# 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_ugi # _entry.id ugi # 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" "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" "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 THR 2 1 n ASN 3 1 n LEU 4 1 n SER 5 1 n ASP 6 1 n ILE 7 1 n ILE 8 1 n GLU 9 1 n LYS 10 1 n GLU 11 1 n THR 12 1 n GLY 13 1 n LYS 14 1 n GLN 15 1 n LEU 16 1 n VAL 17 1 n ILE 18 1 n GLN 19 1 n GLU 20 1 n SER 21 1 n ILE 22 1 n LEU 23 1 n MET 24 1 n LEU 25 1 n PRO 26 1 n GLU 27 1 n GLU 28 1 n VAL 29 1 n GLU 30 1 n GLU 31 1 n VAL 32 1 n ILE 33 1 n GLY 34 1 n ASN 35 1 n LYS 36 1 n PRO 37 1 n GLU 38 1 n SER 39 1 n ASP 40 1 n ILE 41 1 n LEU 42 1 n VAL 43 1 n HIS 44 1 n THR 45 1 n ALA 46 1 n TYR 47 1 n ASP 48 1 n GLU 49 1 n SER 50 1 n THR 51 1 n ASP 52 1 n GLU 53 1 n ASN 54 1 n VAL 55 1 n MET 56 1 n LEU 57 1 n LEU 58 1 n THR 59 1 n SER 60 1 n ASP 61 1 n ALA 62 1 n PRO 63 1 n GLU 64 1 n TYR 65 1 n LYS 66 1 n PRO 67 1 n TRP 68 1 n ALA 69 1 n LEU 70 1 n VAL 71 1 n ILE 72 1 n GLN 73 1 n ASP 74 1 n SER 75 1 n ASN 76 1 n GLY 77 1 n GLU 78 1 n ASN 79 1 n LYS 80 1 n ILE 81 1 n LYS 82 1 n MET 83 1 n LEU 84 # _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 01:11:25)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 90.94 _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 60.44 1 1 A THR 2 2 68.26 1 2 A ASN 3 2 79.73 1 3 A LEU 4 2 90.97 1 4 A SER 5 2 91.81 1 5 A ASP 6 2 92.28 1 6 A ILE 7 2 93.19 1 7 A ILE 8 2 95.25 1 8 A GLU 9 2 90.79 1 9 A LYS 10 2 88.32 1 10 A GLU 11 2 91.60 1 11 A THR 12 2 94.52 1 12 A GLY 13 2 94.92 1 13 A LYS 14 2 90.26 1 14 A GLN 15 2 85.37 1 15 A LEU 16 2 94.35 1 16 A VAL 17 2 93.20 1 17 A ILE 18 2 94.55 1 18 A GLN 19 2 89.08 1 19 A GLU 20 2 87.08 1 20 A SER 21 2 94.05 1 21 A ILE 22 2 90.98 1 22 A LEU 23 2 92.58 1 23 A MET 24 2 92.21 1 24 A LEU 25 2 94.01 1 25 A PRO 26 2 95.91 1 26 A GLU 27 2 90.18 1 27 A GLU 28 2 91.15 1 28 A VAL 29 2 93.73 1 29 A GLU 30 2 92.15 1 30 A GLU 31 2 86.40 1 31 A VAL 32 2 85.57 1 32 A ILE 33 2 85.86 1 33 A GLY 34 2 90.99 1 34 A ASN 35 2 87.48 1 35 A LYS 36 2 93.05 1 36 A PRO 37 2 95.72 1 37 A GLU 38 2 86.12 1 38 A SER 39 2 93.37 1 39 A ASP 40 2 93.63 1 40 A ILE 41 2 95.11 1 41 A LEU 42 2 92.93 1 42 A VAL 43 2 95.92 1 43 A HIS 44 2 95.06 1 44 A THR 45 2 95.16 1 45 A ALA 46 2 96.58 1 46 A TYR 47 2 91.20 1 47 A ASP 48 2 94.79 1 48 A GLU 49 2 88.07 1 49 A SER 50 2 94.03 1 50 A THR 51 2 94.37 1 51 A ASP 52 2 92.25 1 52 A GLU 53 2 93.07 1 53 A ASN 54 2 92.63 1 54 A VAL 55 2 96.80 1 55 A MET 56 2 92.97 1 56 A LEU 57 2 96.37 1 57 A LEU 58 2 95.78 1 58 A THR 59 2 96.65 1 59 A SER 60 2 94.73 1 60 A ASP 61 2 87.03 1 61 A ALA 62 2 86.96 1 62 A PRO 63 2 87.22 1 63 A GLU 64 2 81.48 1 64 A TYR 65 2 90.55 1 65 A LYS 66 2 86.25 1 66 A PRO 67 2 94.68 1 67 A TRP 68 2 90.62 1 68 A ALA 69 2 96.68 1 69 A LEU 70 2 94.87 1 70 A VAL 71 2 96.09 1 71 A ILE 72 2 95.59 1 72 A GLN 73 2 92.10 1 73 A ASP 74 2 93.43 1 74 A SER 75 2 93.14 1 75 A ASN 76 2 90.74 1 76 A GLY 77 2 91.30 1 77 A GLU 78 2 85.26 1 78 A ASN 79 2 91.43 1 79 A LYS 80 2 86.73 1 80 A ILE 81 2 93.65 1 81 A LYS 82 2 90.34 1 82 A MET 83 2 90.09 1 83 A LEU 84 2 92.89 1 84 # _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 THR . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ASP . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n GLU . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n GLU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n GLN . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n GLN . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n ILE . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n MET . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n PRO . 26 A 26 A 27 1 n GLU . 27 A 27 A 28 1 n GLU . 28 A 28 A 29 1 n VAL . 29 A 29 A 30 1 n GLU . 30 A 30 A 31 1 n GLU . 31 A 31 A 32 1 n VAL . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n GLY . 34 A 34 A 35 1 n ASN . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n PRO . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n SER . 39 A 39 A 40 1 n ASP . 40 A 40 A 41 1 n ILE . 41 A 41 A 42 1 n LEU . 42 A 42 A 43 1 n VAL . 43 A 43 A 44 1 n HIS . 44 A 44 A 45 1 n THR . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n TYR . 47 A 47 A 48 1 n ASP . 48 A 48 A 49 1 n GLU . 49 A 49 A 50 1 n SER . 50 A 50 A 51 1 n THR . 51 A 51 A 52 1 n ASP . 52 A 52 A 53 1 n GLU . 53 A 53 A 54 1 n ASN . 54 A 54 A 55 1 n VAL . 55 A 55 A 56 1 n MET . 56 A 56 A 57 1 n LEU . 57 A 57 A 58 1 n LEU . 58 A 58 A 59 1 n THR . 59 A 59 A 60 1 n SER . 60 A 60 A 61 1 n ASP . 61 A 61 A 62 1 n ALA . 62 A 62 A 63 1 n PRO . 63 A 63 A 64 1 n GLU . 64 A 64 A 65 1 n TYR . 65 A 65 A 66 1 n LYS . 66 A 66 A 67 1 n PRO . 67 A 67 A 68 1 n TRP . 68 A 68 A 69 1 n ALA . 69 A 69 A 70 1 n LEU . 70 A 70 A 71 1 n VAL . 71 A 71 A 72 1 n ILE . 72 A 72 A 73 1 n GLN . 73 A 73 A 74 1 n ASP . 74 A 74 A 75 1 n SER . 75 A 75 A 76 1 n ASN . 76 A 76 A 77 1 n GLY . 77 A 77 A 78 1 n GLU . 78 A 78 A 79 1 n ASN . 79 A 79 A 80 1 n LYS . 80 A 80 A 81 1 n ILE . 81 A 81 A 82 1 n LYS . 82 A 82 A 83 1 n MET . 83 A 83 A 84 1 n LEU . 84 A 84 # _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 ? 0.098 6.769 -16.275 1.00 61.70 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.016 5.933 -15.064 1.00 67.44 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.143 6.882 -13.893 1.00 71.02 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.652 7.813 -13.829 1.00 67.23 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.222 5.040 -14.882 1.00 62.34 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.276 3.909 -15.916 1.00 56.33 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.821 2.973 -15.861 1.00 52.15 1 A 1 ATOM 8 C CE . MET A 1 1 ? 2.555 1.805 -17.217 1.00 45.34 1 A 1 ATOM 9 N N . THR A 1 2 ? -1.151 6.708 -13.049 1.00 68.34 2 A 1 ATOM 10 C CA . THR A 1 2 ? -1.282 7.494 -11.812 1.00 72.99 2 A 1 ATOM 11 C C . THR A 1 2 ? -0.159 7.067 -10.876 1.00 77.39 2 A 1 ATOM 12 O O . THR A 1 2 ? 0.045 5.870 -10.690 1.00 75.09 2 A 1 ATOM 13 C CB . THR A 1 2 ? -2.650 7.270 -11.164 1.00 66.90 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -3.659 7.458 -12.136 1.00 58.92 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -2.933 8.257 -10.038 1.00 58.17 2 A 1 ATOM 16 N N . ASN A 1 3 ? 0.604 8.011 -10.335 1.00 84.13 3 A 1 ATOM 17 C CA . ASN A 1 3 ? 1.625 7.692 -9.348 1.00 87.62 3 A 1 ATOM 18 C C . ASN A 1 3 ? 0.926 7.311 -8.033 1.00 90.14 3 A 1 ATOM 19 O O . ASN A 1 3 ? -0.015 7.984 -7.614 1.00 89.42 3 A 1 ATOM 20 C CB . ASN A 1 3 ? 2.572 8.898 -9.224 1.00 81.69 3 A 1 ATOM 21 C CG . ASN A 1 3 ? 3.778 8.656 -8.335 1.00 72.79 3 A 1 ATOM 22 O OD1 . ASN A 1 3 ? 3.840 7.736 -7.543 1.00 67.12 3 A 1 ATOM 23 N ND2 . ASN A 1 3 ? 4.785 9.490 -8.444 1.00 64.92 3 A 1 ATOM 24 N N . LEU A 1 4 ? 1.348 6.224 -7.377 1.00 91.30 4 A 1 ATOM 25 C CA . LEU A 1 4 ? 0.754 5.786 -6.109 1.00 92.56 4 A 1 ATOM 26 C C . LEU A 1 4 ? 0.924 6.845 -5.007 1.00 93.54 4 A 1 ATOM 27 O O . LEU A 1 4 ? 0.015 7.056 -4.207 1.00 93.76 4 A 1 ATOM 28 C CB . LEU A 1 4 ? 1.386 4.452 -5.697 1.00 91.92 4 A 1 ATOM 29 C CG . LEU A 1 4 ? 1.176 3.301 -6.697 1.00 89.15 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? 1.994 2.089 -6.264 1.00 87.66 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? -0.290 2.890 -6.807 1.00 87.84 4 A 1 ATOM 32 N N . SER A 1 5 ? 2.041 7.575 -5.024 1.00 93.59 5 A 1 ATOM 33 C CA . SER A 1 5 ? 2.266 8.705 -4.117 1.00 93.65 5 A 1 ATOM 34 C C . SER A 1 5 ? 1.252 9.837 -4.322 1.00 94.60 5 A 1 ATOM 35 O O . SER A 1 5 ? 0.809 10.426 -3.342 1.00 94.40 5 A 1 ATOM 36 C CB . SER A 1 5 ? 3.683 9.255 -4.286 1.00 91.63 5 A 1 ATOM 37 O OG . SER A 1 5 ? 4.644 8.244 -4.022 1.00 82.99 5 A 1 ATOM 38 N N . ASP A 1 6 ? 0.807 10.085 -5.565 1.00 94.03 6 A 1 ATOM 39 C CA . ASP A 1 6 ? -0.212 11.109 -5.851 1.00 94.49 6 A 1 ATOM 40 C C . ASP A 1 6 ? -1.581 10.714 -5.263 1.00 95.34 6 A 1 ATOM 41 O O . ASP A 1 6 ? -2.369 11.570 -4.862 1.00 94.84 6 A 1 ATOM 42 C CB . ASP A 1 6 ? -0.400 11.317 -7.368 1.00 93.29 6 A 1 ATOM 43 C CG . ASP A 1 6 ? 0.841 11.691 -8.193 1.00 90.43 6 A 1 ATOM 44 O OD1 . ASP A 1 6 ? 1.894 12.038 -7.626 1.00 88.33 6 A 1 ATOM 45 O OD2 . ASP A 1 6 ? 0.737 11.553 -9.440 1.00 87.45 6 A 1 ATOM 46 N N . ILE A 1 7 ? -1.882 9.404 -5.199 1.00 94.72 7 A 1 ATOM 47 C CA . ILE A 1 7 ? -3.098 8.892 -4.555 1.00 94.61 7 A 1 ATOM 48 C C . ILE A 1 7 ? -3.012 9.125 -3.048 1.00 95.44 7 A 1 ATOM 49 O O . ILE A 1 7 ? -3.950 9.660 -2.466 1.00 95.49 7 A 1 ATOM 50 C CB . ILE A 1 7 ? -3.343 7.401 -4.889 1.00 94.14 7 A 1 ATOM 51 C CG1 . ILE A 1 7 ? -3.467 7.193 -6.418 1.00 92.22 7 A 1 ATOM 52 C CG2 . ILE A 1 7 ? -4.613 6.894 -4.176 1.00 92.36 7 A 1 ATOM 53 C CD1 . ILE A 1 7 ? -3.475 5.724 -6.844 1.00 86.54 7 A 1 ATOM 54 N N . ILE A 1 8 ? -1.889 8.789 -2.424 1.00 95.34 8 A 1 ATOM 55 C CA . ILE A 1 8 ? -1.668 9.042 -0.994 1.00 95.68 8 A 1 ATOM 56 C C . ILE A 1 8 ? -1.797 10.540 -0.691 1.00 95.68 8 A 1 ATOM 57 O O . ILE A 1 8 ? -2.529 10.909 0.223 1.00 95.89 8 A 1 ATOM 58 C CB . ILE A 1 8 ? -0.305 8.476 -0.537 1.00 96.01 8 A 1 ATOM 59 C CG1 . ILE A 1 8 ? -0.305 6.932 -0.648 1.00 95.17 8 A 1 ATOM 60 C CG2 . ILE A 1 8 ? 0.003 8.907 0.911 1.00 95.22 8 A 1 ATOM 61 C CD1 . ILE A 1 8 ? 1.052 6.279 -0.366 1.00 92.99 8 A 1 ATOM 62 N N . GLU A 1 9 ? -1.157 11.405 -1.494 1.00 95.59 9 A 1 ATOM 63 C CA . GLU A 1 9 ? -1.234 12.860 -1.322 1.00 95.60 9 A 1 ATOM 64 C C . GLU A 1 9 ? -2.673 13.372 -1.446 1.00 95.43 9 A 1 ATOM 65 O O . GLU A 1 9 ? -3.134 14.151 -0.610 1.00 95.12 9 A 1 ATOM 66 C CB . GLU A 1 9 ? -0.309 13.551 -2.339 1.00 95.27 9 A 1 ATOM 67 C CG . GLU A 1 9 ? -0.286 15.080 -2.152 1.00 90.16 9 A 1 ATOM 68 C CD . GLU A 1 9 ? 0.716 15.812 -3.057 1.00 88.03 9 A 1 ATOM 69 O OE1 . GLU A 1 9 ? 0.775 17.062 -2.954 1.00 80.23 9 A 1 ATOM 70 O OE2 . GLU A 1 9 ? 1.452 15.156 -3.826 1.00 81.66 9 A 1 ATOM 71 N N . LYS A 1 10 ? -3.421 12.888 -2.429 1.00 95.71 10 A 1 ATOM 72 C CA . LYS A 1 10 ? -4.827 13.260 -2.611 1.00 95.10 10 A 1 ATOM 73 C C . LYS A 1 10 ? -5.691 12.875 -1.405 1.00 95.20 10 A 1 ATOM 74 O O . LYS A 1 10 ? -6.579 13.637 -1.030 1.00 94.55 10 A 1 ATOM 75 C CB . LYS A 1 10 ? -5.336 12.595 -3.895 1.00 94.30 10 A 1 ATOM 76 C CG . LYS A 1 10 ? -6.797 12.951 -4.193 1.00 87.59 10 A 1 ATOM 77 C CD . LYS A 1 10 ? -7.320 12.079 -5.327 1.00 84.91 10 A 1 ATOM 78 C CE . LYS A 1 10 ? -8.839 12.229 -5.396 1.00 77.22 10 A 1 ATOM 79 N NZ . LYS A 1 10 ? -9.448 11.024 -6.000 1.00 70.31 10 A 1 ATOM 80 N N . GLU A 1 11 ? -5.475 11.694 -0.833 1.00 94.48 11 A 1 ATOM 81 C CA . GLU A 1 11 ? -6.322 11.155 0.238 1.00 93.96 11 A 1 ATOM 82 C C . GLU A 1 11 ? -5.924 11.655 1.635 1.00 94.27 11 A 1 ATOM 83 O O . GLU A 1 11 ? -6.783 11.761 2.513 1.00 92.83 11 A 1 ATOM 84 C CB . GLU A 1 11 ? -6.317 9.620 0.172 1.00 93.93 11 A 1 ATOM 85 C CG . GLU A 1 11 ? -6.908 9.031 -1.132 1.00 91.67 11 A 1 ATOM 86 C CD . GLU A 1 11 ? -8.323 9.541 -1.468 1.00 91.39 11 A 1 ATOM 87 O OE1 . GLU A 1 11 ? -8.632 9.756 -2.667 1.00 85.79 11 A 1 ATOM 88 O OE2 . GLU A 1 11 ? -9.127 9.743 -0.532 1.00 86.12 11 A 1 ATOM 89 N N . THR A 1 12 ? -4.649 11.987 1.846 1.00 95.18 12 A 1 ATOM 90 C CA . THR A 1 12 ? -4.101 12.416 3.148 1.00 95.01 12 A 1 ATOM 91 C C . THR A 1 12 ? -3.772 13.909 3.214 1.00 94.96 12 A 1 ATOM 92 O O . THR A 1 12 ? -3.616 14.463 4.302 1.00 93.84 12 A 1 ATOM 93 C CB . THR A 1 12 ? -2.841 11.618 3.511 1.00 95.11 12 A 1 ATOM 94 O OG1 . THR A 1 12 ? -1.801 11.927 2.617 1.00 94.15 12 A 1 ATOM 95 C CG2 . THR A 1 12 ? -3.053 10.105 3.497 1.00 93.39 12 A 1 ATOM 96 N N . GLY A 1 13 ? -3.644 14.575 2.060 1.00 95.37 13 A 1 ATOM 97 C CA . GLY A 1 13 ? -3.118 15.937 1.942 1.00 95.26 13 A 1 ATOM 98 C C . GLY A 1 13 ? -1.606 16.046 2.185 1.00 95.38 13 A 1 ATOM 99 O O . GLY A 1 13 ? -1.100 17.159 2.334 1.00 93.67 13 A 1 ATOM 100 N N . LYS A 1 14 ? -0.883 14.911 2.248 1.00 95.06 14 A 1 ATOM 101 C CA . LYS A 1 14 ? 0.541 14.840 2.581 1.00 94.78 14 A 1 ATOM 102 C C . LYS A 1 14 ? 1.325 14.187 1.449 1.00 95.56 14 A 1 ATOM 103 O O . LYS A 1 14 ? 0.943 13.130 0.952 1.00 94.78 14 A 1 ATOM 104 C CB . LYS A 1 14 ? 0.737 14.037 3.876 1.00 93.49 14 A 1 ATOM 105 C CG . LYS A 1 14 ? 0.020 14.636 5.099 1.00 91.34 14 A 1 ATOM 106 C CD . LYS A 1 14 ? 0.174 13.664 6.272 1.00 87.62 14 A 1 ATOM 107 C CE . LYS A 1 14 ? -0.532 14.112 7.551 1.00 83.72 14 A 1 ATOM 108 N NZ . LYS A 1 14 ? -0.293 13.127 8.634 1.00 75.99 14 A 1 ATOM 109 N N . GLN A 1 15 ? 2.449 14.782 1.079 1.00 94.85 15 A 1 ATOM 110 C CA . GLN A 1 15 ? 3.379 14.198 0.122 1.00 94.55 15 A 1 ATOM 111 C C . GLN A 1 15 ? 4.289 13.199 0.846 1.00 94.90 15 A 1 ATOM 112 O O . GLN A 1 15 ? 5.213 13.601 1.553 1.00 93.78 15 A 1 ATOM 113 C CB . GLN A 1 15 ? 4.150 15.320 -0.582 1.00 92.88 15 A 1 ATOM 114 C CG . GLN A 1 15 ? 4.934 14.758 -1.774 1.00 82.29 15 A 1 ATOM 115 C CD . GLN A 1 15 ? 5.669 15.835 -2.563 1.00 77.90 15 A 1 ATOM 116 O OE1 . GLN A 1 15 ? 6.068 16.880 -2.072 1.00 70.55 15 A 1 ATOM 117 N NE2 . GLN A 1 15 ? 5.908 15.603 -3.833 1.00 66.67 15 A 1 ATOM 118 N N . LEU A 1 16 ? 4.018 11.905 0.684 1.00 95.09 16 A 1 ATOM 119 C CA . LEU A 1 16 ? 4.768 10.818 1.319 1.00 95.08 16 A 1 ATOM 120 C C . LEU A 1 16 ? 5.449 9.940 0.265 1.00 94.98 16 A 1 ATOM 121 O O . LEU A 1 16 ? 4.940 9.744 -0.840 1.00 94.25 16 A 1 ATOM 122 C CB . LEU A 1 16 ? 3.843 9.996 2.234 1.00 94.95 16 A 1 ATOM 123 C CG . LEU A 1 16 ? 3.175 10.780 3.379 1.00 94.16 16 A 1 ATOM 124 C CD1 . LEU A 1 16 ? 2.241 9.856 4.154 1.00 92.88 16 A 1 ATOM 125 C CD2 . LEU A 1 16 ? 4.188 11.366 4.363 1.00 93.40 16 A 1 ATOM 126 N N . VAL A 1 17 ? 6.606 9.388 0.618 1.00 94.74 17 A 1 ATOM 127 C CA . VAL A 1 17 ? 7.363 8.457 -0.227 1.00 94.48 17 A 1 ATOM 128 C C . VAL A 1 17 ? 7.046 7.034 0.212 1.00 95.14 17 A 1 ATOM 129 O O . VAL A 1 17 ? 7.195 6.701 1.384 1.00 94.81 17 A 1 ATOM 130 C CB . VAL A 1 17 ? 8.872 8.745 -0.165 1.00 93.06 17 A 1 ATOM 131 C CG1 . VAL A 1 17 ? 9.670 7.768 -1.039 1.00 89.66 17 A 1 ATOM 132 C CG2 . VAL A 1 17 ? 9.175 10.168 -0.664 1.00 90.48 17 A 1 ATOM 133 N N . ILE A 1 18 ? 6.639 6.188 -0.740 1.00 95.16 18 A 1 ATOM 134 C CA . ILE A 1 18 ? 6.458 4.754 -0.497 1.00 95.37 18 A 1 ATOM 135 C C . ILE A 1 18 ? 7.831 4.133 -0.235 1.00 95.04 18 A 1 ATOM 136 O O . ILE A 1 18 ? 8.744 4.272 -1.047 1.00 94.43 18 A 1 ATOM 137 C CB . ILE A 1 18 ? 5.722 4.082 -1.675 1.00 95.15 18 A 1 ATOM 138 C CG1 . ILE A 1 18 ? 4.292 4.659 -1.796 1.00 94.45 18 A 1 ATOM 139 C CG2 . ILE A 1 18 ? 5.671 2.553 -1.486 1.00 94.35 18 A 1 ATOM 140 C CD1 . ILE A 1 18 ? 3.604 4.317 -3.114 1.00 92.45 18 A 1 ATOM 141 N N . GLN A 1 19 ? 7.958 3.465 0.904 1.00 95.30 19 A 1 ATOM 142 C CA . GLN A 1 19 ? 9.199 2.847 1.377 1.00 95.30 19 A 1 ATOM 143 C C . GLN A 1 19 ? 9.235 1.346 1.087 1.00 95.39 19 A 1 ATOM 144 O O . GLN A 1 19 ? 10.296 0.799 0.809 1.00 94.53 19 A 1 ATOM 145 C CB . GLN A 1 19 ? 9.326 3.094 2.883 1.00 94.51 19 A 1 ATOM 146 C CG . GLN A 1 19 ? 9.465 4.586 3.215 1.00 89.41 19 A 1 ATOM 147 C CD . GLN A 1 19 ? 9.549 4.848 4.715 1.00 85.37 19 A 1 ATOM 148 O OE1 . GLN A 1 19 ? 9.254 4.015 5.553 1.00 77.48 19 A 1 ATOM 149 N NE2 . GLN A 1 19 ? 9.953 6.034 5.114 1.00 74.43 19 A 1 ATOM 150 N N . GLU A 1 20 ? 8.074 0.694 1.132 1.00 94.44 20 A 1 ATOM 151 C CA . GLU A 1 20 ? 7.938 -0.750 0.944 1.00 94.77 20 A 1 ATOM 152 C C . GLU A 1 20 ? 6.646 -1.081 0.196 1.00 95.21 20 A 1 ATOM 153 O O . GLU A 1 20 ? 5.662 -0.342 0.256 1.00 94.28 20 A 1 ATOM 154 C CB . GLU A 1 20 ? 8.002 -1.440 2.318 1.00 92.78 20 A 1 ATOM 155 C CG . GLU A 1 20 ? 8.045 -2.971 2.203 1.00 82.47 20 A 1 ATOM 156 C CD . GLU A 1 20 ? 8.294 -3.657 3.552 1.00 82.08 20 A 1 ATOM 157 O OE1 . GLU A 1 20 ? 8.949 -4.718 3.536 1.00 72.30 20 A 1 ATOM 158 O OE2 . GLU A 1 20 ? 7.842 -3.113 4.586 1.00 75.43 20 A 1 ATOM 159 N N . SER A 1 21 ? 6.659 -2.207 -0.533 1.00 95.36 21 A 1 ATOM 160 C CA . SER A 1 21 ? 5.470 -2.788 -1.153 1.00 95.17 21 A 1 ATOM 161 C C . SER A 1 21 ? 5.516 -4.300 -0.979 1.00 95.16 21 A 1 ATOM 162 O O . SER A 1 21 ? 6.472 -4.938 -1.415 1.00 94.38 21 A 1 ATOM 163 C CB . SER A 1 21 ? 5.385 -2.427 -2.638 1.00 94.08 21 A 1 ATOM 164 O OG . SER A 1 21 ? 5.322 -1.019 -2.804 1.00 90.17 21 A 1 ATOM 165 N N . ILE A 1 22 ? 4.485 -4.863 -0.339 1.00 94.93 22 A 1 ATOM 166 C CA . ILE A 1 22 ? 4.372 -6.298 -0.066 1.00 94.88 22 A 1 ATOM 167 C C . ILE A 1 22 ? 3.055 -6.840 -0.613 1.00 95.13 22 A 1 ATOM 168 O O . ILE A 1 22 ? 2.038 -6.147 -0.595 1.00 95.20 22 A 1 ATOM 169 C CB . ILE A 1 22 ? 4.544 -6.617 1.438 1.00 93.75 22 A 1 ATOM 170 C CG1 . ILE A 1 22 ? 3.460 -5.948 2.313 1.00 86.02 22 A 1 ATOM 171 C CG2 . ILE A 1 22 ? 5.964 -6.235 1.889 1.00 85.90 22 A 1 ATOM 172 C CD1 . ILE A 1 22 ? 3.507 -6.375 3.788 1.00 82.01 22 A 1 ATOM 173 N N . LEU A 1 23 ? 3.071 -8.083 -1.102 1.00 95.78 23 A 1 ATOM 174 C CA . LEU A 1 23 ? 1.859 -8.783 -1.520 1.00 95.63 23 A 1 ATOM 175 C C . LEU A 1 23 ? 1.255 -9.497 -0.309 1.00 95.54 23 A 1 ATOM 176 O O . LEU A 1 23 ? 1.972 -10.203 0.398 1.00 95.37 23 A 1 ATOM 177 C CB . LEU A 1 23 ? 2.210 -9.753 -2.658 1.00 94.70 23 A 1 ATOM 178 C CG . LEU A 1 23 ? 0.985 -10.320 -3.398 1.00 89.28 23 A 1 ATOM 179 C CD1 . LEU A 1 23 ? 0.333 -9.264 -4.294 1.00 86.91 23 A 1 ATOM 180 C CD2 . LEU A 1 23 ? 1.422 -11.481 -4.292 1.00 87.40 23 A 1 ATOM 181 N N . MET A 1 24 ? -0.044 -9.323 -0.084 1.00 95.50 24 A 1 ATOM 182 C CA . MET A 1 24 ? -0.804 -9.974 0.985 1.00 95.58 24 A 1 ATOM 183 C C . MET A 1 24 ? -1.945 -10.809 0.412 1.00 95.85 24 A 1 ATOM 184 O O . MET A 1 24 ? -2.596 -10.410 -0.558 1.00 95.81 24 A 1 ATOM 185 C CB . MET A 1 24 ? -1.347 -8.934 1.972 1.00 94.86 24 A 1 ATOM 186 C CG . MET A 1 24 ? -0.232 -8.294 2.805 1.00 91.03 24 A 1 ATOM 187 S SD . MET A 1 24 ? -0.799 -7.126 4.075 1.00 88.89 24 A 1 ATOM 188 C CE . MET A 1 24 ? -1.671 -8.239 5.212 1.00 80.18 24 A 1 ATOM 189 N N . LEU A 1 25 ? -2.210 -11.953 1.053 1.00 96.10 25 A 1 ATOM 190 C CA . LEU A 1 25 ? -3.336 -12.811 0.707 1.00 96.08 25 A 1 ATOM 191 C C . LEU A 1 25 ? -4.663 -12.192 1.192 1.00 96.27 25 A 1 ATOM 192 O O . LEU A 1 25 ? -4.678 -11.467 2.190 1.00 96.34 25 A 1 ATOM 193 C CB . LEU A 1 25 ? -3.128 -14.207 1.317 1.00 95.55 25 A 1 ATOM 194 C CG . LEU A 1 25 ? -1.882 -14.956 0.812 1.00 92.12 25 A 1 ATOM 195 C CD1 . LEU A 1 25 ? -1.741 -16.276 1.575 1.00 89.49 25 A 1 ATOM 196 C CD2 . LEU A 1 25 ? -1.966 -15.281 -0.679 1.00 90.15 25 A 1 ATOM 197 N N . PRO A 1 26 ? -5.804 -12.526 0.557 1.00 96.50 26 A 1 ATOM 198 C CA . PRO A 1 26 ? -7.116 -12.009 0.959 1.00 96.36 26 A 1 ATOM 199 C C . PRO A 1 26 ? -7.454 -12.221 2.441 1.00 96.51 26 A 1 ATOM 200 O O . PRO A 1 26 ? -8.040 -11.342 3.067 1.00 96.11 26 A 1 ATOM 201 C CB . PRO A 1 26 ? -8.113 -12.741 0.062 1.00 95.55 26 A 1 ATOM 202 C CG . PRO A 1 26 ? -7.320 -13.011 -1.206 1.00 94.48 26 A 1 ATOM 203 C CD . PRO A 1 26 ? -5.923 -13.305 -0.669 1.00 95.86 26 A 1 ATOM 204 N N . GLU A 1 27 ? -7.084 -13.365 3.016 1.00 96.55 27 A 1 ATOM 205 C CA . GLU A 1 27 ? -7.298 -13.689 4.429 1.00 96.38 27 A 1 ATOM 206 C C . GLU A 1 27 ? -6.492 -12.773 5.364 1.00 96.38 27 A 1 ATOM 207 O O . GLU A 1 27 ? -7.022 -12.316 6.370 1.00 95.48 27 A 1 ATOM 208 C CB . GLU A 1 27 ? -6.921 -15.154 4.701 1.00 96.17 27 A 1 ATOM 209 C CG . GLU A 1 27 ? -7.824 -16.199 4.018 1.00 91.03 27 A 1 ATOM 210 C CD . GLU A 1 27 ? -7.679 -16.322 2.487 1.00 85.15 27 A 1 ATOM 211 O OE1 . GLU A 1 27 ? -8.678 -16.778 1.866 1.00 76.89 27 A 1 ATOM 212 O OE2 . GLU A 1 27 ? -6.640 -15.926 1.925 1.00 77.62 27 A 1 ATOM 213 N N . GLU A 1 28 ? -5.246 -12.466 5.018 1.00 95.77 28 A 1 ATOM 214 C CA . GLU A 1 28 ? -4.389 -11.574 5.809 1.00 94.88 28 A 1 ATOM 215 C C . GLU A 1 28 ? -4.928 -10.137 5.790 1.00 94.56 28 A 1 ATOM 216 O O . GLU A 1 28 ? -4.939 -9.445 6.805 1.00 93.37 28 A 1 ATOM 217 C CB . GLU A 1 28 ? -2.963 -11.588 5.238 1.00 94.45 28 A 1 ATOM 218 C CG . GLU A 1 28 ? -2.286 -12.965 5.299 1.00 91.91 28 A 1 ATOM 219 C CD . GLU A 1 28 ? -0.926 -12.977 4.578 1.00 89.97 28 A 1 ATOM 220 O OE1 . GLU A 1 28 ? 0.044 -13.493 5.168 1.00 82.23 28 A 1 ATOM 221 O OE2 . GLU A 1 28 ? -0.870 -12.508 3.414 1.00 83.21 28 A 1 ATOM 222 N N . VAL A 1 29 ? -5.430 -9.698 4.630 1.00 94.63 29 A 1 ATOM 223 C CA . VAL A 1 29 ? -6.065 -8.382 4.490 1.00 94.51 29 A 1 ATOM 224 C C . VAL A 1 29 ? -7.368 -8.310 5.294 1.00 93.42 29 A 1 ATOM 225 O O . VAL A 1 29 ? -7.632 -7.298 5.944 1.00 92.27 29 A 1 ATOM 226 C CB . VAL A 1 29 ? -6.312 -8.059 3.007 1.00 94.59 29 A 1 ATOM 227 C CG1 . VAL A 1 29 ? -6.981 -6.693 2.836 1.00 93.22 29 A 1 ATOM 228 C CG2 . VAL A 1 29 ? -5.006 -8.014 2.211 1.00 93.45 29 A 1 ATOM 229 N N . GLU A 1 30 ? -8.174 -9.377 5.292 1.00 95.18 30 A 1 ATOM 230 C CA . GLU A 1 30 ? -9.413 -9.465 6.073 1.00 94.55 30 A 1 ATOM 231 C C . GLU A 1 30 ? -9.153 -9.342 7.581 1.00 92.85 30 A 1 ATOM 232 O O . GLU A 1 30 ? -9.904 -8.653 8.274 1.00 91.47 30 A 1 ATOM 233 C CB . GLU A 1 30 ? -10.145 -10.771 5.725 1.00 94.69 30 A 1 ATOM 234 C CG . GLU A 1 30 ? -11.500 -10.920 6.438 1.00 93.51 30 A 1 ATOM 235 C CD . GLU A 1 30 ? -12.318 -12.131 5.945 1.00 92.53 30 A 1 ATOM 236 O OE1 . GLU A 1 30 ? -13.569 -12.056 6.013 1.00 86.77 30 A 1 ATOM 237 O OE2 . GLU A 1 30 ? -11.740 -13.126 5.448 1.00 87.84 30 A 1 ATOM 238 N N . GLU A 1 31 ? -8.078 -9.934 8.100 1.00 92.97 31 A 1 ATOM 239 C CA . GLU A 1 31 ? -7.693 -9.815 9.514 1.00 91.36 31 A 1 ATOM 240 C C . GLU A 1 31 ? -7.363 -8.369 9.922 1.00 90.13 31 A 1 ATOM 241 O O . GLU A 1 31 ? -7.679 -7.952 11.035 1.00 87.50 31 A 1 ATOM 242 C CB . GLU A 1 31 ? -6.493 -10.725 9.817 1.00 91.33 31 A 1 ATOM 243 C CG . GLU A 1 31 ? -6.868 -12.215 9.825 1.00 87.48 31 A 1 ATOM 244 C CD . GLU A 1 31 ? -5.692 -13.151 10.172 1.00 83.28 31 A 1 ATOM 245 O OE1 . GLU A 1 31 ? -5.933 -14.379 10.199 1.00 76.56 31 A 1 ATOM 246 O OE2 . GLU A 1 31 ? -4.584 -12.655 10.486 1.00 77.03 31 A 1 ATOM 247 N N . VAL A 1 32 ? -6.755 -7.588 9.016 1.00 88.90 32 A 1 ATOM 248 C CA . VAL A 1 32 ? -6.340 -6.201 9.293 1.00 86.38 32 A 1 ATOM 249 C C . VAL A 1 32 ? -7.481 -5.203 9.088 1.00 86.60 32 A 1 ATOM 250 O O . VAL A 1 32 ? -7.639 -4.262 9.869 1.00 84.74 32 A 1 ATOM 251 C CB . VAL A 1 32 ? -5.117 -5.834 8.430 1.00 85.50 32 A 1 ATOM 252 C CG1 . VAL A 1 32 ? -4.662 -4.383 8.646 1.00 83.28 32 A 1 ATOM 253 C CG2 . VAL A 1 32 ? -3.920 -6.730 8.763 1.00 83.61 32 A 1 ATOM 254 N N . ILE A 1 33 ? -8.270 -5.385 8.015 1.00 88.93 33 A 1 ATOM 255 C CA . ILE A 1 33 ? -9.265 -4.400 7.557 1.00 88.84 33 A 1 ATOM 256 C C . ILE A 1 33 ? -10.701 -4.793 7.927 1.00 88.87 33 A 1 ATOM 257 O O . ILE A 1 33 ? -11.589 -3.947 7.951 1.00 86.12 33 A 1 ATOM 258 C CB . ILE A 1 33 ? -9.069 -4.138 6.044 1.00 87.75 33 A 1 ATOM 259 C CG1 . ILE A 1 33 ? -7.636 -3.593 5.842 1.00 84.53 33 A 1 ATOM 260 C CG2 . ILE A 1 33 ? -10.126 -3.194 5.452 1.00 83.05 33 A 1 ATOM 261 C CD1 . ILE A 1 33 ? -7.364 -2.948 4.494 1.00 78.83 33 A 1 ATOM 262 N N . GLY A 1 34 ? -10.957 -6.075 8.226 1.00 90.95 34 A 1 ATOM 263 C CA . GLY A 1 34 ? -12.302 -6.606 8.445 1.00 90.97 34 A 1 ATOM 264 C C . GLY A 1 34 ? -13.133 -6.725 7.165 1.00 92.05 34 A 1 ATOM 265 O O . GLY A 1 34 ? -14.347 -6.905 7.235 1.00 89.97 34 A 1 ATOM 266 N N . ASN A 1 35 ? -12.501 -6.599 5.987 1.00 92.47 35 A 1 ATOM 267 C CA . ASN A 1 35 ? -13.133 -6.738 4.682 1.00 93.19 35 A 1 ATOM 268 C C . ASN A 1 35 ? -12.222 -7.545 3.756 1.00 94.83 35 A 1 ATOM 269 O O . ASN A 1 35 ? -11.055 -7.196 3.580 1.00 94.10 35 A 1 ATOM 270 C CB . ASN A 1 35 ? -13.442 -5.344 4.115 1.00 90.50 35 A 1 ATOM 271 C CG . ASN A 1 35 ? -14.296 -5.402 2.859 1.00 83.15 35 A 1 ATOM 272 O OD1 . ASN A 1 35 ? -14.894 -6.403 2.507 1.00 76.01 35 A 1 ATOM 273 N ND2 . ASN A 1 35 ? -14.422 -4.312 2.146 1.00 75.61 35 A 1 ATOM 274 N N . LYS A 1 36 ? -12.762 -8.621 3.179 1.00 93.88 36 A 1 ATOM 275 C CA . LYS A 1 36 ? -11.991 -9.558 2.362 1.00 94.99 36 A 1 ATOM 276 C C . LYS A 1 36 ? -11.982 -9.116 0.896 1.00 95.16 36 A 1 ATOM 277 O O . LYS A 1 36 ? -13.058 -9.017 0.299 1.00 94.75 36 A 1 ATOM 278 C CB . LYS A 1 36 ? -12.559 -10.966 2.556 1.00 94.53 36 A 1 ATOM 279 C CG . LYS A 1 36 ? -11.625 -12.000 1.930 1.00 94.23 36 A 1 ATOM 280 C CD . LYS A 1 36 ? -12.075 -13.415 2.265 1.00 93.28 36 A 1 ATOM 281 C CE . LYS A 1 36 ? -11.024 -14.365 1.696 1.00 90.76 36 A 1 ATOM 282 N NZ . LYS A 1 36 ? -11.134 -15.713 2.282 1.00 85.87 36 A 1 ATOM 283 N N . PRO A 1 37 ? -10.816 -8.884 0.277 1.00 95.68 37 A 1 ATOM 284 C CA . PRO A 1 37 ? -10.726 -8.674 -1.160 1.00 95.87 37 A 1 ATOM 285 C C . PRO A 1 37 ? -10.939 -9.983 -1.937 1.00 96.20 37 A 1 ATOM 286 O O . PRO A 1 37 ? -10.801 -11.083 -1.407 1.00 95.76 37 A 1 ATOM 287 C CB . PRO A 1 37 ? -9.338 -8.075 -1.384 1.00 95.47 37 A 1 ATOM 288 C CG . PRO A 1 37 ? -8.511 -8.707 -0.271 1.00 94.96 37 A 1 ATOM 289 C CD . PRO A 1 37 ? -9.500 -8.830 0.886 1.00 96.10 37 A 1 ATOM 290 N N . GLU A 1 38 ? -11.253 -9.871 -3.233 1.00 94.53 38 A 1 ATOM 291 C CA . GLU A 1 38 ? -11.457 -11.036 -4.116 1.00 93.85 38 A 1 ATOM 292 C C . GLU A 1 38 ? -10.138 -11.664 -4.615 1.00 94.37 38 A 1 ATOM 293 O O . GLU A 1 38 ? -10.138 -12.788 -5.119 1.00 92.79 38 A 1 ATOM 294 C CB . GLU A 1 38 ? -12.324 -10.631 -5.321 1.00 92.05 38 A 1 ATOM 295 C CG . GLU A 1 38 ? -13.748 -10.196 -4.933 1.00 85.20 38 A 1 ATOM 296 C CD . GLU A 1 38 ? -14.653 -9.912 -6.152 1.00 79.26 38 A 1 ATOM 297 O OE1 . GLU A 1 38 ? -15.886 -9.801 -5.947 1.00 71.57 38 A 1 ATOM 298 O OE2 . GLU A 1 38 ? -14.134 -9.795 -7.285 1.00 71.50 38 A 1 ATOM 299 N N . SER A 1 39 ? -9.036 -10.947 -4.508 1.00 95.09 39 A 1 ATOM 300 C CA . SER A 1 39 ? -7.708 -11.342 -4.981 1.00 94.91 39 A 1 ATOM 301 C C . SER A 1 39 ? -6.622 -10.822 -4.045 1.00 95.62 39 A 1 ATOM 302 O O . SER A 1 39 ? -6.890 -9.978 -3.189 1.00 95.04 39 A 1 ATOM 303 C CB . SER A 1 39 ? -7.479 -10.800 -6.399 1.00 92.97 39 A 1 ATOM 304 O OG . SER A 1 39 ? -7.489 -9.387 -6.437 1.00 86.57 39 A 1 ATOM 305 N N . ASP A 1 40 ? -5.394 -11.277 -4.261 1.00 95.84 40 A 1 ATOM 306 C CA . ASP A 1 40 ? -4.211 -10.744 -3.582 1.00 95.94 40 A 1 ATOM 307 C C . ASP A 1 40 ? -4.130 -9.216 -3.726 1.00 96.23 40 A 1 ATOM 308 O O . ASP A 1 40 ? -4.507 -8.637 -4.752 1.00 95.38 40 A 1 ATOM 309 C CB . ASP A 1 40 ? -2.932 -11.402 -4.124 1.00 94.99 40 A 1 ATOM 310 C CG . ASP A 1 40 ? -2.862 -12.924 -3.953 1.00 92.50 40 A 1 ATOM 311 O OD1 . ASP A 1 40 ? -3.745 -13.504 -3.279 1.00 89.48 40 A 1 ATOM 312 O OD2 . ASP A 1 40 ? -1.945 -13.523 -4.557 1.00 88.65 40 A 1 ATOM 313 N N . ILE A 1 41 ? -3.637 -8.569 -2.672 1.00 96.63 41 A 1 ATOM 314 C CA . ILE A 1 41 ? -3.538 -7.116 -2.557 1.00 96.81 41 A 1 ATOM 315 C C . ILE A 1 41 ? -2.078 -6.732 -2.361 1.00 96.96 41 A 1 ATOM 316 O O . ILE A 1 41 ? -1.381 -7.280 -1.508 1.00 96.46 41 A 1 ATOM 317 C CB . ILE A 1 41 ? -4.434 -6.613 -1.401 1.00 96.02 41 A 1 ATOM 318 C CG1 . ILE A 1 41 ? -5.937 -6.803 -1.695 1.00 93.35 41 A 1 ATOM 319 C CG2 . ILE A 1 41 ? -4.158 -5.139 -1.067 1.00 94.34 41 A 1 ATOM 320 C CD1 . ILE A 1 41 ? -6.518 -5.980 -2.853 1.00 90.28 41 A 1 ATOM 321 N N . LEU A 1 42 ? -1.633 -5.740 -3.123 1.00 96.84 42 A 1 ATOM 322 C CA . LEU A 1 42 ? -0.339 -5.112 -2.910 1.00 96.76 42 A 1 ATOM 323 C C . LEU A 1 42 ? -0.501 -3.959 -1.911 1.00 97.10 42 A 1 ATOM 324 O O . LEU A 1 42 ? -1.284 -3.035 -2.133 1.00 96.80 42 A 1 ATOM 325 C CB . LEU A 1 42 ? 0.233 -4.688 -4.270 1.00 95.70 42 A 1 ATOM 326 C CG . LEU A 1 42 ? 1.739 -4.390 -4.239 1.00 88.86 42 A 1 ATOM 327 C CD1 . LEU A 1 42 ? 2.579 -5.634 -3.948 1.00 85.59 42 A 1 ATOM 328 C CD2 . LEU A 1 42 ? 2.178 -3.893 -5.616 1.00 85.78 42 A 1 ATOM 329 N N . VAL A 1 43 ? 0.228 -4.035 -0.803 1.00 96.60 43 A 1 ATOM 330 C CA . VAL A 1 43 ? 0.233 -3.024 0.257 1.00 96.63 43 A 1 ATOM 331 C C . VAL A 1 43 ? 1.474 -2.160 0.097 1.00 96.73 43 A 1 ATOM 332 O O . VAL A 1 43 ? 2.598 -2.649 0.209 1.00 96.46 43 A 1 ATOM 333 C CB . VAL A 1 43 ? 0.180 -3.666 1.651 1.00 96.10 43 A 1 ATOM 334 C CG1 . VAL A 1 43 ? 0.108 -2.596 2.747 1.00 94.34 43 A 1 ATOM 335 C CG2 . VAL A 1 43 ? -1.044 -4.577 1.791 1.00 94.60 43 A 1 ATOM 336 N N . HIS A 1 44 ? 1.264 -0.878 -0.157 1.00 96.91 44 A 1 ATOM 337 C CA . HIS A 1 44 ? 2.311 0.132 -0.273 1.00 96.86 44 A 1 ATOM 338 C C . HIS A 1 44 ? 2.382 0.937 1.018 1.00 96.98 44 A 1 ATOM 339 O O . HIS A 1 44 ? 1.429 1.643 1.346 1.00 96.60 44 A 1 ATOM 340 C CB . HIS A 1 44 ? 2.000 1.054 -1.450 1.00 96.42 44 A 1 ATOM 341 C CG . HIS A 1 44 ? 1.832 0.325 -2.752 1.00 96.14 44 A 1 ATOM 342 N ND1 . HIS A 1 44 ? 2.848 -0.212 -3.511 1.00 92.04 44 A 1 ATOM 343 C CD2 . HIS A 1 44 ? 0.651 0.069 -3.392 1.00 92.27 44 A 1 ATOM 344 C CE1 . HIS A 1 44 ? 2.287 -0.773 -4.590 1.00 93.00 44 A 1 ATOM 345 N NE2 . HIS A 1 44 ? 0.953 -0.622 -4.561 1.00 93.39 44 A 1 ATOM 346 N N . THR A 1 45 ? 3.504 0.865 1.726 1.00 96.97 45 A 1 ATOM 347 C CA . THR A 1 45 ? 3.683 1.531 3.020 1.00 96.95 45 A 1 ATOM 348 C C . THR A 1 45 ? 4.538 2.787 2.875 1.00 96.95 45 A 1 ATOM 349 O O . THR A 1 45 ? 5.635 2.759 2.315 1.00 96.48 45 A 1 ATOM 350 C CB . THR A 1 45 ? 4.267 0.576 4.065 1.00 96.13 45 A 1 ATOM 351 O OG1 . THR A 1 45 ? 3.456 -0.575 4.146 1.00 91.75 45 A 1 ATOM 352 C CG2 . THR A 1 45 ? 4.283 1.196 5.463 1.00 90.92 45 A 1 ATOM 353 N N . ALA A 1 46 ? 4.039 3.892 3.412 1.00 96.79 46 A 1 ATOM 354 C CA . ALA A 1 46 ? 4.763 5.138 3.610 1.00 96.72 46 A 1 ATOM 355 C C . ALA A 1 46 ? 4.703 5.532 5.090 1.00 96.82 46 A 1 ATOM 356 O O . ALA A 1 46 ? 3.709 5.278 5.760 1.00 96.43 46 A 1 ATOM 357 C CB . ALA A 1 46 ? 4.156 6.213 2.701 1.00 96.15 46 A 1 ATOM 358 N N . TYR A 1 47 ? 5.755 6.175 5.599 1.00 96.42 47 A 1 ATOM 359 C CA . TYR A 1 47 ? 5.805 6.646 6.981 1.00 96.26 47 A 1 ATOM 360 C C . TYR A 1 47 ? 5.769 8.172 7.018 1.00 96.18 47 A 1 ATOM 361 O O . TYR A 1 47 ? 6.508 8.834 6.282 1.00 95.90 47 A 1 ATOM 362 C CB . TYR A 1 47 ? 7.043 6.082 7.669 1.00 95.62 47 A 1 ATOM 363 C CG . TYR A 1 47 ? 7.172 6.485 9.126 1.00 92.95 47 A 1 ATOM 364 C CD1 . TYR A 1 47 ? 8.209 7.345 9.527 1.00 88.94 47 A 1 ATOM 365 C CD2 . TYR A 1 47 ? 6.253 5.998 10.077 1.00 89.10 47 A 1 ATOM 366 C CE1 . TYR A 1 47 ? 8.343 7.699 10.879 1.00 85.58 47 A 1 ATOM 367 C CE2 . TYR A 1 47 ? 6.383 6.356 11.432 1.00 86.34 47 A 1 ATOM 368 C CZ . TYR A 1 47 ? 7.436 7.203 11.834 1.00 86.73 47 A 1 ATOM 369 O OH . TYR A 1 47 ? 7.588 7.543 13.140 1.00 84.39 47 A 1 ATOM 370 N N . ASP A 1 48 ? 4.911 8.719 7.867 1.00 96.48 48 A 1 ATOM 371 C CA . ASP A 1 48 ? 4.833 10.146 8.139 1.00 96.44 48 A 1 ATOM 372 C C . ASP A 1 48 ? 5.517 10.475 9.472 1.00 96.18 48 A 1 ATOM 373 O O . ASP A 1 48 ? 4.933 10.350 10.550 1.00 95.60 48 A 1 ATOM 374 C CB . ASP A 1 48 ? 3.380 10.620 8.100 1.00 95.96 48 A 1 ATOM 375 C CG . ASP A 1 48 ? 3.255 12.141 8.283 1.00 94.65 48 A 1 ATOM 376 O OD1 . ASP A 1 48 ? 4.270 12.846 8.486 1.00 92.01 48 A 1 ATOM 377 O OD2 . ASP A 1 48 ? 2.116 12.637 8.211 1.00 91.03 48 A 1 ATOM 378 N N . GLU A 1 49 ? 6.751 10.965 9.380 1.00 95.75 49 A 1 ATOM 379 C CA . GLU A 1 49 ? 7.546 11.365 10.550 1.00 95.15 49 A 1 ATOM 380 C C . GLU A 1 49 ? 6.899 12.498 11.365 1.00 95.31 49 A 1 ATOM 381 O O . GLU A 1 49 ? 7.178 12.642 12.549 1.00 93.95 49 A 1 ATOM 382 C CB . GLU A 1 49 ? 8.941 11.837 10.096 1.00 93.85 49 A 1 ATOM 383 C CG . GLU A 1 49 ? 9.792 10.738 9.440 1.00 86.47 49 A 1 ATOM 384 C CD . GLU A 1 49 ? 11.218 11.192 9.078 1.00 82.97 49 A 1 ATOM 385 O OE1 . GLU A 1 49 ? 12.023 10.319 8.665 1.00 74.43 49 A 1 ATOM 386 O OE2 . GLU A 1 49 ? 11.528 12.406 9.196 1.00 74.73 49 A 1 ATOM 387 N N . SER A 1 50 ? 6.043 13.324 10.734 1.00 95.69 50 A 1 ATOM 388 C CA . SER A 1 50 ? 5.445 14.480 11.412 1.00 95.04 50 A 1 ATOM 389 C C . SER A 1 50 ? 4.329 14.099 12.386 1.00 95.06 50 A 1 ATOM 390 O O . SER A 1 50 ? 4.074 14.832 13.342 1.00 93.86 50 A 1 ATOM 391 C CB . SER A 1 50 ? 4.949 15.501 10.387 1.00 94.34 50 A 1 ATOM 392 O OG . SER A 1 50 ? 3.754 15.123 9.736 1.00 90.18 50 A 1 ATOM 393 N N . THR A 1 51 ? 3.663 12.967 12.134 1.00 95.71 51 A 1 ATOM 394 C CA . THR A 1 51 ? 2.546 12.461 12.944 1.00 95.50 51 A 1 ATOM 395 C C . THR A 1 51 ? 2.818 11.104 13.588 1.00 95.79 51 A 1 ATOM 396 O O . THR A 1 51 ? 2.001 10.658 14.382 1.00 94.87 51 A 1 ATOM 397 C CB . THR A 1 51 ? 1.251 12.416 12.123 1.00 94.72 51 A 1 ATOM 398 O OG1 . THR A 1 51 ? 1.403 11.745 10.897 1.00 92.66 51 A 1 ATOM 399 C CG2 . THR A 1 51 ? 0.789 13.833 11.785 1.00 91.31 51 A 1 ATOM 400 N N . ASP A 1 52 ? 3.963 10.485 13.287 1.00 96.19 52 A 1 ATOM 401 C CA . ASP A 1 52 ? 4.316 9.129 13.728 1.00 96.23 52 A 1 ATOM 402 C C . ASP A 1 52 ? 3.267 8.089 13.277 1.00 96.47 52 A 1 ATOM 403 O O . ASP A 1 52 ? 2.788 7.264 14.053 1.00 95.55 52 A 1 ATOM 404 C CB . ASP A 1 52 ? 4.633 9.139 15.235 1.00 95.13 52 A 1 ATOM 405 C CG . ASP A 1 52 ? 5.340 7.873 15.737 1.00 89.00 52 A 1 ATOM 406 O OD1 . ASP A 1 52 ? 6.099 7.263 14.951 1.00 85.20 52 A 1 ATOM 407 O OD2 . ASP A 1 52 ? 5.189 7.570 16.945 1.00 84.23 52 A 1 ATOM 408 N N . GLU A 1 53 ? 2.857 8.181 11.997 1.00 96.28 53 A 1 ATOM 409 C CA . GLU A 1 53 ? 1.820 7.340 11.394 1.00 96.56 53 A 1 ATOM 410 C C . GLU A 1 53 ? 2.380 6.528 10.218 1.00 96.80 53 A 1 ATOM 411 O O . GLU A 1 53 ? 3.133 7.035 9.381 1.00 96.27 53 A 1 ATOM 412 C CB . GLU A 1 53 ? 0.613 8.184 10.932 1.00 95.67 53 A 1 ATOM 413 C CG . GLU A 1 53 ? -0.205 8.792 12.087 1.00 92.72 53 A 1 ATOM 414 C CD . GLU A 1 53 ? -1.347 9.725 11.630 1.00 92.17 53 A 1 ATOM 415 O OE1 . GLU A 1 53 ? -2.385 9.797 12.331 1.00 85.01 53 A 1 ATOM 416 O OE2 . GLU A 1 53 ? -1.196 10.442 10.606 1.00 86.12 53 A 1 ATOM 417 N N . ASN A 1 54 ? 1.939 5.272 10.101 1.00 96.78 54 A 1 ATOM 418 C CA . ASN A 1 54 ? 2.102 4.485 8.886 1.00 96.74 54 A 1 ATOM 419 C C . ASN A 1 54 ? 0.882 4.679 7.989 1.00 97.13 54 A 1 ATOM 420 O O . ASN A 1 54 ? -0.251 4.437 8.401 1.00 96.46 54 A 1 ATOM 421 C CB . ASN A 1 54 ? 2.311 3.007 9.224 1.00 95.51 54 A 1 ATOM 422 C CG . ASN A 1 54 ? 3.658 2.759 9.867 1.00 90.83 54 A 1 ATOM 423 O OD1 . ASN A 1 54 ? 4.704 2.985 9.289 1.00 84.34 54 A 1 ATOM 424 N ND2 . ASN A 1 54 ? 3.673 2.285 11.089 1.00 83.23 54 A 1 ATOM 425 N N . VAL A 1 55 ? 1.118 5.057 6.733 1.00 96.97 55 A 1 ATOM 426 C CA . VAL A 1 55 ? 0.093 5.198 5.702 1.00 97.31 55 A 1 ATOM 427 C C . VAL A 1 55 ? 0.258 4.050 4.716 1.00 97.35 55 A 1 ATOM 428 O O . VAL A 1 55 ? 1.274 3.952 4.033 1.00 97.02 55 A 1 ATOM 429 C CB . VAL A 1 55 ? 0.182 6.567 5.013 1.00 97.10 55 A 1 ATOM 430 C CG1 . VAL A 1 55 ? -0.931 6.719 3.968 1.00 95.79 55 A 1 ATOM 431 C CG2 . VAL A 1 55 ? 0.040 7.710 6.028 1.00 96.06 55 A 1 ATOM 432 N N . MET A 1 56 ? -0.745 3.182 4.634 1.00 97.26 56 A 1 ATOM 433 C CA . MET A 1 56 ? -0.765 2.012 3.761 1.00 97.02 56 A 1 ATOM 434 C C . MET A 1 56 ? -1.825 2.197 2.680 1.00 97.28 56 A 1 ATOM 435 O O . MET A 1 56 ? -3.017 2.269 2.980 1.00 97.10 56 A 1 ATOM 436 C CB . MET A 1 56 ? -1.020 0.742 4.586 1.00 96.23 56 A 1 ATOM 437 C CG . MET A 1 56 ? 0.112 0.439 5.573 1.00 92.63 56 A 1 ATOM 438 S SD . MET A 1 56 ? -0.240 -0.966 6.668 1.00 88.81 56 A 1 ATOM 439 C CE . MET A 1 56 ? -1.338 -0.181 7.875 1.00 77.47 56 A 1 ATOM 440 N N . LEU A 1 57 ? -1.394 2.252 1.422 1.00 97.13 57 A 1 ATOM 441 C CA . LEU A 1 57 ? -2.282 2.223 0.264 1.00 97.32 57 A 1 ATOM 442 C C . LEU A 1 57 ? -2.369 0.787 -0.255 1.00 97.37 57 A 1 ATOM 443 O O . LEU A 1 57 ? -1.360 0.210 -0.654 1.00 97.26 57 A 1 ATOM 444 C CB . LEU A 1 57 ? -1.768 3.203 -0.804 1.00 97.08 57 A 1 ATOM 445 C CG . LEU A 1 57 ? -2.564 3.168 -2.121 1.00 95.66 57 A 1 ATOM 446 C CD1 . LEU A 1 57 ? -3.999 3.668 -1.944 1.00 94.37 57 A 1 ATOM 447 C CD2 . LEU A 1 57 ? -1.878 4.049 -3.162 1.00 94.73 57 A 1 ATOM 448 N N . LEU A 1 58 ? -3.575 0.237 -0.284 1.00 97.16 58 A 1 ATOM 449 C CA . LEU A 1 58 ? -3.854 -1.101 -0.780 1.00 97.23 58 A 1 ATOM 450 C C . LEU A 1 58 ? -4.361 -1.015 -2.214 1.00 97.09 58 A 1 ATOM 451 O O . LEU A 1 58 ? -5.306 -0.276 -2.498 1.00 96.67 58 A 1 ATOM 452 C CB . LEU A 1 58 ? -4.857 -1.801 0.140 1.00 97.02 58 A 1 ATOM 453 C CG . LEU A 1 58 ? -4.235 -2.326 1.447 1.00 95.66 58 A 1 ATOM 454 C CD1 . LEU A 1 58 ? -3.901 -1.229 2.463 1.00 92.89 58 A 1 ATOM 455 C CD2 . LEU A 1 58 ? -5.201 -3.308 2.098 1.00 92.48 58 A 1 ATOM 456 N N . THR A 1 59 ? -3.752 -1.783 -3.112 1.00 97.17 59 A 1 ATOM 457 C CA . THR A 1 59 ? -4.112 -1.831 -4.532 1.00 97.14 59 A 1 ATOM 458 C C . THR A 1 59 ? -4.238 -3.268 -5.028 1.00 96.96 59 A 1 ATOM 459 O O . THR A 1 59 ? -3.719 -4.194 -4.412 1.00 96.75 59 A 1 ATOM 460 C CB . THR A 1 59 ? -3.105 -1.073 -5.416 1.00 96.88 59 A 1 ATOM 461 O OG1 . THR A 1 59 ? -1.880 -1.757 -5.539 1.00 95.99 59 A 1 ATOM 462 C CG2 . THR A 1 59 ? -2.793 0.333 -4.917 1.00 95.66 59 A 1 ATOM 463 N N . SER A 1 60 ? -4.871 -3.464 -6.177 1.00 96.16 60 A 1 ATOM 464 C CA . SER A 1 60 ? -4.653 -4.692 -6.943 1.00 95.61 60 A 1 ATOM 465 C C . SER A 1 60 ? -3.170 -4.858 -7.285 1.00 95.24 60 A 1 ATOM 466 O O . SER A 1 60 ? -2.400 -3.893 -7.263 1.00 94.63 60 A 1 ATOM 467 C CB . SER A 1 60 ? -5.506 -4.711 -8.217 1.00 94.66 60 A 1 ATOM 468 O OG . SER A 1 60 ? -5.053 -3.775 -9.180 1.00 92.06 60 A 1 ATOM 469 N N . ASP A 1 61 ? -2.787 -6.083 -7.659 1.00 92.97 61 A 1 ATOM 470 C CA . ASP A 1 61 ? -1.442 -6.374 -8.151 1.00 91.76 61 A 1 ATOM 471 C C . ASP A 1 61 ? -1.148 -5.699 -9.512 1.00 91.56 61 A 1 ATOM 472 O O . ASP A 1 61 ? -2.029 -5.147 -10.192 1.00 89.46 61 A 1 ATOM 473 C CB . ASP A 1 61 ? -1.227 -7.905 -8.169 1.00 88.62 61 A 1 ATOM 474 C CG . ASP A 1 61 ? 0.244 -8.331 -8.302 1.00 83.86 61 A 1 ATOM 475 O OD1 . ASP A 1 61 ? 1.136 -7.475 -8.089 1.00 78.43 61 A 1 ATOM 476 O OD2 . ASP A 1 61 ? 0.475 -9.496 -8.698 1.00 79.54 61 A 1 ATOM 477 N N . ALA A 1 62 ? 0.129 -5.738 -9.916 1.00 89.25 62 A 1 ATOM 478 C CA . ALA A 1 62 ? 0.604 -5.248 -11.203 1.00 87.86 62 A 1 ATOM 479 C C . ALA A 1 62 ? -0.157 -5.886 -12.388 1.00 87.50 62 A 1 ATOM 480 O O . ALA A 1 62 ? -0.496 -7.065 -12.333 1.00 84.67 62 A 1 ATOM 481 C CB . ALA A 1 62 ? 2.108 -5.546 -11.290 1.00 85.50 62 A 1 ATOM 482 N N . PRO A 1 63 ? -0.372 -5.171 -13.497 1.00 88.36 63 A 1 ATOM 483 C CA . PRO A 1 63 ? 0.120 -3.817 -13.784 1.00 88.09 63 A 1 ATOM 484 C C . PRO A 1 63 ? -0.875 -2.687 -13.467 1.00 88.26 63 A 1 ATOM 485 O O . PRO A 1 63 ? -0.572 -1.525 -13.742 1.00 84.74 63 A 1 ATOM 486 C CB . PRO A 1 63 ? 0.425 -3.868 -15.283 1.00 86.30 63 A 1 ATOM 487 C CG . PRO A 1 63 ? -0.702 -4.753 -15.827 1.00 86.34 63 A 1 ATOM 488 C CD . PRO A 1 63 ? -0.893 -5.783 -14.712 1.00 88.44 63 A 1 ATOM 489 N N . GLU A 1 64 ? -2.077 -3.005 -12.970 1.00 89.18 64 A 1 ATOM 490 C CA . GLU A 1 64 ? -3.167 -2.029 -12.862 1.00 89.02 64 A 1 ATOM 491 C C . GLU A 1 64 ? -3.054 -1.139 -11.620 1.00 90.21 64 A 1 ATOM 492 O O . GLU A 1 64 ? -3.375 0.052 -11.700 1.00 89.22 64 A 1 ATOM 493 C CB . GLU A 1 64 ? -4.536 -2.730 -12.897 1.00 86.51 64 A 1 ATOM 494 C CG . GLU A 1 64 ? -4.813 -3.428 -14.240 1.00 79.91 64 A 1 ATOM 495 C CD . GLU A 1 64 ? -6.261 -3.919 -14.393 1.00 75.12 64 A 1 ATOM 496 O OE1 . GLU A 1 64 ? -6.601 -4.338 -15.525 1.00 67.54 64 A 1 ATOM 497 O OE2 . GLU A 1 64 ? -7.044 -3.834 -13.420 1.00 66.65 64 A 1 ATOM 498 N N . TYR A 1 65 ? -2.611 -1.709 -10.494 1.00 92.14 65 A 1 ATOM 499 C CA . TYR A 1 65 ? -2.513 -1.027 -9.197 1.00 92.93 65 A 1 ATOM 500 C C . TYR A 1 65 ? -3.792 -0.251 -8.839 1.00 93.74 65 A 1 ATOM 501 O O . TYR A 1 65 ? -3.743 0.902 -8.402 1.00 92.95 65 A 1 ATOM 502 C CB . TYR A 1 65 ? -1.259 -0.149 -9.139 1.00 92.20 65 A 1 ATOM 503 C CG . TYR A 1 65 ? 0.038 -0.878 -9.405 1.00 91.40 65 A 1 ATOM 504 C CD1 . TYR A 1 65 ? 0.639 -1.635 -8.382 1.00 89.43 65 A 1 ATOM 505 C CD2 . TYR A 1 65 ? 0.648 -0.788 -10.669 1.00 89.73 65 A 1 ATOM 506 C CE1 . TYR A 1 65 ? 1.862 -2.286 -8.611 1.00 88.38 65 A 1 ATOM 507 C CE2 . TYR A 1 65 ? 1.871 -1.441 -10.904 1.00 88.63 65 A 1 ATOM 508 C CZ . TYR A 1 65 ? 2.483 -2.183 -9.873 1.00 88.84 65 A 1 ATOM 509 O OH . TYR A 1 65 ? 3.680 -2.793 -10.095 1.00 86.26 65 A 1 ATOM 510 N N . LYS A 1 66 ? -4.951 -0.874 -9.067 1.00 93.87 66 A 1 ATOM 511 C CA . LYS A 1 66 ? -6.236 -0.234 -8.798 1.00 94.12 66 A 1 ATOM 512 C C . LYS A 1 66 ? -6.384 -0.010 -7.292 1.00 95.20 66 A 1 ATOM 513 O O . LYS A 1 66 ? -6.347 -0.994 -6.559 1.00 95.12 66 A 1 ATOM 514 C CB . LYS A 1 66 ? -7.364 -1.099 -9.362 1.00 92.58 66 A 1 ATOM 515 C CG . LYS A 1 66 ? -8.726 -0.429 -9.163 1.00 84.09 66 A 1 ATOM 516 C CD . LYS A 1 66 ? -9.849 -1.341 -9.654 1.00 82.07 66 A 1 ATOM 517 C CE . LYS A 1 66 ? -11.192 -0.696 -9.328 1.00 73.76 66 A 1 ATOM 518 N NZ . LYS A 1 66 ? -12.308 -1.626 -9.622 1.00 65.42 66 A 1 ATOM 519 N N . PRO A 1 67 ? -6.604 1.231 -6.819 1.00 95.48 67 A 1 ATOM 520 C CA . PRO A 1 67 ? -6.790 1.498 -5.397 1.00 95.55 67 A 1 ATOM 521 C C . PRO A 1 67 ? -8.000 0.749 -4.839 1.00 95.74 67 A 1 ATOM 522 O O . PRO A 1 67 ? -9.060 0.719 -5.468 1.00 95.04 67 A 1 ATOM 523 C CB . PRO A 1 67 ? -6.960 3.012 -5.267 1.00 94.41 67 A 1 ATOM 524 C CG . PRO A 1 67 ? -6.294 3.546 -6.526 1.00 92.06 67 A 1 ATOM 525 C CD . PRO A 1 67 ? -6.590 2.473 -7.562 1.00 94.46 67 A 1 ATOM 526 N N . TRP A 1 68 ? -7.839 0.160 -3.647 1.00 95.52 68 A 1 ATOM 527 C CA . TRP A 1 68 ? -8.878 -0.597 -2.956 1.00 95.67 68 A 1 ATOM 528 C C . TRP A 1 68 ? -9.187 -0.024 -1.569 1.00 95.96 68 A 1 ATOM 529 O O . TRP A 1 68 ? -10.349 0.204 -1.244 1.00 95.11 68 A 1 ATOM 530 C CB . TRP A 1 68 ? -8.452 -2.069 -2.894 1.00 94.90 68 A 1 ATOM 531 C CG . TRP A 1 68 ? -9.460 -2.973 -2.257 1.00 92.92 68 A 1 ATOM 532 C CD1 . TRP A 1 68 ? -10.622 -3.366 -2.822 1.00 88.20 68 A 1 ATOM 533 C CD2 . TRP A 1 68 ? -9.433 -3.575 -0.929 1.00 92.16 68 A 1 ATOM 534 N NE1 . TRP A 1 68 ? -11.315 -4.177 -1.942 1.00 85.65 68 A 1 ATOM 535 C CE2 . TRP A 1 68 ? -10.630 -4.341 -0.759 1.00 90.27 68 A 1 ATOM 536 C CE3 . TRP A 1 68 ? -8.524 -3.559 0.146 1.00 84.42 68 A 1 ATOM 537 C CZ2 . TRP A 1 68 ? -10.910 -5.055 0.416 1.00 86.74 68 A 1 ATOM 538 C CZ3 . TRP A 1 68 ? -8.794 -4.270 1.327 1.00 85.62 68 A 1 ATOM 539 C CH2 . TRP A 1 68 ? -9.984 -5.018 1.464 1.00 85.49 68 A 1 ATOM 540 N N . ALA A 1 69 ? -8.161 0.266 -0.778 1.00 96.36 69 A 1 ATOM 541 C CA . ALA A 1 69 ? -8.323 0.905 0.525 1.00 96.73 69 A 1 ATOM 542 C C . ALA A 1 69 ? -7.089 1.732 0.915 1.00 97.14 69 A 1 ATOM 543 O O . ALA A 1 69 ? -5.980 1.500 0.434 1.00 96.96 69 A 1 ATOM 544 C CB . ALA A 1 69 ? -8.616 -0.173 1.583 1.00 96.22 69 A 1 ATOM 545 N N . LEU A 1 70 ? -7.290 2.678 1.834 1.00 96.69 70 A 1 ATOM 546 C CA . LEU A 1 70 ? -6.234 3.395 2.538 1.00 96.89 70 A 1 ATOM 547 C C . LEU A 1 70 ? -6.361 3.096 4.032 1.00 96.88 70 A 1 ATOM 548 O O . LEU A 1 70 ? -7.447 3.231 4.601 1.00 96.40 70 A 1 ATOM 549 C CB . LEU A 1 70 ? -6.368 4.894 2.244 1.00 96.59 70 A 1 ATOM 550 C CG . LEU A 1 70 ? -5.223 5.750 2.823 1.00 93.63 70 A 1 ATOM 551 C CD1 . LEU A 1 70 ? -3.962 5.645 1.968 1.00 90.86 70 A 1 ATOM 552 C CD2 . LEU A 1 70 ? -5.655 7.214 2.857 1.00 91.02 70 A 1 ATOM 553 N N . VAL A 1 71 ? -5.257 2.727 4.669 1.00 96.82 71 A 1 ATOM 554 C CA . VAL A 1 71 ? -5.163 2.505 6.112 1.00 96.71 71 A 1 ATOM 555 C C . VAL A 1 71 ? -4.136 3.470 6.681 1.00 96.90 71 A 1 ATOM 556 O O . VAL A 1 71 ? -3.020 3.558 6.177 1.00 96.66 71 A 1 ATOM 557 C CB . VAL A 1 71 ? -4.801 1.050 6.450 1.00 96.02 71 A 1 ATOM 558 C CG1 . VAL A 1 71 ? -4.815 0.808 7.962 1.00 94.61 71 A 1 ATOM 559 C CG2 . VAL A 1 71 ? -5.776 0.070 5.795 1.00 94.91 71 A 1 ATOM 560 N N . ILE A 1 72 ? -4.519 4.188 7.724 1.00 96.66 72 A 1 ATOM 561 C CA . ILE A 1 72 ? -3.614 5.030 8.505 1.00 96.55 72 A 1 ATOM 562 C C . ILE A 1 72 ? -3.534 4.413 9.894 1.00 96.10 72 A 1 ATOM 563 O O . ILE A 1 72 ? -4.544 4.352 10.595 1.00 95.69 72 A 1 ATOM 564 C CB . ILE A 1 72 ? -4.080 6.502 8.533 1.00 96.56 72 A 1 ATOM 565 C CG1 . ILE A 1 72 ? -4.231 7.063 7.102 1.00 95.55 72 A 1 ATOM 566 C CG2 . ILE A 1 72 ? -3.081 7.336 9.356 1.00 95.54 72 A 1 ATOM 567 C CD1 . ILE A 1 72 ? -4.836 8.470 7.035 1.00 92.03 72 A 1 ATOM 568 N N . GLN A 1 73 ? -2.351 3.936 10.267 1.00 96.44 73 A 1 ATOM 569 C CA . GLN A 1 73 ? -2.072 3.353 11.576 1.00 96.16 73 A 1 ATOM 570 C C . GLN A 1 73 ? -1.290 4.356 12.418 1.00 96.17 73 A 1 ATOM 571 O O . GLN A 1 73 ? -0.220 4.805 12.008 1.00 95.98 73 A 1 ATOM 572 C CB . GLN A 1 73 ? -1.316 2.032 11.394 1.00 95.34 73 A 1 ATOM 573 C CG . GLN A 1 73 ? -0.986 1.369 12.737 1.00 92.59 73 A 1 ATOM 574 C CD . GLN A 1 73 ? -0.338 0.011 12.519 1.00 90.42 73 A 1 ATOM 575 O OE1 . GLN A 1 73 ? 0.835 -0.107 12.193 1.00 84.85 73 A 1 ATOM 576 N NE2 . GLN A 1 73 ? -1.081 -1.061 12.671 1.00 80.96 73 A 1 ATOM 577 N N . ASP A 1 74 ? -1.824 4.693 13.584 1.00 96.10 74 A 1 ATOM 578 C CA . ASP A 1 74 ? -1.154 5.588 14.527 1.00 95.79 74 A 1 ATOM 579 C C . ASP A 1 74 ? -0.076 4.864 15.358 1.00 95.74 74 A 1 ATOM 580 O O . ASP A 1 74 ? 0.081 3.640 15.306 1.00 94.69 74 A 1 ATOM 581 C CB . ASP A 1 74 ? -2.198 6.347 15.376 1.00 94.72 74 A 1 ATOM 582 C CG . ASP A 1 74 ? -2.805 5.576 16.557 1.00 92.22 74 A 1 ATOM 583 O OD1 . ASP A 1 74 ? -2.467 4.395 16.774 1.00 89.31 74 A 1 ATOM 584 O OD2 . ASP A 1 74 ? -3.536 6.226 17.336 1.00 88.88 74 A 1 ATOM 585 N N . SER A 1 75 ? 0.661 5.615 16.164 1.00 94.83 75 A 1 ATOM 586 C CA . SER A 1 75 ? 1.718 5.085 17.040 1.00 94.29 75 A 1 ATOM 587 C C . SER A 1 75 ? 1.227 4.121 18.130 1.00 94.40 75 A 1 ATOM 588 O O . SER A 1 75 ? 2.036 3.402 18.723 1.00 92.30 75 A 1 ATOM 589 C CB . SER A 1 75 ? 2.472 6.251 17.688 1.00 93.59 75 A 1 ATOM 590 O OG . SER A 1 75 ? 1.598 7.093 18.420 1.00 89.41 75 A 1 ATOM 591 N N . ASN A 1 76 ? -0.091 4.060 18.397 1.00 94.84 76 A 1 ATOM 592 C CA . ASN A 1 76 ? -0.699 3.089 19.316 1.00 94.89 76 A 1 ATOM 593 C C . ASN A 1 76 ? -1.123 1.798 18.598 1.00 94.60 76 A 1 ATOM 594 O O . ASN A 1 76 ? -1.574 0.853 19.251 1.00 92.54 76 A 1 ATOM 595 C CB . ASN A 1 76 ? -1.893 3.730 20.039 1.00 94.48 76 A 1 ATOM 596 C CG . ASN A 1 76 ? -1.539 5.022 20.738 1.00 90.56 76 A 1 ATOM 597 O OD1 . ASN A 1 76 ? -0.719 5.078 21.647 1.00 82.09 76 A 1 ATOM 598 N ND2 . ASN A 1 76 ? -2.153 6.106 20.325 1.00 81.89 76 A 1 ATOM 599 N N . GLY A 1 77 ? -0.977 1.737 17.271 1.00 92.52 77 A 1 ATOM 600 C CA . GLY A 1 77 ? -1.423 0.623 16.438 1.00 91.28 77 A 1 ATOM 601 C C . GLY A 1 77 ? -2.911 0.675 16.077 1.00 91.68 77 A 1 ATOM 602 O O . GLY A 1 77 ? -3.437 -0.313 15.564 1.00 89.71 77 A 1 ATOM 603 N N . GLU A 1 78 ? -3.607 1.791 16.325 1.00 91.68 78 A 1 ATOM 604 C CA . GLU A 1 78 ? -5.002 1.953 15.912 1.00 92.80 78 A 1 ATOM 605 C C . GLU A 1 78 ? -5.087 2.268 14.414 1.00 93.37 78 A 1 ATOM 606 O O . GLU A 1 78 ? -4.403 3.158 13.903 1.00 93.03 78 A 1 ATOM 607 C CB . GLU A 1 78 ? -5.745 3.028 16.724 1.00 92.46 78 A 1 ATOM 608 C CG . GLU A 1 78 ? -5.890 2.685 18.217 1.00 84.72 78 A 1 ATOM 609 C CD . GLU A 1 78 ? -6.872 3.607 18.974 1.00 78.22 78 A 1 ATOM 610 O OE1 . GLU A 1 78 ? -7.196 3.273 20.141 1.00 70.35 78 A 1 ATOM 611 O OE2 . GLU A 1 78 ? -7.370 4.602 18.395 1.00 70.69 78 A 1 ATOM 612 N N . ASN A 1 79 ? -5.968 1.547 13.703 1.00 93.58 79 A 1 ATOM 613 C CA . ASN A 1 79 ? -6.156 1.683 12.265 1.00 93.64 79 A 1 ATOM 614 C C . ASN A 1 79 ? -7.385 2.540 11.940 1.00 94.24 79 A 1 ATOM 615 O O . ASN A 1 79 ? -8.509 2.222 12.327 1.00 93.52 79 A 1 ATOM 616 C CB . ASN A 1 79 ? -6.264 0.285 11.630 1.00 92.51 79 A 1 ATOM 617 C CG . ASN A 1 79 ? -4.953 -0.486 11.643 1.00 90.81 79 A 1 ATOM 618 O OD1 . ASN A 1 79 ? -3.869 0.063 11.648 1.00 86.57 79 A 1 ATOM 619 N ND2 . ASN A 1 79 ? -5.011 -1.798 11.612 1.00 86.54 79 A 1 ATOM 620 N N . LYS A 1 80 ? -7.188 3.585 11.125 1.00 95.31 80 A 1 ATOM 621 C CA . LYS A 1 80 ? -8.265 4.285 10.413 1.00 95.64 80 A 1 ATOM 622 C C . LYS A 1 80 ? -8.306 3.772 8.983 1.00 96.25 80 A 1 ATOM 623 O O . LYS A 1 80 ? -7.327 3.900 8.252 1.00 96.11 80 A 1 ATOM 624 C CB . LYS A 1 80 ? -8.037 5.796 10.436 1.00 94.95 80 A 1 ATOM 625 C CG . LYS A 1 80 ? -8.122 6.372 11.854 1.00 83.09 80 A 1 ATOM 626 C CD . LYS A 1 80 ? -7.692 7.840 11.837 1.00 82.31 80 A 1 ATOM 627 C CE . LYS A 1 80 ? -7.553 8.352 13.268 1.00 72.04 80 A 1 ATOM 628 N NZ . LYS A 1 80 ? -6.651 9.533 13.326 1.00 64.88 80 A 1 ATOM 629 N N . ILE A 1 81 ? -9.451 3.223 8.575 1.00 94.70 81 A 1 ATOM 630 C CA . ILE A 1 81 ? -9.614 2.573 7.274 1.00 94.91 81 A 1 ATOM 631 C C . ILE A 1 81 ? -10.577 3.389 6.412 1.00 95.11 81 A 1 ATOM 632 O O . ILE A 1 81 ? -11.653 3.784 6.858 1.00 94.73 81 A 1 ATOM 633 C CB . ILE A 1 81 ? -10.081 1.111 7.453 1.00 94.48 81 A 1 ATOM 634 C CG1 . ILE A 1 81 ? -9.065 0.291 8.292 1.00 93.16 81 A 1 ATOM 635 C CG2 . ILE A 1 81 ? -10.308 0.451 6.076 1.00 93.09 81 A 1 ATOM 636 C CD1 . ILE A 1 81 ? -9.682 -0.924 8.973 1.00 89.00 81 A 1 ATOM 637 N N . LYS A 1 82 ? -10.190 3.611 5.147 1.00 94.85 82 A 1 ATOM 638 C CA . LYS A 1 82 ? -11.016 4.222 4.109 1.00 95.08 82 A 1 ATOM 639 C C . LYS A 1 82 ? -11.025 3.329 2.872 1.00 95.57 82 A 1 ATOM 640 O O . LYS A 1 82 ? -9.980 3.104 2.276 1.00 95.63 82 A 1 ATOM 641 C CB . LYS A 1 82 ? -10.478 5.628 3.813 1.00 94.75 82 A 1 ATOM 642 C CG . LYS A 1 82 ? -11.330 6.344 2.758 1.00 90.64 82 A 1 ATOM 643 C CD . LYS A 1 82 ? -10.775 7.742 2.484 1.00 88.62 82 A 1 ATOM 644 C CE . LYS A 1 82 ? -11.629 8.427 1.418 1.00 82.82 82 A 1 ATOM 645 N NZ . LYS A 1 82 ? -11.104 9.772 1.116 1.00 75.14 82 A 1 ATOM 646 N N . MET A 1 83 ? -12.205 2.865 2.466 1.00 93.60 83 A 1 ATOM 647 C CA . MET A 1 83 ? -12.377 2.181 1.174 1.00 94.00 83 A 1 ATOM 648 C C . MET A 1 83 ? -12.318 3.205 0.029 1.00 93.93 83 A 1 ATOM 649 O O . MET A 1 83 ? -12.840 4.316 0.174 1.00 92.91 83 A 1 ATOM 650 C CB . MET A 1 83 ? -13.699 1.392 1.154 1.00 92.85 83 A 1 ATOM 651 C CG . MET A 1 83 ? -13.801 0.355 2.289 1.00 89.98 83 A 1 ATOM 652 S SD . MET A 1 83 ? -12.442 -0.837 2.441 1.00 85.99 83 A 1 ATOM 653 C CE . MET A 1 83 ? -12.535 -1.681 0.839 1.00 77.42 83 A 1 ATOM 654 N N . LEU A 1 84 ? -11.671 2.839 -1.090 1.00 94.84 84 A 1 ATOM 655 C CA . LEU A 1 84 ? -11.442 3.688 -2.262 1.00 95.00 84 A 1 ATOM 656 C C . LEU A 1 84 ? -12.208 3.197 -3.497 1.00 92.91 84 A 1 ATOM 657 O O . LEU A 1 84 ? -12.498 1.984 -3.589 1.00 89.52 84 A 1 ATOM 658 C CB . LEU A 1 84 ? -9.926 3.808 -2.531 1.00 94.68 84 A 1 ATOM 659 C CG . LEU A 1 84 ? -9.099 4.480 -1.422 1.00 93.99 84 A 1 ATOM 660 C CD1 . LEU A 1 84 ? -7.628 4.547 -1.840 1.00 92.32 84 A 1 ATOM 661 C CD2 . LEU A 1 84 ? -9.565 5.907 -1.133 1.00 92.33 84 A 1 ATOM 662 O OXT . LEU A 1 84 ? -12.477 4.082 -4.368 1.00 90.44 84 A 1 #