# 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_acrif22_ # _entry.id acrif22_ # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 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 SER 2 1 n LYS 3 1 n LYS 4 1 n PHE 5 1 n LEU 6 1 n GLU 7 1 n ILE 8 1 n VAL 9 1 n GLY 10 1 n ASN 11 1 n ALA 12 1 n SER 13 1 n THR 14 1 n SER 15 1 n ALA 16 1 n THR 17 1 n PHE 18 1 n ASN 19 1 n GLY 20 1 n LYS 21 1 n LEU 22 1 n ILE 23 1 n GLY 24 1 n HIS 25 1 n ASN 26 1 n VAL 27 1 n ASN 28 1 n ALA 29 1 n SER 30 1 n ALA 31 1 n TYR 32 1 n GLU 33 1 n LYS 34 1 n ASP 35 1 n GLY 36 1 n GLU 37 1 n ILE 38 1 n ILE 39 1 n ILE 40 1 n HIS 41 1 n LEU 42 1 n GLU 43 1 n THR 44 1 n ASN 45 1 n GLY 46 1 n SER 47 1 n ARG 48 1 n TRP 49 1 n LYS 50 1 n SER 51 1 n SER 52 1 n PRO 53 1 n GLU 54 1 n VAL 55 1 n ARG 56 1 n MET 57 1 n THR 58 1 n LYS 59 1 n GLU 60 1 n GLU 61 1 n TYR 62 1 n ASP 63 1 n SER 64 1 n PHE 65 1 n CYS 66 1 n GLU 67 1 n LYS 68 1 n GLN 69 1 n SER 70 1 n ARG 71 1 n PRO 72 1 n LEU 73 1 n PHE 74 1 n VAL 75 1 n ARG 76 1 n GLY 77 1 n ILE 78 1 n GLU 79 1 n LEU 80 1 n PHE 81 1 n GLY 82 1 n ALA 83 1 n GLU 84 1 n ALA 85 1 n LEU 86 1 n LEU 87 1 n SER 88 # _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 @ 2025-04-06 19:43:15)" _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 92.56 _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 64.36 1 1 A SER 2 2 82.85 1 2 A LYS 3 2 87.66 1 3 A LYS 4 2 87.21 1 4 A PHE 5 2 96.65 1 5 A LEU 6 2 95.45 1 6 A GLU 7 2 96.95 1 7 A ILE 8 2 97.03 1 8 A VAL 9 2 98.32 1 9 A GLY 10 2 97.90 1 10 A ASN 11 2 91.00 1 11 A ALA 12 2 97.63 1 12 A SER 13 2 95.92 1 13 A THR 14 2 97.19 1 14 A SER 15 2 96.94 1 15 A ALA 16 2 98.11 1 16 A THR 17 2 97.21 1 17 A PHE 18 2 94.59 1 18 A ASN 19 2 90.75 1 19 A GLY 20 2 96.00 1 20 A LYS 21 2 86.22 1 21 A LEU 22 2 95.97 1 22 A ILE 23 2 95.26 1 23 A GLY 24 2 97.22 1 24 A HIS 25 2 92.59 1 25 A ASN 26 2 91.80 1 26 A VAL 27 2 98.30 1 27 A ASN 28 2 96.70 1 28 A ALA 29 2 98.44 1 29 A SER 30 2 97.32 1 30 A ALA 31 2 98.49 1 31 A TYR 32 2 96.79 1 32 A GLU 33 2 90.51 1 33 A LYS 34 2 91.68 1 34 A ASP 35 2 91.85 1 35 A GLY 36 2 94.40 1 36 A GLU 37 2 89.33 1 37 A ILE 38 2 97.80 1 38 A ILE 39 2 94.53 1 39 A ILE 40 2 97.88 1 40 A HIS 41 2 91.72 1 41 A LEU 42 2 97.64 1 42 A GLU 43 2 96.53 1 43 A THR 44 2 91.80 1 44 A ASN 45 2 88.96 1 45 A GLY 46 2 94.07 1 46 A SER 47 2 93.08 1 47 A ARG 48 2 86.19 1 48 A TRP 49 2 92.39 1 49 A LYS 50 2 76.37 1 50 A SER 51 2 87.70 1 51 A SER 52 2 82.47 1 52 A PRO 53 2 84.50 1 53 A GLU 54 2 86.57 1 54 A VAL 55 2 96.80 1 55 A ARG 56 2 85.25 1 56 A MET 57 2 96.07 1 57 A THR 58 2 97.75 1 58 A LYS 59 2 87.31 1 59 A GLU 60 2 87.41 1 60 A GLU 61 2 95.71 1 61 A TYR 62 2 98.36 1 62 A ASP 63 2 95.56 1 63 A SER 64 2 95.38 1 64 A PHE 65 2 97.95 1 65 A CYS 66 2 98.02 1 66 A GLU 67 2 91.99 1 67 A LYS 68 2 84.45 1 68 A GLN 69 2 88.86 1 69 A SER 70 2 94.37 1 70 A ARG 71 2 86.59 1 71 A PRO 72 2 96.59 1 72 A LEU 73 2 98.11 1 73 A PHE 74 2 96.41 1 74 A VAL 75 2 97.89 1 75 A ARG 76 2 95.75 1 76 A GLY 77 2 98.24 1 77 A ILE 78 2 98.00 1 78 A GLU 79 2 96.52 1 79 A LEU 80 2 96.20 1 80 A PHE 81 2 97.23 1 81 A GLY 82 2 96.53 1 82 A ALA 83 2 97.16 1 83 A GLU 84 2 88.72 1 84 A ALA 85 2 97.24 1 85 A LEU 86 2 92.44 1 86 A LEU 87 2 82.86 1 87 A SER 88 2 65.14 1 88 # _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 SER . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n GLU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n LYS . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n HIS . 25 A 25 A 26 1 n ASN . 26 A 26 A 27 1 n VAL . 27 A 27 A 28 1 n ASN . 28 A 28 A 29 1 n ALA . 29 A 29 A 30 1 n SER . 30 A 30 A 31 1 n ALA . 31 A 31 A 32 1 n TYR . 32 A 32 A 33 1 n GLU . 33 A 33 A 34 1 n LYS . 34 A 34 A 35 1 n ASP . 35 A 35 A 36 1 n GLY . 36 A 36 A 37 1 n GLU . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n ILE . 40 A 40 A 41 1 n HIS . 41 A 41 A 42 1 n LEU . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n THR . 44 A 44 A 45 1 n ASN . 45 A 45 A 46 1 n GLY . 46 A 46 A 47 1 n SER . 47 A 47 A 48 1 n ARG . 48 A 48 A 49 1 n TRP . 49 A 49 A 50 1 n LYS . 50 A 50 A 51 1 n SER . 51 A 51 A 52 1 n SER . 52 A 52 A 53 1 n PRO . 53 A 53 A 54 1 n GLU . 54 A 54 A 55 1 n VAL . 55 A 55 A 56 1 n ARG . 56 A 56 A 57 1 n MET . 57 A 57 A 58 1 n THR . 58 A 58 A 59 1 n LYS . 59 A 59 A 60 1 n GLU . 60 A 60 A 61 1 n GLU . 61 A 61 A 62 1 n TYR . 62 A 62 A 63 1 n ASP . 63 A 63 A 64 1 n SER . 64 A 64 A 65 1 n PHE . 65 A 65 A 66 1 n CYS . 66 A 66 A 67 1 n GLU . 67 A 67 A 68 1 n LYS . 68 A 68 A 69 1 n GLN . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n ARG . 71 A 71 A 72 1 n PRO . 72 A 72 A 73 1 n LEU . 73 A 73 A 74 1 n PHE . 74 A 74 A 75 1 n VAL . 75 A 75 A 76 1 n ARG . 76 A 76 A 77 1 n GLY . 77 A 77 A 78 1 n ILE . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n PHE . 81 A 81 A 82 1 n GLY . 82 A 82 A 83 1 n ALA . 83 A 83 A 84 1 n GLU . 84 A 84 A 85 1 n ALA . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n LEU . 87 A 87 A 88 1 n SER . 88 A 88 # _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 ? -2.085 -2.421 21.513 1.00 66.73 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.096 -1.716 20.703 1.00 72.32 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.206 -2.338 19.318 1.00 74.69 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.221 -2.836 18.776 1.00 69.76 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.744 -0.230 20.570 1.00 65.99 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.749 0.591 19.771 1.00 58.84 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.416 2.362 19.827 1.00 56.61 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.210 2.809 21.371 1.00 49.91 1 A 1 ATOM 9 N N . SER A 1 2 ? -4.399 -2.320 18.767 1.00 81.70 2 A 1 ATOM 10 C CA . SER A 1 2 ? -4.647 -2.896 17.450 1.00 87.50 2 A 1 ATOM 11 C C . SER A 1 2 ? -4.069 -2.041 16.332 1.00 89.78 2 A 1 ATOM 12 O O . SER A 1 2 ? -3.833 -0.845 16.507 1.00 87.73 2 A 1 ATOM 13 C CB . SER A 1 2 ? -6.147 -3.050 17.219 1.00 80.70 2 A 1 ATOM 14 O OG . SER A 1 2 ? -6.736 -3.923 18.159 1.00 69.68 2 A 1 ATOM 15 N N . LYS A 1 3 ? -3.850 -2.669 15.187 1.00 92.98 3 A 1 ATOM 16 C CA . LYS A 1 3 ? -3.350 -1.961 14.016 1.00 94.23 3 A 1 ATOM 17 C C . LYS A 1 3 ? -4.459 -1.016 13.571 1.00 95.80 3 A 1 ATOM 18 O O . LYS A 1 3 ? -5.620 -1.414 13.485 1.00 95.25 3 A 1 ATOM 19 C CB . LYS A 1 3 ? -3.019 -2.975 12.915 1.00 90.03 3 A 1 ATOM 20 C CG . LYS A 1 3 ? -2.510 -2.372 11.617 1.00 85.43 3 A 1 ATOM 21 C CD . LYS A 1 3 ? -2.006 -3.447 10.659 1.00 85.19 3 A 1 ATOM 22 C CE . LYS A 1 3 ? -3.086 -4.424 10.257 1.00 77.21 3 A 1 ATOM 23 N NZ . LYS A 1 3 ? -2.594 -5.440 9.279 1.00 72.83 3 A 1 ATOM 24 N N . LYS A 1 4 ? -4.109 0.233 13.306 1.00 97.13 4 A 1 ATOM 25 C CA . LYS A 1 4 ? -5.094 1.227 12.890 1.00 97.55 4 A 1 ATOM 26 C C . LYS A 1 4 ? -4.846 1.727 11.476 1.00 97.79 4 A 1 ATOM 27 O O . LYS A 1 4 ? -3.707 1.980 11.090 1.00 97.61 4 A 1 ATOM 28 C CB . LYS A 1 4 ? -5.065 2.425 13.835 1.00 96.92 4 A 1 ATOM 29 C CG . LYS A 1 4 ? -5.468 2.126 15.263 1.00 86.10 4 A 1 ATOM 30 C CD . LYS A 1 4 ? -5.472 3.405 16.086 1.00 82.82 4 A 1 ATOM 31 C CE . LYS A 1 4 ? -5.934 3.161 17.510 1.00 68.28 4 A 1 ATOM 32 N NZ . LYS A 1 4 ? -5.986 4.427 18.293 1.00 60.70 4 A 1 ATOM 33 N N . PHE A 1 5 ? -5.923 1.875 10.714 1.00 97.73 5 A 1 ATOM 34 C CA . PHE A 1 5 ? -5.814 2.394 9.358 1.00 97.74 5 A 1 ATOM 35 C C . PHE A 1 5 ? -5.339 3.839 9.441 1.00 97.81 5 A 1 ATOM 36 O O . PHE A 1 5 ? -5.855 4.621 10.242 1.00 97.57 5 A 1 ATOM 37 C CB . PHE A 1 5 ? -7.172 2.350 8.657 1.00 97.31 5 A 1 ATOM 38 C CG . PHE A 1 5 ? -7.178 3.020 7.305 1.00 97.02 5 A 1 ATOM 39 C CD1 . PHE A 1 5 ? -6.589 2.407 6.207 1.00 96.28 5 A 1 ATOM 40 C CD2 . PHE A 1 5 ? -7.760 4.271 7.136 1.00 96.17 5 A 1 ATOM 41 C CE1 . PHE A 1 5 ? -6.581 3.028 4.959 1.00 95.28 5 A 1 ATOM 42 C CE2 . PHE A 1 5 ? -7.756 4.898 5.894 1.00 95.13 5 A 1 ATOM 43 C CZ . PHE A 1 5 ? -7.169 4.273 4.804 1.00 95.15 5 A 1 ATOM 44 N N . LEU A 1 6 ? -4.353 4.179 8.631 1.00 98.11 6 A 1 ATOM 45 C CA . LEU A 1 6 ? -3.836 5.542 8.615 1.00 98.09 6 A 1 ATOM 46 C C . LEU A 1 6 ? -4.337 6.285 7.383 1.00 98.22 6 A 1 ATOM 47 O O . LEU A 1 6 ? -4.977 7.330 7.497 1.00 97.84 6 A 1 ATOM 48 C CB . LEU A 1 6 ? -2.298 5.527 8.634 1.00 97.58 6 A 1 ATOM 49 C CG . LEU A 1 6 ? -1.611 6.898 8.647 1.00 91.47 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? -2.030 7.676 9.883 1.00 91.21 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? -0.096 6.704 8.621 1.00 91.12 6 A 1 ATOM 52 N N . GLU A 1 7 ? -4.058 5.732 6.208 1.00 98.44 7 A 1 ATOM 53 C CA . GLU A 1 7 ? -4.474 6.385 4.968 1.00 98.47 7 A 1 ATOM 54 C C . GLU A 1 7 ? -4.150 5.536 3.756 1.00 98.57 7 A 1 ATOM 55 O O . GLU A 1 7 ? -3.391 4.568 3.843 1.00 98.47 7 A 1 ATOM 56 C CB . GLU A 1 7 ? -3.749 7.732 4.816 1.00 98.11 7 A 1 ATOM 57 C CG . GLU A 1 7 ? -2.231 7.572 4.669 1.00 96.74 7 A 1 ATOM 58 C CD . GLU A 1 7 ? -1.480 8.893 4.720 1.00 96.63 7 A 1 ATOM 59 O OE1 . GLU A 1 7 ? -2.108 9.939 4.981 1.00 93.29 7 A 1 ATOM 60 O OE2 . GLU A 1 7 ? -0.246 8.881 4.513 1.00 93.86 7 A 1 ATOM 61 N N . ILE A 1 8 ? -4.749 5.896 2.632 1.00 98.41 8 A 1 ATOM 62 C CA . ILE A 1 8 ? -4.424 5.246 1.373 1.00 98.40 8 A 1 ATOM 63 C C . ILE A 1 8 ? -3.202 6.036 0.912 1.00 98.46 8 A 1 ATOM 64 O O . ILE A 1 8 ? -3.246 7.265 0.824 1.00 98.26 8 A 1 ATOM 65 C CB . ILE A 1 8 ? -5.570 5.384 0.347 1.00 98.06 8 A 1 ATOM 66 C CG1 . ILE A 1 8 ? -6.752 4.506 0.780 1.00 96.82 8 A 1 ATOM 67 C CG2 . ILE A 1 8 ? -5.081 4.981 -1.046 1.00 97.17 8 A 1 ATOM 68 C CD1 . ILE A 1 8 ? -7.968 4.611 -0.122 1.00 90.68 8 A 1 ATOM 69 N N . VAL A 1 9 ? -2.112 5.343 0.644 1.00 98.51 9 A 1 ATOM 70 C CA . VAL A 1 9 ? -0.881 5.999 0.221 1.00 98.53 9 A 1 ATOM 71 C C . VAL A 1 9 ? -1.099 6.718 -1.103 1.00 98.42 9 A 1 ATOM 72 O O . VAL A 1 9 ? -1.408 6.093 -2.117 1.00 98.01 9 A 1 ATOM 73 C CB . VAL A 1 9 ? 0.264 4.972 0.084 1.00 98.48 9 A 1 ATOM 74 C CG1 . VAL A 1 9 ? 1.544 5.668 -0.361 1.00 98.09 9 A 1 ATOM 75 C CG2 . VAL A 1 9 ? 0.483 4.267 1.420 1.00 98.21 9 A 1 ATOM 76 N N . GLY A 1 10 ? -0.955 8.041 -1.080 1.00 98.29 10 A 1 ATOM 77 C CA . GLY A 1 10 ? -1.151 8.826 -2.286 1.00 98.03 10 A 1 ATOM 78 C C . GLY A 1 10 ? -2.606 9.132 -2.594 1.00 98.03 10 A 1 ATOM 79 O O . GLY A 1 10 ? -2.901 9.796 -3.589 1.00 97.25 10 A 1 ATOM 80 N N . ASN A 1 11 ? -3.501 8.647 -1.748 1.00 97.88 11 A 1 ATOM 81 C CA . ASN A 1 11 ? -4.938 8.897 -1.890 1.00 97.73 11 A 1 ATOM 82 C C . ASN A 1 11 ? -5.492 8.617 -3.286 1.00 97.77 11 A 1 ATOM 83 O O . ASN A 1 11 ? -6.278 9.391 -3.831 1.00 96.77 11 A 1 ATOM 84 C CB . ASN A 1 11 ? -5.255 10.340 -1.490 1.00 96.98 11 A 1 ATOM 85 C CG . ASN A 1 11 ? -6.740 10.579 -1.294 1.00 87.15 11 A 1 ATOM 86 O OD1 . ASN A 1 11 ? -7.445 9.738 -0.742 1.00 78.23 11 A 1 ATOM 87 N ND2 . ASN A 1 11 ? -7.214 11.743 -1.740 1.00 75.51 11 A 1 ATOM 88 N N . ALA A 1 12 ? -5.085 7.487 -3.870 1.00 97.70 12 A 1 ATOM 89 C CA . ALA A 1 12 ? -5.561 7.120 -5.198 1.00 97.74 12 A 1 ATOM 90 C C . ALA A 1 12 ? -5.367 5.633 -5.449 1.00 98.00 12 A 1 ATOM 91 O O . ALA A 1 12 ? -4.523 4.990 -4.822 1.00 97.70 12 A 1 ATOM 92 C CB . ALA A 1 12 ? -4.835 7.927 -6.272 1.00 97.02 12 A 1 ATOM 93 N N . SER A 1 13 ? -6.171 5.100 -6.368 1.00 97.98 13 A 1 ATOM 94 C CA . SER A 1 13 ? -6.109 3.694 -6.743 1.00 97.94 13 A 1 ATOM 95 C C . SER A 1 13 ? -6.075 3.623 -8.261 1.00 97.96 13 A 1 ATOM 96 O O . SER A 1 13 ? -6.484 4.561 -8.944 1.00 97.41 13 A 1 ATOM 97 C CB . SER A 1 13 ? -7.341 2.936 -6.238 1.00 97.28 13 A 1 ATOM 98 O OG . SER A 1 13 ? -7.444 3.000 -4.829 1.00 86.93 13 A 1 ATOM 99 N N . THR A 1 14 ? -5.603 2.506 -8.786 1.00 98.16 14 A 1 ATOM 100 C CA . THR A 1 14 ? -5.524 2.340 -10.232 1.00 98.16 14 A 1 ATOM 101 C C . THR A 1 14 ? -5.373 0.866 -10.566 1.00 98.34 14 A 1 ATOM 102 O O . THR A 1 14 ? -5.159 0.035 -9.685 1.00 98.21 14 A 1 ATOM 103 C CB . THR A 1 14 ? -4.321 3.112 -10.815 1.00 97.62 14 A 1 ATOM 104 O OG1 . THR A 1 14 ? -4.346 3.037 -12.248 1.00 94.96 14 A 1 ATOM 105 C CG2 . THR A 1 14 ? -3.004 2.514 -10.316 1.00 94.88 14 A 1 ATOM 106 N N . SER A 1 15 ? -5.484 0.546 -11.846 1.00 98.31 15 A 1 ATOM 107 C CA . SER A 1 15 ? -5.270 -0.828 -12.281 1.00 98.31 15 A 1 ATOM 108 C C . SER A 1 15 ? -3.775 -1.076 -12.098 1.00 98.34 15 A 1 ATOM 109 O O . SER A 1 15 ? -2.970 -0.145 -12.166 1.00 98.00 15 A 1 ATOM 110 C CB . SER A 1 15 ? -5.644 -0.989 -13.753 1.00 97.85 15 A 1 ATOM 111 O OG . SER A 1 15 ? -7.029 -0.766 -13.959 1.00 90.81 15 A 1 ATOM 112 N N . ALA A 1 16 ? -3.405 -2.322 -11.867 1.00 98.22 16 A 1 ATOM 113 C CA . ALA A 1 16 ? -1.996 -2.639 -11.677 1.00 98.21 16 A 1 ATOM 114 C C . ALA A 1 16 ? -1.712 -4.071 -12.086 1.00 98.16 16 A 1 ATOM 115 O O . ALA A 1 16 ? -2.611 -4.916 -12.106 1.00 97.93 16 A 1 ATOM 116 C CB . ALA A 1 16 ? -1.590 -2.420 -10.218 1.00 98.03 16 A 1 ATOM 117 N N . THR A 1 17 ? -0.463 -4.326 -12.422 1.00 97.95 17 A 1 ATOM 118 C CA . THR A 1 17 ? -0.043 -5.660 -12.819 1.00 97.84 17 A 1 ATOM 119 C C . THR A 1 17 ? 1.097 -6.134 -11.932 1.00 97.61 17 A 1 ATOM 120 O O . THR A 1 17 ? 1.763 -5.336 -11.264 1.00 97.41 17 A 1 ATOM 121 C CB . THR A 1 17 ? 0.453 -5.692 -14.283 1.00 97.65 17 A 1 ATOM 122 O OG1 . THR A 1 17 ? 1.588 -4.829 -14.426 1.00 95.99 17 A 1 ATOM 123 C CG2 . THR A 1 17 ? -0.644 -5.245 -15.239 1.00 96.00 17 A 1 ATOM 124 N N . PHE A 1 18 ? 1.310 -7.447 -11.932 1.00 97.01 18 A 1 ATOM 125 C CA . PHE A 1 18 ? 2.402 -8.053 -11.190 1.00 96.65 18 A 1 ATOM 126 C C . PHE A 1 18 ? 2.941 -9.143 -12.100 1.00 96.52 18 A 1 ATOM 127 O O . PHE A 1 18 ? 2.201 -10.037 -12.512 1.00 95.79 18 A 1 ATOM 128 C CB . PHE A 1 18 ? 1.921 -8.660 -9.875 1.00 96.02 18 A 1 ATOM 129 C CG . PHE A 1 18 ? 3.043 -9.207 -9.034 1.00 95.30 18 A 1 ATOM 130 C CD1 . PHE A 1 18 ? 3.915 -8.349 -8.375 1.00 93.61 18 A 1 ATOM 131 C CD2 . PHE A 1 18 ? 3.246 -10.576 -8.926 1.00 93.61 18 A 1 ATOM 132 C CE1 . PHE A 1 18 ? 4.969 -8.845 -7.616 1.00 92.09 18 A 1 ATOM 133 C CE2 . PHE A 1 18 ? 4.298 -11.078 -8.169 1.00 92.11 18 A 1 ATOM 134 C CZ . PHE A 1 18 ? 5.158 -10.210 -7.513 1.00 91.80 18 A 1 ATOM 135 N N . ASN A 1 19 ? 4.219 -9.047 -12.437 1.00 96.03 19 A 1 ATOM 136 C CA . ASN A 1 19 ? 4.846 -9.985 -13.368 1.00 95.84 19 A 1 ATOM 137 C C . ASN A 1 19 ? 4.055 -10.034 -14.675 1.00 96.07 19 A 1 ATOM 138 O O . ASN A 1 19 ? 3.857 -11.098 -15.267 1.00 94.75 19 A 1 ATOM 139 C CB . ASN A 1 19 ? 4.938 -11.393 -12.760 1.00 94.76 19 A 1 ATOM 140 C CG . ASN A 1 19 ? 5.947 -11.466 -11.630 1.00 89.40 19 A 1 ATOM 141 O OD1 . ASN A 1 19 ? 6.922 -10.717 -11.604 1.00 80.87 19 A 1 ATOM 142 N ND2 . ASN A 1 19 ? 5.720 -12.383 -10.697 1.00 78.29 19 A 1 ATOM 143 N N . GLY A 1 20 ? 3.602 -8.849 -15.110 1.00 96.08 20 A 1 ATOM 144 C CA . GLY A 1 20 ? 2.872 -8.746 -16.363 1.00 95.94 20 A 1 ATOM 145 C C . GLY A 1 20 ? 1.406 -9.139 -16.346 1.00 96.43 20 A 1 ATOM 146 O O . GLY A 1 20 ? 0.718 -8.995 -17.358 1.00 95.55 20 A 1 ATOM 147 N N . LYS A 1 21 ? 0.919 -9.633 -15.215 1.00 96.77 21 A 1 ATOM 148 C CA . LYS A 1 21 ? -0.477 -10.051 -15.109 1.00 96.74 21 A 1 ATOM 149 C C . LYS A 1 21 ? -1.303 -9.047 -14.308 1.00 96.96 21 A 1 ATOM 150 O O . LYS A 1 21 ? -0.892 -8.594 -13.247 1.00 96.72 21 A 1 ATOM 151 C CB . LYS A 1 21 ? -0.561 -11.426 -14.442 1.00 96.10 21 A 1 ATOM 152 C CG . LYS A 1 21 ? -1.985 -11.948 -14.307 1.00 84.51 21 A 1 ATOM 153 C CD . LYS A 1 21 ? -2.015 -13.315 -13.635 1.00 79.91 21 A 1 ATOM 154 C CE . LYS A 1 21 ? -1.438 -14.400 -14.526 1.00 67.97 21 A 1 ATOM 155 N NZ . LYS A 1 21 ? -2.212 -14.570 -15.780 1.00 60.32 21 A 1 ATOM 156 N N . LEU A 1 22 ? -2.475 -8.702 -14.833 1.00 97.17 22 A 1 ATOM 157 C CA . LEU A 1 22 ? -3.358 -7.767 -14.142 1.00 97.07 22 A 1 ATOM 158 C C . LEU A 1 22 ? -3.787 -8.365 -12.806 1.00 96.75 22 A 1 ATOM 159 O O . LEU A 1 22 ? -4.242 -9.504 -12.753 1.00 96.28 22 A 1 ATOM 160 C CB . LEU A 1 22 ? -4.604 -7.497 -14.996 1.00 96.90 22 A 1 ATOM 161 C CG . LEU A 1 22 ? -5.608 -6.491 -14.426 1.00 95.56 22 A 1 ATOM 162 C CD1 . LEU A 1 22 ? -5.019 -5.090 -14.479 1.00 94.25 22 A 1 ATOM 163 C CD2 . LEU A 1 22 ? -6.910 -6.556 -15.216 1.00 93.78 22 A 1 ATOM 164 N N . ILE A 1 23 ? -3.627 -7.599 -11.732 1.00 97.18 23 A 1 ATOM 165 C CA . ILE A 1 23 ? -4.043 -8.089 -10.421 1.00 96.77 23 A 1 ATOM 166 C C . ILE A 1 23 ? -5.310 -7.395 -9.935 1.00 96.69 23 A 1 ATOM 167 O O . ILE A 1 23 ? -5.889 -7.790 -8.925 1.00 96.05 23 A 1 ATOM 168 C CB . ILE A 1 23 ? -2.926 -7.934 -9.358 1.00 96.36 23 A 1 ATOM 169 C CG1 . ILE A 1 23 ? -2.510 -6.471 -9.199 1.00 93.93 23 A 1 ATOM 170 C CG2 . ILE A 1 23 ? -1.727 -8.790 -9.757 1.00 91.95 23 A 1 ATOM 171 C CD1 . ILE A 1 23 ? -1.499 -6.243 -8.080 1.00 93.12 23 A 1 ATOM 172 N N . GLY A 1 24 ? -5.748 -6.376 -10.651 1.00 96.97 24 A 1 ATOM 173 C CA . GLY A 1 24 ? -6.956 -5.675 -10.266 1.00 96.93 24 A 1 ATOM 174 C C . GLY A 1 24 ? -7.080 -4.312 -10.910 1.00 97.54 24 A 1 ATOM 175 O O . GLY A 1 24 ? -6.098 -3.768 -11.414 1.00 97.44 24 A 1 ATOM 176 N N . HIS A 1 25 ? -8.298 -3.774 -10.892 1.00 97.31 25 A 1 ATOM 177 C CA . HIS A 1 25 ? -8.559 -2.456 -11.460 1.00 97.38 25 A 1 ATOM 178 C C . HIS A 1 25 ? -8.668 -1.387 -10.379 1.00 97.66 25 A 1 ATOM 179 O O . HIS A 1 25 ? -8.811 -0.205 -10.685 1.00 96.95 25 A 1 ATOM 180 C CB . HIS A 1 25 ? -9.863 -2.484 -12.268 1.00 96.86 25 A 1 ATOM 181 C CG . HIS A 1 25 ? -9.792 -3.325 -13.506 1.00 95.53 25 A 1 ATOM 182 N ND1 . HIS A 1 25 ? -9.051 -2.966 -14.608 1.00 84.54 25 A 1 ATOM 183 C CD2 . HIS A 1 25 ? -10.373 -4.504 -13.811 1.00 84.16 25 A 1 ATOM 184 C CE1 . HIS A 1 25 ? -9.177 -3.894 -15.540 1.00 87.21 25 A 1 ATOM 185 N NE2 . HIS A 1 25 ? -9.975 -4.844 -15.088 1.00 88.31 25 A 1 ATOM 186 N N . ASN A 1 26 ? -8.607 -1.807 -9.130 1.00 97.78 26 A 1 ATOM 187 C CA . ASN A 1 26 ? -8.740 -0.892 -8.001 1.00 97.91 26 A 1 ATOM 188 C C . ASN A 1 26 ? -7.670 -1.237 -6.974 1.00 98.19 26 A 1 ATOM 189 O O . ASN A 1 26 ? -7.970 -1.721 -5.878 1.00 97.71 26 A 1 ATOM 190 C CB . ASN A 1 26 ? -10.141 -1.023 -7.396 1.00 96.91 26 A 1 ATOM 191 C CG . ASN A 1 26 ? -10.399 -0.034 -6.281 1.00 89.57 26 A 1 ATOM 192 O OD1 . ASN A 1 26 ? -9.817 1.049 -6.248 1.00 79.44 26 A 1 ATOM 193 N ND2 . ASN A 1 26 ? -11.293 -0.401 -5.369 1.00 76.92 26 A 1 ATOM 194 N N . VAL A 1 27 ? -6.421 -1.015 -7.355 1.00 98.30 27 A 1 ATOM 195 C CA . VAL A 1 27 ? -5.270 -1.344 -6.528 1.00 98.44 27 A 1 ATOM 196 C C . VAL A 1 27 ? -4.643 -0.109 -5.894 1.00 98.49 27 A 1 ATOM 197 O O . VAL A 1 27 ? -4.515 0.936 -6.535 1.00 98.39 27 A 1 ATOM 198 C CB . VAL A 1 27 ? -4.200 -2.071 -7.377 1.00 98.35 27 A 1 ATOM 199 C CG1 . VAL A 1 27 ? -3.000 -2.459 -6.525 1.00 98.05 27 A 1 ATOM 200 C CG2 . VAL A 1 27 ? -4.811 -3.304 -8.041 1.00 98.07 27 A 1 ATOM 201 N N . ASN A 1 28 ? -4.261 -0.240 -4.639 1.00 98.48 28 A 1 ATOM 202 C CA . ASN A 1 28 ? -3.613 0.853 -3.929 1.00 98.50 28 A 1 ATOM 203 C C . ASN A 1 28 ? -2.828 0.301 -2.756 1.00 98.55 28 A 1 ATOM 204 O O . ASN A 1 28 ? -3.015 -0.852 -2.356 1.00 98.37 28 A 1 ATOM 205 C CB . ASN A 1 28 ? -4.646 1.857 -3.407 1.00 98.26 28 A 1 ATOM 206 C CG . ASN A 1 28 ? -5.573 1.247 -2.372 1.00 97.65 28 A 1 ATOM 207 O OD1 . ASN A 1 28 ? -6.643 0.738 -2.711 1.00 92.03 28 A 1 ATOM 208 N ND2 . ASN A 1 28 ? -5.180 1.295 -1.107 1.00 91.73 28 A 1 ATOM 209 N N . ALA A 1 29 ? -1.950 1.117 -2.212 1.00 98.45 29 A 1 ATOM 210 C CA . ALA A 1 29 ? -1.202 0.737 -1.026 1.00 98.50 29 A 1 ATOM 211 C C . ALA A 1 29 ? -1.931 1.429 0.122 1.00 98.49 29 A 1 ATOM 212 O O . ALA A 1 29 ? -2.366 2.574 -0.012 1.00 98.35 29 A 1 ATOM 213 C CB . ALA A 1 29 ? 0.241 1.230 -1.120 1.00 98.39 29 A 1 ATOM 214 N N . SER A 1 30 ? -2.093 0.732 1.237 1.00 98.37 30 A 1 ATOM 215 C CA . SER A 1 30 ? -2.750 1.309 2.403 1.00 98.28 30 A 1 ATOM 216 C C . SER A 1 30 ? -1.793 1.276 3.582 1.00 98.28 30 A 1 ATOM 217 O O . SER A 1 30 ? -1.156 0.254 3.845 1.00 98.01 30 A 1 ATOM 218 C CB . SER A 1 30 ? -4.023 0.534 2.754 1.00 97.94 30 A 1 ATOM 219 O OG . SER A 1 30 ? -5.041 0.772 1.795 1.00 93.03 30 A 1 ATOM 220 N N . ALA A 1 31 ? -1.694 2.394 4.279 1.00 98.53 31 A 1 ATOM 221 C CA . ALA A 1 31 ? -0.808 2.500 5.424 1.00 98.57 31 A 1 ATOM 222 C C . ALA A 1 31 ? -1.579 2.338 6.728 1.00 98.44 31 A 1 ATOM 223 O O . ALA A 1 31 ? -2.678 2.876 6.890 1.00 98.31 31 A 1 ATOM 224 C CB . ALA A 1 31 ? -0.085 3.845 5.404 1.00 98.60 31 A 1 ATOM 225 N N . TYR A 1 32 ? -0.999 1.589 7.648 1.00 98.22 32 A 1 ATOM 226 C CA . TYR A 1 32 ? -1.577 1.349 8.960 1.00 98.10 32 A 1 ATOM 227 C C . TYR A 1 32 ? -0.528 1.688 10.006 1.00 98.17 32 A 1 ATOM 228 O O . TYR A 1 32 ? 0.667 1.711 9.723 1.00 97.98 32 A 1 ATOM 229 C CB . TYR A 1 32 ? -1.986 -0.117 9.117 1.00 97.72 32 A 1 ATOM 230 C CG . TYR A 1 32 ? -3.069 -0.564 8.160 1.00 97.43 32 A 1 ATOM 231 C CD1 . TYR A 1 32 ? -2.762 -0.895 6.842 1.00 96.69 32 A 1 ATOM 232 C CD2 . TYR A 1 32 ? -4.397 -0.636 8.569 1.00 96.68 32 A 1 ATOM 233 C CE1 . TYR A 1 32 ? -3.759 -1.276 5.949 1.00 95.65 32 A 1 ATOM 234 C CE2 . TYR A 1 32 ? -5.402 -1.022 7.685 1.00 95.63 32 A 1 ATOM 235 C CZ . TYR A 1 32 ? -5.079 -1.337 6.376 1.00 95.53 32 A 1 ATOM 236 O OH . TYR A 1 32 ? -6.069 -1.709 5.496 1.00 93.72 32 A 1 ATOM 237 N N . GLU A 1 33 ? -0.979 1.945 11.215 1.00 98.15 33 A 1 ATOM 238 C CA . GLU A 1 33 ? -0.064 2.287 12.293 1.00 97.98 33 A 1 ATOM 239 C C . GLU A 1 33 ? -0.220 1.270 13.414 1.00 97.93 33 A 1 ATOM 240 O O . GLU A 1 33 ? -1.332 0.964 13.838 1.00 97.38 33 A 1 ATOM 241 C CB . GLU A 1 33 ? -0.380 3.703 12.786 1.00 97.03 33 A 1 ATOM 242 C CG . GLU A 1 33 ? 0.631 4.291 13.747 1.00 88.90 33 A 1 ATOM 243 C CD . GLU A 1 33 ? 0.505 5.804 13.845 1.00 83.84 33 A 1 ATOM 244 O OE1 . GLU A 1 33 ? -0.626 6.321 13.730 1.00 77.71 33 A 1 ATOM 245 O OE2 . GLU A 1 33 ? 1.545 6.472 14.017 1.00 75.68 33 A 1 ATOM 246 N N . LYS A 1 34 ? 0.895 0.729 13.883 1.00 97.39 34 A 1 ATOM 247 C CA . LYS A 1 34 ? 0.877 -0.251 14.962 1.00 97.05 34 A 1 ATOM 248 C C . LYS A 1 34 ? 2.184 -0.198 15.734 1.00 97.04 34 A 1 ATOM 249 O O . LYS A 1 34 ? 3.262 -0.257 15.147 1.00 96.25 34 A 1 ATOM 250 C CB . LYS A 1 34 ? 0.676 -1.666 14.417 1.00 95.82 34 A 1 ATOM 251 C CG . LYS A 1 34 ? 0.634 -2.738 15.500 1.00 92.89 34 A 1 ATOM 252 C CD . LYS A 1 34 ? 0.534 -4.137 14.920 1.00 90.05 34 A 1 ATOM 253 C CE . LYS A 1 34 ? 0.552 -5.187 16.020 1.00 83.08 34 A 1 ATOM 254 N NZ . LYS A 1 34 ? 0.534 -6.571 15.472 1.00 75.58 34 A 1 ATOM 255 N N . ASP A 1 35 ? 2.072 -0.092 17.044 1.00 96.15 35 A 1 ATOM 256 C CA . ASP A 1 35 ? 3.235 -0.063 17.923 1.00 95.42 35 A 1 ATOM 257 C C . ASP A 1 35 ? 4.296 0.947 17.485 1.00 95.31 35 A 1 ATOM 258 O O . ASP A 1 35 ? 5.496 0.669 17.538 1.00 92.82 35 A 1 ATOM 259 C CB . ASP A 1 35 ? 3.860 -1.465 18.017 1.00 93.78 35 A 1 ATOM 260 C CG . ASP A 1 35 ? 2.899 -2.495 18.585 1.00 89.65 35 A 1 ATOM 261 O OD1 . ASP A 1 35 ? 2.107 -2.138 19.482 1.00 86.63 35 A 1 ATOM 262 O OD2 . ASP A 1 35 ? 2.943 -3.661 18.141 1.00 85.01 35 A 1 ATOM 263 N N . GLY A 1 36 ? 3.839 2.112 17.061 1.00 94.62 36 A 1 ATOM 264 C CA . GLY A 1 36 ? 4.762 3.164 16.672 1.00 94.00 36 A 1 ATOM 265 C C . GLY A 1 36 ? 5.406 3.077 15.301 1.00 95.26 36 A 1 ATOM 266 O O . GLY A 1 36 ? 6.201 3.946 14.943 1.00 93.72 36 A 1 ATOM 267 N N . GLU A 1 37 ? 5.072 2.035 14.537 1.00 97.52 37 A 1 ATOM 268 C CA . GLU A 1 37 ? 5.645 1.924 13.200 1.00 97.57 37 A 1 ATOM 269 C C . GLU A 1 37 ? 4.547 1.853 12.146 1.00 98.08 37 A 1 ATOM 270 O O . GLU A 1 37 ? 3.367 1.678 12.464 1.00 97.79 37 A 1 ATOM 271 C CB . GLU A 1 37 ? 6.578 0.715 13.093 1.00 95.70 37 A 1 ATOM 272 C CG . GLU A 1 37 ? 5.902 -0.642 13.124 1.00 82.38 37 A 1 ATOM 273 C CD . GLU A 1 37 ? 6.913 -1.780 13.068 1.00 82.06 37 A 1 ATOM 274 O OE1 . GLU A 1 37 ? 7.961 -1.615 12.407 1.00 76.42 37 A 1 ATOM 275 O OE2 . GLU A 1 37 ? 6.663 -2.830 13.688 1.00 76.44 37 A 1 ATOM 276 N N . ILE A 1 38 ? 4.938 2.019 10.902 1.00 98.50 38 A 1 ATOM 277 C CA . ILE A 1 38 ? 4.000 1.997 9.792 1.00 98.60 38 A 1 ATOM 278 C C . ILE A 1 38 ? 4.051 0.650 9.086 1.00 98.59 38 A 1 ATOM 279 O O . ILE A 1 38 ? 5.125 0.125 8.807 1.00 98.41 38 A 1 ATOM 280 C CB . ILE A 1 38 ? 4.327 3.106 8.769 1.00 98.51 38 A 1 ATOM 281 C CG1 . ILE A 1 38 ? 4.341 4.478 9.454 1.00 97.61 38 A 1 ATOM 282 C CG2 . ILE A 1 38 ? 3.329 3.089 7.613 1.00 98.04 38 A 1 ATOM 283 C CD1 . ILE A 1 38 ? 3.029 4.889 10.087 1.00 94.17 38 A 1 ATOM 284 N N . ILE A 1 39 ? 2.872 0.102 8.806 1.00 98.25 39 A 1 ATOM 285 C CA . ILE A 1 39 ? 2.750 -1.159 8.088 1.00 98.03 39 A 1 ATOM 286 C C . ILE A 1 39 ? 1.978 -0.839 6.818 1.00 98.11 39 A 1 ATOM 287 O O . ILE A 1 39 ? 0.888 -0.271 6.877 1.00 97.84 39 A 1 ATOM 288 C CB . ILE A 1 39 ? 1.965 -2.205 8.906 1.00 97.31 39 A 1 ATOM 289 C CG1 . ILE A 1 39 ? 2.701 -2.491 10.222 1.00 92.86 39 A 1 ATOM 290 C CG2 . ILE A 1 39 ? 1.798 -3.485 8.092 1.00 90.99 39 A 1 ATOM 291 C CD1 . ILE A 1 39 ? 1.923 -3.382 11.172 1.00 82.88 39 A 1 ATOM 292 N N . ILE A 1 40 ? 2.541 -1.192 5.667 1.00 98.22 40 A 1 ATOM 293 C CA . ILE A 1 40 ? 1.878 -0.912 4.402 1.00 98.25 40 A 1 ATOM 294 C C . ILE A 1 40 ? 1.465 -2.210 3.718 1.00 97.97 40 A 1 ATOM 295 O O . ILE A 1 40 ? 2.266 -3.138 3.590 1.00 97.62 40 A 1 ATOM 296 C CB . ILE A 1 40 ? 2.791 -0.098 3.458 1.00 98.36 40 A 1 ATOM 297 C CG1 . ILE A 1 40 ? 3.323 1.145 4.185 1.00 97.92 40 A 1 ATOM 298 C CG2 . ILE A 1 40 ? 2.019 0.320 2.205 1.00 97.94 40 A 1 ATOM 299 C CD1 . ILE A 1 40 ? 4.316 1.960 3.378 1.00 96.77 40 A 1 ATOM 300 N N . HIS A 1 41 ? 0.209 -2.265 3.289 1.00 97.82 41 A 1 ATOM 301 C CA . HIS A 1 41 ? -0.333 -3.432 2.597 1.00 97.64 41 A 1 ATOM 302 C C . HIS A 1 41 ? -0.747 -3.042 1.188 1.00 98.06 41 A 1 ATOM 303 O O . HIS A 1 41 ? -1.258 -1.947 0.968 1.00 97.87 41 A 1 ATOM 304 C CB . HIS A 1 41 ? -1.589 -3.944 3.305 1.00 96.32 41 A 1 ATOM 305 C CG . HIS A 1 41 ? -1.340 -4.593 4.625 1.00 93.76 41 A 1 ATOM 306 N ND1 . HIS A 1 41 ? -2.365 -4.846 5.520 1.00 80.09 41 A 1 ATOM 307 C CD2 . HIS A 1 41 ? -0.211 -5.066 5.199 1.00 82.97 41 A 1 ATOM 308 C CE1 . HIS A 1 41 ? -1.874 -5.444 6.580 1.00 84.69 41 A 1 ATOM 309 N NE2 . HIS A 1 41 ? -0.568 -5.591 6.420 1.00 87.95 41 A 1 ATOM 310 N N . LEU A 1 42 ? -0.543 -3.945 0.240 1.00 98.14 42 A 1 ATOM 311 C CA . LEU A 1 42 ? -1.022 -3.697 -1.111 1.00 98.23 42 A 1 ATOM 312 C C . LEU A 1 42 ? -2.441 -4.251 -1.093 1.00 98.03 42 A 1 ATOM 313 O O . LEU A 1 42 ? -2.669 -5.369 -0.626 1.00 97.54 42 A 1 ATOM 314 C CB . LEU A 1 42 ? -0.190 -4.446 -2.156 1.00 98.11 42 A 1 ATOM 315 C CG . LEU A 1 42 ? -0.586 -4.149 -3.609 1.00 97.58 42 A 1 ATOM 316 C CD1 . LEU A 1 42 ? -0.270 -2.691 -3.942 1.00 96.87 42 A 1 ATOM 317 C CD2 . LEU A 1 42 ? 0.164 -5.080 -4.554 1.00 96.64 42 A 1 ATOM 318 N N . GLU A 1 43 ? -3.393 -3.479 -1.577 1.00 98.16 43 A 1 ATOM 319 C CA . GLU A 1 43 ? -4.786 -3.902 -1.573 1.00 98.18 43 A 1 ATOM 320 C C . GLU A 1 43 ? -5.402 -3.820 -2.955 1.00 98.26 43 A 1 ATOM 321 O O . GLU A 1 43 ? -5.017 -2.985 -3.775 1.00 98.11 43 A 1 ATOM 322 C CB . GLU A 1 43 ? -5.604 -3.040 -0.603 1.00 97.89 43 A 1 ATOM 323 C CG . GLU A 1 43 ? -5.076 -3.061 0.822 1.00 96.74 43 A 1 ATOM 324 C CD . GLU A 1 43 ? -5.914 -2.243 1.791 1.00 95.98 43 A 1 ATOM 325 O OE1 . GLU A 1 43 ? -6.730 -1.412 1.341 1.00 93.01 43 A 1 ATOM 326 O OE2 . GLU A 1 43 ? -5.740 -2.430 3.013 1.00 92.41 43 A 1 ATOM 327 N N . THR A 1 44 ? -6.360 -4.704 -3.211 1.00 97.82 44 A 1 ATOM 328 C CA . THR A 1 44 ? -7.086 -4.693 -4.467 1.00 97.46 44 A 1 ATOM 329 C C . THR A 1 44 ? -8.556 -4.882 -4.102 1.00 97.10 44 A 1 ATOM 330 O O . THR A 1 44 ? -8.906 -5.777 -3.336 1.00 95.24 44 A 1 ATOM 331 C CB . THR A 1 44 ? -6.597 -5.799 -5.439 1.00 96.25 44 A 1 ATOM 332 O OG1 . THR A 1 44 ? -7.392 -5.760 -6.633 1.00 78.86 44 A 1 ATOM 333 C CG2 . THR A 1 44 ? -6.673 -7.174 -4.805 1.00 79.88 44 A 1 ATOM 334 N N . ASN A 1 45 ? -9.393 -4.001 -4.626 1.00 96.64 45 A 1 ATOM 335 C CA . ASN A 1 45 ? -10.822 -4.016 -4.320 1.00 95.92 45 A 1 ATOM 336 C C . ASN A 1 45 ? -11.070 -3.939 -2.815 1.00 95.62 45 A 1 ATOM 337 O O . ASN A 1 45 ? -11.981 -4.573 -2.279 1.00 92.39 45 A 1 ATOM 338 C CB . ASN A 1 45 ? -11.490 -5.270 -4.905 1.00 94.24 45 A 1 ATOM 339 C CG . ASN A 1 45 ? -11.459 -5.287 -6.422 1.00 86.24 45 A 1 ATOM 340 O OD1 . ASN A 1 45 ? -11.610 -4.250 -7.069 1.00 76.48 45 A 1 ATOM 341 N ND2 . ASN A 1 45 ? -11.273 -6.467 -7.000 1.00 74.15 45 A 1 ATOM 342 N N . GLY A 1 46 ? -10.250 -3.143 -2.140 1.00 95.13 46 A 1 ATOM 343 C CA . GLY A 1 46 ? -10.421 -2.930 -0.714 1.00 94.11 46 A 1 ATOM 344 C C . GLY A 1 46 ? -9.913 -3.995 0.237 1.00 94.55 46 A 1 ATOM 345 O O . GLY A 1 46 ? -10.054 -3.849 1.452 1.00 92.50 46 A 1 ATOM 346 N N . SER A 1 47 ? -9.322 -5.054 -0.296 1.00 95.19 47 A 1 ATOM 347 C CA . SER A 1 47 ? -8.806 -6.129 0.545 1.00 95.52 47 A 1 ATOM 348 C C . SER A 1 47 ? -7.328 -6.369 0.276 1.00 96.22 47 A 1 ATOM 349 O O . SER A 1 47 ? -6.860 -6.203 -0.849 1.00 95.54 47 A 1 ATOM 350 C CB . SER A 1 47 ? -9.578 -7.420 0.286 1.00 94.11 47 A 1 ATOM 351 O OG . SER A 1 47 ? -10.933 -7.286 0.674 1.00 81.91 47 A 1 ATOM 352 N N . ARG A 1 48 ? -6.608 -6.766 1.311 1.00 96.09 48 A 1 ATOM 353 C CA . ARG A 1 48 ? -5.181 -7.012 1.163 1.00 95.99 48 A 1 ATOM 354 C C . ARG A 1 48 ? -4.900 -8.090 0.128 1.00 96.09 48 A 1 ATOM 355 O O . ARG A 1 48 ? -5.540 -9.141 0.120 1.00 94.93 48 A 1 ATOM 356 C CB . ARG A 1 48 ? -4.562 -7.431 2.495 1.00 94.37 48 A 1 ATOM 357 C CG . ARG A 1 48 ? -3.065 -7.687 2.395 1.00 89.21 48 A 1 ATOM 358 C CD . ARG A 1 48 ? -2.472 -8.167 3.700 1.00 85.59 48 A 1 ATOM 359 N NE . ARG A 1 48 ? -1.044 -8.446 3.552 1.00 80.81 48 A 1 ATOM 360 C CZ . ARG A 1 48 ? -0.273 -8.971 4.494 1.00 75.71 48 A 1 ATOM 361 N NH1 . ARG A 1 48 ? -0.785 -9.281 5.673 1.00 70.00 48 A 1 ATOM 362 N NH2 . ARG A 1 48 ? 1.013 -9.187 4.255 1.00 69.29 48 A 1 ATOM 363 N N . TRP A 1 49 ? -3.936 -7.814 -0.742 1.00 96.47 49 A 1 ATOM 364 C CA . TRP A 1 49 ? -3.509 -8.775 -1.744 1.00 95.92 49 A 1 ATOM 365 C C . TRP A 1 49 ? -2.418 -9.582 -1.039 1.00 94.56 49 A 1 ATOM 366 O O . TRP A 1 49 ? -1.277 -9.132 -0.918 1.00 91.63 49 A 1 ATOM 367 C CB . TRP A 1 49 ? -2.945 -8.058 -2.973 1.00 95.39 49 A 1 ATOM 368 C CG . TRP A 1 49 ? -2.599 -8.980 -4.098 1.00 94.41 49 A 1 ATOM 369 C CD1 . TRP A 1 49 ? -3.413 -9.916 -4.668 1.00 92.00 49 A 1 ATOM 370 C CD2 . TRP A 1 49 ? -1.354 -9.051 -4.806 1.00 93.53 49 A 1 ATOM 371 N NE1 . TRP A 1 49 ? -2.752 -10.565 -5.681 1.00 90.94 49 A 1 ATOM 372 C CE2 . TRP A 1 49 ? -1.488 -10.052 -5.793 1.00 92.75 49 A 1 ATOM 373 C CE3 . TRP A 1 49 ? -0.141 -8.362 -4.702 1.00 90.64 49 A 1 ATOM 374 C CZ2 . TRP A 1 49 ? -0.452 -10.379 -6.670 1.00 89.88 49 A 1 ATOM 375 C CZ3 . TRP A 1 49 ? 0.886 -8.689 -5.573 1.00 87.34 49 A 1 ATOM 376 C CH2 . TRP A 1 49 ? 0.726 -9.691 -6.546 1.00 88.00 49 A 1 ATOM 377 N N . LYS A 1 50 ? -2.789 -10.746 -0.549 1.00 91.57 50 A 1 ATOM 378 C CA . LYS A 1 50 ? -1.880 -11.564 0.249 1.00 89.34 50 A 1 ATOM 379 C C . LYS A 1 50 ? -0.691 -12.186 -0.476 1.00 88.81 50 A 1 ATOM 380 O O . LYS A 1 50 ? 0.195 -12.750 0.164 1.00 83.03 50 A 1 ATOM 381 C CB . LYS A 1 50 ? -2.684 -12.644 0.971 1.00 85.14 50 A 1 ATOM 382 C CG . LYS A 1 50 ? -3.695 -12.065 1.949 1.00 73.39 50 A 1 ATOM 383 C CD . LYS A 1 50 ? -4.494 -13.138 2.657 1.00 67.59 50 A 1 ATOM 384 C CE . LYS A 1 50 ? -5.498 -12.524 3.618 1.00 57.94 50 A 1 ATOM 385 N NZ . LYS A 1 50 ? -6.318 -13.552 4.309 1.00 50.55 50 A 1 ATOM 386 N N . SER A 1 51 ? -0.647 -12.071 -1.785 1.00 91.64 51 A 1 ATOM 387 C CA . SER A 1 51 ? 0.474 -12.616 -2.542 1.00 90.33 51 A 1 ATOM 388 C C . SER A 1 51 ? 1.769 -11.846 -2.283 1.00 89.59 51 A 1 ATOM 389 O O . SER A 1 51 ? 2.856 -12.347 -2.569 1.00 85.19 51 A 1 ATOM 390 C CB . SER A 1 51 ? 0.162 -12.610 -4.038 1.00 88.85 51 A 1 ATOM 391 O OG . SER A 1 51 ? -0.885 -13.515 -4.341 1.00 80.58 51 A 1 ATOM 392 N N . SER A 1 52 ? 1.650 -10.643 -1.759 1.00 86.90 52 A 1 ATOM 393 C CA . SER A 1 52 ? 2.822 -9.833 -1.442 1.00 84.52 52 A 1 ATOM 394 C C . SER A 1 52 ? 2.882 -9.567 0.059 1.00 85.62 52 A 1 ATOM 395 O O . SER A 1 52 ? 1.856 -9.299 0.682 1.00 83.75 52 A 1 ATOM 396 C CB . SER A 1 52 ? 2.781 -8.498 -2.186 1.00 80.54 52 A 1 ATOM 397 O OG . SER A 1 52 ? 3.047 -8.672 -3.562 1.00 73.47 52 A 1 ATOM 398 N N . PRO A 1 53 ? 4.077 -9.648 0.645 1.00 86.47 53 A 1 ATOM 399 C CA . PRO A 1 53 ? 4.206 -9.398 2.080 1.00 86.17 53 A 1 ATOM 400 C C . PRO A 1 53 ? 4.054 -7.913 2.389 1.00 88.82 53 A 1 ATOM 401 O O . PRO A 1 53 ? 4.206 -7.062 1.512 1.00 86.71 53 A 1 ATOM 402 C CB . PRO A 1 53 ? 5.614 -9.905 2.384 1.00 81.80 53 A 1 ATOM 403 C CG . PRO A 1 53 ? 6.350 -9.606 1.118 1.00 79.50 53 A 1 ATOM 404 C CD . PRO A 1 53 ? 5.369 -10.010 0.041 1.00 82.00 53 A 1 ATOM 405 N N . GLU A 1 54 ? 3.743 -7.620 3.638 1.00 91.11 54 A 1 ATOM 406 C CA . GLU A 1 54 ? 3.602 -6.233 4.054 1.00 92.55 54 A 1 ATOM 407 C C . GLU A 1 54 ? 4.965 -5.559 4.065 1.00 94.86 54 A 1 ATOM 408 O O . GLU A 1 54 ? 6.005 -6.228 4.117 1.00 94.33 54 A 1 ATOM 409 C CB . GLU A 1 54 ? 2.996 -6.169 5.459 1.00 88.32 54 A 1 ATOM 410 C CG . GLU A 1 54 ? 3.893 -6.791 6.523 1.00 81.84 54 A 1 ATOM 411 C CD . GLU A 1 54 ? 3.230 -6.875 7.885 1.00 81.73 54 A 1 ATOM 412 O OE1 . GLU A 1 54 ? 1.984 -6.868 7.946 1.00 77.53 54 A 1 ATOM 413 O OE2 . GLU A 1 54 ? 3.962 -6.971 8.891 1.00 76.89 54 A 1 ATOM 414 N N . VAL A 1 55 ? 4.950 -4.240 4.004 1.00 96.78 55 A 1 ATOM 415 C CA . VAL A 1 55 ? 6.176 -3.459 4.064 1.00 97.42 55 A 1 ATOM 416 C C . VAL A 1 55 ? 6.101 -2.684 5.374 1.00 97.75 55 A 1 ATOM 417 O O . VAL A 1 55 ? 5.066 -2.104 5.695 1.00 97.58 55 A 1 ATOM 418 C CB . VAL A 1 55 ? 6.269 -2.470 2.875 1.00 97.15 55 A 1 ATOM 419 C CG1 . VAL A 1 55 ? 7.378 -1.450 3.118 1.00 95.48 55 A 1 ATOM 420 C CG2 . VAL A 1 55 ? 6.535 -3.244 1.589 1.00 95.44 55 A 1 ATOM 421 N N . ARG A 1 56 ? 7.190 -2.696 6.127 1.00 98.00 56 A 1 ATOM 422 C CA . ARG A 1 56 ? 7.235 -1.974 7.393 1.00 97.91 56 A 1 ATOM 423 C C . ARG A 1 56 ? 8.309 -0.901 7.355 1.00 98.09 56 A 1 ATOM 424 O O . ARG A 1 56 ? 9.363 -1.084 6.735 1.00 97.57 56 A 1 ATOM 425 C CB . ARG A 1 56 ? 7.545 -2.924 8.555 1.00 96.85 56 A 1 ATOM 426 C CG . ARG A 1 56 ? 6.438 -3.892 8.911 1.00 89.65 56 A 1 ATOM 427 C CD . ARG A 1 56 ? 6.877 -4.813 10.032 1.00 85.69 56 A 1 ATOM 428 N NE . ARG A 1 56 ? 5.809 -5.720 10.452 1.00 77.11 56 A 1 ATOM 429 C CZ . ARG A 1 56 ? 5.102 -5.582 11.570 1.00 70.30 56 A 1 ATOM 430 N NH1 . ARG A 1 56 ? 5.347 -4.585 12.405 1.00 64.79 56 A 1 ATOM 431 N NH2 . ARG A 1 56 ? 4.146 -6.455 11.852 1.00 61.78 56 A 1 ATOM 432 N N . MET A 1 57 ? 8.041 0.205 8.023 1.00 98.08 57 A 1 ATOM 433 C CA . MET A 1 57 ? 9.020 1.276 8.118 1.00 98.10 57 A 1 ATOM 434 C C . MET A 1 57 ? 8.681 2.136 9.323 1.00 98.46 57 A 1 ATOM 435 O O . MET A 1 57 ? 7.580 2.057 9.868 1.00 98.28 57 A 1 ATOM 436 C CB . MET A 1 57 ? 9.051 2.123 6.836 1.00 96.72 57 A 1 ATOM 437 C CG . MET A 1 57 ? 7.756 2.821 6.481 1.00 92.74 57 A 1 ATOM 438 S SD . MET A 1 57 ? 7.902 3.750 4.897 1.00 95.24 57 A 1 ATOM 439 C CE . MET A 1 57 ? 7.930 2.398 3.697 1.00 90.96 57 A 1 ATOM 440 N N . THR A 1 58 ? 9.639 2.929 9.763 1.00 98.34 58 A 1 ATOM 441 C CA . THR A 1 58 ? 9.396 3.801 10.902 1.00 98.37 58 A 1 ATOM 442 C C . THR A 1 58 ? 8.532 4.966 10.438 1.00 98.41 58 A 1 ATOM 443 O O . THR A 1 58 ? 8.395 5.214 9.238 1.00 98.30 58 A 1 ATOM 444 C CB . THR A 1 58 ? 10.708 4.377 11.468 1.00 98.15 58 A 1 ATOM 445 O OG1 . THR A 1 58 ? 11.315 5.230 10.490 1.00 96.48 58 A 1 ATOM 446 C CG2 . THR A 1 58 ? 11.681 3.256 11.838 1.00 96.20 58 A 1 ATOM 447 N N . LYS A 1 59 ? 7.954 5.670 11.401 1.00 98.15 59 A 1 ATOM 448 C CA . LYS A 1 59 ? 7.118 6.817 11.070 1.00 97.88 59 A 1 ATOM 449 C C . LYS A 1 59 ? 7.960 7.852 10.318 1.00 97.99 59 A 1 ATOM 450 O O . LYS A 1 59 ? 7.493 8.464 9.361 1.00 97.83 59 A 1 ATOM 451 C CB . LYS A 1 59 ? 6.554 7.429 12.347 1.00 97.12 59 A 1 ATOM 452 C CG . LYS A 1 59 ? 5.645 8.637 12.141 1.00 86.93 59 A 1 ATOM 453 C CD . LYS A 1 59 ? 4.458 8.317 11.236 1.00 78.94 59 A 1 ATOM 454 C CE . LYS A 1 59 ? 3.335 9.322 11.421 1.00 69.97 59 A 1 ATOM 455 N NZ . LYS A 1 59 ? 3.794 10.737 11.309 1.00 60.94 59 A 1 ATOM 456 N N . GLU A 1 60 ? 9.191 8.037 10.759 1.00 97.81 60 A 1 ATOM 457 C CA . GLU A 1 60 ? 10.079 9.008 10.117 1.00 97.89 60 A 1 ATOM 458 C C . GLU A 1 60 ? 10.361 8.616 8.666 1.00 98.12 60 A 1 ATOM 459 O O . GLU A 1 60 ? 10.353 9.463 7.768 1.00 98.00 60 A 1 ATOM 460 C CB . GLU A 1 60 ? 11.392 9.122 10.898 1.00 97.49 60 A 1 ATOM 461 C CG . GLU A 1 60 ? 12.396 10.091 10.287 1.00 83.16 60 A 1 ATOM 462 C CD . GLU A 1 60 ? 13.623 10.282 11.163 1.00 74.25 60 A 1 ATOM 463 O OE1 . GLU A 1 60 ? 14.111 9.288 11.734 1.00 70.06 60 A 1 ATOM 464 O OE2 . GLU A 1 60 ? 14.099 11.432 11.271 1.00 69.89 60 A 1 ATOM 465 N N . GLU A 1 61 ? 10.609 7.327 8.441 1.00 98.35 61 A 1 ATOM 466 C CA . GLU A 1 61 ? 10.879 6.853 7.086 1.00 98.35 61 A 1 ATOM 467 C C . GLU A 1 61 ? 9.647 7.028 6.206 1.00 98.35 61 A 1 ATOM 468 O O . GLU A 1 61 ? 9.753 7.399 5.035 1.00 98.23 61 A 1 ATOM 469 C CB . GLU A 1 61 ? 11.299 5.378 7.108 1.00 98.25 61 A 1 ATOM 470 C CG . GLU A 1 61 ? 12.639 5.139 7.789 1.00 95.21 61 A 1 ATOM 471 C CD . GLU A 1 61 ? 12.980 3.664 7.895 1.00 93.65 61 A 1 ATOM 472 O OE1 . GLU A 1 61 ? 12.075 2.863 8.196 1.00 90.08 61 A 1 ATOM 473 O OE2 . GLU A 1 61 ? 14.162 3.317 7.687 1.00 90.93 61 A 1 ATOM 474 N N . TYR A 1 62 ? 8.473 6.759 6.774 1.00 98.61 62 A 1 ATOM 475 C CA . TYR A 1 62 ? 7.234 6.905 6.015 1.00 98.59 62 A 1 ATOM 476 C C . TYR A 1 62 ? 6.997 8.368 5.649 1.00 98.52 62 A 1 ATOM 477 O O . TYR A 1 62 ? 6.612 8.676 4.523 1.00 98.40 62 A 1 ATOM 478 C CB . TYR A 1 62 ? 6.043 6.369 6.813 1.00 98.50 62 A 1 ATOM 479 C CG . TYR A 1 62 ? 4.734 6.452 6.053 1.00 98.57 62 A 1 ATOM 480 C CD1 . TYR A 1 62 ? 4.548 5.729 4.878 1.00 98.38 62 A 1 ATOM 481 C CD2 . TYR A 1 62 ? 3.701 7.276 6.495 1.00 98.38 62 A 1 ATOM 482 C CE1 . TYR A 1 62 ? 3.364 5.823 4.159 1.00 98.18 62 A 1 ATOM 483 C CE2 . TYR A 1 62 ? 2.511 7.372 5.781 1.00 98.15 62 A 1 ATOM 484 C CZ . TYR A 1 62 ? 2.347 6.647 4.611 1.00 98.26 62 A 1 ATOM 485 O OH . TYR A 1 62 ? 1.174 6.748 3.897 1.00 97.75 62 A 1 ATOM 486 N N . ASP A 1 63 ? 7.220 9.265 6.594 1.00 98.13 63 A 1 ATOM 487 C CA . ASP A 1 63 ? 7.030 10.688 6.315 1.00 97.92 63 A 1 ATOM 488 C C . ASP A 1 63 ? 7.947 11.123 5.172 1.00 98.04 63 A 1 ATOM 489 O O . ASP A 1 63 ? 7.550 11.909 4.310 1.00 97.85 63 A 1 ATOM 490 C CB . ASP A 1 63 ? 7.322 11.529 7.563 1.00 97.34 63 A 1 ATOM 491 C CG . ASP A 1 63 ? 6.251 11.388 8.633 1.00 93.21 63 A 1 ATOM 492 O OD1 . ASP A 1 63 ? 5.147 10.892 8.331 1.00 91.31 63 A 1 ATOM 493 O OD2 . ASP A 1 63 ? 6.514 11.798 9.784 1.00 90.70 63 A 1 ATOM 494 N N . SER A 1 64 ? 9.160 10.603 5.166 1.00 98.21 64 A 1 ATOM 495 C CA . SER A 1 64 ? 10.113 10.929 4.107 1.00 98.15 64 A 1 ATOM 496 C C . SER A 1 64 ? 9.630 10.343 2.777 1.00 98.23 64 A 1 ATOM 497 O O . SER A 1 64 ? 9.692 10.999 1.735 1.00 97.89 64 A 1 ATOM 498 C CB . SER A 1 64 ? 11.495 10.370 4.455 1.00 97.75 64 A 1 ATOM 499 O OG . SER A 1 64 ? 12.432 10.667 3.434 1.00 82.05 64 A 1 ATOM 500 N N . PHE A 1 65 ? 9.143 9.103 2.827 1.00 98.47 65 A 1 ATOM 501 C CA . PHE A 1 65 ? 8.634 8.428 1.634 1.00 98.42 65 A 1 ATOM 502 C C . PHE A 1 65 ? 7.486 9.210 1.001 1.00 98.42 65 A 1 ATOM 503 O O . PHE A 1 65 ? 7.359 9.254 -0.226 1.00 98.18 65 A 1 ATOM 504 C CB . PHE A 1 65 ? 8.151 7.023 2.015 1.00 98.24 65 A 1 ATOM 505 C CG . PHE A 1 65 ? 7.556 6.244 0.868 1.00 98.21 65 A 1 ATOM 506 C CD1 . PHE A 1 65 ? 8.366 5.720 -0.133 1.00 97.86 65 A 1 ATOM 507 C CD2 . PHE A 1 65 ? 6.183 6.034 0.794 1.00 97.81 65 A 1 ATOM 508 C CE1 . PHE A 1 65 ? 7.818 5.003 -1.189 1.00 97.25 65 A 1 ATOM 509 C CE2 . PHE A 1 65 ? 5.629 5.316 -0.260 1.00 97.23 65 A 1 ATOM 510 C CZ . PHE A 1 65 ? 6.449 4.800 -1.253 1.00 97.32 65 A 1 ATOM 511 N N . CYS A 1 66 ? 6.657 9.823 1.846 1.00 98.45 66 A 1 ATOM 512 C CA . CYS A 1 66 ? 5.496 10.565 1.363 1.00 98.32 66 A 1 ATOM 513 C C . CYS A 1 66 ? 5.787 11.964 0.821 1.00 98.31 66 A 1 ATOM 514 O O . CYS A 1 66 ? 4.891 12.610 0.280 1.00 97.77 66 A 1 ATOM 515 C CB . CYS A 1 66 ? 4.444 10.664 2.473 1.00 98.00 66 A 1 ATOM 516 S SG . CYS A 1 66 ? 3.673 9.086 2.875 1.00 97.25 66 A 1 ATOM 517 N N . GLU A 1 67 ? 7.014 12.424 0.946 1.00 98.01 67 A 1 ATOM 518 C CA . GLU A 1 67 ? 7.351 13.748 0.436 1.00 97.72 67 A 1 ATOM 519 C C . GLU A 1 67 ? 7.224 13.732 -1.084 1.00 97.33 67 A 1 ATOM 520 O O . GLU A 1 67 ? 7.484 12.716 -1.734 1.00 96.13 67 A 1 ATOM 521 C CB . GLU A 1 67 ? 8.775 14.142 0.839 1.00 97.25 67 A 1 ATOM 522 C CG . GLU A 1 67 ? 8.926 14.446 2.326 1.00 92.17 67 A 1 ATOM 523 C CD . GLU A 1 67 ? 8.033 15.595 2.775 1.00 86.60 67 A 1 ATOM 524 O OE1 . GLU A 1 67 ? 8.055 16.665 2.130 1.00 81.48 67 A 1 ATOM 525 O OE2 . GLU A 1 67 ? 7.306 15.426 3.776 1.00 81.20 67 A 1 ATOM 526 N N . LYS A 1 68 ? 6.813 14.856 -1.640 1.00 95.63 68 A 1 ATOM 527 C CA . LYS A 1 68 ? 6.614 14.959 -3.079 1.00 95.39 68 A 1 ATOM 528 C C . LYS A 1 68 ? 7.863 14.615 -3.890 1.00 95.59 68 A 1 ATOM 529 O O . LYS A 1 68 ? 8.962 15.067 -3.583 1.00 92.50 68 A 1 ATOM 530 C CB . LYS A 1 68 ? 6.142 16.367 -3.452 1.00 92.87 68 A 1 ATOM 531 C CG . LYS A 1 68 ? 5.727 16.514 -4.909 1.00 82.74 68 A 1 ATOM 532 C CD . LYS A 1 68 ? 5.203 17.908 -5.204 1.00 77.72 68 A 1 ATOM 533 C CE . LYS A 1 68 ? 4.682 18.011 -6.629 1.00 68.37 68 A 1 ATOM 534 N NZ . LYS A 1 68 ? 5.722 17.702 -7.648 1.00 59.28 68 A 1 ATOM 535 N N . GLN A 1 69 ? 7.657 13.806 -4.921 1.00 96.12 69 A 1 ATOM 536 C CA . GLN A 1 69 ? 8.724 13.399 -5.828 1.00 96.00 69 A 1 ATOM 537 C C . GLN A 1 69 ? 8.132 13.444 -7.234 1.00 96.08 69 A 1 ATOM 538 O O . GLN A 1 69 ? 6.931 13.664 -7.402 1.00 94.07 69 A 1 ATOM 539 C CB . GLN A 1 69 ? 9.211 11.983 -5.495 1.00 93.96 69 A 1 ATOM 540 C CG . GLN A 1 69 ? 9.963 11.904 -4.177 1.00 86.86 69 A 1 ATOM 541 C CD . GLN A 1 69 ? 10.475 10.511 -3.885 1.00 83.92 69 A 1 ATOM 542 O OE1 . GLN A 1 69 ? 10.785 9.745 -4.797 1.00 78.12 69 A 1 ATOM 543 N NE2 . GLN A 1 69 ? 10.585 10.173 -2.605 1.00 74.58 69 A 1 ATOM 544 N N . SER A 1 70 ? 8.970 13.248 -8.249 1.00 95.90 70 A 1 ATOM 545 C CA . SER A 1 70 ? 8.488 13.304 -9.624 1.00 95.94 70 A 1 ATOM 546 C C . SER A 1 70 ? 7.412 12.257 -9.912 1.00 95.85 70 A 1 ATOM 547 O O . SER A 1 70 ? 6.435 12.535 -10.606 1.00 94.15 70 A 1 ATOM 548 C CB . SER A 1 70 ? 9.653 13.146 -10.604 1.00 95.66 70 A 1 ATOM 549 O OG . SER A 1 70 ? 10.366 11.958 -10.375 1.00 88.72 70 A 1 ATOM 550 N N . ARG A 1 71 ? 7.584 11.041 -9.374 1.00 96.30 71 A 1 ATOM 551 C CA . ARG A 1 71 ? 6.583 9.994 -9.569 1.00 96.04 71 A 1 ATOM 552 C C . ARG A 1 71 ? 5.500 10.133 -8.500 1.00 96.76 71 A 1 ATOM 553 O O . ARG A 1 71 ? 5.807 10.357 -7.328 1.00 96.33 71 A 1 ATOM 554 C CB . ARG A 1 71 ? 7.221 8.602 -9.485 1.00 93.82 71 A 1 ATOM 555 C CG . ARG A 1 71 ? 8.179 8.297 -10.629 1.00 85.15 71 A 1 ATOM 556 C CD . ARG A 1 71 ? 8.777 6.900 -10.521 1.00 84.46 71 A 1 ATOM 557 N NE . ARG A 1 71 ? 7.833 5.829 -10.858 1.00 81.56 71 A 1 ATOM 558 C CZ . ARG A 1 71 ? 7.372 5.586 -12.085 1.00 79.16 71 A 1 ATOM 559 N NH1 . ARG A 1 71 ? 7.739 6.347 -13.109 1.00 71.74 71 A 1 ATOM 560 N NH2 . ARG A 1 71 ? 6.538 4.572 -12.293 1.00 71.15 71 A 1 ATOM 561 N N . PRO A 1 72 ? 4.230 10.014 -8.891 1.00 97.07 72 A 1 ATOM 562 C CA . PRO A 1 72 ? 3.126 10.139 -7.929 1.00 97.22 72 A 1 ATOM 563 C C . PRO A 1 72 ? 3.272 9.178 -6.753 1.00 97.85 72 A 1 ATOM 564 O O . PRO A 1 72 ? 3.687 8.033 -6.921 1.00 97.77 72 A 1 ATOM 565 C CB . PRO A 1 72 ? 1.894 9.815 -8.776 1.00 96.21 72 A 1 ATOM 566 C CG . PRO A 1 72 ? 2.291 10.262 -10.148 1.00 93.78 72 A 1 ATOM 567 C CD . PRO A 1 72 ? 3.721 9.788 -10.251 1.00 96.23 72 A 1 ATOM 568 N N . LEU A 1 73 ? 2.915 9.643 -5.576 1.00 97.92 73 A 1 ATOM 569 C CA . LEU A 1 73 ? 3.018 8.826 -4.374 1.00 98.28 73 A 1 ATOM 570 C C . LEU A 1 73 ? 2.226 7.522 -4.459 1.00 98.34 73 A 1 ATOM 571 O O . LEU A 1 73 ? 2.707 6.477 -4.021 1.00 98.25 73 A 1 ATOM 572 C CB . LEU A 1 73 ? 2.574 9.629 -3.144 1.00 98.30 73 A 1 ATOM 573 C CG . LEU A 1 73 ? 2.630 8.911 -1.794 1.00 98.08 73 A 1 ATOM 574 C CD1 . LEU A 1 73 ? 4.031 8.370 -1.529 1.00 97.93 73 A 1 ATOM 575 C CD2 . LEU A 1 73 ? 2.216 9.882 -0.692 1.00 97.79 73 A 1 ATOM 576 N N . PHE A 1 74 ? 1.016 7.567 -5.026 1.00 98.18 74 A 1 ATOM 577 C CA . PHE A 1 74 ? 0.229 6.334 -5.090 1.00 98.11 74 A 1 ATOM 578 C C . PHE A 1 74 ? 0.906 5.295 -5.975 1.00 98.17 74 A 1 ATOM 579 O O . PHE A 1 74 ? 0.784 4.095 -5.734 1.00 98.02 74 A 1 ATOM 580 C CB . PHE A 1 74 ? -1.225 6.586 -5.533 1.00 97.69 74 A 1 ATOM 581 C CG . PHE A 1 74 ? -1.429 6.837 -7.008 1.00 96.82 74 A 1 ATOM 582 C CD1 . PHE A 1 74 ? -1.245 8.104 -7.546 1.00 96.01 74 A 1 ATOM 583 C CD2 . PHE A 1 74 ? -1.864 5.815 -7.845 1.00 95.84 74 A 1 ATOM 584 C CE1 . PHE A 1 74 ? -1.478 8.346 -8.899 1.00 94.14 74 A 1 ATOM 585 C CE2 . PHE A 1 74 ? -2.097 6.051 -9.199 1.00 94.26 74 A 1 ATOM 586 C CZ . PHE A 1 74 ? -1.905 7.320 -9.726 1.00 93.30 74 A 1 ATOM 587 N N . VAL A 1 75 ? 1.633 5.759 -6.979 1.00 98.16 75 A 1 ATOM 588 C CA . VAL A 1 75 ? 2.364 4.857 -7.864 1.00 98.20 75 A 1 ATOM 589 C C . VAL A 1 75 ? 3.552 4.262 -7.110 1.00 98.23 75 A 1 ATOM 590 O O . VAL A 1 75 ? 3.786 3.052 -7.155 1.00 98.09 75 A 1 ATOM 591 C CB . VAL A 1 75 ? 2.866 5.594 -9.127 1.00 97.95 75 A 1 ATOM 592 C CG1 . VAL A 1 75 ? 3.807 4.698 -9.928 1.00 97.25 75 A 1 ATOM 593 C CG2 . VAL A 1 75 ? 1.679 6.016 -9.982 1.00 97.34 75 A 1 ATOM 594 N N . ARG A 1 76 ? 4.296 5.102 -6.410 1.00 98.36 76 A 1 ATOM 595 C CA . ARG A 1 76 ? 5.447 4.622 -5.657 1.00 98.30 76 A 1 ATOM 596 C C . ARG A 1 76 ? 5.018 3.635 -4.569 1.00 98.20 76 A 1 ATOM 597 O O . ARG A 1 76 ? 5.730 2.676 -4.277 1.00 98.05 76 A 1 ATOM 598 C CB . ARG A 1 76 ? 6.223 5.802 -5.068 1.00 98.32 76 A 1 ATOM 599 C CG . ARG A 1 76 ? 6.927 6.618 -6.151 1.00 97.44 76 A 1 ATOM 600 C CD . ARG A 1 76 ? 7.877 7.666 -5.589 1.00 96.58 76 A 1 ATOM 601 N NE . ARG A 1 76 ? 7.185 8.810 -5.005 1.00 94.76 76 A 1 ATOM 602 C CZ . ARG A 1 76 ? 7.115 9.073 -3.705 1.00 95.12 76 A 1 ATOM 603 N NH1 . ARG A 1 76 ? 7.689 8.266 -2.824 1.00 88.21 76 A 1 ATOM 604 N NH2 . ARG A 1 76 ? 6.471 10.157 -3.285 1.00 89.91 76 A 1 ATOM 605 N N . GLY A 1 77 ? 3.850 3.868 -3.989 1.00 98.32 77 A 1 ATOM 606 C CA . GLY A 1 77 ? 3.339 2.957 -2.973 1.00 98.30 77 A 1 ATOM 607 C C . GLY A 1 77 ? 3.092 1.576 -3.554 1.00 98.25 77 A 1 ATOM 608 O O . GLY A 1 77 ? 3.464 0.559 -2.962 1.00 98.09 77 A 1 ATOM 609 N N . ILE A 1 78 ? 2.473 1.538 -4.722 1.00 98.16 78 A 1 ATOM 610 C CA . ILE A 1 78 ? 2.200 0.271 -5.396 1.00 98.16 78 A 1 ATOM 611 C C . ILE A 1 78 ? 3.516 -0.416 -5.766 1.00 97.95 78 A 1 ATOM 612 O O . ILE A 1 78 ? 3.656 -1.636 -5.627 1.00 97.65 78 A 1 ATOM 613 C CB . ILE A 1 78 ? 1.344 0.513 -6.662 1.00 98.22 78 A 1 ATOM 614 C CG1 . ILE A 1 78 ? -0.075 0.930 -6.249 1.00 98.04 78 A 1 ATOM 615 C CG2 . ILE A 1 78 ? 1.310 -0.730 -7.545 1.00 98.09 78 A 1 ATOM 616 C CD1 . ILE A 1 78 ? -0.938 1.430 -7.398 1.00 97.73 78 A 1 ATOM 617 N N . GLU A 1 79 ? 4.482 0.371 -6.225 1.00 97.93 79 A 1 ATOM 618 C CA . GLU A 1 79 ? 5.770 -0.180 -6.636 1.00 97.68 79 A 1 ATOM 619 C C . GLU A 1 79 ? 6.598 -0.766 -5.493 1.00 97.45 79 A 1 ATOM 620 O O . GLU A 1 79 ? 7.538 -1.527 -5.733 1.00 96.99 79 A 1 ATOM 621 C CB . GLU A 1 79 ? 6.566 0.884 -7.397 1.00 97.59 79 A 1 ATOM 622 C CG . GLU A 1 79 ? 5.881 1.284 -8.703 1.00 96.87 79 A 1 ATOM 623 C CD . GLU A 1 79 ? 6.601 2.374 -9.474 1.00 96.17 79 A 1 ATOM 624 O OE1 . GLU A 1 79 ? 7.371 3.137 -8.865 1.00 94.16 79 A 1 ATOM 625 O OE2 . GLU A 1 79 ? 6.369 2.469 -10.700 1.00 93.82 79 A 1 ATOM 626 N N . LEU A 1 80 ? 6.240 -0.456 -4.255 1.00 97.49 80 A 1 ATOM 627 C CA . LEU A 1 80 ? 6.945 -1.023 -3.107 1.00 97.32 80 A 1 ATOM 628 C C . LEU A 1 80 ? 6.796 -2.540 -3.111 1.00 97.18 80 A 1 ATOM 629 O O . LEU A 1 80 ? 7.632 -3.260 -2.560 1.00 96.22 80 A 1 ATOM 630 C CB . LEU A 1 80 ? 6.364 -0.494 -1.791 1.00 96.96 80 A 1 ATOM 631 C CG . LEU A 1 80 ? 6.698 0.923 -1.346 1.00 94.27 80 A 1 ATOM 632 C CD1 . LEU A 1 80 ? 5.912 1.238 -0.082 1.00 95.07 80 A 1 ATOM 633 C CD2 . LEU A 1 80 ? 8.196 1.046 -1.089 1.00 95.12 80 A 1 ATOM 634 N N . PHE A 1 81 ? 5.712 -3.022 -3.721 1.00 97.29 81 A 1 ATOM 635 C CA . PHE A 1 81 ? 5.407 -4.445 -3.746 1.00 97.22 81 A 1 ATOM 636 C C . PHE A 1 81 ? 5.782 -5.147 -5.040 1.00 96.81 81 A 1 ATOM 637 O O . PHE A 1 81 ? 5.416 -6.304 -5.260 1.00 95.69 81 A 1 ATOM 638 C CB . PHE A 1 81 ? 3.924 -4.648 -3.440 1.00 97.43 81 A 1 ATOM 639 C CG . PHE A 1 81 ? 3.513 -4.053 -2.124 1.00 97.73 81 A 1 ATOM 640 C CD1 . PHE A 1 81 ? 3.184 -2.706 -2.026 1.00 97.53 81 A 1 ATOM 641 C CD2 . PHE A 1 81 ? 3.536 -4.823 -0.969 1.00 97.63 81 A 1 ATOM 642 C CE1 . PHE A 1 81 ? 2.889 -2.134 -0.795 1.00 97.35 81 A 1 ATOM 643 C CE2 . PHE A 1 81 ? 3.240 -4.259 0.264 1.00 97.39 81 A 1 ATOM 644 C CZ . PHE A 1 81 ? 2.920 -2.912 0.351 1.00 97.50 81 A 1 ATOM 645 N N . GLY A 1 82 ? 6.513 -4.451 -5.896 1.00 96.91 82 A 1 ATOM 646 C CA . GLY A 1 82 ? 6.926 -5.051 -7.154 1.00 96.40 82 A 1 ATOM 647 C C . GLY A 1 82 ? 5.844 -5.039 -8.216 1.00 96.75 82 A 1 ATOM 648 O O . GLY A 1 82 ? 6.011 -5.629 -9.286 1.00 96.04 82 A 1 ATOM 649 N N . ALA A 1 83 ? 4.734 -4.368 -7.931 1.00 96.94 83 A 1 ATOM 650 C CA . ALA A 1 83 ? 3.637 -4.277 -8.883 1.00 97.22 83 A 1 ATOM 651 C C . ALA A 1 83 ? 3.842 -3.034 -9.741 1.00 97.32 83 A 1 ATOM 652 O O . ALA A 1 83 ? 4.617 -2.142 -9.387 1.00 97.08 83 A 1 ATOM 653 C CB . ALA A 1 83 ? 2.301 -4.205 -8.147 1.00 97.24 83 A 1 ATOM 654 N N . GLU A 1 84 ? 3.152 -2.978 -10.873 1.00 97.74 84 A 1 ATOM 655 C CA . GLU A 1 84 ? 3.272 -1.846 -11.783 1.00 97.81 84 A 1 ATOM 656 C C . GLU A 1 84 ? 1.917 -1.188 -11.981 1.00 98.00 84 A 1 ATOM 657 O O . GLU A 1 84 ? 0.953 -1.836 -12.382 1.00 97.74 84 A 1 ATOM 658 C CB . GLU A 1 84 ? 3.819 -2.305 -13.136 1.00 97.13 84 A 1 ATOM 659 C CG . GLU A 1 84 ? 5.156 -3.024 -13.057 1.00 84.81 84 A 1 ATOM 660 C CD . GLU A 1 84 ? 5.650 -3.480 -14.418 1.00 79.57 84 A 1 ATOM 661 O OE1 . GLU A 1 84 ? 4.848 -4.051 -15.187 1.00 73.70 84 A 1 ATOM 662 O OE2 . GLU A 1 84 ? 6.842 -3.269 -14.712 1.00 71.99 84 A 1 ATOM 663 N N . ALA A 1 85 ? 1.842 0.109 -11.694 1.00 97.87 85 A 1 ATOM 664 C CA . ALA A 1 85 ? 0.602 0.853 -11.859 1.00 97.66 85 A 1 ATOM 665 C C . ALA A 1 85 ? 0.359 1.131 -13.334 1.00 97.40 85 A 1 ATOM 666 O O . ALA A 1 85 ? 1.292 1.458 -14.075 1.00 96.20 85 A 1 ATOM 667 C CB . ALA A 1 85 ? 0.678 2.172 -11.093 1.00 97.08 85 A 1 ATOM 668 N N . LEU A 1 86 ? -0.894 0.986 -13.764 1.00 97.26 86 A 1 ATOM 669 C CA . LEU A 1 86 ? -1.259 1.265 -15.145 1.00 96.31 86 A 1 ATOM 670 C C . LEU A 1 86 ? -1.931 2.629 -15.145 1.00 94.18 86 A 1 ATOM 671 O O . LEU A 1 86 ? -3.027 2.793 -14.612 1.00 89.58 86 A 1 ATOM 672 C CB . LEU A 1 86 ? -2.206 0.188 -15.672 1.00 95.46 86 A 1 ATOM 673 C CG . LEU A 1 86 ? -1.637 -1.238 -15.674 1.00 92.23 86 A 1 ATOM 674 C CD1 . LEU A 1 86 ? -2.663 -2.206 -16.247 1.00 87.86 86 A 1 ATOM 675 C CD2 . LEU A 1 86 ? -0.342 -1.284 -16.472 1.00 86.61 86 A 1 ATOM 676 N N . LEU A 1 87 ? -1.256 3.606 -15.732 1.00 91.89 87 A 1 ATOM 677 C CA . LEU A 1 87 ? -1.749 4.980 -15.754 1.00 88.60 87 A 1 ATOM 678 C C . LEU A 1 87 ? -2.201 5.448 -17.125 1.00 84.47 87 A 1 ATOM 679 O O . LEU A 1 87 ? -1.795 4.890 -18.146 1.00 74.15 87 A 1 ATOM 680 C CB . LEU A 1 87 ? -0.656 5.921 -15.248 1.00 84.65 87 A 1 ATOM 681 C CG . LEU A 1 87 ? 0.012 5.547 -13.927 1.00 82.82 87 A 1 ATOM 682 C CD1 . LEU A 1 87 ? 1.144 6.518 -13.640 1.00 78.66 87 A 1 ATOM 683 C CD2 . LEU A 1 87 ? -1.017 5.555 -12.815 1.00 77.64 87 A 1 ATOM 684 N N . SER A 1 88 ? -3.034 6.485 -17.119 1.00 74.18 88 A 1 ATOM 685 C CA . SER A 1 88 ? -3.525 7.067 -18.365 1.00 71.97 88 A 1 ATOM 686 C C . SER A 1 88 ? -2.477 8.015 -18.931 1.00 66.96 88 A 1 ATOM 687 O O . SER A 1 88 ? -2.448 8.220 -20.154 1.00 60.47 88 A 1 ATOM 688 C CB . SER A 1 88 ? -4.830 7.818 -18.121 1.00 64.42 88 A 1 ATOM 689 O OG . SER A 1 88 ? -5.871 6.938 -17.752 1.00 59.36 88 A 1 ATOM 690 O OXT . SER A 1 88 ? -1.689 8.567 -18.144 1.00 58.63 88 A 1 #