# 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_tad7 # _entry.id tad7 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n GLU 2 1 n THR 3 1 n LYS 4 1 n GLU 5 1 n ILE 6 1 n VAL 7 1 n GLU 8 1 n LEU 9 1 n MET 10 1 n LEU 11 1 n LYS 12 1 n SER 13 1 n SER 14 1 n ASP 15 1 n HIS 16 1 n ASN 17 1 n PRO 18 1 n TYR 19 1 n THR 20 1 n GLY 21 1 n MET 22 1 n LEU 23 1 n SER 24 1 n LYS 25 1 n LYS 26 1 n ASP 27 1 n ASN 28 1 n LEU 29 1 n ILE 30 1 n ALA 31 1 n ALA 32 1 n ILE 33 1 n ASP 34 1 n LEU 35 1 n ALA 36 1 n LYS 37 1 n LEU 38 1 n CYS 39 1 n LYS 40 1 n ASP 41 1 n PHE 42 1 n ALA 43 1 n ASP 44 1 n ASN 45 1 n GLY 46 1 n GLN 47 1 n THR 48 1 n ASP 49 1 n GLU 50 1 n ALA 51 1 n MET 52 1 n GLY 53 1 n ILE 54 1 n PRO 55 1 n SER 56 1 n GLU 57 1 n GLN 58 1 n TRP 59 1 n ASP 60 1 n GLU 61 1 n VAL 62 1 n ILE 63 1 n ASP 64 1 n GLU 65 1 n LEU 66 1 n ASN 67 1 n ASN 68 1 n LEU 69 # _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 01:10:41)" _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 93.28 _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 85.11 1 1 A GLU 2 2 86.77 1 2 A THR 3 2 95.29 1 3 A LYS 4 2 86.30 1 4 A GLU 5 2 90.01 1 5 A ILE 6 2 95.10 1 6 A VAL 7 2 94.49 1 7 A GLU 8 2 89.31 1 8 A LEU 9 2 90.82 1 9 A MET 10 2 91.91 1 10 A LEU 11 2 94.58 1 11 A LYS 12 2 86.92 1 12 A SER 13 2 90.16 1 13 A SER 14 2 91.38 1 14 A ASP 15 2 91.01 1 15 A HIS 16 2 85.59 1 16 A ASN 17 2 88.27 1 17 A PRO 18 2 91.42 1 18 A TYR 19 2 87.82 1 19 A THR 20 2 89.34 1 20 A GLY 21 2 94.07 1 21 A MET 22 2 86.81 1 22 A LEU 23 2 93.87 1 23 A SER 24 2 95.09 1 24 A LYS 25 2 87.18 1 25 A LYS 26 2 89.02 1 26 A ASP 27 2 94.34 1 27 A ASN 28 2 95.70 1 28 A LEU 29 2 95.64 1 29 A ILE 30 2 96.02 1 30 A ALA 31 2 96.67 1 31 A ALA 32 2 97.25 1 32 A ILE 33 2 97.48 1 33 A ASP 34 2 94.14 1 34 A LEU 35 2 93.85 1 35 A ALA 36 2 97.73 1 36 A LYS 37 2 95.54 1 37 A LEU 38 2 94.94 1 38 A CYS 39 2 97.60 1 39 A LYS 40 2 96.72 1 40 A ASP 41 2 95.16 1 41 A PHE 42 2 97.19 1 42 A ALA 43 2 98.05 1 43 A ASP 44 2 97.27 1 44 A ASN 45 2 95.16 1 45 A GLY 46 2 96.97 1 46 A GLN 47 2 94.40 1 47 A THR 48 2 92.55 1 48 A ASP 49 2 93.36 1 49 A GLU 50 2 90.22 1 50 A ALA 51 2 96.09 1 51 A MET 52 2 92.28 1 52 A GLY 53 2 97.20 1 53 A ILE 54 2 97.27 1 54 A PRO 55 2 97.26 1 55 A SER 56 2 96.87 1 56 A GLU 57 2 89.24 1 57 A GLN 58 2 96.43 1 58 A TRP 59 2 97.44 1 59 A ASP 60 2 96.11 1 60 A GLU 61 2 94.38 1 61 A VAL 62 2 97.71 1 62 A ILE 63 2 97.93 1 63 A ASP 64 2 94.45 1 64 A GLU 65 2 91.47 1 65 A LEU 66 2 97.42 1 66 A ASN 67 2 95.11 1 67 A ASN 68 2 94.20 1 68 A LEU 69 2 93.74 1 69 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n GLU . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n GLU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n MET . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n ASP . 15 A 15 A 16 1 n HIS . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n PRO . 18 A 18 A 19 1 n TYR . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n MET . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n SER . 24 A 24 A 25 1 n LYS . 25 A 25 A 26 1 n LYS . 26 A 26 A 27 1 n ASP . 27 A 27 A 28 1 n ASN . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n ILE . 30 A 30 A 31 1 n ALA . 31 A 31 A 32 1 n ALA . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n ASP . 34 A 34 A 35 1 n LEU . 35 A 35 A 36 1 n ALA . 36 A 36 A 37 1 n LYS . 37 A 37 A 38 1 n LEU . 38 A 38 A 39 1 n CYS . 39 A 39 A 40 1 n LYS . 40 A 40 A 41 1 n ASP . 41 A 41 A 42 1 n PHE . 42 A 42 A 43 1 n ALA . 43 A 43 A 44 1 n ASP . 44 A 44 A 45 1 n ASN . 45 A 45 A 46 1 n GLY . 46 A 46 A 47 1 n GLN . 47 A 47 A 48 1 n THR . 48 A 48 A 49 1 n ASP . 49 A 49 A 50 1 n GLU . 50 A 50 A 51 1 n ALA . 51 A 51 A 52 1 n MET . 52 A 52 A 53 1 n GLY . 53 A 53 A 54 1 n ILE . 54 A 54 A 55 1 n PRO . 55 A 55 A 56 1 n SER . 56 A 56 A 57 1 n GLU . 57 A 57 A 58 1 n GLN . 58 A 58 A 59 1 n TRP . 59 A 59 A 60 1 n ASP . 60 A 60 A 61 1 n GLU . 61 A 61 A 62 1 n VAL . 62 A 62 A 63 1 n ILE . 63 A 63 A 64 1 n ASP . 64 A 64 A 65 1 n GLU . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n ASN . 67 A 67 A 68 1 n ASN . 68 A 68 A 69 1 n LEU . 69 A 69 # _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 ? 11.548 5.144 4.129 1.00 84.89 1 A 1 ATOM 2 C CA . MET A 1 1 ? 10.199 5.524 4.597 1.00 92.13 1 A 1 ATOM 3 C C . MET A 1 1 ? 9.796 4.499 5.641 1.00 94.96 1 A 1 ATOM 4 O O . MET A 1 1 ? 10.116 3.327 5.441 1.00 94.04 1 A 1 ATOM 5 C CB . MET A 1 1 ? 9.231 5.574 3.409 1.00 86.34 1 A 1 ATOM 6 C CG . MET A 1 1 ? 7.887 6.228 3.752 1.00 79.43 1 A 1 ATOM 7 S SD . MET A 1 1 ? 6.760 6.364 2.329 1.00 78.55 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.547 7.651 1.341 1.00 70.51 1 A 1 ATOM 9 N N . GLU A 1 2 ? 9.201 4.902 6.755 1.00 92.33 2 A 1 ATOM 10 C CA . GLU A 1 2 ? 8.757 3.952 7.781 1.00 93.98 2 A 1 ATOM 11 C C . GLU A 1 2 ? 7.482 3.223 7.323 1.00 95.09 2 A 1 ATOM 12 O O . GLU A 1 2 ? 6.665 3.799 6.601 1.00 94.96 2 A 1 ATOM 13 C CB . GLU A 1 2 ? 8.503 4.663 9.121 1.00 93.33 2 A 1 ATOM 14 C CG . GLU A 1 2 ? 9.767 5.294 9.728 1.00 84.34 2 A 1 ATOM 15 C CD . GLU A 1 2 ? 9.532 5.910 11.124 1.00 80.38 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? 10.535 6.345 11.733 1.00 71.71 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? 8.369 5.932 11.597 1.00 74.83 2 A 1 ATOM 18 N N . THR A 1 3 ? 7.271 1.976 7.751 1.00 94.95 3 A 1 ATOM 19 C CA . THR A 1 3 ? 6.111 1.150 7.358 1.00 95.87 3 A 1 ATOM 20 C C . THR A 1 3 ? 4.787 1.879 7.610 1.00 96.62 3 A 1 ATOM 21 O O . THR A 1 3 ? 3.921 1.934 6.735 1.00 97.05 3 A 1 ATOM 22 C CB . THR A 1 3 ? 6.149 -0.193 8.104 1.00 95.77 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? 7.391 -0.811 7.841 1.00 93.73 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? 5.052 -1.151 7.672 1.00 93.05 3 A 1 ATOM 25 N N . LYS A 1 4 ? 4.666 2.560 8.749 1.00 96.29 4 A 1 ATOM 26 C CA . LYS A 1 4 ? 3.484 3.358 9.099 1.00 95.89 4 A 1 ATOM 27 C C . LYS A 1 4 ? 3.195 4.489 8.104 1.00 96.47 4 A 1 ATOM 28 O O . LYS A 1 4 ? 2.038 4.717 7.755 1.00 96.30 4 A 1 ATOM 29 C CB . LYS A 1 4 ? 3.672 3.898 10.518 1.00 94.98 4 A 1 ATOM 30 C CG . LYS A 1 4 ? 2.402 4.590 10.995 1.00 83.82 4 A 1 ATOM 31 C CD . LYS A 1 4 ? 2.568 5.128 12.410 1.00 79.54 4 A 1 ATOM 32 C CE . LYS A 1 4 ? 1.284 5.875 12.741 1.00 70.89 4 A 1 ATOM 33 N NZ . LYS A 1 4 ? 1.393 6.584 14.031 1.00 62.54 4 A 1 ATOM 34 N N . GLU A 1 5 ? 4.221 5.189 7.626 1.00 93.51 5 A 1 ATOM 35 C CA . GLU A 1 5 ? 4.051 6.261 6.637 1.00 94.05 5 A 1 ATOM 36 C C . GLU A 1 5 ? 3.544 5.697 5.302 1.00 94.73 5 A 1 ATOM 37 O O . GLU A 1 5 ? 2.730 6.324 4.624 1.00 95.69 5 A 1 ATOM 38 C CB . GLU A 1 5 ? 5.385 6.989 6.390 1.00 95.38 5 A 1 ATOM 39 C CG . GLU A 1 5 ? 5.982 7.690 7.618 1.00 90.16 5 A 1 ATOM 40 C CD . GLU A 1 5 ? 7.341 8.337 7.282 1.00 87.67 5 A 1 ATOM 41 O OE1 . GLU A 1 5 ? 7.551 9.509 7.659 1.00 78.36 5 A 1 ATOM 42 O OE2 . GLU A 1 5 ? 8.167 7.673 6.600 1.00 80.57 5 A 1 ATOM 43 N N . ILE A 1 6 ? 3.993 4.495 4.929 1.00 94.18 6 A 1 ATOM 44 C CA . ILE A 1 6 ? 3.547 3.805 3.714 1.00 94.28 6 A 1 ATOM 45 C C . ILE A 1 6 ? 2.083 3.369 3.861 1.00 94.98 6 A 1 ATOM 46 O O . ILE A 1 6 ? 1.293 3.585 2.944 1.00 96.14 6 A 1 ATOM 47 C CB . ILE A 1 6 ? 4.467 2.610 3.379 1.00 95.95 6 A 1 ATOM 48 C CG1 . ILE A 1 6 ? 5.954 3.021 3.295 1.00 95.44 6 A 1 ATOM 49 C CG2 . ILE A 1 6 ? 4.039 2.005 2.030 1.00 95.56 6 A 1 ATOM 50 C CD1 . ILE A 1 6 ? 6.908 1.823 3.337 1.00 94.29 6 A 1 ATOM 51 N N . VAL A 1 7 ? 1.687 2.839 5.011 1.00 94.47 7 A 1 ATOM 52 C CA . VAL A 1 7 ? 0.285 2.494 5.318 1.00 94.10 7 A 1 ATOM 53 C C . VAL A 1 7 ? -0.629 3.714 5.161 1.00 94.53 7 A 1 ATOM 54 O O . VAL A 1 7 ? -1.646 3.648 4.466 1.00 95.85 7 A 1 ATOM 55 C CB . VAL A 1 7 ? 0.171 1.903 6.739 1.00 94.69 7 A 1 ATOM 56 C CG1 . VAL A 1 7 ? -1.281 1.775 7.218 1.00 93.52 7 A 1 ATOM 57 C CG2 . VAL A 1 7 ? 0.801 0.512 6.798 1.00 94.25 7 A 1 ATOM 58 N N . GLU A 1 8 ? -0.253 4.853 5.747 1.00 96.10 8 A 1 ATOM 59 C CA . GLU A 1 8 ? -1.012 6.103 5.626 1.00 95.50 8 A 1 ATOM 60 C C . GLU A 1 8 ? -1.100 6.581 4.167 1.00 94.93 8 A 1 ATOM 61 O O . GLU A 1 8 ? -2.162 7.022 3.715 1.00 95.29 8 A 1 ATOM 62 C CB . GLU A 1 8 ? -0.375 7.190 6.511 1.00 96.18 8 A 1 ATOM 63 C CG . GLU A 1 8 ? -0.614 6.946 8.011 1.00 89.37 8 A 1 ATOM 64 C CD . GLU A 1 8 ? 0.033 8.005 8.932 1.00 83.80 8 A 1 ATOM 65 O OE1 . GLU A 1 8 ? 0.025 7.786 10.170 1.00 75.47 8 A 1 ATOM 66 O OE2 . GLU A 1 8 ? 0.494 9.054 8.419 1.00 77.16 8 A 1 ATOM 67 N N . LEU A 1 9 ? -0.011 6.448 3.411 1.00 95.70 9 A 1 ATOM 68 C CA . LEU A 1 9 ? 0.022 6.789 1.990 1.00 94.84 9 A 1 ATOM 69 C C . LEU A 1 9 ? -0.903 5.889 1.162 1.00 94.78 9 A 1 ATOM 70 O O . LEU A 1 9 ? -1.623 6.401 0.302 1.00 94.84 9 A 1 ATOM 71 C CB . LEU A 1 9 ? 1.478 6.715 1.498 1.00 94.70 9 A 1 ATOM 72 C CG . LEU A 1 9 ? 1.650 7.065 0.007 1.00 86.50 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? 1.248 8.511 -0.297 1.00 81.98 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? 3.108 6.882 -0.386 1.00 83.24 9 A 1 ATOM 75 N N . MET A 1 10 ? -0.925 4.577 1.418 1.00 94.93 10 A 1 ATOM 76 C CA . MET A 1 10 ? -1.805 3.633 0.715 1.00 93.63 10 A 1 ATOM 77 C C . MET A 1 10 ? -3.277 3.952 0.974 1.00 93.47 10 A 1 ATOM 78 O O . MET A 1 10 ? -4.059 4.067 0.027 1.00 93.74 10 A 1 ATOM 79 C CB . MET A 1 10 ? -1.489 2.184 1.120 1.00 94.39 10 A 1 ATOM 80 C CG . MET A 1 10 ? -0.140 1.666 0.604 1.00 92.39 10 A 1 ATOM 81 S SD . MET A 1 10 ? 0.109 1.737 -1.195 1.00 90.91 10 A 1 ATOM 82 C CE . MET A 1 10 ? 1.056 3.278 -1.349 1.00 81.86 10 A 1 ATOM 83 N N . LEU A 1 11 ? -3.646 4.200 2.231 1.00 94.77 11 A 1 ATOM 84 C CA . LEU A 1 11 ? -5.013 4.578 2.606 1.00 94.43 11 A 1 ATOM 85 C C . LEU A 1 11 ? -5.447 5.892 1.948 1.00 94.20 11 A 1 ATOM 86 O O . LEU A 1 11 ? -6.573 6.002 1.472 1.00 94.23 11 A 1 ATOM 87 C CB . LEU A 1 11 ? -5.103 4.697 4.135 1.00 95.64 11 A 1 ATOM 88 C CG . LEU A 1 11 ? -5.040 3.355 4.879 1.00 95.41 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? -4.888 3.617 6.376 1.00 93.46 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? -6.304 2.521 4.669 1.00 94.52 11 A 1 ATOM 91 N N . LYS A 1 12 ? -4.555 6.883 1.883 1.00 95.69 12 A 1 ATOM 92 C CA . LYS A 1 12 ? -4.840 8.172 1.246 1.00 94.50 12 A 1 ATOM 93 C C . LYS A 1 12 ? -4.922 8.073 -0.276 1.00 93.84 12 A 1 ATOM 94 O O . LYS A 1 12 ? -5.707 8.784 -0.895 1.00 91.93 12 A 1 ATOM 95 C CB . LYS A 1 12 ? -3.766 9.169 1.691 1.00 94.23 12 A 1 ATOM 96 C CG . LYS A 1 12 ? -4.064 10.578 1.176 1.00 86.57 12 A 1 ATOM 97 C CD . LYS A 1 12 ? -2.986 11.540 1.670 1.00 83.54 12 A 1 ATOM 98 C CE . LYS A 1 12 ? -3.281 12.936 1.122 1.00 74.68 12 A 1 ATOM 99 N NZ . LYS A 1 12 ? -2.212 13.878 1.522 1.00 67.28 12 A 1 ATOM 100 N N . SER A 1 13 ? -4.107 7.219 -0.884 1.00 94.29 13 A 1 ATOM 101 C CA . SER A 1 13 ? -4.042 7.081 -2.346 1.00 92.49 13 A 1 ATOM 102 C C . SER A 1 13 ? -5.215 6.287 -2.923 1.00 91.83 13 A 1 ATOM 103 O O . SER A 1 13 ? -5.496 6.386 -4.115 1.00 89.91 13 A 1 ATOM 104 C CB . SER A 1 13 ? -2.720 6.421 -2.757 1.00 91.58 13 A 1 ATOM 105 O OG . SER A 1 13 ? -1.628 7.188 -2.279 1.00 80.87 13 A 1 ATOM 106 N N . SER A 1 14 ? -5.904 5.515 -2.093 1.00 93.25 14 A 1 ATOM 107 C CA . SER A 1 14 ? -7.002 4.629 -2.490 1.00 92.44 14 A 1 ATOM 108 C C . SER A 1 14 ? -8.380 5.089 -1.998 1.00 91.78 14 A 1 ATOM 109 O O . SER A 1 14 ? -9.363 4.389 -2.208 1.00 90.12 14 A 1 ATOM 110 C CB . SER A 1 14 ? -6.692 3.203 -2.029 1.00 92.33 14 A 1 ATOM 111 O OG . SER A 1 14 ? -6.560 3.158 -0.629 1.00 88.38 14 A 1 ATOM 112 N N . ASP A 1 15 ? -8.492 6.262 -1.374 1.00 93.16 15 A 1 ATOM 113 C CA . ASP A 1 15 ? -9.721 6.736 -0.717 1.00 93.44 15 A 1 ATOM 114 C C . ASP A 1 15 ? -10.839 7.175 -1.679 1.00 93.57 15 A 1 ATOM 115 O O . ASP A 1 15 ? -11.972 7.444 -1.254 1.00 91.27 15 A 1 ATOM 116 C CB . ASP A 1 15 ? -9.367 7.840 0.296 1.00 92.09 15 A 1 ATOM 117 C CG . ASP A 1 15 ? -9.019 9.213 -0.306 1.00 90.32 15 A 1 ATOM 118 O OD1 . ASP A 1 15 ? -8.798 9.315 -1.529 1.00 87.36 15 A 1 ATOM 119 O OD2 . ASP A 1 15 ? -9.021 10.191 0.483 1.00 86.88 15 A 1 ATOM 120 N N . HIS A 1 16 ? -10.550 7.237 -2.981 1.00 92.66 16 A 1 ATOM 121 C CA . HIS A 1 16 ? -11.460 7.747 -3.996 1.00 92.31 16 A 1 ATOM 122 C C . HIS A 1 16 ? -11.565 6.814 -5.204 1.00 91.94 16 A 1 ATOM 123 O O . HIS A 1 16 ? -10.574 6.423 -5.809 1.00 87.91 16 A 1 ATOM 124 C CB . HIS A 1 16 ? -11.007 9.149 -4.411 1.00 90.94 16 A 1 ATOM 125 C CG . HIS A 1 16 ? -11.996 9.834 -5.314 1.00 88.78 16 A 1 ATOM 126 N ND1 . HIS A 1 16 ? -13.092 10.551 -4.900 1.00 78.58 16 A 1 ATOM 127 C CD2 . HIS A 1 16 ? -11.995 9.857 -6.684 1.00 77.06 16 A 1 ATOM 128 C CE1 . HIS A 1 16 ? -13.727 11.003 -5.991 1.00 76.63 16 A 1 ATOM 129 N NE2 . HIS A 1 16 ? -13.100 10.606 -7.108 1.00 79.08 16 A 1 ATOM 130 N N . ASN A 1 17 ? -12.796 6.532 -5.622 1.00 90.67 17 A 1 ATOM 131 C CA . ASN A 1 17 ? -13.088 5.852 -6.874 1.00 91.00 17 A 1 ATOM 132 C C . ASN A 1 17 ? -13.587 6.871 -7.915 1.00 91.20 17 A 1 ATOM 133 O O . ASN A 1 17 ? -14.552 7.589 -7.638 1.00 90.26 17 A 1 ATOM 134 C CB . ASN A 1 17 ? -14.107 4.739 -6.601 1.00 89.59 17 A 1 ATOM 135 C CG . ASN A 1 17 ? -14.405 3.924 -7.843 1.00 88.74 17 A 1 ATOM 136 O OD1 . ASN A 1 17 ? -14.933 4.411 -8.832 1.00 82.92 17 A 1 ATOM 137 N ND2 . ASN A 1 17 ? -14.053 2.663 -7.857 1.00 81.80 17 A 1 ATOM 138 N N . PRO A 1 18 ? -13.027 6.910 -9.136 1.00 92.83 18 A 1 ATOM 139 C CA . PRO A 1 18 ? -13.420 7.879 -10.165 1.00 92.43 18 A 1 ATOM 140 C C . PRO A 1 18 ? -14.910 7.849 -10.547 1.00 93.08 18 A 1 ATOM 141 O O . PRO A 1 18 ? -15.438 8.842 -11.043 1.00 90.45 18 A 1 ATOM 142 C CB . PRO A 1 18 ? -12.550 7.543 -11.382 1.00 90.90 18 A 1 ATOM 143 C CG . PRO A 1 18 ? -11.312 6.896 -10.775 1.00 88.74 18 A 1 ATOM 144 C CD . PRO A 1 18 ? -11.868 6.143 -9.572 1.00 91.54 18 A 1 ATOM 145 N N . TYR A 1 19 ? -15.590 6.721 -10.336 1.00 93.06 19 A 1 ATOM 146 C CA . TYR A 1 19 ? -16.990 6.519 -10.721 1.00 93.32 19 A 1 ATOM 147 C C . TYR A 1 19 ? -17.965 6.674 -9.551 1.00 93.30 19 A 1 ATOM 148 O O . TYR A 1 19 ? -19.100 7.103 -9.756 1.00 90.63 19 A 1 ATOM 149 C CB . TYR A 1 19 ? -17.143 5.131 -11.349 1.00 92.90 19 A 1 ATOM 150 C CG . TYR A 1 19 ? -16.194 4.876 -12.506 1.00 90.92 19 A 1 ATOM 151 C CD1 . TYR A 1 19 ? -16.444 5.460 -13.764 1.00 85.56 19 A 1 ATOM 152 C CD2 . TYR A 1 19 ? -15.050 4.078 -12.321 1.00 85.52 19 A 1 ATOM 153 C CE1 . TYR A 1 19 ? -15.560 5.241 -14.834 1.00 82.40 19 A 1 ATOM 154 C CE2 . TYR A 1 19 ? -14.157 3.858 -13.387 1.00 82.54 19 A 1 ATOM 155 C CZ . TYR A 1 19 ? -14.418 4.439 -14.644 1.00 83.02 19 A 1 ATOM 156 O OH . TYR A 1 19 ? -13.552 4.225 -15.684 1.00 80.69 19 A 1 ATOM 157 N N . THR A 1 20 ? -17.555 6.306 -8.336 1.00 91.58 20 A 1 ATOM 158 C CA . THR A 1 20 ? -18.436 6.282 -7.155 1.00 91.33 20 A 1 ATOM 159 C C . THR A 1 20 ? -18.096 7.345 -6.108 1.00 92.24 20 A 1 ATOM 160 O O . THR A 1 20 ? -18.857 7.519 -5.160 1.00 89.30 20 A 1 ATOM 161 C CB . THR A 1 20 ? -18.476 4.886 -6.518 1.00 90.05 20 A 1 ATOM 162 O OG1 . THR A 1 20 ? -17.201 4.496 -6.071 1.00 86.74 20 A 1 ATOM 163 C CG2 . THR A 1 20 ? -18.943 3.813 -7.504 1.00 84.12 20 A 1 ATOM 164 N N . GLY A 1 21 ? -16.997 8.081 -6.282 1.00 93.45 21 A 1 ATOM 165 C CA . GLY A 1 21 ? -16.531 9.094 -5.338 1.00 94.02 21 A 1 ATOM 166 C C . GLY A 1 21 ? -15.767 8.491 -4.153 1.00 94.91 21 A 1 ATOM 167 O O . GLY A 1 21 ? -15.076 7.481 -4.298 1.00 93.91 21 A 1 ATOM 168 N N . MET A 1 22 ? -15.879 9.135 -2.987 1.00 94.89 22 A 1 ATOM 169 C CA . MET A 1 22 ? -15.211 8.687 -1.758 1.00 95.13 22 A 1 ATOM 170 C C . MET A 1 22 ? -15.661 7.279 -1.361 1.00 95.73 22 A 1 ATOM 171 O O . MET A 1 22 ? -16.861 6.994 -1.292 1.00 94.10 22 A 1 ATOM 172 C CB . MET A 1 22 ? -15.492 9.654 -0.599 1.00 93.31 22 A 1 ATOM 173 C CG . MET A 1 22 ? -14.866 11.040 -0.805 1.00 81.24 22 A 1 ATOM 174 S SD . MET A 1 22 ? -13.061 11.095 -0.942 1.00 74.90 22 A 1 ATOM 175 C CE . MET A 1 22 ? -12.548 10.502 0.693 1.00 65.22 22 A 1 ATOM 176 N N . LEU A 1 23 ? -14.697 6.425 -1.065 1.00 95.44 23 A 1 ATOM 177 C CA . LEU A 1 23 ? -14.950 5.064 -0.615 1.00 95.69 23 A 1 ATOM 178 C C . LEU A 1 23 ? -15.368 5.029 0.859 1.00 95.61 23 A 1 ATOM 179 O O . LEU A 1 23 ? -15.005 5.881 1.669 1.00 95.25 23 A 1 ATOM 180 C CB . LEU A 1 23 ? -13.717 4.186 -0.884 1.00 95.33 23 A 1 ATOM 181 C CG . LEU A 1 23 ? -13.358 3.999 -2.372 1.00 93.52 23 A 1 ATOM 182 C CD1 . LEU A 1 23 ? -12.192 3.021 -2.496 1.00 90.13 23 A 1 ATOM 183 C CD2 . LEU A 1 23 ? -14.525 3.448 -3.195 1.00 89.98 23 A 1 ATOM 184 N N . SER A 1 24 ? -16.121 4.003 1.223 1.00 95.79 24 A 1 ATOM 185 C CA . SER A 1 24 ? -16.315 3.674 2.635 1.00 95.43 24 A 1 ATOM 186 C C . SER A 1 24 ? -14.979 3.267 3.266 1.00 95.74 24 A 1 ATOM 187 O O . SER A 1 24 ? -14.069 2.811 2.576 1.00 95.67 24 A 1 ATOM 188 C CB . SER A 1 24 ? -17.370 2.571 2.792 1.00 95.15 24 A 1 ATOM 189 O OG . SER A 1 24 ? -16.837 1.285 2.573 1.00 92.76 24 A 1 ATOM 190 N N . LYS A 1 25 ? -14.849 3.373 4.595 1.00 95.46 25 A 1 ATOM 191 C CA . LYS A 1 25 ? -13.627 2.927 5.297 1.00 95.40 25 A 1 ATOM 192 C C . LYS A 1 25 ? -13.249 1.481 4.958 1.00 96.26 25 A 1 ATOM 193 O O . LYS A 1 25 ? -12.076 1.183 4.798 1.00 96.09 25 A 1 ATOM 194 C CB . LYS A 1 25 ? -13.791 3.049 6.816 1.00 94.29 25 A 1 ATOM 195 C CG . LYS A 1 25 ? -13.820 4.504 7.300 1.00 84.48 25 A 1 ATOM 196 C CD . LYS A 1 25 ? -13.801 4.527 8.834 1.00 82.20 25 A 1 ATOM 197 C CE . LYS A 1 25 ? -13.746 5.966 9.347 1.00 73.89 25 A 1 ATOM 198 N NZ . LYS A 1 25 ? -13.579 6.004 10.823 1.00 66.58 25 A 1 ATOM 199 N N . LYS A 1 26 ? -14.253 0.611 4.845 1.00 95.87 26 A 1 ATOM 200 C CA . LYS A 1 26 ? -14.046 -0.798 4.507 1.00 96.28 26 A 1 ATOM 201 C C . LYS A 1 26 ? -13.535 -0.966 3.076 1.00 96.81 26 A 1 ATOM 202 O O . LYS A 1 26 ? -12.576 -1.695 2.862 1.00 96.67 26 A 1 ATOM 203 C CB . LYS A 1 26 ? -15.356 -1.567 4.726 1.00 95.71 26 A 1 ATOM 204 C CG . LYS A 1 26 ? -15.173 -3.061 4.437 1.00 89.54 26 A 1 ATOM 205 C CD . LYS A 1 26 ? -16.489 -3.821 4.592 1.00 85.59 26 A 1 ATOM 206 C CE . LYS A 1 26 ? -16.248 -5.272 4.186 1.00 76.36 26 A 1 ATOM 207 N NZ . LYS A 1 26 ? -17.498 -6.064 4.180 1.00 68.33 26 A 1 ATOM 208 N N . ASP A 1 27 ? -14.165 -0.293 2.113 1.00 96.31 27 A 1 ATOM 209 C CA . ASP A 1 27 ? -13.779 -0.414 0.702 1.00 96.29 27 A 1 ATOM 210 C C . ASP A 1 27 ? -12.423 0.246 0.448 1.00 96.81 27 A 1 ATOM 211 O O . ASP A 1 27 ? -11.616 -0.287 -0.309 1.00 96.63 27 A 1 ATOM 212 C CB . ASP A 1 27 ? -14.862 0.197 -0.204 1.00 95.65 27 A 1 ATOM 213 C CG . ASP A 1 27 ? -16.233 -0.450 -0.012 1.00 93.41 27 A 1 ATOM 214 O OD1 . ASP A 1 27 ? -16.302 -1.689 0.151 1.00 90.22 27 A 1 ATOM 215 O OD2 . ASP A 1 27 ? -17.212 0.327 0.091 1.00 89.37 27 A 1 ATOM 216 N N . ASN A 1 28 ? -12.130 1.364 1.143 1.00 96.48 28 A 1 ATOM 217 C CA . ASN A 1 28 ? -10.821 2.002 1.105 1.00 97.08 28 A 1 ATOM 218 C C . ASN A 1 28 ? -9.718 1.076 1.635 1.00 97.36 28 A 1 ATOM 219 O O . ASN A 1 28 ? -8.679 0.944 1.003 1.00 97.40 28 A 1 ATOM 220 C CB . ASN A 1 28 ? -10.872 3.321 1.897 1.00 96.90 28 A 1 ATOM 221 C CG . ASN A 1 28 ? -9.573 4.099 1.749 1.00 96.43 28 A 1 ATOM 222 O OD1 . ASN A 1 28 ? -8.831 3.924 0.809 1.00 92.45 28 A 1 ATOM 223 N ND2 . ASN A 1 28 ? -9.257 4.992 2.652 1.00 91.49 28 A 1 ATOM 224 N N . LEU A 1 29 ? -9.960 0.393 2.750 1.00 96.84 29 A 1 ATOM 225 C CA . LEU A 1 29 ? -8.998 -0.568 3.296 1.00 97.28 29 A 1 ATOM 226 C C . LEU A 1 29 ? -8.709 -1.709 2.307 1.00 97.35 29 A 1 ATOM 227 O O . LEU A 1 29 ? -7.550 -2.053 2.091 1.00 97.31 29 A 1 ATOM 228 C CB . LEU A 1 29 ? -9.530 -1.091 4.640 1.00 97.34 29 A 1 ATOM 229 C CG . LEU A 1 29 ? -8.597 -2.105 5.326 1.00 94.52 29 A 1 ATOM 230 C CD1 . LEU A 1 29 ? -7.227 -1.502 5.631 1.00 91.95 29 A 1 ATOM 231 C CD2 . LEU A 1 29 ? -9.236 -2.557 6.640 1.00 92.56 29 A 1 ATOM 232 N N . ILE A 1 30 ? -9.743 -2.254 1.664 1.00 97.07 30 A 1 ATOM 233 C CA . ILE A 1 30 ? -9.576 -3.291 0.632 1.00 96.92 30 A 1 ATOM 234 C C . ILE A 1 30 ? -8.746 -2.744 -0.537 1.00 96.91 30 A 1 ATOM 235 O O . ILE A 1 30 ? -7.772 -3.375 -0.946 1.00 96.71 30 A 1 ATOM 236 C CB . ILE A 1 30 ? -10.955 -3.823 0.168 1.00 96.86 30 A 1 ATOM 237 C CG1 . ILE A 1 30 ? -11.650 -4.581 1.326 1.00 96.03 30 A 1 ATOM 238 C CG2 . ILE A 1 30 ? -10.809 -4.750 -1.055 1.00 95.88 30 A 1 ATOM 239 C CD1 . ILE A 1 30 ? -13.136 -4.864 1.075 1.00 91.74 30 A 1 ATOM 240 N N . ALA A 1 31 ? -9.078 -1.551 -1.035 1.00 96.93 31 A 1 ATOM 241 C CA . ALA A 1 31 ? -8.350 -0.920 -2.133 1.00 96.55 31 A 1 ATOM 242 C C . ALA A 1 31 ? -6.885 -0.606 -1.764 1.00 96.92 31 A 1 ATOM 243 O O . ALA A 1 31 ? -5.994 -0.772 -2.596 1.00 96.89 31 A 1 ATOM 244 C CB . ALA A 1 31 ? -9.119 0.342 -2.548 1.00 96.04 31 A 1 ATOM 245 N N . ALA A 1 32 ? -6.618 -0.193 -0.522 1.00 96.61 32 A 1 ATOM 246 C CA . ALA A 1 32 ? -5.264 0.044 -0.022 1.00 97.23 32 A 1 ATOM 247 C C . ALA A 1 32 ? -4.430 -1.243 0.020 1.00 97.51 32 A 1 ATOM 248 O O . ALA A 1 32 ? -3.270 -1.236 -0.392 1.00 97.58 32 A 1 ATOM 249 C CB . ALA A 1 32 ? -5.358 0.687 1.369 1.00 97.33 32 A 1 ATOM 250 N N . ILE A 1 33 ? -5.024 -2.349 0.467 1.00 97.58 33 A 1 ATOM 251 C CA . ILE A 1 33 ? -4.372 -3.667 0.473 1.00 97.76 33 A 1 ATOM 252 C C . ILE A 1 33 ? -4.054 -4.115 -0.958 1.00 97.58 33 A 1 ATOM 253 O O . ILE A 1 33 ? -2.944 -4.577 -1.223 1.00 97.54 33 A 1 ATOM 254 C CB . ILE A 1 33 ? -5.256 -4.701 1.213 1.00 98.07 33 A 1 ATOM 255 C CG1 . ILE A 1 33 ? -5.309 -4.378 2.724 1.00 97.66 33 A 1 ATOM 256 C CG2 . ILE A 1 33 ? -4.736 -6.139 1.006 1.00 97.30 33 A 1 ATOM 257 C CD1 . ILE A 1 33 ? -6.446 -5.092 3.464 1.00 96.36 33 A 1 ATOM 258 N N . ASP A 1 34 ? -4.998 -3.963 -1.890 1.00 97.72 34 A 1 ATOM 259 C CA . ASP A 1 34 ? -4.784 -4.345 -3.289 1.00 97.41 34 A 1 ATOM 260 C C . ASP A 1 34 ? -3.703 -3.482 -3.957 1.00 97.46 34 A 1 ATOM 261 O O . ASP A 1 34 ? -2.858 -4.004 -4.688 1.00 96.95 34 A 1 ATOM 262 C CB . ASP A 1 34 ? -6.113 -4.277 -4.056 1.00 96.84 34 A 1 ATOM 263 C CG . ASP A 1 34 ? -7.100 -5.395 -3.687 1.00 91.90 34 A 1 ATOM 264 O OD1 . ASP A 1 34 ? -6.671 -6.425 -3.098 1.00 87.97 34 A 1 ATOM 265 O OD2 . ASP A 1 34 ? -8.291 -5.242 -4.045 1.00 86.91 34 A 1 ATOM 266 N N . LEU A 1 35 ? -3.659 -2.186 -3.646 1.00 96.68 35 A 1 ATOM 267 C CA . LEU A 1 35 ? -2.598 -1.287 -4.108 1.00 96.47 35 A 1 ATOM 268 C C . LEU A 1 35 ? -1.230 -1.680 -3.535 1.00 97.13 35 A 1 ATOM 269 O O . LEU A 1 35 ? -0.252 -1.738 -4.280 1.00 97.19 35 A 1 ATOM 270 C CB . LEU A 1 35 ? -2.979 0.162 -3.750 1.00 95.64 35 A 1 ATOM 271 C CG . LEU A 1 35 ? -1.953 1.215 -4.217 1.00 90.41 35 A 1 ATOM 272 C CD1 . LEU A 1 35 ? -1.765 1.220 -5.736 1.00 88.07 35 A 1 ATOM 273 C CD2 . LEU A 1 35 ? -2.431 2.608 -3.793 1.00 89.21 35 A 1 ATOM 274 N N . ALA A 1 36 ? -1.149 -1.993 -2.239 1.00 97.30 36 A 1 ATOM 275 C CA . ALA A 1 36 ? 0.094 -2.433 -1.605 1.00 97.62 36 A 1 ATOM 276 C C . ALA A 1 36 ? 0.607 -3.754 -2.204 1.00 97.85 36 A 1 ATOM 277 O O . ALA A 1 36 ? 1.804 -3.884 -2.463 1.00 98.03 36 A 1 ATOM 278 C CB . ALA A 1 36 ? -0.135 -2.543 -0.093 1.00 97.83 36 A 1 ATOM 279 N N . LYS A 1 37 ? -0.290 -4.698 -2.511 1.00 98.05 37 A 1 ATOM 280 C CA . LYS A 1 37 ? 0.066 -5.943 -3.215 1.00 98.20 37 A 1 ATOM 281 C C . LYS A 1 37 ? 0.614 -5.669 -4.612 1.00 98.21 37 A 1 ATOM 282 O O . LYS A 1 37 ? 1.621 -6.262 -4.985 1.00 98.14 37 A 1 ATOM 283 C CB . LYS A 1 37 ? -1.155 -6.858 -3.320 1.00 98.30 37 A 1 ATOM 284 C CG . LYS A 1 37 ? -1.500 -7.514 -1.980 1.00 97.10 37 A 1 ATOM 285 C CD . LYS A 1 37 ? -2.840 -8.229 -2.132 1.00 95.34 37 A 1 ATOM 286 C CE . LYS A 1 37 ? -3.255 -8.862 -0.811 1.00 91.49 37 A 1 ATOM 287 N NZ . LYS A 1 37 ? -4.665 -9.307 -0.893 1.00 84.99 37 A 1 ATOM 288 N N . LEU A 1 38 ? 0.014 -4.745 -5.355 1.00 97.94 38 A 1 ATOM 289 C CA . LEU A 1 38 ? 0.524 -4.349 -6.669 1.00 97.75 38 A 1 ATOM 290 C C . LEU A 1 38 ? 1.932 -3.740 -6.570 1.00 98.03 38 A 1 ATOM 291 O O . LEU A 1 38 ? 2.807 -4.069 -7.367 1.00 97.97 38 A 1 ATOM 292 C CB . LEU A 1 38 ? -0.478 -3.373 -7.306 1.00 97.41 38 A 1 ATOM 293 C CG . LEU A 1 38 ? -0.060 -2.875 -8.701 1.00 92.04 38 A 1 ATOM 294 C CD1 . LEU A 1 38 ? 0.024 -4.018 -9.716 1.00 88.65 38 A 1 ATOM 295 C CD2 . LEU A 1 38 ? -1.083 -1.856 -9.203 1.00 89.71 38 A 1 ATOM 296 N N . CYS A 1 39 ? 2.181 -2.876 -5.579 1.00 97.84 39 A 1 ATOM 297 C CA . CYS A 1 39 ? 3.515 -2.318 -5.340 1.00 97.86 39 A 1 ATOM 298 C C . CYS A 1 39 ? 4.525 -3.401 -4.935 1.00 98.17 39 A 1 ATOM 299 O O . CYS A 1 39 ? 5.676 -3.356 -5.375 1.00 98.16 39 A 1 ATOM 300 C CB . CYS A 1 39 ? 3.415 -1.234 -4.265 1.00 97.55 39 A 1 ATOM 301 S SG . CYS A 1 39 ? 2.471 0.194 -4.880 1.00 96.04 39 A 1 ATOM 302 N N . LYS A 1 40 ? 4.103 -4.390 -4.153 1.00 98.23 40 A 1 ATOM 303 C CA . LYS A 1 40 ? 4.920 -5.571 -3.835 1.00 98.47 40 A 1 ATOM 304 C C . LYS A 1 40 ? 5.293 -6.346 -5.098 1.00 98.52 40 A 1 ATOM 305 O O . LYS A 1 40 ? 6.468 -6.639 -5.293 1.00 98.46 40 A 1 ATOM 306 C CB . LYS A 1 40 ? 4.178 -6.463 -2.829 1.00 98.48 40 A 1 ATOM 307 C CG . LYS A 1 40 ? 5.061 -7.640 -2.406 1.00 98.06 40 A 1 ATOM 308 C CD . LYS A 1 40 ? 4.287 -8.651 -1.555 1.00 97.03 40 A 1 ATOM 309 C CE . LYS A 1 40 ? 5.080 -9.897 -1.180 1.00 93.91 40 A 1 ATOM 310 N NZ . LYS A 1 40 ? 6.480 -9.972 -1.624 1.00 89.32 40 A 1 ATOM 311 N N . ASP A 1 41 ? 4.329 -6.606 -5.984 1.00 98.52 41 A 1 ATOM 312 C CA . ASP A 1 41 ? 4.586 -7.293 -7.254 1.00 98.42 41 A 1 ATOM 313 C C . ASP A 1 41 ? 5.603 -6.522 -8.110 1.00 98.52 41 A 1 ATOM 314 O O . ASP A 1 41 ? 6.477 -7.123 -8.733 1.00 98.21 41 A 1 ATOM 315 C CB . ASP A 1 41 ? 3.278 -7.477 -8.044 1.00 98.11 41 A 1 ATOM 316 C CG . ASP A 1 41 ? 2.310 -8.526 -7.478 1.00 92.76 41 A 1 ATOM 317 O OD1 . ASP A 1 41 ? 2.730 -9.371 -6.659 1.00 88.73 41 A 1 ATOM 318 O OD2 . ASP A 1 41 ? 1.140 -8.521 -7.939 1.00 88.00 41 A 1 ATOM 319 N N . PHE A 1 42 ? 5.553 -5.186 -8.123 1.00 98.47 42 A 1 ATOM 320 C CA . PHE A 1 42 ? 6.574 -4.369 -8.782 1.00 98.47 42 A 1 ATOM 321 C C . PHE A 1 42 ? 7.956 -4.547 -8.145 1.00 98.54 42 A 1 ATOM 322 O O . PHE A 1 42 ? 8.937 -4.739 -8.867 1.00 98.25 42 A 1 ATOM 323 C CB . PHE A 1 42 ? 6.162 -2.890 -8.782 1.00 98.29 42 A 1 ATOM 324 C CG . PHE A 1 42 ? 4.958 -2.532 -9.636 1.00 97.91 42 A 1 ATOM 325 C CD1 . PHE A 1 42 ? 4.805 -3.075 -10.924 1.00 96.52 42 A 1 ATOM 326 C CD2 . PHE A 1 42 ? 4.009 -1.613 -9.151 1.00 96.55 42 A 1 ATOM 327 C CE1 . PHE A 1 42 ? 3.706 -2.713 -11.723 1.00 95.42 42 A 1 ATOM 328 C CE2 . PHE A 1 42 ? 2.913 -1.245 -9.951 1.00 95.44 42 A 1 ATOM 329 C CZ . PHE A 1 42 ? 2.759 -1.798 -11.236 1.00 95.23 42 A 1 ATOM 330 N N . ALA A 1 43 ? 8.044 -4.544 -6.816 1.00 98.21 43 A 1 ATOM 331 C CA . ALA A 1 43 ? 9.295 -4.779 -6.101 1.00 98.16 43 A 1 ATOM 332 C C . ALA A 1 43 ? 9.880 -6.165 -6.415 1.00 98.04 43 A 1 ATOM 333 O O . ALA A 1 43 ? 11.066 -6.275 -6.728 1.00 97.69 43 A 1 ATOM 334 C CB . ALA A 1 43 ? 9.052 -4.592 -4.598 1.00 98.16 43 A 1 ATOM 335 N N . ASP A 1 44 ? 9.043 -7.205 -6.413 1.00 98.43 44 A 1 ATOM 336 C CA . ASP A 1 44 ? 9.434 -8.587 -6.723 1.00 98.25 44 A 1 ATOM 337 C C . ASP A 1 44 ? 9.945 -8.746 -8.162 1.00 98.22 44 A 1 ATOM 338 O O . ASP A 1 44 ? 10.853 -9.539 -8.426 1.00 97.59 44 A 1 ATOM 339 C CB . ASP A 1 44 ? 8.233 -9.524 -6.486 1.00 97.96 44 A 1 ATOM 340 C CG . ASP A 1 44 ? 7.930 -9.760 -5.004 1.00 97.35 44 A 1 ATOM 341 O OD1 . ASP A 1 44 ? 8.875 -9.675 -4.190 1.00 95.32 44 A 1 ATOM 342 O OD2 . ASP A 1 44 ? 6.779 -10.076 -4.639 1.00 95.04 44 A 1 ATOM 343 N N . ASN A 1 45 ? 9.408 -7.957 -9.096 1.00 98.22 45 A 1 ATOM 344 C CA . ASN A 1 45 ? 9.823 -7.949 -10.499 1.00 98.05 45 A 1 ATOM 345 C C . ASN A 1 45 ? 10.984 -6.980 -10.800 1.00 98.08 45 A 1 ATOM 346 O O . ASN A 1 45 ? 11.372 -6.819 -11.962 1.00 97.06 45 A 1 ATOM 347 C CB . ASN A 1 45 ? 8.587 -7.700 -11.377 1.00 97.78 45 A 1 ATOM 348 C CG . ASN A 1 45 ? 7.661 -8.902 -11.404 1.00 96.23 45 A 1 ATOM 349 O OD1 . ASN A 1 45 ? 8.027 -9.982 -11.836 1.00 88.43 45 A 1 ATOM 350 N ND2 . ASN A 1 45 ? 6.439 -8.763 -10.967 1.00 87.41 45 A 1 ATOM 351 N N . GLY A 1 46 ? 11.557 -6.329 -9.783 1.00 97.45 46 A 1 ATOM 352 C CA . GLY A 1 46 ? 12.659 -5.374 -9.948 1.00 96.96 46 A 1 ATOM 353 C C . GLY A 1 46 ? 12.248 -4.026 -10.550 1.00 97.35 46 A 1 ATOM 354 O O . GLY A 1 46 ? 13.120 -3.254 -10.958 1.00 96.12 46 A 1 ATOM 355 N N . GLN A 1 47 ? 10.947 -3.728 -10.595 1.00 97.95 47 A 1 ATOM 356 C CA . GLN A 1 47 ? 10.404 -2.433 -11.015 1.00 97.83 47 A 1 ATOM 357 C C . GLN A 1 47 ? 10.462 -1.452 -9.837 1.00 97.60 47 A 1 ATOM 358 O O . GLN A 1 47 ? 9.472 -1.133 -9.185 1.00 96.72 47 A 1 ATOM 359 C CB . GLN A 1 47 ? 8.985 -2.608 -11.568 1.00 97.84 47 A 1 ATOM 360 C CG . GLN A 1 47 ? 8.949 -3.483 -12.818 1.00 96.11 47 A 1 ATOM 361 C CD . GLN A 1 47 ? 7.537 -3.541 -13.393 1.00 93.68 47 A 1 ATOM 362 O OE1 . GLN A 1 47 ? 6.823 -4.510 -13.236 1.00 87.63 47 A 1 ATOM 363 N NE2 . GLN A 1 47 ? 7.100 -2.499 -14.069 1.00 84.27 47 A 1 ATOM 364 N N . THR A 1 48 ? 11.687 -1.021 -9.522 1.00 96.81 48 A 1 ATOM 365 C CA . THR A 1 48 ? 11.987 -0.251 -8.307 1.00 95.96 48 A 1 ATOM 366 C C . THR A 1 48 ? 11.273 1.101 -8.263 1.00 96.06 48 A 1 ATOM 367 O O . THR A 1 48 ? 10.830 1.512 -7.193 1.00 94.82 48 A 1 ATOM 368 C CB . THR A 1 48 ? 13.502 -0.042 -8.188 1.00 94.29 48 A 1 ATOM 369 O OG1 . THR A 1 48 ? 14.169 -1.279 -8.293 1.00 86.35 48 A 1 ATOM 370 C CG2 . THR A 1 48 ? 13.928 0.555 -6.850 1.00 83.54 48 A 1 ATOM 371 N N . ASP A 1 49 ? 11.134 1.783 -9.401 1.00 97.40 49 A 1 ATOM 372 C CA . ASP A 1 49 ? 10.475 3.093 -9.467 1.00 97.24 49 A 1 ATOM 373 C C . ASP A 1 49 ? 8.972 2.967 -9.179 1.00 97.24 49 A 1 ATOM 374 O O . ASP A 1 49 ? 8.421 3.714 -8.372 1.00 96.27 49 A 1 ATOM 375 C CB . ASP A 1 49 ? 10.728 3.741 -10.841 1.00 96.52 49 A 1 ATOM 376 C CG . ASP A 1 49 ? 12.176 4.214 -11.063 1.00 90.18 49 A 1 ATOM 377 O OD1 . ASP A 1 49 ? 12.925 4.378 -10.072 1.00 86.27 49 A 1 ATOM 378 O OD2 . ASP A 1 49 ? 12.529 4.455 -12.239 1.00 85.73 49 A 1 ATOM 379 N N . GLU A 1 50 ? 8.311 1.967 -9.772 1.00 95.89 50 A 1 ATOM 380 C CA . GLU A 1 50 ? 6.896 1.659 -9.546 1.00 95.75 50 A 1 ATOM 381 C C . GLU A 1 50 ? 6.626 1.150 -8.122 1.00 95.73 50 A 1 ATOM 382 O O . GLU A 1 50 ? 5.564 1.415 -7.554 1.00 94.37 50 A 1 ATOM 383 C CB . GLU A 1 50 ? 6.411 0.626 -10.577 1.00 95.40 50 A 1 ATOM 384 C CG . GLU A 1 50 ? 6.454 1.124 -12.035 1.00 91.13 50 A 1 ATOM 385 C CD . GLU A 1 50 ? 7.758 0.807 -12.793 1.00 87.40 50 A 1 ATOM 386 O OE1 . GLU A 1 50 ? 7.661 0.616 -14.028 1.00 77.63 50 A 1 ATOM 387 O OE2 . GLU A 1 50 ? 8.838 0.727 -12.161 1.00 78.70 50 A 1 ATOM 388 N N . ALA A 1 51 ? 7.617 0.477 -7.524 1.00 95.99 51 A 1 ATOM 389 C CA . ALA A 1 51 ? 7.600 0.074 -6.117 1.00 96.24 51 A 1 ATOM 390 C C . ALA A 1 51 ? 8.018 1.199 -5.151 1.00 96.32 51 A 1 ATOM 391 O O . ALA A 1 51 ? 8.212 0.949 -3.958 1.00 95.73 51 A 1 ATOM 392 C CB . ALA A 1 51 ? 8.477 -1.172 -5.960 1.00 96.15 51 A 1 ATOM 393 N N . MET A 1 52 ? 8.185 2.429 -5.635 1.00 96.25 52 A 1 ATOM 394 C CA . MET A 1 52 ? 8.593 3.604 -4.847 1.00 95.65 52 A 1 ATOM 395 C C . MET A 1 52 ? 9.954 3.443 -4.138 1.00 96.34 52 A 1 ATOM 396 O O . MET A 1 52 ? 10.221 4.087 -3.119 1.00 95.30 52 A 1 ATOM 397 C CB . MET A 1 52 ? 7.479 3.995 -3.867 1.00 94.44 52 A 1 ATOM 398 C CG . MET A 1 52 ? 6.103 4.180 -4.520 1.00 91.79 52 A 1 ATOM 399 S SD . MET A 1 52 ? 4.778 4.547 -3.337 1.00 88.54 52 A 1 ATOM 400 C CE . MET A 1 52 ? 5.448 6.040 -2.563 1.00 79.94 52 A 1 ATOM 401 N N . GLY A 1 53 ? 10.829 2.580 -4.655 1.00 97.06 53 A 1 ATOM 402 C CA . GLY A 1 53 ? 12.111 2.244 -4.028 1.00 97.07 53 A 1 ATOM 403 C C . GLY A 1 53 ? 11.991 1.444 -2.727 1.00 97.71 53 A 1 ATOM 404 O O . GLY A 1 53 ? 12.973 1.337 -1.991 1.00 96.97 53 A 1 ATOM 405 N N . ILE A 1 54 ? 10.810 0.911 -2.425 1.00 97.34 54 A 1 ATOM 406 C CA . ILE A 1 54 ? 10.533 0.149 -1.201 1.00 97.66 54 A 1 ATOM 407 C C . ILE A 1 54 ? 10.745 -1.344 -1.498 1.00 97.86 54 A 1 ATOM 408 O O . ILE A 1 54 ? 10.194 -1.854 -2.473 1.00 97.80 54 A 1 ATOM 409 C CB . ILE A 1 54 ? 9.113 0.461 -0.688 1.00 97.79 54 A 1 ATOM 410 C CG1 . ILE A 1 54 ? 8.985 1.963 -0.332 1.00 97.19 54 A 1 ATOM 411 C CG2 . ILE A 1 54 ? 8.763 -0.411 0.529 1.00 97.29 54 A 1 ATOM 412 C CD1 . ILE A 1 54 ? 7.544 2.439 -0.165 1.00 95.26 54 A 1 ATOM 413 N N . PRO A 1 55 ? 11.537 -2.060 -0.675 1.00 97.64 55 A 1 ATOM 414 C CA . PRO A 1 55 ? 11.795 -3.477 -0.895 1.00 97.54 55 A 1 ATOM 415 C C . PRO A 1 55 ? 10.544 -4.329 -0.642 1.00 97.85 55 A 1 ATOM 416 O O . PRO A 1 55 ? 9.701 -3.995 0.187 1.00 97.72 55 A 1 ATOM 417 C CB . PRO A 1 55 ? 12.940 -3.831 0.059 1.00 96.95 55 A 1 ATOM 418 C CG . PRO A 1 55 ? 12.750 -2.850 1.216 1.00 95.82 55 A 1 ATOM 419 C CD . PRO A 1 55 ? 12.238 -1.595 0.512 1.00 97.29 55 A 1 ATOM 420 N N . SER A 1 56 ? 10.466 -5.482 -1.310 1.00 97.85 56 A 1 ATOM 421 C CA . SER A 1 56 ? 9.349 -6.434 -1.206 1.00 97.88 56 A 1 ATOM 422 C C . SER A 1 56 ? 9.018 -6.832 0.242 1.00 98.10 56 A 1 ATOM 423 O O . SER A 1 56 ? 7.853 -6.851 0.625 1.00 97.87 56 A 1 ATOM 424 C CB . SER A 1 56 ? 9.704 -7.682 -2.019 1.00 97.26 56 A 1 ATOM 425 O OG . SER A 1 56 ? 8.648 -8.620 -1.957 1.00 92.28 56 A 1 ATOM 426 N N . GLU A 1 57 ? 10.037 -7.075 1.063 1.00 97.54 57 A 1 ATOM 427 C CA . GLU A 1 57 ? 9.882 -7.444 2.481 1.00 97.53 57 A 1 ATOM 428 C C . GLU A 1 57 ? 9.134 -6.369 3.283 1.00 97.92 57 A 1 ATOM 429 O O . GLU A 1 57 ? 8.284 -6.678 4.113 1.00 97.51 57 A 1 ATOM 430 C CB . GLU A 1 57 ? 11.285 -7.656 3.078 1.00 96.91 57 A 1 ATOM 431 C CG . GLU A 1 57 ? 12.036 -8.843 2.439 1.00 86.49 57 A 1 ATOM 432 C CD . GLU A 1 57 ? 13.558 -8.831 2.684 1.00 82.10 57 A 1 ATOM 433 O OE1 . GLU A 1 57 ? 14.215 -9.806 2.248 1.00 72.99 57 A 1 ATOM 434 O OE2 . GLU A 1 57 ? 14.084 -7.837 3.239 1.00 74.20 57 A 1 ATOM 435 N N . GLN A 1 58 ? 9.394 -5.086 2.990 1.00 97.94 58 A 1 ATOM 436 C CA . GLN A 1 58 ? 8.692 -3.990 3.653 1.00 98.14 58 A 1 ATOM 437 C C . GLN A 1 58 ? 7.242 -3.866 3.160 1.00 98.33 58 A 1 ATOM 438 O O . GLN A 1 58 ? 6.364 -3.459 3.918 1.00 98.20 58 A 1 ATOM 439 C CB . GLN A 1 58 ? 9.485 -2.694 3.463 1.00 97.90 58 A 1 ATOM 440 C CG . GLN A 1 58 ? 8.951 -1.591 4.390 1.00 96.48 58 A 1 ATOM 441 C CD . GLN A 1 58 ? 9.777 -0.313 4.362 1.00 96.71 58 A 1 ATOM 442 O OE1 . GLN A 1 58 ? 10.657 -0.081 3.543 1.00 93.06 58 A 1 ATOM 443 N NE2 . GLN A 1 58 ? 9.515 0.596 5.272 1.00 91.09 58 A 1 ATOM 444 N N . TRP A 1 59 ? 6.953 -4.226 1.895 1.00 98.05 59 A 1 ATOM 445 C CA . TRP A 1 59 ? 5.576 -4.312 1.411 1.00 98.19 59 A 1 ATOM 446 C C . TRP A 1 59 ? 4.786 -5.417 2.110 1.00 98.34 59 A 1 ATOM 447 O O . TRP A 1 59 ? 3.601 -5.211 2.382 1.00 98.25 59 A 1 ATOM 448 C CB . TRP A 1 59 ? 5.553 -4.495 -0.111 1.00 97.97 59 A 1 ATOM 449 C CG . TRP A 1 59 ? 5.841 -3.244 -0.888 1.00 97.96 59 A 1 ATOM 450 C CD1 . TRP A 1 59 ? 6.902 -3.032 -1.702 1.00 97.11 59 A 1 ATOM 451 C CD2 . TRP A 1 59 ? 5.054 -2.013 -0.919 1.00 98.06 59 A 1 ATOM 452 N NE1 . TRP A 1 59 ? 6.830 -1.762 -2.234 1.00 96.88 59 A 1 ATOM 453 C CE2 . TRP A 1 59 ? 5.717 -1.088 -1.775 1.00 97.51 59 A 1 ATOM 454 C CE3 . TRP A 1 59 ? 3.860 -1.587 -0.295 1.00 96.99 59 A 1 ATOM 455 C CZ2 . TRP A 1 59 ? 5.223 0.210 -1.999 1.00 96.52 59 A 1 ATOM 456 C CZ3 . TRP A 1 59 ? 3.359 -0.290 -0.514 1.00 96.45 59 A 1 ATOM 457 C CH2 . TRP A 1 59 ? 4.040 0.607 -1.358 1.00 95.88 59 A 1 ATOM 458 N N . ASP A 1 60 ? 5.416 -6.536 2.466 1.00 98.10 60 A 1 ATOM 459 C CA . ASP A 1 60 ? 4.776 -7.572 3.288 1.00 98.16 60 A 1 ATOM 460 C C . ASP A 1 60 ? 4.361 -7.014 4.658 1.00 98.28 60 A 1 ATOM 461 O O . ASP A 1 60 ? 3.203 -7.162 5.055 1.00 98.05 60 A 1 ATOM 462 C CB . ASP A 1 60 ? 5.693 -8.808 3.423 1.00 97.82 60 A 1 ATOM 463 C CG . ASP A 1 60 ? 5.763 -9.631 2.126 1.00 95.72 60 A 1 ATOM 464 O OD1 . ASP A 1 60 ? 4.706 -9.849 1.491 1.00 91.35 60 A 1 ATOM 465 O OD2 . ASP A 1 60 ? 6.858 -10.056 1.701 1.00 91.39 60 A 1 ATOM 466 N N . GLU A 1 61 ? 5.241 -6.259 5.325 1.00 97.98 61 A 1 ATOM 467 C CA . GLU A 1 61 ? 4.913 -5.584 6.590 1.00 98.05 61 A 1 ATOM 468 C C . GLU A 1 61 ? 3.736 -4.602 6.441 1.00 98.23 61 A 1 ATOM 469 O O . GLU A 1 61 ? 2.830 -4.578 7.272 1.00 97.95 61 A 1 ATOM 470 C CB . GLU A 1 61 ? 6.129 -4.810 7.120 1.00 97.94 61 A 1 ATOM 471 C CG . GLU A 1 61 ? 7.332 -5.687 7.509 1.00 94.61 61 A 1 ATOM 472 C CD . GLU A 1 61 ? 8.550 -4.853 7.961 1.00 92.82 61 A 1 ATOM 473 O OE1 . GLU A 1 61 ? 9.597 -5.468 8.259 1.00 84.81 61 A 1 ATOM 474 O OE2 . GLU A 1 61 ? 8.445 -3.598 8.019 1.00 87.04 61 A 1 ATOM 475 N N . VAL A 1 62 ? 3.717 -3.807 5.360 1.00 97.86 62 A 1 ATOM 476 C CA . VAL A 1 62 ? 2.623 -2.861 5.068 1.00 97.87 62 A 1 ATOM 477 C C . VAL A 1 62 ? 1.293 -3.593 4.878 1.00 98.10 62 A 1 ATOM 478 O O . VAL A 1 62 ? 0.268 -3.163 5.410 1.00 98.20 62 A 1 ATOM 479 C CB . VAL A 1 62 ? 2.956 -2.022 3.819 1.00 97.93 62 A 1 ATOM 480 C CG1 . VAL A 1 62 ? 1.770 -1.196 3.300 1.00 96.94 62 A 1 ATOM 481 C CG2 . VAL A 1 62 ? 4.086 -1.034 4.108 1.00 97.09 62 A 1 ATOM 482 N N . ILE A 1 63 ? 1.287 -4.688 4.119 1.00 98.24 63 A 1 ATOM 483 C CA . ILE A 1 63 ? 0.089 -5.501 3.878 1.00 98.18 63 A 1 ATOM 484 C C . ILE A 1 63 ? -0.413 -6.106 5.193 1.00 98.02 63 A 1 ATOM 485 O O . ILE A 1 63 ? -1.618 -6.093 5.450 1.00 98.04 63 A 1 ATOM 486 C CB . ILE A 1 63 ? 0.387 -6.580 2.811 1.00 98.35 63 A 1 ATOM 487 C CG1 . ILE A 1 63 ? 0.588 -5.919 1.424 1.00 97.95 63 A 1 ATOM 488 C CG2 . ILE A 1 63 ? -0.748 -7.621 2.726 1.00 97.77 63 A 1 ATOM 489 C CD1 . ILE A 1 63 ? 1.300 -6.830 0.414 1.00 96.92 63 A 1 ATOM 490 N N . ASP A 1 64 ? 0.492 -6.601 6.035 1.00 98.40 64 A 1 ATOM 491 C CA . ASP A 1 64 ? 0.144 -7.160 7.340 1.00 98.23 64 A 1 ATOM 492 C C . ASP A 1 64 ? -0.449 -6.096 8.272 1.00 98.22 64 A 1 ATOM 493 O O . ASP A 1 64 ? -1.485 -6.338 8.897 1.00 97.91 64 A 1 ATOM 494 C CB . ASP A 1 64 ? 1.374 -7.830 7.970 1.00 97.87 64 A 1 ATOM 495 C CG . ASP A 1 64 ? 1.669 -9.233 7.418 1.00 91.03 64 A 1 ATOM 496 O OD1 . ASP A 1 64 ? 0.813 -9.787 6.682 1.00 86.96 64 A 1 ATOM 497 O OD2 . ASP A 1 64 ? 2.698 -9.799 7.847 1.00 87.02 64 A 1 ATOM 498 N N . GLU A 1 65 ? 0.140 -4.899 8.328 1.00 98.09 65 A 1 ATOM 499 C CA . GLU A 1 65 ? -0.432 -3.789 9.099 1.00 97.97 65 A 1 ATOM 500 C C . GLU A 1 65 ? -1.828 -3.403 8.594 1.00 98.10 65 A 1 ATOM 501 O O . GLU A 1 65 ? -2.753 -3.304 9.398 1.00 97.54 65 A 1 ATOM 502 C CB . GLU A 1 65 ? 0.492 -2.562 9.101 1.00 97.69 65 A 1 ATOM 503 C CG . GLU A 1 65 ? 1.679 -2.715 10.063 1.00 91.21 65 A 1 ATOM 504 C CD . GLU A 1 65 ? 2.402 -1.385 10.373 1.00 87.25 65 A 1 ATOM 505 O OE1 . GLU A 1 65 ? 3.479 -1.438 11.005 1.00 76.95 65 A 1 ATOM 506 O OE2 . GLU A 1 65 ? 1.843 -0.297 10.078 1.00 78.46 65 A 1 ATOM 507 N N . LEU A 1 66 ? -2.011 -3.253 7.277 1.00 97.63 66 A 1 ATOM 508 C CA . LEU A 1 66 ? -3.314 -2.942 6.684 1.00 97.49 66 A 1 ATOM 509 C C . LEU A 1 66 ? -4.368 -4.012 6.999 1.00 97.38 66 A 1 ATOM 510 O O . LEU A 1 66 ? -5.505 -3.668 7.297 1.00 97.36 66 A 1 ATOM 511 C CB . LEU A 1 66 ? -3.164 -2.780 5.161 1.00 97.85 66 A 1 ATOM 512 C CG . LEU A 1 66 ? -2.526 -1.455 4.711 1.00 97.42 66 A 1 ATOM 513 C CD1 . LEU A 1 66 ? -2.158 -1.545 3.224 1.00 97.03 66 A 1 ATOM 514 C CD2 . LEU A 1 66 ? -3.490 -0.277 4.876 1.00 97.20 66 A 1 ATOM 515 N N . ASN A 1 67 ? -4.011 -5.293 6.971 1.00 97.94 67 A 1 ATOM 516 C CA . ASN A 1 67 ? -4.935 -6.387 7.306 1.00 97.48 67 A 1 ATOM 517 C C . ASN A 1 67 ? -5.368 -6.396 8.784 1.00 97.15 67 A 1 ATOM 518 O O . ASN A 1 67 ? -6.381 -7.018 9.109 1.00 96.09 67 A 1 ATOM 519 C CB . ASN A 1 67 ? -4.274 -7.727 6.944 1.00 97.20 67 A 1 ATOM 520 C CG . ASN A 1 67 ? -4.358 -8.057 5.466 1.00 95.72 67 A 1 ATOM 521 O OD1 . ASN A 1 67 ? -5.412 -8.061 4.850 1.00 89.69 67 A 1 ATOM 522 N ND2 . ASN A 1 67 ? -3.254 -8.405 4.852 1.00 89.59 67 A 1 ATOM 523 N N . ASN A 1 68 ? -4.615 -5.738 9.667 1.00 97.39 68 A 1 ATOM 524 C CA . ASN A 1 68 ? -4.869 -5.682 11.107 1.00 97.06 68 A 1 ATOM 525 C C . ASN A 1 68 ? -5.574 -4.384 11.566 1.00 96.77 68 A 1 ATOM 526 O O . ASN A 1 68 ? -5.778 -4.207 12.770 1.00 94.96 68 A 1 ATOM 527 C CB . ASN A 1 68 ? -3.538 -5.929 11.841 1.00 96.55 68 A 1 ATOM 528 C CG . ASN A 1 68 ? -3.066 -7.375 11.751 1.00 94.77 68 A 1 ATOM 529 O OD1 . ASN A 1 68 ? -3.773 -8.310 12.086 1.00 88.21 68 A 1 ATOM 530 N ND2 . ASN A 1 68 ? -1.842 -7.611 11.341 1.00 87.88 68 A 1 ATOM 531 N N . LEU A 1 69 ? -5.956 -3.485 10.633 1.00 96.99 69 A 1 ATOM 532 C CA . LEU A 1 69 ? -6.702 -2.243 10.919 1.00 96.16 69 A 1 ATOM 533 C C . LEU A 1 69 ? -8.221 -2.476 11.048 1.00 94.16 69 A 1 ATOM 534 O O . LEU A 1 69 ? -8.850 -1.786 11.883 1.00 89.22 69 A 1 ATOM 535 C CB . LEU A 1 69 ? -6.413 -1.203 9.818 1.00 95.78 69 A 1 ATOM 536 C CG . LEU A 1 69 ? -5.010 -0.582 9.839 1.00 94.96 69 A 1 ATOM 537 C CD1 . LEU A 1 69 ? -4.867 0.371 8.647 1.00 92.86 69 A 1 ATOM 538 C CD2 . LEU A 1 69 ? -4.764 0.228 11.112 1.00 93.24 69 A 1 ATOM 539 O OXT . LEU A 1 69 ? -8.753 -3.286 10.284 1.00 90.32 69 A 1 #