# 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_aca4 # _entry.id aca4 # 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 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" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n THR 2 1 n GLU 3 1 n GLU 4 1 n GLN 5 1 n PHE 6 1 n SER 7 1 n ALA 8 1 n LEU 9 1 n ALA 10 1 n GLU 11 1 n LEU 12 1 n MET 13 1 n ARG 14 1 n LEU 15 1 n ARG 16 1 n GLY 17 1 n GLY 18 1 n PRO 19 1 n GLY 20 1 n GLU 21 1 n ASP 22 1 n ALA 23 1 n ALA 24 1 n ARG 25 1 n LEU 26 1 n VAL 27 1 n LEU 28 1 n VAL 29 1 n ASN 30 1 n GLY 31 1 n LEU 32 1 n LYS 33 1 n PRO 34 1 n THR 35 1 n ASP 36 1 n ALA 37 1 n ALA 38 1 n ARG 39 1 n LYS 40 1 n THR 41 1 n GLY 42 1 n ILE 43 1 n THR 44 1 n PRO 45 1 n GLN 46 1 n ALA 47 1 n VAL 48 1 n ASN 49 1 n LYS 50 1 n THR 51 1 n LEU 52 1 n SER 53 1 n SER 54 1 n CYS 55 1 n ARG 56 1 n ARG 57 1 n GLY 58 1 n ILE 59 1 n GLU 60 1 n LEU 61 1 n ALA 62 1 n LYS 63 1 n ARG 64 1 n VAL 65 1 n PHE 66 1 n THR 67 # _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 19:32:10)" _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 92.68 _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 92.46 1 1 A THR 2 2 97.12 1 2 A GLU 3 2 91.16 1 3 A GLU 4 2 89.84 1 4 A GLN 5 2 94.46 1 5 A PHE 6 2 97.33 1 6 A SER 7 2 95.19 1 7 A ALA 8 2 95.98 1 8 A LEU 9 2 95.35 1 9 A ALA 10 2 96.04 1 10 A GLU 11 2 89.12 1 11 A LEU 12 2 91.22 1 12 A MET 13 2 89.91 1 13 A ARG 14 2 80.88 1 14 A LEU 15 2 91.86 1 15 A ARG 16 2 73.37 1 16 A GLY 17 2 92.36 1 17 A GLY 18 2 95.70 1 18 A PRO 19 2 97.74 1 19 A GLY 20 2 97.87 1 20 A GLU 21 2 95.07 1 21 A ASP 22 2 95.92 1 22 A ALA 23 2 98.48 1 23 A ALA 24 2 98.24 1 24 A ARG 25 2 92.81 1 25 A LEU 26 2 98.25 1 26 A VAL 27 2 98.27 1 27 A LEU 28 2 97.53 1 28 A VAL 29 2 97.95 1 29 A ASN 30 2 95.66 1 30 A GLY 31 2 98.18 1 31 A LEU 32 2 96.26 1 32 A LYS 33 2 93.72 1 33 A PRO 34 2 98.32 1 34 A THR 35 2 96.86 1 35 A ASP 36 2 97.45 1 36 A ALA 37 2 98.65 1 37 A ALA 38 2 98.62 1 38 A ARG 39 2 87.25 1 39 A LYS 40 2 94.34 1 40 A THR 41 2 98.18 1 41 A GLY 42 2 98.52 1 42 A ILE 43 2 97.60 1 43 A THR 44 2 97.87 1 44 A PRO 45 2 97.84 1 45 A GLN 46 2 89.59 1 46 A ALA 47 2 98.18 1 47 A VAL 48 2 98.10 1 48 A ASN 49 2 95.27 1 49 A LYS 50 2 89.82 1 50 A THR 51 2 96.40 1 51 A LEU 52 2 97.24 1 52 A SER 53 2 95.47 1 53 A SER 54 2 94.35 1 54 A CYS 55 2 96.81 1 55 A ARG 56 2 85.37 1 56 A ARG 57 2 81.58 1 57 A GLY 58 2 95.55 1 58 A ILE 59 2 94.59 1 59 A GLU 60 2 88.57 1 60 A LEU 61 2 92.70 1 61 A ALA 62 2 92.84 1 62 A LYS 63 2 90.62 1 63 A ARG 64 2 85.73 1 64 A VAL 65 2 88.75 1 65 A PHE 66 2 79.33 1 66 A THR 67 2 81.48 1 67 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n THR . 2 A 2 A 3 1 n GLU . 3 A 3 A 4 1 n GLU . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n GLU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n ARG . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ARG . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ARG . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n VAL . 27 A 27 A 28 1 n LEU . 28 A 28 A 29 1 n VAL . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n GLY . 31 A 31 A 32 1 n LEU . 32 A 32 A 33 1 n LYS . 33 A 33 A 34 1 n PRO . 34 A 34 A 35 1 n THR . 35 A 35 A 36 1 n ASP . 36 A 36 A 37 1 n ALA . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n ARG . 39 A 39 A 40 1 n LYS . 40 A 40 A 41 1 n THR . 41 A 41 A 42 1 n GLY . 42 A 42 A 43 1 n ILE . 43 A 43 A 44 1 n THR . 44 A 44 A 45 1 n PRO . 45 A 45 A 46 1 n GLN . 46 A 46 A 47 1 n ALA . 47 A 47 A 48 1 n VAL . 48 A 48 A 49 1 n ASN . 49 A 49 A 50 1 n LYS . 50 A 50 A 51 1 n THR . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n SER . 54 A 54 A 55 1 n CYS . 55 A 55 A 56 1 n ARG . 56 A 56 A 57 1 n ARG . 57 A 57 A 58 1 n GLY . 58 A 58 A 59 1 n ILE . 59 A 59 A 60 1 n GLU . 60 A 60 A 61 1 n LEU . 61 A 61 A 62 1 n ALA . 62 A 62 A 63 1 n LYS . 63 A 63 A 64 1 n ARG . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n PHE . 66 A 66 A 67 1 n THR . 67 A 67 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 0.568 4.816 -8.382 1.00 93.45 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.301 3.758 -9.112 1.00 95.30 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.302 2.917 -9.890 1.00 96.34 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.888 3.028 -9.617 1.00 95.75 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.152 2.901 -8.156 1.00 92.72 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.344 2.109 -7.118 1.00 89.75 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.348 1.101 -5.980 1.00 89.93 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.310 2.369 -5.129 1.00 86.42 1 A 1 ATOM 9 N N . THR A 1 2 ? 0.764 2.117 -10.859 1.00 97.13 2 A 1 ATOM 10 C CA . THR A 1 2 ? -0.117 1.204 -11.595 1.00 97.47 2 A 1 ATOM 11 C C . THR A 1 2 ? -0.393 -0.074 -10.799 1.00 97.72 2 A 1 ATOM 12 O O . THR A 1 2 ? 0.263 -0.343 -9.788 1.00 97.80 2 A 1 ATOM 13 C CB . THR A 1 2 ? 0.421 0.858 -12.996 1.00 97.48 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? 1.450 -0.089 -12.938 1.00 96.56 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? 0.921 2.086 -13.772 1.00 95.69 2 A 1 ATOM 16 N N . GLU A 1 3 ? -1.355 -0.870 -11.262 1.00 97.76 3 A 1 ATOM 17 C CA . GLU A 1 3 ? -1.693 -2.167 -10.670 1.00 97.74 3 A 1 ATOM 18 C C . GLU A 1 3 ? -0.519 -3.155 -10.757 1.00 97.83 3 A 1 ATOM 19 O O . GLU A 1 3 ? -0.199 -3.847 -9.788 1.00 97.65 3 A 1 ATOM 20 C CB . GLU A 1 3 ? -2.942 -2.699 -11.396 1.00 97.14 3 A 1 ATOM 21 C CG . GLU A 1 3 ? -3.515 -3.981 -10.788 1.00 87.50 3 A 1 ATOM 22 C CD . GLU A 1 3 ? -3.953 -3.803 -9.325 1.00 86.37 3 A 1 ATOM 23 O OE1 . GLU A 1 3 ? -3.833 -4.776 -8.562 1.00 78.82 3 A 1 ATOM 24 O OE2 . GLU A 1 3 ? -4.401 -2.705 -8.929 1.00 79.62 3 A 1 ATOM 25 N N . GLU A 1 4 ? 0.196 -3.169 -11.878 1.00 97.81 4 A 1 ATOM 26 C CA . GLU A 1 4 ? 1.364 -4.024 -12.099 1.00 97.69 4 A 1 ATOM 27 C C . GLU A 1 4 ? 2.510 -3.650 -11.154 1.00 97.61 4 A 1 ATOM 28 O O . GLU A 1 4 ? 3.133 -4.512 -10.539 1.00 97.26 4 A 1 ATOM 29 C CB . GLU A 1 4 ? 1.874 -3.920 -13.550 1.00 97.54 4 A 1 ATOM 30 C CG . GLU A 1 4 ? 0.833 -4.238 -14.639 1.00 86.20 4 A 1 ATOM 31 C CD . GLU A 1 4 ? -0.187 -3.112 -14.867 1.00 82.38 4 A 1 ATOM 32 O OE1 . GLU A 1 4 ? -1.235 -3.396 -15.469 1.00 75.05 4 A 1 ATOM 33 O OE2 . GLU A 1 4 ? 0.074 -1.968 -14.404 1.00 76.99 4 A 1 ATOM 34 N N . GLN A 1 5 ? 2.758 -2.346 -10.974 1.00 97.07 5 A 1 ATOM 35 C CA . GLN A 1 5 ? 3.763 -1.855 -10.035 1.00 96.54 5 A 1 ATOM 36 C C . GLN A 1 5 ? 3.423 -2.233 -8.592 1.00 96.74 5 A 1 ATOM 37 O O . GLN A 1 5 ? 4.316 -2.587 -7.818 1.00 96.78 5 A 1 ATOM 38 C CB . GLN A 1 5 ? 3.863 -0.328 -10.140 1.00 95.87 5 A 1 ATOM 39 C CG . GLN A 1 5 ? 4.548 0.145 -11.425 1.00 94.46 5 A 1 ATOM 40 C CD . GLN A 1 5 ? 4.495 1.668 -11.572 1.00 93.74 5 A 1 ATOM 41 O OE1 . GLN A 1 5 ? 3.683 2.369 -10.983 1.00 90.59 5 A 1 ATOM 42 N NE2 . GLN A 1 5 ? 5.374 2.241 -12.363 1.00 88.36 5 A 1 ATOM 43 N N . PHE A 1 6 ? 2.146 -2.152 -8.208 1.00 97.02 6 A 1 ATOM 44 C CA . PHE A 1 6 ? 1.713 -2.554 -6.877 1.00 97.33 6 A 1 ATOM 45 C C . PHE A 1 6 ? 1.855 -4.063 -6.669 1.00 97.40 6 A 1 ATOM 46 O O . PHE A 1 6 ? 2.335 -4.477 -5.619 1.00 97.55 6 A 1 ATOM 47 C CB . PHE A 1 6 ? 0.275 -2.090 -6.620 1.00 97.39 6 A 1 ATOM 48 C CG . PHE A 1 6 ? -0.184 -2.440 -5.218 1.00 97.72 6 A 1 ATOM 49 C CD1 . PHE A 1 6 ? -0.840 -3.658 -4.975 1.00 97.27 6 A 1 ATOM 50 C CD2 . PHE A 1 6 ? 0.138 -1.595 -4.141 1.00 97.46 6 A 1 ATOM 51 C CE1 . PHE A 1 6 ? -1.167 -4.034 -3.659 1.00 97.20 6 A 1 ATOM 52 C CE2 . PHE A 1 6 ? -0.190 -1.970 -2.826 1.00 97.06 6 A 1 ATOM 53 C CZ . PHE A 1 6 ? -0.838 -3.194 -2.587 1.00 97.25 6 A 1 ATOM 54 N N . SER A 1 7 ? 1.503 -4.872 -7.659 1.00 97.55 7 A 1 ATOM 55 C CA . SER A 1 7 ? 1.645 -6.331 -7.596 1.00 97.27 7 A 1 ATOM 56 C C . SER A 1 7 ? 3.111 -6.741 -7.416 1.00 97.07 7 A 1 ATOM 57 O O . SER A 1 7 ? 3.431 -7.482 -6.491 1.00 96.83 7 A 1 ATOM 58 C CB . SER A 1 7 ? 1.036 -6.976 -8.846 1.00 96.99 7 A 1 ATOM 59 O OG . SER A 1 7 ? -0.348 -6.668 -8.902 1.00 85.40 7 A 1 ATOM 60 N N . ALA A 1 8 ? 4.028 -6.144 -8.188 1.00 96.77 8 A 1 ATOM 61 C CA . ALA A 1 8 ? 5.466 -6.365 -8.017 1.00 96.08 8 A 1 ATOM 62 C C . ALA A 1 8 ? 5.976 -5.927 -6.629 1.00 96.02 8 A 1 ATOM 63 O O . ALA A 1 8 ? 6.791 -6.608 -6.004 1.00 95.54 8 A 1 ATOM 64 C CB . ALA A 1 8 ? 6.191 -5.605 -9.138 1.00 95.49 8 A 1 ATOM 65 N N . LEU A 1 9 ? 5.473 -4.803 -6.106 1.00 96.09 9 A 1 ATOM 66 C CA . LEU A 1 9 ? 5.804 -4.352 -4.751 1.00 96.04 9 A 1 ATOM 67 C C . LEU A 1 9 ? 5.279 -5.317 -3.683 1.00 96.20 9 A 1 ATOM 68 O O . LEU A 1 9 ? 5.979 -5.585 -2.708 1.00 96.14 9 A 1 ATOM 69 C CB . LEU A 1 9 ? 5.240 -2.935 -4.545 1.00 95.87 9 A 1 ATOM 70 C CG . LEU A 1 9 ? 5.494 -2.358 -3.139 1.00 95.19 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? 6.981 -2.139 -2.857 1.00 93.55 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? 4.769 -1.017 -3.003 1.00 93.71 9 A 1 ATOM 73 N N . ALA A 1 10 ? 4.061 -5.830 -3.850 1.00 96.51 10 A 1 ATOM 74 C CA . ALA A 1 10 ? 3.465 -6.782 -2.921 1.00 96.29 10 A 1 ATOM 75 C C . ALA A 1 10 ? 4.278 -8.084 -2.862 1.00 95.79 10 A 1 ATOM 76 O O . ALA A 1 10 ? 4.584 -8.559 -1.766 1.00 95.29 10 A 1 ATOM 77 C CB . ALA A 1 10 ? 2.001 -7.019 -3.318 1.00 96.32 10 A 1 ATOM 78 N N . GLU A 1 11 ? 4.719 -8.593 -4.011 1.00 96.60 11 A 1 ATOM 79 C CA . GLU A 1 11 ? 5.612 -9.753 -4.095 1.00 95.87 11 A 1 ATOM 80 C C . GLU A 1 11 ? 6.966 -9.486 -3.427 1.00 95.37 11 A 1 ATOM 81 O O . GLU A 1 11 ? 7.393 -10.252 -2.560 1.00 94.16 11 A 1 ATOM 82 C CB . GLU A 1 11 ? 5.834 -10.142 -5.563 1.00 95.44 11 A 1 ATOM 83 C CG . GLU A 1 11 ? 4.592 -10.784 -6.192 1.00 87.21 11 A 1 ATOM 84 C CD . GLU A 1 11 ? 4.815 -11.187 -7.658 1.00 84.00 11 A 1 ATOM 85 O OE1 . GLU A 1 11 ? 3.812 -11.555 -8.303 1.00 76.80 11 A 1 ATOM 86 O OE2 . GLU A 1 11 ? 5.985 -11.152 -8.118 1.00 76.62 11 A 1 ATOM 87 N N . LEU A 1 12 ? 7.612 -8.361 -3.759 1.00 94.49 12 A 1 ATOM 88 C CA . LEU A 1 12 ? 8.896 -7.957 -3.171 1.00 93.60 12 A 1 ATOM 89 C C . LEU A 1 12 ? 8.825 -7.862 -1.643 1.00 93.32 12 A 1 ATOM 90 O O . LEU A 1 12 ? 9.725 -8.308 -0.929 1.00 92.15 12 A 1 ATOM 91 C CB . LEU A 1 12 ? 9.310 -6.605 -3.785 1.00 93.02 12 A 1 ATOM 92 C CG . LEU A 1 12 ? 10.633 -6.028 -3.230 1.00 89.63 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? 11.833 -6.903 -3.593 1.00 87.04 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? 10.864 -4.627 -3.785 1.00 86.48 12 A 1 ATOM 95 N N . MET A 1 13 ? 7.739 -7.277 -1.135 1.00 94.64 13 A 1 ATOM 96 C CA . MET A 1 13 ? 7.506 -7.085 0.297 1.00 93.83 13 A 1 ATOM 97 C C . MET A 1 13 ? 6.931 -8.322 0.996 1.00 93.56 13 A 1 ATOM 98 O O . MET A 1 13 ? 6.763 -8.297 2.218 1.00 91.44 13 A 1 ATOM 99 C CB . MET A 1 13 ? 6.595 -5.863 0.495 1.00 93.31 13 A 1 ATOM 100 C CG . MET A 1 13 ? 7.273 -4.550 0.079 1.00 90.17 13 A 1 ATOM 101 S SD . MET A 1 13 ? 8.786 -4.104 0.987 1.00 86.04 13 A 1 ATOM 102 C CE . MET A 1 13 ? 8.141 -3.965 2.671 1.00 76.30 13 A 1 ATOM 103 N N . ARG A 1 14 ? 6.638 -9.397 0.255 1.00 93.62 14 A 1 ATOM 104 C CA . ARG A 1 14 ? 5.965 -10.608 0.744 1.00 93.36 14 A 1 ATOM 105 C C . ARG A 1 14 ? 4.686 -10.275 1.527 1.00 93.54 14 A 1 ATOM 106 O O . ARG A 1 14 ? 4.456 -10.801 2.623 1.00 91.37 14 A 1 ATOM 107 C CB . ARG A 1 14 ? 6.935 -11.493 1.541 1.00 92.04 14 A 1 ATOM 108 C CG . ARG A 1 14 ? 8.173 -11.910 0.736 1.00 86.87 14 A 1 ATOM 109 C CD . ARG A 1 14 ? 9.056 -12.797 1.609 1.00 81.73 14 A 1 ATOM 110 N NE . ARG A 1 14 ? 10.241 -13.262 0.873 1.00 73.16 14 A 1 ATOM 111 C CZ . ARG A 1 14 ? 11.220 -14.008 1.360 1.00 66.12 14 A 1 ATOM 112 N NH1 . ARG A 1 14 ? 11.230 -14.403 2.606 1.00 60.21 14 A 1 ATOM 113 N NH2 . ARG A 1 14 ? 12.213 -14.374 0.595 1.00 57.62 14 A 1 ATOM 114 N N . LEU A 1 15 ? 3.876 -9.361 0.980 1.00 93.84 15 A 1 ATOM 115 C CA . LEU A 1 15 ? 2.575 -9.057 1.566 1.00 92.96 15 A 1 ATOM 116 C C . LEU A 1 15 ? 1.720 -10.326 1.520 1.00 91.39 15 A 1 ATOM 117 O O . LEU A 1 15 ? 1.622 -10.987 0.495 1.00 88.67 15 A 1 ATOM 118 C CB . LEU A 1 15 ? 1.904 -7.865 0.863 1.00 93.49 15 A 1 ATOM 119 C CG . LEU A 1 15 ? 2.682 -6.535 0.933 1.00 93.25 15 A 1 ATOM 120 C CD1 . LEU A 1 15 ? 1.889 -5.416 0.255 1.00 90.44 15 A 1 ATOM 121 C CD2 . LEU A 1 15 ? 2.969 -6.090 2.372 1.00 90.84 15 A 1 ATOM 122 N N . ARG A 1 16 ? 1.141 -10.686 2.674 1.00 89.89 16 A 1 ATOM 123 C CA . ARG A 1 16 ? 0.452 -11.979 2.856 1.00 88.75 16 A 1 ATOM 124 C C . ARG A 1 16 ? -0.977 -12.004 2.306 1.00 90.07 16 A 1 ATOM 125 O O . ARG A 1 16 ? -1.729 -12.910 2.647 1.00 86.33 16 A 1 ATOM 126 C CB . ARG A 1 16 ? 0.505 -12.396 4.334 1.00 85.25 16 A 1 ATOM 127 C CG . ARG A 1 16 ? 1.939 -12.636 4.829 1.00 76.76 16 A 1 ATOM 128 C CD . ARG A 1 16 ? 1.903 -13.148 6.272 1.00 70.76 16 A 1 ATOM 129 N NE . ARG A 1 16 ? 3.261 -13.399 6.790 1.00 63.31 16 A 1 ATOM 130 C CZ . ARG A 1 16 ? 3.558 -13.870 7.992 1.00 55.78 16 A 1 ATOM 131 N NH1 . ARG A 1 16 ? 2.638 -14.149 8.872 1.00 51.11 16 A 1 ATOM 132 N NH2 . ARG A 1 16 ? 4.805 -14.068 8.329 1.00 49.06 16 A 1 ATOM 133 N N . GLY A 1 17 ? -1.352 -11.006 1.512 1.00 92.26 17 A 1 ATOM 134 C CA . GLY A 1 17 ? -2.739 -10.750 1.155 1.00 92.46 17 A 1 ATOM 135 C C . GLY A 1 17 ? -3.561 -10.218 2.331 1.00 94.04 17 A 1 ATOM 136 O O . GLY A 1 17 ? -3.060 -9.989 3.439 1.00 90.69 17 A 1 ATOM 137 N N . GLY A 1 18 ? -4.859 -10.042 2.094 1.00 94.42 18 A 1 ATOM 138 C CA . GLY A 1 18 ? -5.818 -9.633 3.114 1.00 95.16 18 A 1 ATOM 139 C C . GLY A 1 18 ? -5.945 -8.117 3.302 1.00 96.87 18 A 1 ATOM 140 O O . GLY A 1 18 ? -5.380 -7.330 2.537 1.00 96.36 18 A 1 ATOM 141 N N . PRO A 1 19 ? -6.686 -7.680 4.346 1.00 97.79 19 A 1 ATOM 142 C CA . PRO A 1 19 ? -7.180 -6.304 4.440 1.00 98.12 19 A 1 ATOM 143 C C . PRO A 1 19 ? -6.099 -5.216 4.428 1.00 98.36 19 A 1 ATOM 144 O O . PRO A 1 19 ? -6.351 -4.088 4.003 1.00 98.23 19 A 1 ATOM 145 C CB . PRO A 1 19 ? -7.969 -6.264 5.752 1.00 97.83 19 A 1 ATOM 146 C CG . PRO A 1 19 ? -8.424 -7.704 5.956 1.00 96.12 19 A 1 ATOM 147 C CD . PRO A 1 19 ? -7.259 -8.506 5.402 1.00 97.73 19 A 1 ATOM 148 N N . GLY A 1 20 ? -4.889 -5.519 4.910 1.00 97.84 20 A 1 ATOM 149 C CA . GLY A 1 20 ? -3.765 -4.580 4.902 1.00 97.76 20 A 1 ATOM 150 C C . GLY A 1 20 ? -3.233 -4.310 3.496 1.00 98.02 20 A 1 ATOM 151 O O . GLY A 1 20 ? -2.972 -3.155 3.149 1.00 97.84 20 A 1 ATOM 152 N N . GLU A 1 21 ? -3.093 -5.362 2.685 1.00 97.88 21 A 1 ATOM 153 C CA . GLU A 1 21 ? -2.692 -5.249 1.281 1.00 97.95 21 A 1 ATOM 154 C C . GLU A 1 21 ? -3.785 -4.555 0.457 1.00 98.12 21 A 1 ATOM 155 O O . GLU A 1 21 ? -3.492 -3.606 -0.269 1.00 98.06 21 A 1 ATOM 156 C CB . GLU A 1 21 ? -2.375 -6.637 0.719 1.00 97.51 21 A 1 ATOM 157 C CG . GLU A 1 21 ? -1.775 -6.529 -0.690 1.00 95.30 21 A 1 ATOM 158 C CD . GLU A 1 21 ? -1.454 -7.893 -1.295 1.00 93.91 21 A 1 ATOM 159 O OE1 . GLU A 1 21 ? -1.782 -8.072 -2.486 1.00 87.94 21 A 1 ATOM 160 O OE2 . GLU A 1 21 ? -0.874 -8.724 -0.563 1.00 89.00 21 A 1 ATOM 161 N N . ASP A 1 22 ? -5.042 -4.951 0.655 1.00 98.25 22 A 1 ATOM 162 C CA . ASP A 1 22 ? -6.185 -4.344 -0.026 1.00 98.36 22 A 1 ATOM 163 C C . ASP A 1 22 ? -6.287 -2.846 0.279 1.00 98.56 22 A 1 ATOM 164 O O . ASP A 1 22 ? -6.461 -2.023 -0.623 1.00 98.53 22 A 1 ATOM 165 C CB . ASP A 1 22 ? -7.478 -5.049 0.403 1.00 98.04 22 A 1 ATOM 166 C CG . ASP A 1 22 ? -7.562 -6.508 -0.045 1.00 94.96 22 A 1 ATOM 167 O OD1 . ASP A 1 22 ? -6.897 -6.853 -1.048 1.00 90.91 22 A 1 ATOM 168 O OD2 . ASP A 1 22 ? -8.308 -7.250 0.630 1.00 89.75 22 A 1 ATOM 169 N N . ALA A 1 23 ? -6.098 -2.447 1.541 1.00 98.34 23 A 1 ATOM 170 C CA . ALA A 1 23 ? -6.073 -1.039 1.925 1.00 98.49 23 A 1 ATOM 171 C C . ALA A 1 23 ? -4.897 -0.285 1.285 1.00 98.55 23 A 1 ATOM 172 O O . ALA A 1 23 ? -5.065 0.849 0.823 1.00 98.53 23 A 1 ATOM 173 C CB . ALA A 1 23 ? -6.021 -0.944 3.453 1.00 98.47 23 A 1 ATOM 174 N N . ALA A 1 24 ? -3.711 -0.898 1.229 1.00 98.40 24 A 1 ATOM 175 C CA . ALA A 1 24 ? -2.559 -0.292 0.568 1.00 98.29 24 A 1 ATOM 176 C C . ALA A 1 24 ? -2.795 -0.124 -0.941 1.00 98.35 24 A 1 ATOM 177 O O . ALA A 1 24 ? -2.473 0.936 -1.483 1.00 98.23 24 A 1 ATOM 178 C CB . ALA A 1 24 ? -1.306 -1.122 0.872 1.00 97.94 24 A 1 ATOM 179 N N . ARG A 1 25 ? -3.418 -1.113 -1.600 1.00 98.55 25 A 1 ATOM 180 C CA . ARG A 1 25 ? -3.826 -1.041 -3.008 1.00 98.60 25 A 1 ATOM 181 C C . ARG A 1 25 ? -4.793 0.113 -3.250 1.00 98.67 25 A 1 ATOM 182 O O . ARG A 1 25 ? -4.549 0.949 -4.115 1.00 98.52 25 A 1 ATOM 183 C CB . ARG A 1 25 ? -4.443 -2.392 -3.421 1.00 98.27 25 A 1 ATOM 184 C CG . ARG A 1 25 ? -4.639 -2.520 -4.935 1.00 97.02 25 A 1 ATOM 185 C CD . ARG A 1 25 ? -5.342 -3.840 -5.309 1.00 95.38 25 A 1 ATOM 186 N NE . ARG A 1 25 ? -4.662 -5.033 -4.773 1.00 90.72 25 A 1 ATOM 187 C CZ . ARG A 1 25 ? -3.634 -5.678 -5.297 1.00 86.98 25 A 1 ATOM 188 N NH1 . ARG A 1 25 ? -3.117 -5.367 -6.441 1.00 78.61 25 A 1 ATOM 189 N NH2 . ARG A 1 25 ? -3.095 -6.683 -4.659 1.00 79.60 25 A 1 ATOM 190 N N . LEU A 1 26 ? -5.838 0.231 -2.418 1.00 98.53 26 A 1 ATOM 191 C CA . LEU A 1 26 ? -6.808 1.327 -2.515 1.00 98.63 26 A 1 ATOM 192 C C . LEU A 1 26 ? -6.148 2.709 -2.406 1.00 98.68 26 A 1 ATOM 193 O O . LEU A 1 26 ? -6.538 3.637 -3.114 1.00 98.61 26 A 1 ATOM 194 C CB . LEU A 1 26 ? -7.874 1.162 -1.418 1.00 98.67 26 A 1 ATOM 195 C CG . LEU A 1 26 ? -8.875 0.012 -1.644 1.00 98.24 26 A 1 ATOM 196 C CD1 . LEU A 1 26 ? -9.764 -0.124 -0.407 1.00 97.25 26 A 1 ATOM 197 C CD2 . LEU A 1 26 ? -9.775 0.256 -2.855 1.00 97.35 26 A 1 ATOM 198 N N . VAL A 1 27 ? -5.136 2.865 -1.548 1.00 98.46 27 A 1 ATOM 199 C CA . VAL A 1 27 ? -4.426 4.145 -1.399 1.00 98.48 27 A 1 ATOM 200 C C . VAL A 1 27 ? -3.427 4.380 -2.535 1.00 98.48 27 A 1 ATOM 201 O O . VAL A 1 27 ? -3.413 5.454 -3.131 1.00 98.27 27 A 1 ATOM 202 C CB . VAL A 1 27 ? -3.735 4.235 -0.026 1.00 98.49 27 A 1 ATOM 203 C CG1 . VAL A 1 27 ? -2.927 5.531 0.120 1.00 97.81 27 A 1 ATOM 204 C CG2 . VAL A 1 27 ? -4.761 4.209 1.109 1.00 97.89 27 A 1 ATOM 205 N N . LEU A 1 28 ? -2.575 3.397 -2.840 1.00 98.32 28 A 1 ATOM 206 C CA . LEU A 1 28 ? -1.428 3.581 -3.739 1.00 98.17 28 A 1 ATOM 207 C C . LEU A 1 28 ? -1.801 3.497 -5.224 1.00 98.23 28 A 1 ATOM 208 O O . LEU A 1 28 ? -1.166 4.164 -6.041 1.00 97.85 28 A 1 ATOM 209 C CB . LEU A 1 28 ? -0.336 2.556 -3.388 1.00 97.97 28 A 1 ATOM 210 C CG . LEU A 1 28 ? 0.299 2.720 -1.996 1.00 97.36 28 A 1 ATOM 211 C CD1 . LEU A 1 28 ? 1.287 1.580 -1.746 1.00 96.31 28 A 1 ATOM 212 C CD2 . LEU A 1 28 ? 1.054 4.044 -1.851 1.00 96.07 28 A 1 ATOM 213 N N . VAL A 1 29 ? -2.816 2.694 -5.563 1.00 98.26 29 A 1 ATOM 214 C CA . VAL A 1 29 ? -3.300 2.504 -6.937 1.00 98.30 29 A 1 ATOM 215 C C . VAL A 1 29 ? -4.524 3.373 -7.201 1.00 98.34 29 A 1 ATOM 216 O O . VAL A 1 29 ? -4.522 4.151 -8.151 1.00 97.92 29 A 1 ATOM 217 C CB . VAL A 1 29 ? -3.597 1.020 -7.241 1.00 98.19 29 A 1 ATOM 218 C CG1 . VAL A 1 29 ? -4.043 0.824 -8.691 1.00 97.21 29 A 1 ATOM 219 C CG2 . VAL A 1 29 ? -2.369 0.142 -6.987 1.00 97.43 29 A 1 ATOM 220 N N . ASN A 1 30 ? -5.535 3.305 -6.329 1.00 98.28 30 A 1 ATOM 221 C CA . ASN A 1 30 ? -6.807 3.995 -6.571 1.00 98.21 30 A 1 ATOM 222 C C . ASN A 1 30 ? -6.846 5.432 -6.016 1.00 98.35 30 A 1 ATOM 223 O O . ASN A 1 30 ? -7.829 6.140 -6.235 1.00 97.76 30 A 1 ATOM 224 C CB . ASN A 1 30 ? -7.975 3.147 -6.043 1.00 97.99 30 A 1 ATOM 225 C CG . ASN A 1 30 ? -7.962 1.720 -6.557 1.00 96.62 30 A 1 ATOM 226 O OD1 . ASN A 1 30 ? -7.644 0.793 -5.836 1.00 89.96 30 A 1 ATOM 227 N ND2 . ASN A 1 30 ? -8.301 1.500 -7.803 1.00 88.08 30 A 1 ATOM 228 N N . GLY A 1 31 ? -5.821 5.874 -5.276 1.00 98.31 31 A 1 ATOM 229 C CA . GLY A 1 31 ? -5.719 7.248 -4.768 1.00 98.19 31 A 1 ATOM 230 C C . GLY A 1 31 ? -6.651 7.583 -3.597 1.00 98.41 31 A 1 ATOM 231 O O . GLY A 1 31 ? -6.858 8.758 -3.295 1.00 97.80 31 A 1 ATOM 232 N N . LEU A 1 32 ? -7.221 6.577 -2.916 1.00 98.53 32 A 1 ATOM 233 C CA . LEU A 1 32 ? -8.085 6.813 -1.756 1.00 98.57 32 A 1 ATOM 234 C C . LEU A 1 32 ? -7.290 7.362 -0.568 1.00 98.65 32 A 1 ATOM 235 O O . LEU A 1 32 ? -6.109 7.079 -0.380 1.00 98.49 32 A 1 ATOM 236 C CB . LEU A 1 32 ? -8.839 5.534 -1.352 1.00 98.38 32 A 1 ATOM 237 C CG . LEU A 1 32 ? -10.194 5.356 -2.062 1.00 95.43 32 A 1 ATOM 238 C CD1 . LEU A 1 32 ? -10.049 5.084 -3.560 1.00 90.31 32 A 1 ATOM 239 C CD2 . LEU A 1 32 ? -10.953 4.194 -1.434 1.00 91.75 32 A 1 ATOM 240 N N . LYS A 1 33 ? -7.970 8.116 0.301 1.00 98.47 33 A 1 ATOM 241 C CA . LYS A 1 33 ? -7.404 8.494 1.601 1.00 98.46 33 A 1 ATOM 242 C C . LYS A 1 33 ? -7.240 7.250 2.488 1.00 98.65 33 A 1 ATOM 243 O O . LYS A 1 33 ? -8.115 6.382 2.476 1.00 98.58 33 A 1 ATOM 244 C CB . LYS A 1 33 ? -8.284 9.547 2.290 1.00 98.18 33 A 1 ATOM 245 C CG . LYS A 1 33 ? -8.314 10.873 1.515 1.00 95.47 33 A 1 ATOM 246 C CD . LYS A 1 33 ? -9.206 11.897 2.229 1.00 92.05 33 A 1 ATOM 247 C CE . LYS A 1 33 ? -9.240 13.193 1.416 1.00 86.32 33 A 1 ATOM 248 N NZ . LYS A 1 33 ? -10.163 14.193 2.005 1.00 77.32 33 A 1 ATOM 249 N N . PRO A 1 34 ? -6.190 7.180 3.336 1.00 98.45 34 A 1 ATOM 250 C CA . PRO A 1 34 ? -5.993 6.053 4.255 1.00 98.49 34 A 1 ATOM 251 C C . PRO A 1 34 ? -7.200 5.756 5.158 1.00 98.67 34 A 1 ATOM 252 O O . PRO A 1 34 ? -7.492 4.599 5.442 1.00 98.64 34 A 1 ATOM 253 C CB . PRO A 1 34 ? -4.765 6.429 5.088 1.00 98.21 34 A 1 ATOM 254 C CG . PRO A 1 34 ? -3.962 7.322 4.143 1.00 97.55 34 A 1 ATOM 255 C CD . PRO A 1 34 ? -5.046 8.082 3.382 1.00 98.20 34 A 1 ATOM 256 N N . THR A 1 35 ? -7.930 6.796 5.586 1.00 98.53 35 A 1 ATOM 257 C CA . THR A 1 35 ? -9.146 6.650 6.399 1.00 98.54 35 A 1 ATOM 258 C C . THR A 1 35 ? -10.285 5.965 5.643 1.00 98.70 35 A 1 ATOM 259 O O . THR A 1 35 ? -11.009 5.159 6.223 1.00 98.59 35 A 1 ATOM 260 C CB . THR A 1 35 ? -9.639 8.023 6.880 1.00 98.11 35 A 1 ATOM 261 O OG1 . THR A 1 35 ? -9.690 8.936 5.802 1.00 93.24 35 A 1 ATOM 262 C CG2 . THR A 1 35 ? -8.689 8.615 7.926 1.00 92.29 35 A 1 ATOM 263 N N . ASP A 1 36 ? -10.428 6.248 4.351 1.00 98.63 36 A 1 ATOM 264 C CA . ASP A 1 36 ? -11.477 5.652 3.522 1.00 98.70 36 A 1 ATOM 265 C C . ASP A 1 36 ? -11.114 4.215 3.129 1.00 98.82 36 A 1 ATOM 266 O O . ASP A 1 36 ? -11.970 3.331 3.160 1.00 98.74 36 A 1 ATOM 267 C CB . ASP A 1 36 ? -11.740 6.530 2.293 1.00 98.54 36 A 1 ATOM 268 C CG . ASP A 1 36 ? -12.223 7.931 2.674 1.00 97.46 36 A 1 ATOM 269 O OD1 . ASP A 1 36 ? -12.927 8.057 3.710 1.00 94.46 36 A 1 ATOM 270 O OD2 . ASP A 1 36 ? -11.829 8.879 1.961 1.00 94.26 36 A 1 ATOM 271 N N . ALA A 1 37 ? -9.830 3.956 2.864 1.00 98.54 37 A 1 ATOM 272 C CA . ALA A 1 37 ? -9.320 2.604 2.673 1.00 98.64 37 A 1 ATOM 273 C C . ALA A 1 37 ? -9.540 1.740 3.928 1.00 98.71 37 A 1 ATOM 274 O O . ALA A 1 37 ? -10.057 0.634 3.818 1.00 98.70 37 A 1 ATOM 275 C CB . ALA A 1 37 ? -7.844 2.690 2.282 1.00 98.65 37 A 1 ATOM 276 N N . ALA A 1 38 ? -9.252 2.276 5.122 1.00 98.69 38 A 1 ATOM 277 C CA . ALA A 1 38 ? -9.497 1.600 6.397 1.00 98.68 38 A 1 ATOM 278 C C . ALA A 1 38 ? -10.972 1.200 6.573 1.00 98.67 38 A 1 ATOM 279 O O . ALA A 1 38 ? -11.268 0.057 6.913 1.00 98.54 38 A 1 ATOM 280 C CB . ALA A 1 38 ? -9.044 2.532 7.532 1.00 98.53 38 A 1 ATOM 281 N N . ARG A 1 39 ? -11.900 2.119 6.278 1.00 98.74 39 A 1 ATOM 282 C CA . ARG A 1 39 ? -13.346 1.839 6.335 1.00 98.65 39 A 1 ATOM 283 C C . ARG A 1 39 ? -13.762 0.742 5.357 1.00 98.67 39 A 1 ATOM 284 O O . ARG A 1 39 ? -14.546 -0.121 5.724 1.00 98.27 39 A 1 ATOM 285 C CB . ARG A 1 39 ? -14.143 3.111 6.028 1.00 98.22 39 A 1 ATOM 286 C CG . ARG A 1 39 ? -14.083 4.143 7.159 1.00 90.69 39 A 1 ATOM 287 C CD . ARG A 1 39 ? -14.739 5.428 6.659 1.00 89.34 39 A 1 ATOM 288 N NE . ARG A 1 39 ? -14.691 6.504 7.662 1.00 80.48 39 A 1 ATOM 289 C CZ . ARG A 1 39 ? -14.700 7.793 7.402 1.00 75.05 39 A 1 ATOM 290 N NH1 . ARG A 1 39 ? -14.693 8.263 6.176 1.00 65.92 39 A 1 ATOM 291 N NH2 . ARG A 1 39 ? -14.723 8.654 8.382 1.00 65.69 39 A 1 ATOM 292 N N . LYS A 1 40 ? -13.242 0.775 4.133 1.00 98.69 40 A 1 ATOM 293 C CA . LYS A 1 40 ? -13.582 -0.209 3.095 1.00 98.64 40 A 1 ATOM 294 C C . LYS A 1 40 ? -13.066 -1.612 3.406 1.00 98.68 40 A 1 ATOM 295 O O . LYS A 1 40 ? -13.723 -2.580 3.048 1.00 98.38 40 A 1 ATOM 296 C CB . LYS A 1 40 ? -13.038 0.257 1.738 1.00 98.43 40 A 1 ATOM 297 C CG . LYS A 1 40 ? -13.910 1.347 1.108 1.00 96.40 40 A 1 ATOM 298 C CD . LYS A 1 40 ? -13.283 1.826 -0.206 1.00 93.58 40 A 1 ATOM 299 C CE . LYS A 1 40 ? -14.181 2.821 -0.949 1.00 88.17 40 A 1 ATOM 300 N NZ . LYS A 1 40 ? -15.306 2.151 -1.651 1.00 78.13 40 A 1 ATOM 301 N N . THR A 1 41 ? -11.909 -1.722 4.048 1.00 98.73 41 A 1 ATOM 302 C CA . THR A 1 41 ? -11.267 -3.014 4.344 1.00 98.71 41 A 1 ATOM 303 C C . THR A 1 41 ? -11.521 -3.504 5.769 1.00 98.68 41 A 1 ATOM 304 O O . THR A 1 41 ? -11.092 -4.598 6.127 1.00 98.32 41 A 1 ATOM 305 C CB . THR A 1 41 ? -9.764 -2.952 4.061 1.00 98.59 41 A 1 ATOM 306 O OG1 . THR A 1 41 ? -9.170 -1.935 4.836 1.00 97.47 41 A 1 ATOM 307 C CG2 . THR A 1 41 ? -9.481 -2.649 2.589 1.00 96.76 41 A 1 ATOM 308 N N . GLY A 1 42 ? -12.207 -2.715 6.608 1.00 98.69 42 A 1 ATOM 309 C CA . GLY A 1 42 ? -12.562 -3.102 7.977 1.00 98.62 42 A 1 ATOM 310 C C . GLY A 1 42 ? -11.391 -3.123 8.966 1.00 98.68 42 A 1 ATOM 311 O O . GLY A 1 42 ? -11.490 -3.756 10.015 1.00 98.09 42 A 1 ATOM 312 N N . ILE A 1 43 ? -10.281 -2.436 8.661 1.00 98.66 43 A 1 ATOM 313 C CA . ILE A 1 43 ? -9.124 -2.322 9.566 1.00 98.62 43 A 1 ATOM 314 C C . ILE A 1 43 ? -8.974 -0.898 10.109 1.00 98.70 43 A 1 ATOM 315 O O . ILE A 1 43 ? -9.617 0.042 9.653 1.00 98.50 43 A 1 ATOM 316 C CB . ILE A 1 43 ? -7.821 -2.840 8.919 1.00 98.32 43 A 1 ATOM 317 C CG1 . ILE A 1 43 ? -7.377 -1.980 7.716 1.00 96.79 43 A 1 ATOM 318 C CG2 . ILE A 1 43 ? -7.974 -4.319 8.550 1.00 95.81 43 A 1 ATOM 319 C CD1 . ILE A 1 43 ? -6.008 -2.376 7.150 1.00 95.40 43 A 1 ATOM 320 N N . THR A 1 44 ? -8.094 -0.710 11.089 1.00 98.64 44 A 1 ATOM 321 C CA . THR A 1 44 ? -7.850 0.615 11.669 1.00 98.58 44 A 1 ATOM 322 C C . THR A 1 44 ? -6.997 1.493 10.741 1.00 98.60 44 A 1 ATOM 323 O O . THR A 1 44 ? -6.103 0.986 10.055 1.00 98.44 44 A 1 ATOM 324 C CB . THR A 1 44 ? -7.208 0.536 13.063 1.00 98.30 44 A 1 ATOM 325 O OG1 . THR A 1 44 ? -5.903 0.014 12.989 1.00 96.63 44 A 1 ATOM 326 C CG2 . THR A 1 44 ? -8.002 -0.336 14.035 1.00 95.87 44 A 1 ATOM 327 N N . PRO A 1 45 ? -7.168 2.833 10.758 1.00 98.26 45 A 1 ATOM 328 C CA . PRO A 1 45 ? -6.284 3.749 10.029 1.00 98.10 45 A 1 ATOM 329 C C . PRO A 1 45 ? -4.798 3.580 10.378 1.00 98.20 45 A 1 ATOM 330 O O . PRO A 1 45 ? -3.934 3.739 9.515 1.00 98.01 45 A 1 ATOM 331 C CB . PRO A 1 45 ? -6.778 5.153 10.391 1.00 97.72 45 A 1 ATOM 332 C CG . PRO A 1 45 ? -8.252 4.945 10.726 1.00 96.71 45 A 1 ATOM 333 C CD . PRO A 1 45 ? -8.265 3.565 11.382 1.00 97.85 45 A 1 ATOM 334 N N . GLN A 1 46 ? -4.485 3.211 11.624 1.00 98.39 46 A 1 ATOM 335 C CA . GLN A 1 46 ? -3.118 2.918 12.059 1.00 98.31 46 A 1 ATOM 336 C C . GLN A 1 46 ? -2.550 1.689 11.343 1.00 98.39 46 A 1 ATOM 337 O O . GLN A 1 46 ? -1.387 1.707 10.926 1.00 98.02 46 A 1 ATOM 338 C CB . GLN A 1 46 ? -3.048 2.694 13.578 1.00 97.89 46 A 1 ATOM 339 C CG . GLN A 1 46 ? -3.421 3.914 14.442 1.00 87.90 46 A 1 ATOM 340 C CD . GLN A 1 46 ? -4.919 4.087 14.683 1.00 81.74 46 A 1 ATOM 341 O OE1 . GLN A 1 46 ? -5.766 3.428 14.102 1.00 74.89 46 A 1 ATOM 342 N NE2 . GLN A 1 46 ? -5.306 4.987 15.557 1.00 70.75 46 A 1 ATOM 343 N N . ALA A 1 47 ? -3.352 0.638 11.167 1.00 98.30 47 A 1 ATOM 344 C CA . ALA A 1 47 ? -2.942 -0.553 10.431 1.00 98.22 47 A 1 ATOM 345 C C . ALA A 1 47 ? -2.663 -0.229 8.954 1.00 98.30 47 A 1 ATOM 346 O O . ALA A 1 47 ? -1.619 -0.625 8.431 1.00 98.05 47 A 1 ATOM 347 C CB . ALA A 1 47 ? -4.009 -1.643 10.600 1.00 98.02 47 A 1 ATOM 348 N N . VAL A 1 48 ? -3.524 0.580 8.309 1.00 98.03 48 A 1 ATOM 349 C CA . VAL A 1 48 ? -3.289 1.067 6.937 1.00 98.21 48 A 1 ATOM 350 C C . VAL A 1 48 ? -1.971 1.838 6.857 1.00 98.20 48 A 1 ATOM 351 O O . VAL A 1 48 ? -1.115 1.520 6.033 1.00 98.16 48 A 1 ATOM 352 C CB . VAL A 1 48 ? -4.446 1.958 6.436 1.00 98.34 48 A 1 ATOM 353 C CG1 . VAL A 1 48 ? -4.207 2.420 4.993 1.00 97.86 48 A 1 ATOM 354 C CG2 . VAL A 1 48 ? -5.785 1.222 6.473 1.00 97.87 48 A 1 ATOM 355 N N . ASN A 1 49 ? -1.756 2.811 7.747 1.00 98.42 49 A 1 ATOM 356 C CA . ASN A 1 49 ? -0.542 3.626 7.762 1.00 98.28 49 A 1 ATOM 357 C C . ASN A 1 49 ? 0.728 2.804 8.008 1.00 98.10 49 A 1 ATOM 358 O O . ASN A 1 49 ? 1.779 3.110 7.432 1.00 97.78 49 A 1 ATOM 359 C CB . ASN A 1 49 ? -0.697 4.730 8.817 1.00 98.03 49 A 1 ATOM 360 C CG . ASN A 1 49 ? -1.589 5.862 8.341 1.00 95.45 49 A 1 ATOM 361 O OD1 . ASN A 1 49 ? -1.626 6.208 7.173 1.00 88.16 49 A 1 ATOM 362 N ND2 . ASN A 1 49 ? -2.305 6.499 9.237 1.00 87.97 49 A 1 ATOM 363 N N . LYS A 1 50 ? 0.648 1.748 8.826 1.00 97.77 50 A 1 ATOM 364 C CA . LYS A 1 50 ? 1.751 0.802 9.034 1.00 97.32 50 A 1 ATOM 365 C C . LYS A 1 50 ? 2.117 0.104 7.723 1.00 97.33 50 A 1 ATOM 366 O O . LYS A 1 50 ? 3.282 0.154 7.327 1.00 96.92 50 A 1 ATOM 367 C CB . LYS A 1 50 ? 1.377 -0.183 10.151 1.00 96.90 50 A 1 ATOM 368 C CG . LYS A 1 50 ? 2.543 -1.120 10.499 1.00 89.82 50 A 1 ATOM 369 C CD . LYS A 1 50 ? 2.147 -2.081 11.631 1.00 85.57 50 A 1 ATOM 370 C CE . LYS A 1 50 ? 3.313 -3.025 11.945 1.00 77.35 50 A 1 ATOM 371 N NZ . LYS A 1 50 ? 2.973 -3.984 13.030 1.00 69.41 50 A 1 ATOM 372 N N . THR A 1 51 ? 1.135 -0.465 7.014 1.00 97.36 51 A 1 ATOM 373 C CA . THR A 1 51 ? 1.369 -1.132 5.722 1.00 97.23 51 A 1 ATOM 374 C C . THR A 1 51 ? 1.926 -0.158 4.680 1.00 97.27 51 A 1 ATOM 375 O O . THR A 1 51 ? 2.941 -0.449 4.050 1.00 96.95 51 A 1 ATOM 376 C CB . THR A 1 51 ? 0.085 -1.795 5.199 1.00 96.95 51 A 1 ATOM 377 O OG1 . THR A 1 51 ? -0.424 -2.670 6.173 1.00 94.48 51 A 1 ATOM 378 C CG2 . THR A 1 51 ? 0.343 -2.643 3.952 1.00 94.59 51 A 1 ATOM 379 N N . LEU A 1 52 ? 1.351 1.048 4.558 1.00 97.41 52 A 1 ATOM 380 C CA . LEU A 1 52 ? 1.844 2.083 3.640 1.00 97.48 52 A 1 ATOM 381 C C . LEU A 1 52 ? 3.287 2.502 3.942 1.00 97.29 52 A 1 ATOM 382 O O . LEU A 1 52 ? 4.068 2.760 3.023 1.00 97.22 52 A 1 ATOM 383 C CB . LEU A 1 52 ? 0.938 3.320 3.732 1.00 97.73 52 A 1 ATOM 384 C CG . LEU A 1 52 ? -0.482 3.131 3.176 1.00 97.39 52 A 1 ATOM 385 C CD1 . LEU A 1 52 ? -1.291 4.391 3.485 1.00 96.60 52 A 1 ATOM 386 C CD2 . LEU A 1 52 ? -0.481 2.903 1.668 1.00 96.83 52 A 1 ATOM 387 N N . SER A 1 53 ? 3.664 2.573 5.229 1.00 97.68 53 A 1 ATOM 388 C CA . SER A 1 53 ? 5.033 2.908 5.631 1.00 97.54 53 A 1 ATOM 389 C C . SER A 1 53 ? 6.020 1.806 5.246 1.00 97.21 53 A 1 ATOM 390 O O . SER A 1 53 ? 7.107 2.107 4.751 1.00 96.63 53 A 1 ATOM 391 C CB . SER A 1 53 ? 5.102 3.204 7.130 1.00 97.41 53 A 1 ATOM 392 O OG . SER A 1 53 ? 4.263 4.307 7.419 1.00 86.37 53 A 1 ATOM 393 N N . SER A 1 54 ? 5.617 0.536 5.390 1.00 96.88 54 A 1 ATOM 394 C CA . SER A 1 54 ? 6.397 -0.600 4.894 1.00 96.26 54 A 1 ATOM 395 C C . SER A 1 54 ? 6.563 -0.553 3.373 1.00 96.46 54 A 1 ATOM 396 O O . SER A 1 54 ? 7.691 -0.661 2.893 1.00 95.78 54 A 1 ATOM 397 C CB . SER A 1 54 ? 5.754 -1.925 5.317 1.00 95.08 54 A 1 ATOM 398 O OG . SER A 1 54 ? 5.745 -2.039 6.728 1.00 85.62 54 A 1 ATOM 399 N N . CYS A 1 55 ? 5.484 -0.291 2.622 1.00 96.88 55 A 1 ATOM 400 C CA . CYS A 1 55 ? 5.543 -0.159 1.164 1.00 96.91 55 A 1 ATOM 401 C C . CYS A 1 55 ? 6.499 0.960 0.724 1.00 96.90 55 A 1 ATOM 402 O O . CYS A 1 55 ? 7.371 0.728 -0.107 1.00 96.69 55 A 1 ATOM 403 C CB . CYS A 1 55 ? 4.133 0.094 0.607 1.00 97.02 55 A 1 ATOM 404 S SG . CYS A 1 55 ? 3.066 -1.349 0.871 1.00 96.46 55 A 1 ATOM 405 N N . ARG A 1 56 ? 6.401 2.154 1.329 1.00 96.43 56 A 1 ATOM 406 C CA . ARG A 1 56 ? 7.319 3.270 1.033 1.00 96.19 56 A 1 ATOM 407 C C . ARG A 1 56 ? 8.774 2.896 1.292 1.00 96.25 56 A 1 ATOM 408 O O . ARG A 1 56 ? 9.627 3.147 0.446 1.00 96.03 56 A 1 ATOM 409 C CB . ARG A 1 56 ? 6.939 4.511 1.853 1.00 95.96 56 A 1 ATOM 410 C CG . ARG A 1 56 ? 5.713 5.229 1.274 1.00 89.37 56 A 1 ATOM 411 C CD . ARG A 1 56 ? 5.435 6.537 2.028 1.00 86.38 56 A 1 ATOM 412 N NE . ARG A 1 56 ? 4.935 6.301 3.402 1.00 78.93 56 A 1 ATOM 413 C CZ . ARG A 1 56 ? 3.678 6.321 3.798 1.00 72.71 56 A 1 ATOM 414 N NH1 . ARG A 1 56 ? 2.691 6.556 2.972 1.00 66.58 56 A 1 ATOM 415 N NH2 . ARG A 1 56 ? 3.372 6.110 5.052 1.00 64.22 56 A 1 ATOM 416 N N . ARG A 1 57 ? 9.055 2.250 2.435 1.00 96.53 57 A 1 ATOM 417 C CA . ARG A 1 57 ? 10.407 1.781 2.750 1.00 96.18 57 A 1 ATOM 418 C C . ARG A 1 57 ? 10.910 0.764 1.724 1.00 96.27 57 A 1 ATOM 419 O O . ARG A 1 57 ? 12.059 0.864 1.305 1.00 95.51 57 A 1 ATOM 420 C CB . ARG A 1 57 ? 10.431 1.225 4.180 1.00 95.49 57 A 1 ATOM 421 C CG . ARG A 1 57 ? 11.853 0.842 4.606 1.00 82.50 57 A 1 ATOM 422 C CD . ARG A 1 57 ? 11.863 0.351 6.053 1.00 80.57 57 A 1 ATOM 423 N NE . ARG A 1 57 ? 13.226 -0.028 6.471 1.00 72.22 57 A 1 ATOM 424 C CZ . ARG A 1 57 ? 13.580 -0.468 7.665 1.00 65.76 57 A 1 ATOM 425 N NH1 . ARG A 1 57 ? 12.716 -0.618 8.627 1.00 59.78 57 A 1 ATOM 426 N NH2 . ARG A 1 57 ? 14.824 -0.769 7.913 1.00 56.58 57 A 1 ATOM 427 N N . GLY A 1 58 ? 10.066 -0.173 1.305 1.00 96.08 58 A 1 ATOM 428 C CA . GLY A 1 58 ? 10.401 -1.154 0.270 1.00 95.53 58 A 1 ATOM 429 C C . GLY A 1 58 ? 10.755 -0.501 -1.066 1.00 95.68 58 A 1 ATOM 430 O O . GLY A 1 58 ? 11.778 -0.840 -1.652 1.00 94.91 58 A 1 ATOM 431 N N . ILE A 1 59 ? 9.974 0.495 -1.498 1.00 95.45 59 A 1 ATOM 432 C CA . ILE A 1 59 ? 10.245 1.275 -2.718 1.00 95.44 59 A 1 ATOM 433 C C . ILE A 1 59 ? 11.598 1.988 -2.623 1.00 95.37 59 A 1 ATOM 434 O O . ILE A 1 59 ? 12.400 1.912 -3.554 1.00 94.89 59 A 1 ATOM 435 C CB . ILE A 1 59 ? 9.096 2.279 -2.980 1.00 95.36 59 A 1 ATOM 436 C CG1 . ILE A 1 59 ? 7.793 1.533 -3.347 1.00 94.47 59 A 1 ATOM 437 C CG2 . ILE A 1 59 ? 9.455 3.271 -4.103 1.00 94.12 59 A 1 ATOM 438 C CD1 . ILE A 1 59 ? 6.533 2.398 -3.216 1.00 91.64 59 A 1 ATOM 439 N N . GLU A 1 60 ? 11.878 2.662 -1.507 1.00 96.12 60 A 1 ATOM 440 C CA . GLU A 1 60 ? 13.142 3.386 -1.328 1.00 96.08 60 A 1 ATOM 441 C C . GLU A 1 60 ? 14.357 2.449 -1.306 1.00 96.04 60 A 1 ATOM 442 O O . GLU A 1 60 ? 15.403 2.779 -1.873 1.00 95.57 60 A 1 ATOM 443 C CB . GLU A 1 60 ? 13.090 4.233 -0.046 1.00 96.02 60 A 1 ATOM 444 C CG . GLU A 1 60 ? 12.113 5.423 -0.146 1.00 89.36 60 A 1 ATOM 445 C CD . GLU A 1 60 ? 12.416 6.317 -1.352 1.00 81.94 60 A 1 ATOM 446 O OE1 . GLU A 1 60 ? 11.521 6.497 -2.222 1.00 72.70 60 A 1 ATOM 447 O OE2 . GLU A 1 60 ? 13.574 6.761 -1.465 1.00 73.33 60 A 1 ATOM 448 N N . LEU A 1 61 ? 14.229 1.268 -0.703 1.00 95.12 61 A 1 ATOM 449 C CA . LEU A 1 61 ? 15.285 0.257 -0.741 1.00 94.67 61 A 1 ATOM 450 C C . LEU A 1 61 ? 15.493 -0.284 -2.157 1.00 94.24 61 A 1 ATOM 451 O O . LEU A 1 61 ? 16.635 -0.361 -2.601 1.00 93.50 61 A 1 ATOM 452 C CB . LEU A 1 61 ? 14.962 -0.878 0.242 1.00 94.51 61 A 1 ATOM 453 C CG . LEU A 1 61 ? 15.097 -0.494 1.728 1.00 91.60 61 A 1 ATOM 454 C CD1 . LEU A 1 61 ? 14.578 -1.641 2.597 1.00 89.07 61 A 1 ATOM 455 C CD2 . LEU A 1 61 ? 16.543 -0.205 2.131 1.00 88.90 61 A 1 ATOM 456 N N . ALA A 1 62 ? 14.413 -0.589 -2.882 1.00 93.84 62 A 1 ATOM 457 C CA . ALA A 1 62 ? 14.494 -1.074 -4.257 1.00 92.88 62 A 1 ATOM 458 C C . ALA A 1 62 ? 15.183 -0.056 -5.181 1.00 93.22 62 A 1 ATOM 459 O O . ALA A 1 62 ? 16.063 -0.434 -5.948 1.00 92.19 62 A 1 ATOM 460 C CB . ALA A 1 62 ? 13.082 -1.425 -4.742 1.00 92.06 62 A 1 ATOM 461 N N . LYS A 1 63 ? 14.865 1.240 -5.064 1.00 93.08 63 A 1 ATOM 462 C CA . LYS A 1 63 ? 15.530 2.305 -5.837 1.00 93.62 63 A 1 ATOM 463 C C . LYS A 1 63 ? 17.046 2.321 -5.632 1.00 94.64 63 A 1 ATOM 464 O O . LYS A 1 63 ? 17.780 2.497 -6.595 1.00 94.14 63 A 1 ATOM 465 C CB . LYS A 1 63 ? 14.964 3.672 -5.443 1.00 93.31 63 A 1 ATOM 466 C CG . LYS A 1 63 ? 13.559 3.940 -5.999 1.00 91.77 63 A 1 ATOM 467 C CD . LYS A 1 63 ? 13.072 5.256 -5.386 1.00 89.29 63 A 1 ATOM 468 C CE . LYS A 1 63 ? 11.646 5.601 -5.789 1.00 85.92 63 A 1 ATOM 469 N NZ . LYS A 1 63 ? 11.180 6.754 -4.974 1.00 79.81 63 A 1 ATOM 470 N N . ARG A 1 64 ? 17.518 2.117 -4.390 1.00 95.08 64 A 1 ATOM 471 C CA . ARG A 1 64 ? 18.955 2.126 -4.065 1.00 95.56 64 A 1 ATOM 472 C C . ARG A 1 64 ? 19.737 0.977 -4.697 1.00 95.60 64 A 1 ATOM 473 O O . ARG A 1 64 ? 20.944 1.104 -4.835 1.00 93.46 64 A 1 ATOM 474 C CB . ARG A 1 64 ? 19.151 2.096 -2.545 1.00 95.49 64 A 1 ATOM 475 C CG . ARG A 1 64 ? 18.737 3.410 -1.883 1.00 90.88 64 A 1 ATOM 476 C CD . ARG A 1 64 ? 18.861 3.253 -0.370 1.00 87.09 64 A 1 ATOM 477 N NE . ARG A 1 64 ? 18.386 4.455 0.332 1.00 79.74 64 A 1 ATOM 478 C CZ . ARG A 1 64 ? 18.628 4.766 1.591 1.00 74.07 64 A 1 ATOM 479 N NH1 . ARG A 1 64 ? 19.355 4.003 2.363 1.00 69.61 64 A 1 ATOM 480 N NH2 . ARG A 1 64 ? 18.133 5.861 2.095 1.00 66.44 64 A 1 ATOM 481 N N . VAL A 1 65 ? 19.082 -0.123 -5.065 1.00 92.43 65 A 1 ATOM 482 C CA . VAL A 1 65 ? 19.746 -1.258 -5.735 1.00 90.97 65 A 1 ATOM 483 C C . VAL A 1 65 ? 20.196 -0.886 -7.153 1.00 89.93 65 A 1 ATOM 484 O O . VAL A 1 65 ? 21.168 -1.446 -7.656 1.00 86.87 65 A 1 ATOM 485 C CB . VAL A 1 65 ? 18.817 -2.492 -5.754 1.00 90.13 65 A 1 ATOM 486 C CG1 . VAL A 1 65 ? 19.404 -3.696 -6.493 1.00 85.52 65 A 1 ATOM 487 C CG2 . VAL A 1 65 ? 18.511 -2.965 -4.321 1.00 85.41 65 A 1 ATOM 488 N N . PHE A 1 66 ? 19.514 0.067 -7.790 1.00 87.21 66 A 1 ATOM 489 C CA . PHE A 1 66 ? 19.744 0.459 -9.183 1.00 86.01 66 A 1 ATOM 490 C C . PHE A 1 66 ? 20.431 1.830 -9.324 1.00 84.67 66 A 1 ATOM 491 O O . PHE A 1 66 ? 20.413 2.412 -10.410 1.00 79.79 66 A 1 ATOM 492 C CB . PHE A 1 66 ? 18.411 0.409 -9.936 1.00 83.43 66 A 1 ATOM 493 C CG . PHE A 1 66 ? 17.726 -0.945 -9.905 1.00 79.90 66 A 1 ATOM 494 C CD1 . PHE A 1 66 ? 18.202 -1.997 -10.707 1.00 76.45 66 A 1 ATOM 495 C CD2 . PHE A 1 66 ? 16.617 -1.161 -9.067 1.00 76.35 66 A 1 ATOM 496 C CE1 . PHE A 1 66 ? 17.571 -3.256 -10.680 1.00 73.00 66 A 1 ATOM 497 C CE2 . PHE A 1 66 ? 15.985 -2.419 -9.037 1.00 73.21 66 A 1 ATOM 498 C CZ . PHE A 1 66 ? 16.461 -3.465 -9.846 1.00 72.58 66 A 1 ATOM 499 N N . THR A 1 67 ? 20.996 2.360 -8.242 1.00 88.70 67 A 1 ATOM 500 C CA . THR A 1 67 ? 21.725 3.649 -8.225 1.00 88.75 67 A 1 ATOM 501 C C . THR A 1 67 ? 23.209 3.402 -8.006 1.00 84.24 67 A 1 ATOM 502 O O . THR A 1 67 ? 24.012 4.045 -8.716 1.00 76.45 67 A 1 ATOM 503 C CB . THR A 1 67 ? 21.196 4.592 -7.135 1.00 83.85 67 A 1 ATOM 504 O OG1 . THR A 1 67 ? 19.795 4.658 -7.160 1.00 77.24 67 A 1 ATOM 505 C CG2 . THR A 1 67 ? 21.720 6.015 -7.310 1.00 76.11 67 A 1 ATOM 506 O OXT . THR A 1 67 ? 23.510 2.607 -7.102 1.00 76.52 67 A 1 #