ? -16.010 10.963 11.377 1.00 86.24 10 A 1 ATOM 78 N N . LYS A 1 11 ? -16.123 14.160 11.525 1.00 86.82 11 A 1 ATOM 79 C CA . LYS A 1 11 ? -15.639 15.516 11.260 1.00 84.26 11 A 1 ATOM 80 C C . LYS A 1 11 ? -15.440 16.303 12.555 1.00 84.38 11 A 1 ATOM 81 O O . LYS A 1 11 ? -14.360 16.844 12.753 1.00 86.11 11 A 1 ATOM 82 C CB . LYS A 1 11 ? -16.608 16.223 10.300 1.00 83.22 11 A 1 ATOM 83 C CG . LYS A 1 11 ? -16.122 17.629 9.932 1.00 78.62 11 A 1 ATOM 84 C CD . LYS A 1 11 ? -17.148 18.374 9.074 1.00 75.65 11 A 1 ATOM 85 C CE . LYS A 1 11 ? -16.628 19.797 8.847 1.00 69.24 11 A 1 ATOM 86 N NZ . LYS A 1 11 ? -17.602 20.642 8.117 1.00 62.16 11 A 1 ATOM 87 N N . ASP A 1 12 ? -16.420 16.303 13.469 1.00 84.71 12 A 1 ATOM 88 C CA . ASP A 1 12 ? -16.328 17.028 14.741 1.00 86.51 12 A 1 ATOM 89 C C . ASP A 1 12 ? -15.155 16.528 15.598 1.00 86.77 12 A 1 ATOM 90 O O . ASP A 1 12 ? -14.408 17.315 16.175 1.00 86.37 12 A 1 ATOM 91 C CB . ASP A 1 12 ? -17.643 16.887 15.522 1.00 87.16 12 A 1 ATOM 92 C CG . ASP A 1 12 ? -18.866 17.462 14.804 1.00 82.84 12 A 1 ATOM 93 O OD1 . ASP A 1 12 ? -18.691 18.334 13.921 1.00 78.31 12 A 1 ATOM 94 O OD2 . ASP A 1 12 ? -19.978 16.972 15.113 1.00 78.98 12 A 1 ATOM 95 N N . LYS A 1 13 ? -14.935 15.205 15.640 1.00 89.46 13 A 1 ATOM 96 C CA . LYS A 1 13 ? -13.778 14.624 16.337 1.00 88.71 13 A 1 ATOM 97 C C . LYS A 1 13 ? -12.449 15.054 15.723 1.00 88.52 13 A 1 ATOM 98 O O . LYS A 1 13 ? -11.517 15.331 16.468 1.00 88.64 13 A 1 ATOM 99 C CB . LYS A 1 13 ? -13.863 13.099 16.354 1.00 90.78 13 A 1 ATOM 100 C CG . LYS A 1 13 ? -14.922 12.601 17.337 1.00 84.69 13 A 1 ATOM 101 C CD . LYS A 1 13 ? -14.911 11.073 17.353 1.00 81.55 13 A 1 ATOM 102 C CE . LYS A 1 13 ? -15.927 10.557 18.367 1.00 75.31 13 A 1 ATOM 103 N NZ . LYS A 1 13 ? -15.776 9.095 18.576 1.00 68.19 13 A 1 ATOM 104 N N . ILE A 1 14 ? -12.354 15.077 14.397 1.00 88.27 14 A 1 ATOM 105 C CA . ILE A 1 14 ? -11.143 15.521 13.693 1.00 86.40 14 A 1 ATOM 106 C C . ILE A 1 14 ? -10.878 16.994 14.005 1.00 87.16 14 A 1 ATOM 107 O O . ILE A 1 14 ? -9.769 17.318 14.410 1.00 87.22 14 A 1 ATOM 108 C CB . ILE A 1 14 ? -11.253 15.243 12.175 1.00 84.86 14 A 1 ATOM 109 C CG1 . ILE A 1 14 ? -11.203 13.718 11.910 1.00 80.80 14 A 1 ATOM 110 C CG2 . ILE A 1 14 ? -10.125 15.946 11.395 1.00 78.76 14 A 1 ATOM 111 C CD1 . ILE A 1 14 ? -11.656 13.324 10.502 1.00 75.26 14 A 1 ATOM 112 N N . LEU A 1 15 ? -11.890 17.864 13.906 1.00 84.27 15 A 1 ATOM 113 C CA . LEU A 1 15 ? -11.741 19.291 14.208 1.00 84.77 15 A 1 ATOM 114 C C . LEU A 1 15 ? -11.261 19.528 15.646 1.00 87.22 15 A 1 ATOM 115 O O . LEU A 1 15 ? -10.315 20.277 15.844 1.00 88.18 15 A 1 ATOM 116 C CB . LEU A 1 15 ? -13.071 20.017 13.947 1.00 85.42 15 A 1 ATOM 117 C CG . LEU A 1 15 ? -13.462 20.119 12.460 1.00 81.06 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? -14.861 20.724 12.341 1.00 77.20 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? -12.496 20.990 11.656 1.00 77.66 15 A 1 ATOM 120 N N . ASN A 1 16 ? -11.814 18.808 16.631 1.00 88.14 16 A 1 ATOM 121 C CA . ASN A 1 16 ? -11.369 18.899 18.025 1.00 89.30 16 A 1 ATOM 122 C C . ASN A 1 16 ? -9.912 18.450 18.234 1.00 89.51 16 A 1 ATOM 123 O O . ASN A 1 16 ? -9.264 18.892 19.181 1.00 90.21 16 A 1 ATOM 124 C CB . ASN A 1 16 ? -12.279 18.022 18.897 1.00 91.05 16 A 1 ATOM 125 C CG . ASN A 1 16 ? -13.690 18.556 19.066 1.00 83.63 16 A 1 ATOM 126 O OD1 . ASN A 1 16 ? -14.032 19.678 18.771 1.00 76.81 16 A 1 ATOM 127 N ND2 . ASN A 1 16 ? -14.581 17.756 19.597 1.00 77.09 16 A 1 ATOM 128 N N . ILE A 1 17 ? -9.410 17.508 17.440 1.00 87.74 17 A 1 ATOM 129 C CA . ILE A 1 17 ? -8.003 17.083 17.493 1.00 86.79 17 A 1 ATOM 130 C C . ILE A 1 17 ? -7.123 18.164 16.868 1.00 87.70 17 A 1 ATOM 131 O O . ILE A 1 17 ? -6.148 18.564 17.489 1.00 88.04 17 A 1 ATOM 132 C CB . ILE A 1 17 ? -7.806 15.704 16.823 1.00 88.16 17 A 1 ATOM 133 C CG1 . ILE A 1 17 ? -8.489 14.599 17.662 1.00 85.85 17 A 1 ATOM 134 C CG2 . ILE A 1 17 ? -6.307 15.379 16.651 1.00 84.85 17 A 1 ATOM 135 C CD1 . ILE A 1 17 ? -8.665 13.273 16.911 1.00 82.40 17 A 1 ATOM 136 N N . LEU A 1 18 ? -7.490 18.669 15.694 1.00 85.92 18 A 1 ATOM 137 C CA . LEU A 1 18 ? -6.735 19.716 15.005 1.00 86.16 18 A 1 ATOM 138 C C . LEU A 1 18 ? -6.634 20.992 15.848 1.00 88.06 18 A 1 ATOM 139 O O . LEU A 1 18 ? -5.555 21.560 15.943 1.00 88.87 18 A 1 ATOM 140 C CB . LEU A 1 18 ? -7.381 20.016 13.643 1.00 86.87 18 A 1 ATOM 141 C CG . LEU A 1 18 ? -7.367 18.854 12.632 1.00 83.69 18 A 1 ATOM 142 C CD1 . LEU A 1 18 ? -8.055 19.292 11.340 1.00 78.12 18 A 1 ATOM 143 C CD2 . LEU A 1 18 ? -5.959 18.372 12.295 1.00 79.36 18 A 1 ATOM 144 N N . GLU A 1 19 ? -7.716 21.387 16.526 1.00 88.89 19 A 1 ATOM 145 C CA . GLU A 1 19 ? -7.725 22.544 17.429 1.00 89.29 19 A 1 ATOM 146 C C . GLU A 1 19 ? -6.762 22.365 18.611 1.00 89.70 19 A 1 ATOM 147 O O . GLU A 1 19 ? -6.046 23.295 18.969 1.00 90.03 19 A 1 ATOM 148 C CB . GLU A 1 19 ? -9.168 22.762 17.908 1.00 90.69 19 A 1 ATOM 149 C CG . GLU A 1 19 ? -9.350 24.038 18.749 1.00 79.79 19 A 1 ATOM 150 C CD . GLU A 1 19 ? -10.814 24.284 19.158 1.00 73.93 19 A 1 ATOM 151 O OE1 . GLU A 1 19 ? -11.116 25.414 19.593 1.00 69.21 19 A 1 ATOM 152 O OE2 . GLU A 1 19 ? -11.644 23.345 19.054 1.00 71.05 19 A 1 ATOM 153 N N . LYS A 1 20 ? -6.680 21.163 19.203 1.00 91.70 20 A 1 ATOM 154 C CA . LYS A 1 20 ? -5.741 20.868 20.302 1.00 91.77 20 A 1 ATOM 155 C C . LYS A 1 20 ? -4.280 20.902 19.870 1.00 91.87 20 A 1 ATOM 156 O O . LYS A 1 20 ? -3.429 21.241 20.684 1.00 91.96 20 A 1 ATOM 157 C CB . LYS A 1 20 ? -6.035 19.493 20.889 1.00 92.24 20 A 1 ATOM 158 C CG . LYS A 1 20 ? -7.292 19.514 21.751 1.00 84.76 20 A 1 ATOM 159 C CD . LYS A 1 20 ? -7.559 18.088 22.226 1.00 81.54 20 A 1 ATOM 160 C CE . LYS A 1 20 ? -8.814 18.084 23.085 1.00 74.28 20 A 1 ATOM 161 N NZ . LYS A 1 20 ? -9.017 16.741 23.663 1.00 68.61 20 A 1 ATOM 162 N N . GLU A 1 21 ? -4.004 20.505 18.641 1.00 90.90 21 A 1 ATOM 163 C CA . GLU A 1 21 ? -2.662 20.498 18.058 1.00 89.97 21 A 1 ATOM 164 C C . GLU A 1 21 ? -2.318 21.827 17.353 1.00 91.07 21 A 1 ATOM 165 O O . GLU A 1 21 ? -1.263 21.936 16.739 1.00 89.11 21 A 1 ATOM 166 C CB . GLU A 1 21 ? -2.534 19.302 17.098 1.00 90.48 21 A 1 ATOM 167 C CG . GLU A 1 21 ? -2.762 17.926 17.749 1.00 86.05 21 A 1 ATOM 168 C CD . GLU A 1 21 ? -1.757 17.552 18.855 1.00 84.20 21 A 1 ATOM 169 O OE1 . GLU A 1 21 ? -2.186 16.824 19.790 1.00 76.24 21 A 1 ATOM 170 O OE2 . GLU A 1 21 ? -0.578 17.937 18.748 1.00 76.13 21 A 1 ATOM 171 N N . GLU A 1 22 ? -3.221 22.829 17.431 1.00 89.70 22 A 1 ATOM 172 C CA . GLU A 1 22 ? -3.088 24.141 16.777 1.00 89.71 22 A 1 ATOM 173 C C . GLU A 1 22 ? -2.873 24.057 15.249 1.00 89.57 22 A 1 ATOM 174 O O . GLU A 1 22 ? -2.217 24.900 14.643 1.00 87.17 22 A 1 ATOM 175 C CB . GLU A 1 22 ? -2.037 25.013 17.495 1.00 90.91 22 A 1 ATOM 176 C CG . GLU A 1 22 ? -2.349 25.218 18.992 1.00 85.00 22 A 1 ATOM 177 C CD . GLU A 1 22 ? -1.347 26.146 19.706 1.00 78.94 22 A 1 ATOM 178 O OE1 . GLU A 1 22 ? -1.661 26.560 20.849 1.00 74.05 22 A 1 ATOM 179 O OE2 . GLU A 1 22 ? -0.275 26.456 19.134 1.00 76.81 22 A 1 ATOM 180 N N . ILE A 1 23 ? -3.440 23.018 14.609 1.00 88.73 23 A 1 ATOM 181 C CA . ILE A 1 23 ? -3.346 22.781 13.162 1.00 87.39 23 A 1 ATOM 182 C C . ILE A 1 23 ? -4.661 23.182 12.499 1.00 87.03 23 A 1 ATOM 183 O O . ILE A 1 23 ? -5.739 22.710 12.864 1.00 85.86 23 A 1 ATOM 184 C CB . ILE A 1 23 ? -2.975 21.313 12.858 1.00 87.20 23 A 1 ATOM 185 C CG1 . ILE A 1 23 ? -1.607 20.946 13.470 1.00 83.96 23 A 1 ATOM 186 C CG2 . ILE A 1 23 ? -2.949 21.049 11.341 1.00 82.27 23 A 1 ATOM 187 C CD1 . ILE A 1 23 ? -1.285 19.450 13.441 1.00 81.18 23 A 1 ATOM 188 N N . THR A 1 24 ? -4.597 24.008 11.462 1.00 88.11 24 A 1 ATOM 189 C CA . THR A 1 24 ? -5.781 24.347 10.662 1.00 86.93 24 A 1 ATOM 190 C C . THR A 1 24 ? -6.200 23.188 9.755 1.00 86.06 24 A 1 ATOM 191 O O . THR A 1 24 ? -5.407 22.330 9.358 1.00 85.33 24 A 1 ATOM 192 C CB . THR A 1 24 ? -5.584 25.621 9.834 1.00 87.87 24 A 1 ATOM 193 O OG1 . THR A 1 24 ? -4.625 25.408 8.837 1.00 85.37 24 A 1 ATOM 194 C CG2 . THR A 1 24 ? -5.179 26.831 10.674 1.00 83.19 24 A 1 ATOM 195 N N . LEU A 1 25 ? -7.478 23.165 9.358 1.00 86.78 25 A 1 ATOM 196 C CA . LEU A 1 25 ? -7.985 22.143 8.435 1.00 85.24 25 A 1 ATOM 197 C C . LEU A 1 25 ? -7.281 22.202 7.067 1.00 85.86 25 A 1 ATOM 198 O O . LEU A 1 25 ? -7.079 21.166 6.429 1.00 85.47 25 A 1 ATOM 199 C CB . LEU A 1 25 ? -9.510 22.318 8.297 1.00 84.07 25 A 1 ATOM 200 C CG . LEU A 1 25 ? -10.190 21.256 7.410 1.00 76.13 25 A 1 ATOM 201 C CD1 . LEU A 1 25 ? -10.057 19.843 7.989 1.00 71.30 25 A 1 ATOM 202 C CD2 . LEU A 1 25 ? -11.679 21.577 7.274 1.00 72.24 25 A 1 ATOM 203 N N . ASP A 1 26 ? -6.899 23.395 6.619 1.00 84.30 26 A 1 ATOM 204 C CA . ASP A 1 26 ? -6.193 23.576 5.348 1.00 85.70 26 A 1 ATOM 205 C C . ASP A 1 26 ? -4.764 23.034 5.411 1.00 86.83 26 A 1 ATOM 206 O O . ASP A 1 26 ? -4.348 22.310 4.504 1.00 86.90 26 A 1 ATOM 207 C CB . ASP A 1 26 ? -6.225 25.058 4.940 1.00 86.40 26 A 1 ATOM 208 C CG . ASP A 1 26 ? -7.617 25.524 4.495 1.00 77.85 26 A 1 ATOM 209 O OD1 . ASP A 1 26 ? -8.413 24.665 4.035 1.00 70.08 26 A 1 ATOM 210 O OD2 . ASP A 1 26 ? -7.876 26.742 4.595 1.00 70.95 26 A 1 ATOM 211 N N . GLU A 1 27 ? -4.038 23.285 6.505 1.00 87.07 27 A 1 ATOM 212 C CA . GLU A 1 27 ? -2.716 22.686 6.737 1.00 87.56 27 A 1 ATOM 213 C C . GLU A 1 27 ? -2.797 21.163 6.785 1.00 87.39 27 A 1 ATOM 214 O O . GLU A 1 27 ? -2.049 20.484 6.074 1.00 85.68 27 A 1 ATOM 215 C CB . GLU A 1 27 ? -2.129 23.207 8.051 1.00 88.95 27 A 1 ATOM 216 C CG . GLU A 1 27 ? -1.652 24.656 7.912 1.00 84.10 27 A 1 ATOM 217 C CD . GLU A 1 27 ? -1.430 25.324 9.270 1.00 82.28 27 A 1 ATOM 218 O OE1 . GLU A 1 27 ? -0.524 26.170 9.349 1.00 75.93 27 A 1 ATOM 219 O OE2 . GLU A 1 27 ? -2.244 25.043 10.181 1.00 77.79 27 A 1 ATOM 220 N N . PHE A 1 28 ? -3.759 20.606 7.532 1.00 86.36 28 A 1 ATOM 221 C CA . PHE A 1 28 ? -3.969 19.161 7.593 1.00 85.91 28 A 1 ATOM 222 C C . PHE A 1 28 ? -4.248 18.557 6.208 1.00 86.60 28 A 1 ATOM 223 O O . PHE A 1 28 ? -3.684 17.520 5.848 1.00 85.44 28 A 1 ATOM 224 C CB . PHE A 1 28 ? -5.127 18.864 8.555 1.00 85.09 28 A 1 ATOM 225 C CG . PHE A 1 28 ? -5.455 17.388 8.630 1.00 83.17 28 A 1 ATOM 226 C CD1 . PHE A 1 28 ? -6.543 16.862 7.906 1.00 76.97 28 A 1 ATOM 227 C CD2 . PHE A 1 28 ? -4.635 16.528 9.381 1.00 77.30 28 A 1 ATOM 228 C CE1 . PHE A 1 28 ? -6.813 15.483 7.943 1.00 74.54 28 A 1 ATOM 229 C CE2 . PHE A 1 28 ? -4.900 15.148 9.416 1.00 75.41 28 A 1 ATOM 230 C CZ . PHE A 1 28 ? -5.992 14.626 8.698 1.00 76.45 28 A 1 ATOM 231 N N . ASN A 1 29 ? -5.096 19.210 5.406 1.00 83.80 29 A 1 ATOM 232 C CA . ASN A 1 29 ? -5.407 18.750 4.052 1.00 84.03 29 A 1 ATOM 233 C C . ASN A 1 29 ? -4.185 18.795 3.124 1.00 84.42 29 A 1 ATOM 234 O O . ASN A 1 29 ? -4.012 17.885 2.308 1.00 83.98 29 A 1 ATOM 235 C CB . ASN A 1 29 ? -6.542 19.611 3.475 1.00 84.04 29 A 1 ATOM 236 C CG . ASN A 1 29 ? -7.914 19.260 4.023 1.00 79.15 29 A 1 ATOM 237 O OD1 . ASN A 1 29 ? -8.239 18.122 4.318 1.00 72.17 29 A 1 ATOM 238 N ND2 . ASN A 1 29 ? -8.799 20.229 4.100 1.00 71.01 29 A 1 ATOM 239 N N . ASN A 1 30 ? -3.344 19.824 3.231 1.00 82.96 30 A 1 ATOM 240 C CA . ASN A 1 30 ? -2.134 19.947 2.422 1.00 85.36 30 A 1 ATOM 241 C C . ASN A 1 30 ? -1.099 18.884 2.804 1.00 84.12 30 A 1 ATOM 242 O O . ASN A 1 30 ? -0.662 18.133 1.929 1.00 82.59 30 A 1 ATOM 243 C CB . ASN A 1 30 ? -1.599 21.381 2.537 1.00 87.24 30 A 1 ATOM 244 C CG . ASN A 1 30 ? -2.490 22.388 1.825 1.00 83.52 30 A 1 ATOM 245 O OD1 . ASN A 1 30 ? -3.226 22.073 0.895 1.00 77.66 30 A 1 ATOM 246 N ND2 . ASN A 1 30 ? -2.437 23.635 2.236 1.00 75.30 30 A 1 ATOM 247 N N . ILE A 1 31 ? -0.815 18.714 4.097 1.00 83.94 31 A 1 ATOM 248 C CA . ILE A 1 31 ? 0.088 17.665 4.601 1.00 82.88 31 A 1 ATOM 249 C C . ILE A 1 31 ? -0.399 16.277 4.170 1.00 83.06 31 A 1 ATOM 250 O O . ILE A 1 31 ? 0.378 15.456 3.684 1.00 81.61 31 A 1 ATOM 251 C CB . ILE A 1 31 ? 0.197 17.774 6.139 1.00 83.28 31 A 1 ATOM 252 C CG1 . ILE A 1 31 ? 0.906 19.089 6.543 1.00 74.69 31 A 1 ATOM 253 C CG2 . ILE A 1 31 ? 0.947 16.566 6.731 1.00 71.41 31 A 1 ATOM 254 C CD1 . ILE A 1 31 ? 0.745 19.438 8.028 1.00 67.31 31 A 1 ATOM 255 N N . SER A 1 32 ? -1.708 16.012 4.281 1.00 80.64 32 A 1 ATOM 256 C CA . SER A 1 32 ? -2.284 14.726 3.873 1.00 79.16 32 A 1 ATOM 257 C C . SER A 1 32 ? -2.099 14.450 2.376 1.00 78.85 32 A 1 ATOM 258 O O . SER A 1 32 ? -1.835 13.310 1.987 1.00 79.54 32 A 1 ATOM 259 C CB . SER A 1 32 ? -3.777 14.670 4.209 1.00 78.09 32 A 1 ATOM 260 O OG . SER A 1 32 ? -3.994 14.774 5.601 1.00 68.37 32 A 1 ATOM 261 N N . LYS A 1 33 ? -2.235 15.476 1.524 1.00 80.59 33 A 1 ATOM 262 C CA . LYS A 1 33 ? -1.989 15.354 0.080 1.00 81.85 33 A 1 ATOM 263 C C . LYS A 1 33 ? -0.519 15.077 -0.219 1.00 81.38 33 A 1 ATOM 264 O O . LYS A 1 33 ? -0.240 14.213 -1.052 1.00 81.31 33 A 1 ATOM 265 C CB . LYS A 1 33 ? -2.420 16.632 -0.647 1.00 83.34 33 A 1 ATOM 266 C CG . LYS A 1 33 ? -3.944 16.766 -0.780 1.00 79.33 33 A 1 ATOM 267 C CD . LYS A 1 33 ? -4.252 18.174 -1.301 1.00 76.41 33 A 1 ATOM 268 C CE . LYS A 1 33 ? -5.756 18.442 -1.339 1.00 70.90 33 A 1 ATOM 269 N NZ . LYS A 1 33 ? -6.003 19.875 -1.633 1.00 63.69 33 A 1 ATOM 270 N N . ASP A 1 34 ? 0.393 15.760 0.461 1.00 82.82 34 A 1 ATOM 271 C CA . ASP A 1 34 ? 1.831 15.582 0.266 1.00 83.20 34 A 1 ATOM 272 C C . ASP A 1 34 ? 2.277 14.174 0.671 1.00 82.85 34 A 1 ATOM 273 O O . ASP A 1 34 ? 2.955 13.495 -0.104 1.00 81.40 34 A 1 ATOM 274 C CB . ASP A 1 34 ? 2.597 16.668 1.035 1.00 84.48 34 A 1 ATOM 275 C CG . ASP A 1 34 ? 2.405 18.072 0.446 1.00 80.12 34 A 1 ATOM 276 O OD1 . ASP A 1 34 ? 2.027 18.168 -0.751 1.00 73.14 34 A 1 ATOM 277 O OD2 . ASP A 1 34 ? 2.661 19.041 1.190 1.00 74.22 34 A 1 ATOM 278 N N . ILE A 1 35 ? 1.804 13.677 1.813 1.00 82.20 35 A 1 ATOM 279 C CA . ILE A 1 35 ? 2.040 12.297 2.254 1.00 82.28 35 A 1 ATOM 280 C C . ILE A 1 35 ? 1.483 11.306 1.226 1.00 81.10 35 A 1 ATOM 281 O O . ILE A 1 35 ? 2.187 10.394 0.794 1.00 80.67 35 A 1 ATOM 282 C CB . ILE A 1 35 ? 1.434 12.068 3.659 1.00 83.66 35 A 1 ATOM 283 C CG1 . ILE A 1 35 ? 2.204 12.891 4.720 1.00 81.08 35 A 1 ATOM 284 C CG2 . ILE A 1 35 ? 1.450 10.579 4.042 1.00 78.29 35 A 1 ATOM 285 C CD1 . ILE A 1 35 ? 1.531 12.919 6.097 1.00 74.77 35 A 1 ATOM 286 N N . ALA A 1 36 ? 0.228 11.484 0.791 1.00 80.52 36 A 1 ATOM 287 C CA . ALA A 1 36 ? -0.376 10.593 -0.201 1.00 80.18 36 A 1 ATOM 288 C C . ALA A 1 36 ? 0.413 10.579 -1.521 1.00 80.06 36 A 1 ATOM 289 O O . ALA A 1 36 ? 0.633 9.510 -2.098 1.00 79.18 36 A 1 ATOM 290 C CB . ALA A 1 36 ? -1.833 11.018 -0.426 1.00 80.59 36 A 1 ATOM 291 N N . LYS A 1 37 ? 0.874 11.742 -1.977 1.00 80.47 37 A 1 ATOM 292 C CA . LYS A 1 37 ? 1.700 11.875 -3.175 1.00 80.31 37 A 1 ATOM 293 C C . LYS A 1 37 ? 3.030 11.141 -3.022 1.00 78.86 37 A 1 ATOM 294 O O . LYS A 1 37 ? 3.378 10.353 -3.902 1.00 79.34 37 A 1 ATOM 295 C CB . LYS A 1 37 ? 1.889 13.365 -3.472 1.00 81.05 37 A 1 ATOM 296 C CG . LYS A 1 37 ? 2.636 13.586 -4.788 1.00 75.46 37 A 1 ATOM 297 C CD . LYS A 1 37 ? 2.832 15.086 -5.027 1.00 74.13 37 A 1 ATOM 298 C CE . LYS A 1 37 ? 3.706 15.263 -6.265 1.00 68.47 37 A 1 ATOM 299 N NZ . LYS A 1 37 ? 4.122 16.671 -6.438 1.00 61.76 37 A 1 ATOM 300 N N . GLU A 1 38 ? 3.724 11.315 -1.903 1.00 79.26 38 A 1 ATOM 301 C CA . GLU A 1 38 ? 4.990 10.631 -1.623 1.00 79.16 38 A 1 ATOM 302 C C . GLU A 1 38 ? 4.827 9.101 -1.620 1.00 78.97 38 A 1 ATOM 303 O O . GLU A 1 38 ? 5.631 8.377 -2.219 1.00 78.09 38 A 1 ATOM 304 C CB . GLU A 1 38 ? 5.538 11.130 -0.272 1.00 81.14 38 A 1 ATOM 305 C CG . GLU A 1 38 ? 6.967 10.629 -0.037 1.00 71.18 38 A 1 ATOM 306 C CD . GLU A 1 38 ? 7.529 10.964 1.353 1.00 67.81 38 A 1 ATOM 307 O OE1 . GLU A 1 38 ? 8.580 10.357 1.680 1.00 63.73 38 A 1 ATOM 308 O OE2 . GLU A 1 38 ? 6.922 11.736 2.108 1.00 64.44 38 A 1 ATOM 309 N N . TYR A 1 39 ? 3.759 8.589 -1.003 1.00 76.20 39 A 1 ATOM 310 C CA . TYR A 1 39 ? 3.464 7.153 -1.021 1.00 74.96 39 A 1 ATOM 311 C C . TYR A 1 39 ? 3.189 6.627 -2.431 1.00 74.33 39 A 1 ATOM 312 O O . TYR A 1 39 ? 3.688 5.563 -2.795 1.00 73.82 39 A 1 ATOM 313 C CB . TYR A 1 39 ? 2.277 6.840 -0.095 1.00 74.51 39 A 1 ATOM 314 C CG . TYR A 1 39 ? 2.691 6.561 1.338 1.00 65.72 39 A 1 ATOM 315 C CD1 . TYR A 1 39 ? 3.250 5.315 1.674 1.00 60.68 39 A 1 ATOM 316 C CD2 . TYR A 1 39 ? 2.523 7.540 2.334 1.00 59.71 39 A 1 ATOM 317 C CE1 . TYR A 1 39 ? 3.649 5.052 2.999 1.00 55.30 39 A 1 ATOM 318 C CE2 . TYR A 1 39 ? 2.923 7.287 3.658 1.00 57.37 39 A 1 ATOM 319 C CZ . TYR A 1 39 ? 3.486 6.042 3.991 1.00 54.32 39 A 1 ATOM 320 O OH . TYR A 1 39 ? 3.875 5.794 5.273 1.00 53.72 39 A 1 ATOM 321 N N . VAL A 1 40 ? 2.419 7.365 -3.235 1.00 76.31 40 A 1 ATOM 322 C CA . VAL A 1 40 ? 2.139 6.980 -4.625 1.00 76.22 40 A 1 ATOM 323 C C . VAL A 1 40 ? 3.423 6.992 -5.454 1.00 75.40 40 A 1 ATOM 324 O O . VAL A 1 40 ? 3.699 6.013 -6.145 1.00 73.69 40 A 1 ATOM 325 C CB . VAL A 1 40 ? 1.047 7.879 -5.236 1.00 76.32 40 A 1 ATOM 326 C CG1 . VAL A 1 40 ? 0.874 7.658 -6.747 1.00 68.79 40 A 1 ATOM 327 C CG2 . VAL A 1 40 ? -0.315 7.584 -4.589 1.00 70.61 40 A 1 ATOM 328 N N . GLU A 1 41 ? 4.239 8.030 -5.357 1.00 77.90 41 A 1 ATOM 329 C CA . GLU A 1 41 ? 5.499 8.140 -6.102 1.00 78.12 41 A 1 ATOM 330 C C . GLU A 1 41 ? 6.493 7.026 -5.737 1.00 76.13 41 A 1 ATOM 331 O O . GLU A 1 41 ? 7.169 6.489 -6.617 1.00 73.53 41 A 1 ATOM 332 C CB . GLU A 1 41 ? 6.126 9.525 -5.865 1.00 78.90 41 A 1 ATOM 333 C CG . GLU A 1 41 ? 5.372 10.632 -6.621 1.00 73.64 41 A 1 ATOM 334 C CD . GLU A 1 41 ? 5.947 12.047 -6.396 1.00 70.38 41 A 1 ATOM 335 O OE1 . GLU A 1 41 ? 5.400 12.990 -7.017 1.00 67.02 41 A 1 ATOM 336 O OE2 . GLU A 1 41 ? 6.917 12.206 -5.626 1.00 68.30 41 A 1 ATOM 337 N N . LYS A 1 42 ? 6.544 6.620 -4.464 1.00 77.98 42 A 1 ATOM 338 C CA . LYS A 1 42 ? 7.370 5.491 -4.009 1.00 76.50 42 A 1 ATOM 339 C C . LYS A 1 42 ? 6.821 4.128 -4.438 1.00 74.67 42 A 1 ATOM 340 O O . LYS A 1 42 ? 7.602 3.199 -4.651 1.00 71.37 42 A 1 ATOM 341 C CB . LYS A 1 42 ? 7.522 5.545 -2.479 1.00 76.44 42 A 1 ATOM 342 C CG . LYS A 1 42 ? 8.487 6.657 -2.039 1.00 72.58 42 A 1 ATOM 343 C CD . LYS A 1 42 ? 8.574 6.728 -0.508 1.00 71.17 42 A 1 ATOM 344 C CE . LYS A 1 42 ? 9.555 7.833 -0.105 1.00 66.14 42 A 1 ATOM 345 N NZ . LYS A 1 42 ? 9.591 8.041 1.365 1.00 60.75 42 A 1 ATOM 346 N N . ALA A 1 43 ? 5.500 3.986 -4.536 1.00 72.45 43 A 1 ATOM 347 C CA . ALA A 1 43 ? 4.842 2.727 -4.887 1.00 69.96 43 A 1 ATOM 348 C C . ALA A 1 43 ? 4.763 2.479 -6.403 1.00 69.18 43 A 1 ATOM 349 O O . ALA A 1 43 ? 4.714 1.325 -6.840 1.00 66.37 43 A 1 ATOM 350 C CB . ALA A 1 43 ? 3.449 2.725 -4.246 1.00 68.49 43 A 1 ATOM 351 N N . VAL A 1 44 ? 4.750 3.542 -7.218 1.00 68.92 44 A 1 ATOM 352 C CA . VAL A 1 44 ? 4.691 3.434 -8.676 1.00 69.43 44 A 1 ATOM 353 C C . VAL A 1 44 ? 6.086 3.126 -9.225 1.00 68.85 44 A 1 ATOM 354 O O . VAL A 1 44 ? 6.912 4.007 -9.446 1.00 64.66 44 A 1 ATOM 355 C CB . VAL A 1 44 ? 4.040 4.686 -9.311 1.00 68.04 44 A 1 ATOM 356 C CG1 . VAL A 1 44 ? 4.055 4.634 -10.845 1.00 59.71 44 A 1 ATOM 357 C CG2 . VAL A 1 44 ? 2.560 4.784 -8.907 1.00 60.32 44 A 1 ATOM 358 N N . LEU A 1 45 ? 6.337 1.851 -9.506 1.00 61.51 45 A 1 ATOM 359 C CA . LEU A 1 45 ? 7.465 1.438 -10.334 1.00 61.11 45 A 1 ATOM 360 C C . LEU A 1 45 ? 7.300 2.003 -11.747 1.00 60.80 45 A 1 ATOM 361 O O . LEU A 1 45 ? 6.220 1.908 -12.339 1.00 58.19 45 A 1 ATOM 362 C CB . LEU A 1 45 ? 7.561 -0.092 -10.370 1.00 58.80 45 A 1 ATOM 363 C CG . LEU A 1 45 ? 7.995 -0.719 -9.034 1.00 53.76 45 A 1 ATOM 364 C CD1 . LEU A 1 45 ? 7.790 -2.235 -9.088 1.00 50.54 45 A 1 ATOM 365 C CD2 . LEU A 1 45 ? 9.470 -0.453 -8.730 1.00 50.65 45 A 1 ATOM 366 N N . LYS A 1 46 ? 8.371 2.553 -12.322 1.00 67.49 46 A 1 ATOM 367 C CA . LYS A 1 46 ? 8.324 3.024 -13.706 1.00 68.06 46 A 1 ATOM 368 C C . LYS A 1 46 ? 8.056 1.834 -14.637 1.00 67.94 46 A 1 ATOM 369 O O . LYS A 1 46 ? 8.607 0.756 -14.415 1.00 65.81 46 A 1 ATOM 370 C CB . LYS A 1 46 ? 9.621 3.758 -14.075 1.00 65.01 46 A 1 ATOM 371 C CG . LYS A 1 46 ? 9.776 5.065 -13.284 1.00 59.86 46 A 1 ATOM 372 C CD . LYS A 1 46 ? 11.102 5.756 -13.627 1.00 57.88 46 A 1 ATOM 373 C CE . LYS A 1 46 ? 11.243 7.019 -12.771 1.00 54.02 46 A 1 ATOM 374 N NZ . LYS A 1 46 ? 12.586 7.630 -12.911 1.00 48.99 46 A 1 ATOM 375 N N . PRO A 1 47 ? 7.278 2.002 -15.717 1.00 66.45 47 A 1 ATOM 376 C CA . PRO A 1 47 ? 6.963 0.904 -16.637 1.00 66.73 47 A 1 ATOM 377 C C . PRO A 1 47 ? 8.196 0.151 -17.163 1.00 67.80 47 A 1 ATOM 378 O O . PRO A 1 47 ? 8.144 -1.062 -17.357 1.00 65.08 47 A 1 ATOM 379 C CB . PRO A 1 47 ? 6.176 1.553 -17.778 1.00 64.63 47 A 1 ATOM 380 C CG . PRO A 1 47 ? 5.501 2.753 -17.111 1.00 60.55 47 A 1 ATOM 381 C CD . PRO A 1 47 ? 6.517 3.199 -16.065 1.00 63.07 47 A 1 ATOM 382 N N . LYS A 1 48 ? 9.319 0.851 -17.350 1.00 73.05 48 A 1 ATOM 383 C CA . LYS A 1 48 ? 10.600 0.254 -17.762 1.00 74.42 48 A 1 ATOM 384 C C . LYS A 1 48 ? 11.169 -0.694 -16.703 1.00 74.97 48 A 1 ATOM 385 O O . LYS A 1 48 ? 11.564 -1.806 -17.042 1.00 72.63 48 A 1 ATOM 386 C CB . LYS A 1 48 ? 11.617 1.351 -18.109 1.00 73.17 48 A 1 ATOM 387 C CG . LYS A 1 48 ? 11.244 2.100 -19.398 1.00 65.81 48 A 1 ATOM 388 C CD . LYS A 1 48 ? 12.376 3.063 -19.798 1.00 63.58 48 A 1 ATOM 389 C CE . LYS A 1 48 ? 12.057 3.740 -21.129 1.00 57.83 48 A 1 ATOM 390 N NZ . LYS A 1 48 ? 13.184 4.601 -21.580 1.00 50.91 48 A 1 ATOM 391 N N . ASP A 1 49 ? 11.110 -0.307 -15.435 1.00 72.43 49 A 1 ATOM 392 C CA . ASP A 1 49 ? 11.634 -1.101 -14.317 1.00 73.74 49 A 1 ATOM 393 C C . ASP A 1 49 ? 10.802 -2.381 -14.119 1.00 74.30 49 A 1 ATOM 394 O O . ASP A 1 49 ? 11.334 -3.447 -13.803 1.00 71.49 49 A 1 ATOM 395 C CB . ASP A 1 49 ? 11.620 -0.265 -13.016 1.00 71.03 49 A 1 ATOM 396 C CG . ASP A 1 49 ? 12.311 1.107 -13.095 1.00 63.51 49 A 1 ATOM 397 O OD1 . ASP A 1 49 ? 13.170 1.309 -13.983 1.00 59.56 49 A 1 ATOM 398 O OD2 . ASP A 1 49 ? 11.910 1.993 -12.302 1.00 59.39 49 A 1 ATOM 399 N N . ILE A 1 50 ? 9.490 -2.293 -14.346 1.00 69.45 50 A 1 ATOM 400 C CA . ILE A 1 50 ? 8.583 -3.447 -14.325 1.00 71.49 50 A 1 ATOM 401 C C . ILE A 1 50 ? 8.911 -4.398 -15.480 1.00 73.54 50 A 1 ATOM 402 O O . ILE A 1 50 ? 9.046 -5.603 -15.265 1.00 72.48 50 A 1 ATOM 403 C CB . ILE A 1 50 ? 7.106 -2.991 -14.364 1.00 70.63 50 A 1 ATOM 404 C CG1 . ILE A 1 50 ? 6.767 -2.136 -13.118 1.00 65.43 50 A 1 ATOM 405 C CG2 . ILE A 1 50 ? 6.163 -4.205 -14.453 1.00 63.15 50 A 1 ATOM 406 C CD1 . ILE A 1 50 ? 5.373 -1.499 -13.147 1.00 59.22 50 A 1 ATOM 407 N N . ALA A 1 51 ? 9.076 -3.869 -16.694 1.00 73.66 51 A 1 ATOM 408 C CA . ALA A 1 51 ? 9.403 -4.672 -17.868 1.00 75.62 51 A 1 ATOM 409 C C . ALA A 1 51 ? 10.749 -5.400 -17.707 1.00 77.34 51 A 1 ATOM 410 O O . ALA A 1 51 ? 10.827 -6.605 -17.955 1.00 75.61 51 A 1 ATOM 411 C CB . ALA A 1 51 ? 9.382 -3.767 -19.106 1.00 74.67 51 A 1 ATOM 412 N N . GLU A 1 52 ? 11.784 -4.721 -17.223 1.00 74.29 52 A 1 ATOM 413 C CA . GLU A 1 52 ? 13.091 -5.332 -16.956 1.00 76.28 52 A 1 ATOM 414 C C . GLU A 1 52 ? 13.023 -6.416 -15.874 1.00 75.67 52 A 1 ATOM 415 O O . GLU A 1 52 ? 13.608 -7.489 -16.035 1.00 74.38 52 A 1 ATOM 416 C CB . GLU A 1 52 ? 14.106 -4.256 -16.545 1.00 77.46 52 A 1 ATOM 417 C CG . GLU A 1 52 ? 14.570 -3.428 -17.751 1.00 71.64 52 A 1 ATOM 418 C CD . GLU A 1 52 ? 15.632 -2.374 -17.387 1.00 67.11 52 A 1 ATOM 419 O OE1 . GLU A 1 52 ? 16.019 -1.630 -18.318 1.00 63.43 52 A 1 ATOM 420 O OE2 . GLU A 1 52 ? 16.061 -2.331 -16.211 1.00 64.12 52 A 1 ATOM 421 N N . ARG A 1 53 ? 12.260 -6.190 -14.797 1.00 77.28 53 A 1 ATOM 422 C CA . ARG A 1 53 ? 12.045 -7.206 -13.756 1.00 75.66 53 A 1 ATOM 423 C C . ARG A 1 53 ? 11.335 -8.440 -14.299 1.00 76.72 53 A 1 ATOM 424 O O . ARG A 1 53 ? 11.776 -9.548 -14.009 1.00 75.42 53 A 1 ATOM 425 C CB . ARG A 1 53 ? 11.262 -6.617 -12.573 1.00 74.37 53 A 1 ATOM 426 C CG . ARG A 1 53 ? 12.170 -5.785 -11.657 1.00 66.49 53 A 1 ATOM 427 C CD . ARG A 1 53 ? 11.342 -5.219 -10.502 1.00 65.00 53 A 1 ATOM 428 N NE . ARG A 1 53 ? 12.191 -4.482 -9.548 1.00 59.43 53 A 1 ATOM 429 C CZ . ARG A 1 53 ? 11.863 -4.141 -8.308 1.00 53.73 53 A 1 ATOM 430 N NH1 . ARG A 1 53 ? 10.695 -4.431 -7.798 1.00 51.66 53 A 1 ATOM 431 N NH2 . ARG A 1 53 ? 12.711 -3.497 -7.554 1.00 46.90 53 A 1 ATOM 432 N N . ILE A 1 54 ? 10.286 -8.265 -15.099 1.00 72.46 54 A 1 ATOM 433 C CA . ILE A 1 54 ? 9.564 -9.380 -15.727 1.00 74.02 54 A 1 ATOM 434 C C . ILE A 1 54 ? 10.496 -10.158 -16.665 1.00 74.79 54 A 1 ATOM 435 O O . ILE A 1 54 ? 10.571 -11.382 -16.575 1.00 73.55 54 A 1 ATOM 436 C CB . ILE A 1 54 ? 8.299 -8.870 -16.453 1.00 73.39 54 A 1 ATOM 437 C CG1 . ILE A 1 54 ? 7.263 -8.361 -15.419 1.00 69.00 54 A 1 ATOM 438 C CG2 . ILE A 1 54 ? 7.675 -9.978 -17.325 1.00 65.86 54 A 1 ATOM 439 C CD1 . ILE A 1 54 ? 6.094 -7.592 -16.038 1.00 61.97 54 A 1 ATOM 440 N N . ILE A 1 55 ? 11.258 -9.466 -17.519 1.00 72.76 55 A 1 ATOM 441 C CA . ILE A 1 55 ? 12.214 -10.106 -18.432 1.00 74.19 55 A 1 ATOM 442 C C . ILE A 1 55 ? 13.261 -10.908 -17.644 1.00 73.80 55 A 1 ATOM 443 O O . ILE A 1 55 ? 13.558 -12.051 -18.004 1.00 73.31 55 A 1 ATOM 444 C CB . ILE A 1 55 ? 12.867 -9.044 -19.351 1.00 75.75 55 A 1 ATOM 445 C CG1 . ILE A 1 55 ? 11.829 -8.507 -20.367 1.00 73.06 55 A 1 ATOM 446 C CG2 . ILE A 1 55 ? 14.083 -9.617 -20.104 1.00 71.25 55 A 1 ATOM 447 C CD1 . ILE A 1 55 ? 12.273 -7.213 -21.070 1.00 66.15 55 A 1 ATOM 448 N N . ASN A 1 56 ? 13.789 -10.353 -16.557 1.00 74.52 56 A 1 ATOM 449 C CA . ASN A 1 56 ? 14.761 -11.051 -15.715 1.00 74.28 56 A 1 ATOM 450 C C . ASN A 1 56 ? 14.145 -12.245 -14.972 1.00 72.76 56 A 1 ATOM 451 O O . ASN A 1 56 ? 14.798 -13.278 -14.844 1.00 71.79 56 A 1 ATOM 452 C CB . ASN A 1 56 ? 15.403 -10.044 -14.749 1.00 75.21 56 A 1 ATOM 453 C CG . ASN A 1 56 ? 16.391 -9.115 -15.437 1.00 70.48 56 A 1 ATOM 454 O OD1 . ASN A 1 56 ? 16.911 -9.387 -16.506 1.00 66.94 56 A 1 ATOM 455 N ND2 . ASN A 1 56 ? 16.710 -7.999 -14.821 1.00 65.52 56 A 1 ATOM 456 N N . MET A 1 57 ? 12.900 -12.142 -14.514 1.00 75.32 57 A 1 ATOM 457 C CA . MET A 1 57 ? 12.173 -13.273 -13.927 1.00 73.83 57 A 1 ATOM 458 C C . MET A 1 57 ? 11.983 -14.399 -14.941 1.00 72.94 57 A 1 ATOM 459 O O . MET A 1 57 ? 12.291 -15.543 -14.628 1.00 73.02 57 A 1 ATOM 460 C CB . MET A 1 57 ? 10.813 -12.819 -13.377 1.00 73.21 57 A 1 ATOM 461 C CG . MET A 1 57 ? 10.956 -12.091 -12.038 1.00 65.47 57 A 1 ATOM 462 S SD . MET A 1 57 ? 9.385 -11.452 -11.399 1.00 60.42 57 A 1 ATOM 463 C CE . MET A 1 57 ? 9.895 -10.993 -9.717 1.00 55.07 57 A 1 ATOM 464 N N . VAL A 1 58 ? 11.556 -14.073 -16.164 1.00 72.26 58 A 1 ATOM 465 C CA . VAL A 1 58 ? 11.359 -15.068 -17.233 1.00 72.32 58 A 1 ATOM 466 C C . VAL A 1 58 ? 12.685 -15.715 -17.649 1.00 73.05 58 A 1 ATOM 467 O O . VAL A 1 58 ? 12.746 -16.930 -17.810 1.00 71.52 58 A 1 ATOM 468 C CB . VAL A 1 58 ? 10.642 -14.430 -18.438 1.00 72.21 58 A 1 ATOM 469 C CG1 . VAL A 1 58 ? 10.549 -15.376 -19.646 1.00 64.56 58 A 1 ATOM 470 C CG2 . VAL A 1 58 ? 9.204 -14.030 -18.065 1.00 65.35 58 A 1 ATOM 471 N N . LYS A 1 59 ? 13.762 -14.938 -17.779 1.00 74.43 59 A 1 ATOM 472 C CA . LYS A 1 59 ? 15.091 -15.466 -18.138 1.00 75.04 59 A 1 ATOM 473 C C . LYS A 1 59 ? 15.687 -16.380 -17.065 1.00 72.62 59 A 1 ATOM 474 O O . LYS A 1 59 ? 16.413 -17.310 -17.404 1.00 72.92 59 A 1 ATOM 475 C CB . LYS A 1 59 ? 16.064 -14.307 -18.407 1.00 77.34 59 A 1 ATOM 476 C CG . LYS A 1 59 ? 15.833 -13.658 -19.777 1.00 73.30 59 A 1 ATOM 477 C CD . LYS A 1 59 ? 16.822 -12.493 -19.956 1.00 71.26 59 A 1 ATOM 478 C CE . LYS A 1 59 ? 16.652 -11.858 -21.335 1.00 65.73 59 A 1 ATOM 479 N NZ . LYS A 1 59 ? 17.614 -10.740 -21.524 1.00 60.96 59 A 1 ATOM 480 N N . ASN A 1 60 ? 15.399 -16.106 -15.795 1.00 76.39 60 A 1 ATOM 481 C CA . ASN A 1 60 ? 15.908 -16.877 -14.660 1.00 76.86 60 A 1 ATOM 482 C C . ASN A 1 60 ? 14.907 -17.928 -14.148 1.00 73.46 60 A 1 ATOM 483 O O . ASN A 1 60 ? 15.220 -18.640 -13.191 1.00 72.35 60 A 1 ATOM 484 C CB . ASN A 1 60 ? 16.337 -15.901 -13.552 1.00 77.29 60 A 1 ATOM 485 C CG . ASN A 1 60 ? 17.489 -15.004 -13.974 1.00 71.67 60 A 1 ATOM 486 O OD1 . ASN A 1 60 ? 18.499 -15.435 -14.500 1.00 66.16 60 A 1 ATOM 487 N ND2 . ASN A 1 60 ? 17.383 -13.720 -13.745 1.00 64.91 60 A 1 ATOM 488 N N . ALA A 1 61 ? 13.718 -18.014 -14.745 1.00 71.14 61 A 1 ATOM 489 C CA . ALA A 1 61 ? 12.753 -19.052 -14.422 1.00 69.31 61 A 1 ATOM 490 C C . ALA A 1 61 ? 13.343 -20.408 -14.825 1.00 68.52 61 A 1 ATOM 491 O O . ALA A 1 61 ? 13.562 -20.687 -16.003 1.00 64.54 61 A 1 ATOM 492 C CB . ALA A 1 61 ? 11.418 -18.756 -15.119 1.00 67.91 61 A 1 ATOM 493 N N . LYS A 1 62 ? 13.614 -21.264 -13.834 1.00 63.04 62 A 1 ATOM 494 C CA . LYS A 1 62 ? 13.937 -22.664 -14.099 1.00 64.48 62 A 1 ATOM 495 C C . LYS A 1 62 ? 12.683 -23.341 -14.642 1.00 62.69 62 A 1 ATOM 496 O O . LYS A 1 62 ? 11.591 -23.123 -14.118 1.00 59.72 62 A 1 ATOM 497 C CB . LYS A 1 62 ? 14.451 -23.360 -12.834 1.00 63.36 62 A 1 ATOM 498 C CG . LYS A 1 62 ? 15.826 -22.819 -12.403 1.00 57.06 62 A 1 ATOM 499 C CD . LYS A 1 62 ? 16.328 -23.594 -11.182 1.00 54.58 62 A 1 ATOM 500 C CE . LYS A 1 62 ? 17.710 -23.094 -10.749 1.00 50.22 62 A 1 ATOM 501 N NZ . LYS A 1 62 ? 18.209 -23.868 -9.582 1.00 43.99 62 A 1 ATOM 502 N N . SER A 1 63 ? 12.842 -24.158 -15.673 1.00 62.39 63 A 1 ATOM 503 C CA . SER A 1 63 ? 11.757 -25.015 -16.135 1.00 62.62 63 A 1 ATOM 504 C C . SER A 1 63 ? 11.365 -25.954 -14.997 1.00 61.57 63 A 1 ATOM 505 O O . SER A 1 63 ? 12.206 -26.720 -14.520 1.00 58.51 63 A 1 ATOM 506 C CB . SER A 1 63 ? 12.194 -25.812 -17.367 1.00 60.62 63 A 1 ATOM 507 O OG . SER A 1 63 ? 13.411 -26.482 -17.103 1.00 53.64 63 A 1 ATOM 508 N N . ILE A 1 64 ? 10.112 -25.894 -14.564 1.00 56.35 64 A 1 ATOM 509 C CA . ILE A 1 64 ? 9.559 -26.853 -13.606 1.00 59.18 64 A 1 ATOM 510 C C . ILE A 1 64 ? 9.207 -28.113 -14.396 1.00 60.06 64 A 1 ATOM 511 O O . ILE A 1 64 ? 8.386 -28.053 -15.315 1.00 57.71 64 A 1 ATOM 512 C CB . ILE A 1 64 ? 8.357 -26.242 -12.862 1.00 56.96 64 A 1 ATOM 513 C CG1 . ILE A 1 64 ? 8.800 -24.982 -12.074 1.00 50.48 64 A 1 ATOM 514 C CG2 . ILE A 1 64 ? 7.733 -27.282 -11.924 1.00 49.53 64 A 1 ATOM 515 C CD1 . ILE A 1 64 ? 7.647 -24.195 -11.448 1.00 46.08 64 A 1 ATOM 516 N N . SER A 1 65 ? 9.830 -29.225 -14.069 1.00 61.69 65 A 1 ATOM 517 C CA . SER A 1 65 ? 9.443 -30.526 -14.604 1.00 65.69 65 A 1 ATOM 518 C C . SER A 1 65 ? 8.214 -31.011 -13.837 1.00 65.71 65 A 1 ATOM 519 O O . SER A 1 65 ? 8.284 -31.304 -12.645 1.00 64.84 65 A 1 ATOM 520 C CB . SER A 1 65 ? 10.604 -31.512 -14.479 1.00 64.43 65 A 1 ATOM 521 O OG . SER A 1 65 ? 10.193 -32.782 -14.926 1.00 55.96 65 A 1 ATOM 522 N N . PHE A 1 66 ? 7.063 -31.045 -14.510 1.00 69.59 66 A 1 ATOM 523 C CA . PHE A 1 66 ? 5.832 -31.562 -13.912 1.00 71.19 66 A 1 ATOM 524 C C . PHE A 1 66 ? 5.910 -33.066 -13.631 1.00 73.28 66 A 1 ATOM 525 O O . PHE A 1 66 ? 5.237 -33.537 -12.720 1.00 72.08 66 A 1 ATOM 526 C CB . PHE A 1 66 ? 4.637 -31.223 -14.809 1.00 69.32 66 A 1 ATOM 527 C CG . PHE A 1 66 ? 4.264 -29.750 -14.784 1.00 63.43 66 A 1 ATOM 528 C CD1 . PHE A 1 66 ? 3.462 -29.254 -13.739 1.00 58.91 66 A 1 ATOM 529 C CD2 . PHE A 1 66 ? 4.722 -28.876 -15.784 1.00 56.57 66 A 1 ATOM 530 C CE1 . PHE A 1 66 ? 3.118 -27.891 -13.695 1.00 52.89 66 A 1 ATOM 531 C CE2 . PHE A 1 66 ? 4.384 -27.511 -15.738 1.00 53.14 66 A 1 ATOM 532 C CZ . PHE A 1 66 ? 3.580 -27.019 -14.694 1.00 52.78 66 A 1 ATOM 533 N N . ASP A 1 67 ? 6.758 -33.794 -14.361 1.00 68.91 67 A 1 ATOM 534 C CA . ASP A 1 67 ? 6.946 -35.233 -14.170 1.00 71.85 67 A 1 ATOM 535 C C . ASP A 1 67 ? 7.667 -35.535 -12.844 1.00 71.58 67 A 1 ATOM 536 O O . ASP A 1 67 ? 7.266 -36.445 -12.123 1.00 70.96 67 A 1 ATOM 537 C CB . ASP A 1 67 ? 7.708 -35.816 -15.376 1.00 73.00 67 A 1 ATOM 538 C CG . ASP A 1 67 ? 6.973 -35.660 -16.717 1.00 68.85 67 A 1 ATOM 539 O OD1 . ASP A 1 67 ? 5.724 -35.702 -16.722 1.00 62.95 67 A 1 ATOM 540 O OD2 . ASP A 1 67 ? 7.671 -35.467 -17.736 1.00 63.43 67 A 1 ATOM 541 N N . GLU A 1 68 ? 8.657 -34.725 -12.454 1.00 66.46 68 A 1 ATOM 542 C CA . GLU A 1 68 ? 9.342 -34.848 -11.156 1.00 68.29 68 A 1 ATOM 543 C C . GLU A 1 68 ? 8.402 -34.522 -9.984 1.00 68.78 68 A 1 ATOM 544 O O . GLU A 1 68 ? 8.357 -35.260 -9.001 1.00 67.71 68 A 1 ATOM 545 C CB . GLU A 1 68 ? 10.580 -33.930 -11.122 1.00 66.91 68 A 1 ATOM 546 C CG . GLU A 1 68 ? 11.741 -34.473 -11.983 1.00 61.35 68 A 1 ATOM 547 C CD . GLU A 1 68 ? 12.918 -33.487 -12.118 1.00 57.94 68 A 1 ATOM 548 O OE1 . GLU A 1 68 ? 14.050 -33.946 -12.394 1.00 55.21 68 A 1 ATOM 549 O OE2 . GLU A 1 68 ? 12.677 -32.258 -12.065 1.00 55.26 68 A 1 ATOM 550 N N . LEU A 1 69 ? 7.582 -33.468 -10.114 1.00 65.44 69 A 1 ATOM 551 C CA . LEU A 1 69 ? 6.575 -33.128 -9.103 1.00 67.17 69 A 1 ATOM 552 C C . LEU A 1 69 ? 5.490 -34.205 -8.964 1.00 66.93 69 A 1 ATOM 553 O O . LEU A 1 69 ? 5.024 -34.477 -7.862 1.00 66.82 69 A 1 ATOM 554 C CB . LEU A 1 69 ? 5.932 -31.780 -9.478 1.00 66.80 69 A 1 ATOM 555 C CG . LEU A 1 69 ? 6.800 -30.565 -9.097 1.00 60.53 69 A 1 ATOM 556 C CD1 . LEU A 1 69 ? 6.306 -29.329 -9.842 1.00 55.67 69 A 1 ATOM 557 C CD2 . LEU A 1 69 ? 6.724 -30.268 -7.598 1.00 56.48 69 A 1 ATOM 558 N N . ALA A 1 70 ? 5.077 -34.802 -10.080 1.00 71.35 70 A 1 ATOM 559 C CA . ALA A 1 70 ? 4.080 -35.866 -10.059 1.00 73.22 70 A 1 ATOM 560 C C . ALA A 1 70 ? 4.610 -37.141 -9.380 1.00 72.14 70 A 1 ATOM 561 O O . ALA A 1 70 ? 3.852 -37.798 -8.668 1.00 70.90 70 A 1 ATOM 562 C CB . ALA A 1 70 ? 3.614 -36.132 -11.497 1.00 72.70 70 A 1 ATOM 563 N N . SER A 1 71 ? 5.895 -37.469 -9.543 1.00 70.27 71 A 1 ATOM 564 C CA . SER A 1 71 ? 6.501 -38.621 -8.869 1.00 70.69 71 A 1 ATOM 565 C C . SER A 1 71 ? 6.580 -38.435 -7.350 1.00 68.89 71 A 1 ATOM 566 O O . SER A 1 71 ? 6.177 -39.341 -6.623 1.00 67.66 71 A 1 ATOM 567 C CB . SER A 1 71 ? 7.865 -38.978 -9.470 1.00 70.48 71 A 1 ATOM 568 O OG . SER A 1 71 ? 8.816 -37.945 -9.404 1.00 63.39 71 A 1 ATOM 569 N N . GLU A 1 72 ? 6.954 -37.248 -6.861 1.00 63.87 72 A 1 ATOM 570 C CA . GLU A 1 72 ? 7.017 -36.958 -5.418 1.00 65.23 72 A 1 ATOM 571 C C . GLU A 1 72 ? 5.645 -37.038 -4.723 1.00 64.32 72 A 1 ATOM 572 O O . GLU A 1 72 ? 5.558 -37.470 -3.579 1.00 62.69 72 A 1 ATOM 573 C CB . GLU A 1 72 ? 7.628 -35.565 -5.183 1.00 66.13 72 A 1 ATOM 574 C CG . GLU A 1 72 ? 9.152 -35.527 -5.403 1.00 59.25 72 A 1 ATOM 575 C CD . GLU A 1 72 ? 9.788 -34.158 -5.072 1.00 55.74 72 A 1 ATOM 576 O OE1 . GLU A 1 72 ? 11.040 -34.102 -4.985 1.00 53.45 72 A 1 ATOM 577 O OE2 . GLU A 1 72 ? 9.052 -33.154 -4.923 1.00 53.81 72 A 1 ATOM 578 N N . ILE A 1 73 ? 4.571 -36.657 -5.414 1.00 66.62 73 A 1 ATOM 579 C CA . ILE A 1 73 ? 3.204 -36.706 -4.863 1.00 66.94 73 A 1 ATOM 580 C C . ILE A 1 73 ? 2.641 -38.142 -4.850 1.00 65.06 73 A 1 ATOM 581 O O . ILE A 1 73 ? 1.739 -38.446 -4.076 1.00 62.17 73 A 1 ATOM 582 C CB . ILE A 1 73 ? 2.300 -35.712 -5.640 1.00 65.85 73 A 1 ATOM 583 C CG1 . ILE A 1 73 ? 2.803 -34.257 -5.441 1.00 61.52 73 A 1 ATOM 584 C CG2 . ILE A 1 73 ? 0.824 -35.803 -5.215 1.00 58.48 73 A 1 ATOM 585 C CD1 . ILE A 1 73 ? 2.194 -33.243 -6.419 1.00 54.73 73 A 1 ATOM 586 N N . SER A 1 74 ? 3.153 -39.026 -5.710 1.00 66.64 74 A 1 ATOM 587 C CA . SER A 1 74 ? 2.651 -40.402 -5.847 1.00 67.69 74 A 1 ATOM 588 C C . SER A 1 74 ? 3.271 -41.420 -4.874 1.00 64.04 74 A 1 ATOM 589 O O . SER A 1 74 ? 2.832 -42.572 -4.861 1.00 63.63 74 A 1 ATOM 590 C CB . SER A 1 74 ? 2.760 -40.863 -7.305 1.00 67.64 74 A 1 ATOM 591 O OG . SER A 1 74 ? 4.093 -41.063 -7.736 1.00 59.13 74 A 1 ATOM 592 N N . GLU A 1 75 ? 4.265 -41.009 -4.063 1.00 63.26 75 A 1 ATOM 593 C CA . GLU A 1 75 ? 4.966 -41.884 -3.102 1.00 64.80 75 A 1 ATOM 594 C C . GLU A 1 75 ? 4.397 -41.835 -1.659 1.00 61.00 75 A 1 ATOM 595 O O . GLU A 1 75 ? 4.995 -42.417 -0.756 1.00 57.09 75 A 1 ATOM 596 C CB . GLU A 1 75 ? 6.488 -41.642 -3.163 1.00 64.99 75 A 1 ATOM 597 C CG . GLU A 1 75 ? 7.119 -42.200 -4.454 1.00 60.12 75 A 1 ATOM 598 C CD . GLU A 1 75 ? 8.668 -42.210 -4.458 1.00 56.44 75 A 1 ATOM 599 O OE1 . GLU A 1 75 ? 9.235 -42.866 -5.370 1.00 54.41 75 A 1 ATOM 600 O OE2 . GLU A 1 75 ? 9.298 -41.601 -3.559 1.00 57.07 75 A 1 ATOM 601 N N . GLU A 1 76 ? 3.223 -41.192 -1.426 1.00 55.02 76 A 1 ATOM 602 C CA . GLU A 1 76 ? 2.440 -41.302 -0.173 1.00 58.29 76 A 1 ATOM 603 C C . GLU A 1 76 ? 1.297 -42.333 -0.265 1.00 52.99 76 A 1 ATOM 604 O O . GLU A 1 76 ? 0.513 -42.288 -1.240 1.00 47.33 76 A 1 ATOM 605 C CB . GLU A 1 76 ? 1.920 -39.934 0.307 1.00 52.88 76 A 1 ATOM 606 C CG . GLU A 1 76 ? 2.953 -39.139 1.138 1.00 45.23 76 A 1 ATOM 607 C CD . GLU A 1 76 ? 2.363 -37.904 1.861 1.00 41.58 76 A 1 ATOM 608 O OE1 . GLU A 1 76 ? 2.976 -37.473 2.873 1.00 40.84 76 A 1 ATOM 609 O OE2 . GLU A 1 76 ? 1.303 -37.386 1.447 1.00 42.71 76 A 1 ATOM 610 O OXT . GLU A 1 76 ? 1.226 -43.159 0.667 1.00 49.11 76 A 1 #