# 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_orf71 # _entry.id orf71 # 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" "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" "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 PHE 2 1 n THR 3 1 n LEU 4 1 n GLU 5 1 n ILE 6 1 n LYS 7 1 n TYR 8 1 n PHE 9 1 n GLY 10 1 n SER 11 1 n ASP 12 1 n TRP 13 1 n GLU 14 1 n VAL 15 1 n GLU 16 1 n ASP 17 1 n VAL 18 1 n PHE 19 1 n ASN 20 1 n ASN 21 1 n ARG 22 1 n TYR 23 1 n ASP 24 1 n ALA 25 1 n GLU 26 1 n GLN 27 1 n THR 28 1 n GLY 29 1 n LYS 30 1 n PHE 31 1 n MET 32 1 n LEU 33 1 n SER 34 1 n GLN 35 1 n GLY 36 1 n LEU 37 1 n ILE 38 1 n THR 39 1 n ASN 40 1 n TRP 41 1 n ARG 42 1 n VAL 43 1 n LEU 44 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:28:43)" _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 46.98 _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 48.80 1 1 A PHE 2 2 48.40 1 2 A THR 3 2 56.37 1 3 A LEU 4 2 56.48 1 4 A GLU 5 2 57.44 1 5 A ILE 6 2 57.00 1 6 A LYS 7 2 54.68 1 7 A TYR 8 2 51.52 1 8 A PHE 9 2 50.48 1 9 A GLY 10 2 56.07 1 10 A SER 11 2 52.26 1 11 A ASP 12 2 48.09 1 12 A TRP 13 2 45.75 1 13 A GLU 14 2 48.85 1 14 A VAL 15 2 51.02 1 15 A GLU 16 2 50.49 1 16 A ASP 17 2 49.40 1 17 A VAL 18 2 46.49 1 18 A PHE 19 2 46.99 1 19 A ASN 20 2 46.95 1 20 A ASN 21 2 47.31 1 21 A ARG 22 2 41.53 1 22 A TYR 23 2 42.19 1 23 A ASP 24 2 40.68 1 24 A ALA 25 2 40.49 1 25 A GLU 26 2 39.50 1 26 A GLN 27 2 41.69 1 27 A THR 28 2 41.54 1 28 A GLY 29 2 48.11 1 29 A LYS 30 2 43.73 1 30 A PHE 31 2 46.27 1 31 A MET 32 2 43.47 1 32 A LEU 33 2 46.60 1 33 A SER 34 2 48.87 1 34 A GLN 35 2 45.09 1 35 A GLY 36 2 49.84 1 36 A LEU 37 2 44.60 1 37 A ILE 38 2 47.01 1 38 A THR 39 2 46.92 1 39 A ASN 40 2 46.29 1 40 A TRP 41 2 44.40 1 41 A ARG 42 2 40.65 1 42 A VAL 43 2 40.62 1 43 A LEU 44 2 38.43 1 44 # _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 PHE . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n GLU . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n ARG . 22 A 22 A 23 1 n TYR . 23 A 23 A 24 1 n ASP . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n GLU . 26 A 26 A 27 1 n GLN . 27 A 27 A 28 1 n THR . 28 A 28 A 29 1 n GLY . 29 A 29 A 30 1 n LYS . 30 A 30 A 31 1 n PHE . 31 A 31 A 32 1 n MET . 32 A 32 A 33 1 n LEU . 33 A 33 A 34 1 n SER . 34 A 34 A 35 1 n GLN . 35 A 35 A 36 1 n GLY . 36 A 36 A 37 1 n LEU . 37 A 37 A 38 1 n ILE . 38 A 38 A 39 1 n THR . 39 A 39 A 40 1 n ASN . 40 A 40 A 41 1 n TRP . 41 A 41 A 42 1 n ARG . 42 A 42 A 43 1 n VAL . 43 A 43 A 44 1 n LEU . 44 A 44 # _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 ? 8.289 2.459 -14.803 1.00 49.32 1 A 1 ATOM 2 C CA . MET A 1 1 ? 7.163 3.231 -14.233 1.00 53.59 1 A 1 ATOM 3 C C . MET A 1 1 ? 6.132 2.208 -13.806 1.00 55.77 1 A 1 ATOM 4 O O . MET A 1 1 ? 5.812 1.347 -14.619 1.00 52.97 1 A 1 ATOM 5 C CB . MET A 1 1 ? 6.624 4.219 -15.277 1.00 52.13 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.596 5.219 -14.729 1.00 44.65 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.225 6.510 -15.955 1.00 42.17 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.974 7.479 -15.061 1.00 39.81 1 A 1 ATOM 9 N N . PHE A 1 2 ? 5.714 2.222 -12.545 1.00 51.14 2 A 1 ATOM 10 C CA . PHE A 1 2 ? 4.657 1.363 -12.009 1.00 53.78 2 A 1 ATOM 11 C C . PHE A 1 2 ? 3.501 2.254 -11.561 1.00 54.65 2 A 1 ATOM 12 O O . PHE A 1 2 ? 3.729 3.397 -11.150 1.00 53.87 2 A 1 ATOM 13 C CB . PHE A 1 2 ? 5.196 0.471 -10.880 1.00 52.12 2 A 1 ATOM 14 C CG . PHE A 1 2 ? 5.713 1.202 -9.654 1.00 48.79 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? 7.073 1.569 -9.569 1.00 45.89 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? 4.843 1.506 -8.592 1.00 45.82 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? 7.555 2.233 -8.432 1.00 42.50 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? 5.323 2.175 -7.454 1.00 42.89 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? 6.682 2.540 -7.377 1.00 40.95 2 A 1 ATOM 20 N N . THR A 1 3 ? 2.281 1.750 -11.693 1.00 56.80 3 A 1 ATOM 21 C CA . THR A 1 3 ? 1.073 2.441 -11.236 1.00 59.27 3 A 1 ATOM 22 C C . THR A 1 3 ? 0.523 1.655 -10.055 1.00 60.42 3 A 1 ATOM 23 O O . THR A 1 3 ? 0.304 0.453 -10.173 1.00 59.34 3 A 1 ATOM 24 C CB . THR A 1 3 ? 0.034 2.553 -12.364 1.00 57.26 3 A 1 ATOM 25 O OG1 . THR A 1 3 ? 0.617 3.189 -13.485 1.00 50.95 3 A 1 ATOM 26 C CG2 . THR A 1 3 ? -1.173 3.396 -11.956 1.00 50.58 3 A 1 ATOM 27 N N . LEU A 1 4 ? 0.356 2.317 -8.917 1.00 58.09 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -0.297 1.750 -7.741 1.00 59.73 4 A 1 ATOM 29 C C . LEU A 1 4 ? -1.746 2.238 -7.731 1.00 60.29 4 A 1 ATOM 30 O O . LEU A 1 4 ? -1.984 3.444 -7.673 1.00 59.56 4 A 1 ATOM 31 C CB . LEU A 1 4 ? 0.482 2.186 -6.484 1.00 58.05 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -0.075 1.608 -5.172 1.00 54.05 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? 0.179 0.105 -5.063 1.00 51.48 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? 0.601 2.297 -3.990 1.00 50.61 4 A 1 ATOM 35 N N . GLU A 1 5 ? -2.688 1.308 -7.814 1.00 60.48 5 A 1 ATOM 36 C CA . GLU A 1 5 ? -4.105 1.625 -7.654 1.00 62.30 5 A 1 ATOM 37 C C . GLU A 1 5 ? -4.511 1.311 -6.209 1.00 62.81 5 A 1 ATOM 38 O O . GLU A 1 5 ? -4.324 0.194 -5.731 1.00 62.42 5 A 1 ATOM 39 C CB . GLU A 1 5 ? -4.936 0.861 -8.701 1.00 60.71 5 A 1 ATOM 40 C CG . GLU A 1 5 ? -6.371 1.411 -8.791 1.00 54.71 5 A 1 ATOM 41 C CD . GLU A 1 5 ? -7.221 0.689 -9.853 1.00 52.97 5 A 1 ATOM 42 O OE1 . GLU A 1 5 ? -8.447 0.541 -9.624 1.00 49.84 5 A 1 ATOM 43 O OE2 . GLU A 1 5 ? -6.656 0.279 -10.891 1.00 50.74 5 A 1 ATOM 44 N N . ILE A 1 6 ? -5.012 2.310 -5.492 1.00 59.52 6 A 1 ATOM 45 C CA . ILE A 1 6 ? -5.484 2.165 -4.111 1.00 59.51 6 A 1 ATOM 46 C C . ILE A 1 6 ? -7.001 2.308 -4.141 1.00 58.68 6 A 1 ATOM 47 O O . ILE A 1 6 ? -7.518 3.369 -4.504 1.00 57.24 6 A 1 ATOM 48 C CB . ILE A 1 6 ? -4.820 3.193 -3.166 1.00 58.37 6 A 1 ATOM 49 C CG1 . ILE A 1 6 ? -3.273 3.083 -3.208 1.00 54.88 6 A 1 ATOM 50 C CG2 . ILE A 1 6 ? -5.336 2.988 -1.728 1.00 54.91 6 A 1 ATOM 51 C CD1 . ILE A 1 6 ? -2.548 4.146 -2.375 1.00 52.88 6 A 1 ATOM 52 N N . LYS A 1 7 ? -7.710 1.247 -3.758 1.00 57.80 7 A 1 ATOM 53 C CA . LYS A 1 7 ? -9.174 1.252 -3.659 1.00 58.58 7 A 1 ATOM 54 C C . LYS A 1 7 ? -9.581 1.429 -2.198 1.00 57.81 7 A 1 ATOM 55 O O . LYS A 1 7 ? -9.050 0.776 -1.300 1.00 56.64 7 A 1 ATOM 56 C CB . LYS A 1 7 ? -9.754 -0.013 -4.302 1.00 57.35 7 A 1 ATOM 57 C CG . LYS A 1 7 ? -9.550 -0.012 -5.831 1.00 54.04 7 A 1 ATOM 58 C CD . LYS A 1 7 ? -10.015 -1.331 -6.464 1.00 53.77 7 A 1 ATOM 59 C CE . LYS A 1 7 ? -9.679 -1.316 -7.956 1.00 50.11 7 A 1 ATOM 60 N NZ . LYS A 1 7 ? -9.437 -2.676 -8.491 1.00 46.04 7 A 1 ATOM 61 N N . TYR A 1 8 ? -10.510 2.349 -1.971 1.00 57.86 8 A 1 ATOM 62 C CA . TYR A 1 8 ? -11.082 2.630 -0.655 1.00 57.48 8 A 1 ATOM 63 C C . TYR A 1 8 ? -12.441 1.938 -0.524 1.00 56.47 8 A 1 ATOM 64 O O . TYR A 1 8 ? -13.363 2.250 -1.276 1.00 54.56 8 A 1 ATOM 65 C CB . TYR A 1 8 ? -11.212 4.148 -0.476 1.00 55.93 8 A 1 ATOM 66 C CG . TYR A 1 8 ? -11.828 4.557 0.848 1.00 53.29 8 A 1 ATOM 67 C CD1 . TYR A 1 8 ? -13.099 5.172 0.890 1.00 50.70 8 A 1 ATOM 68 C CD2 . TYR A 1 8 ? -11.141 4.307 2.048 1.00 49.80 8 A 1 ATOM 69 C CE1 . TYR A 1 8 ? -13.662 5.550 2.126 1.00 46.41 8 A 1 ATOM 70 C CE2 . TYR A 1 8 ? -11.704 4.675 3.286 1.00 46.74 8 A 1 ATOM 71 C CZ . TYR A 1 8 ? -12.963 5.300 3.327 1.00 44.71 8 A 1 ATOM 72 O OH . TYR A 1 8 ? -13.500 5.659 4.521 1.00 44.26 8 A 1 ATOM 73 N N . PHE A 1 9 ? -12.580 1.049 0.449 1.00 55.68 9 A 1 ATOM 74 C CA . PHE A 1 9 ? -13.806 0.274 0.705 1.00 54.82 9 A 1 ATOM 75 C C . PHE A 1 9 ? -14.567 0.725 1.971 1.00 53.10 9 A 1 ATOM 76 O O . PHE A 1 9 ? -15.349 -0.024 2.546 1.00 50.69 9 A 1 ATOM 77 C CB . PHE A 1 9 ? -13.473 -1.223 0.681 1.00 53.81 9 A 1 ATOM 78 C CG . PHE A 1 9 ? -13.051 -1.732 -0.692 1.00 52.24 9 A 1 ATOM 79 C CD1 . PHE A 1 9 ? -14.036 -2.037 -1.659 1.00 50.23 9 A 1 ATOM 80 C CD2 . PHE A 1 9 ? -11.692 -1.906 -0.999 1.00 49.18 9 A 1 ATOM 81 C CE1 . PHE A 1 9 ? -13.657 -2.529 -2.920 1.00 46.06 9 A 1 ATOM 82 C CE2 . PHE A 1 9 ? -11.315 -2.395 -2.262 1.00 45.55 9 A 1 ATOM 83 C CZ . PHE A 1 9 ? -12.298 -2.712 -3.219 1.00 43.92 9 A 1 ATOM 84 N N . GLY A 1 10 ? -14.369 1.956 2.402 1.00 56.16 10 A 1 ATOM 85 C CA . GLY A 1 10 ? -15.151 2.579 3.478 1.00 56.39 10 A 1 ATOM 86 C C . GLY A 1 10 ? -14.637 2.334 4.900 1.00 57.25 10 A 1 ATOM 87 O O . GLY A 1 10 ? -14.563 3.291 5.669 1.00 54.46 10 A 1 ATOM 88 N N . SER A 1 11 ? -14.243 1.113 5.248 1.00 52.57 11 A 1 ATOM 89 C CA . SER A 1 11 ? -13.656 0.786 6.556 1.00 54.20 11 A 1 ATOM 90 C C . SER A 1 11 ? -12.290 0.109 6.471 1.00 56.06 11 A 1 ATOM 91 O O . SER A 1 11 ? -11.526 0.184 7.429 1.00 52.98 11 A 1 ATOM 92 C CB . SER A 1 11 ? -14.615 -0.089 7.370 1.00 51.05 11 A 1 ATOM 93 O OG . SER A 1 11 ? -14.963 -1.263 6.664 1.00 46.67 11 A 1 ATOM 94 N N . ASP A 1 12 ? -11.979 -0.488 5.327 1.00 49.18 12 A 1 ATOM 95 C CA . ASP A 1 12 ? -10.764 -1.270 5.139 1.00 51.71 12 A 1 ATOM 96 C C . ASP A 1 12 ? -10.004 -0.805 3.896 1.00 52.57 12 A 1 ATOM 97 O O . ASP A 1 12 ? -10.582 -0.403 2.880 1.00 50.77 12 A 1 ATOM 98 C CB . ASP A 1 12 ? -11.107 -2.769 5.107 1.00 49.31 12 A 1 ATOM 99 C CG . ASP A 1 12 ? -11.729 -3.214 6.438 1.00 45.19 12 A 1 ATOM 100 O OD1 . ASP A 1 12 ? -11.036 -3.087 7.475 1.00 43.62 12 A 1 ATOM 101 O OD2 . ASP A 1 12 ? -12.925 -3.591 6.430 1.00 42.39 12 A 1 ATOM 102 N N . TRP A 1 13 ? -8.684 -0.837 3.993 1.00 50.84 13 A 1 ATOM 103 C CA . TRP A 1 13 ? -7.764 -0.579 2.894 1.00 52.19 13 A 1 ATOM 104 C C . TRP A 1 13 ? -7.217 -1.921 2.420 1.00 51.88 13 A 1 ATOM 105 O O . TRP A 1 13 ? -6.523 -2.603 3.174 1.00 50.19 13 A 1 ATOM 106 C CB . TRP A 1 13 ? -6.640 0.344 3.352 1.00 50.48 13 A 1 ATOM 107 C CG . TRP A 1 13 ? -7.074 1.711 3.790 1.00 48.14 13 A 1 ATOM 108 C CD1 . TRP A 1 13 ? -7.346 2.081 5.059 1.00 44.00 13 A 1 ATOM 109 C CD2 . TRP A 1 13 ? -7.291 2.901 2.965 1.00 44.94 13 A 1 ATOM 110 N NE1 . TRP A 1 13 ? -7.710 3.417 5.085 1.00 42.73 13 A 1 ATOM 111 C CE2 . TRP A 1 13 ? -7.683 3.976 3.820 1.00 43.29 13 A 1 ATOM 112 C CE3 . TRP A 1 13 ? -7.186 3.181 1.586 1.00 41.35 13 A 1 ATOM 113 C CZ2 . TRP A 1 13 ? -7.945 5.264 3.332 1.00 41.64 13 A 1 ATOM 114 C CZ3 . TRP A 1 13 ? -7.449 4.468 1.083 1.00 39.79 13 A 1 ATOM 115 C CH2 . TRP A 1 13 ? -7.825 5.510 1.954 1.00 39.08 13 A 1 ATOM 116 N N . GLU A 1 14 ? -7.505 -2.262 1.170 1.00 51.57 14 A 1 ATOM 117 C CA . GLU A 1 14 ? -6.957 -3.465 0.549 1.00 53.16 14 A 1 ATOM 118 C C . GLU A 1 14 ? -5.920 -3.045 -0.493 1.00 53.39 14 A 1 ATOM 119 O O . GLU A 1 14 ? -6.170 -2.183 -1.347 1.00 51.99 14 A 1 ATOM 120 C CB . GLU A 1 14 ? -8.100 -4.331 -0.000 1.00 51.36 14 A 1 ATOM 121 C CG . GLU A 1 14 ? -7.657 -5.782 -0.240 1.00 46.52 14 A 1 ATOM 122 C CD . GLU A 1 14 ? -8.835 -6.726 -0.537 1.00 44.88 14 A 1 ATOM 123 O OE1 . GLU A 1 14 ? -8.631 -7.954 -0.394 1.00 43.15 14 A 1 ATOM 124 O OE2 . GLU A 1 14 ? -9.935 -6.232 -0.884 1.00 43.67 14 A 1 ATOM 125 N N . VAL A 1 15 ? -4.725 -3.592 -0.376 1.00 52.66 15 A 1 ATOM 126 C CA . VAL A 1 15 ? -3.654 -3.401 -1.355 1.00 52.98 15 A 1 ATOM 127 C C . VAL A 1 15 ? -3.650 -4.643 -2.232 1.00 52.74 15 A 1 ATOM 128 O O . VAL A 1 15 ? -3.190 -5.697 -1.803 1.00 51.24 15 A 1 ATOM 129 C CB . VAL A 1 15 ? -2.293 -3.151 -0.673 1.00 51.80 15 A 1 ATOM 130 C CG1 . VAL A 1 15 ? -1.193 -2.913 -1.718 1.00 47.56 15 A 1 ATOM 131 C CG2 . VAL A 1 15 ? -2.339 -1.919 0.243 1.00 48.14 15 A 1 ATOM 132 N N . GLU A 1 16 ? -4.198 -4.521 -3.447 1.00 53.96 16 A 1 ATOM 133 C CA . GLU A 1 16 ? -4.075 -5.585 -4.448 1.00 54.44 16 A 1 ATOM 134 C C . GLU A 1 16 ? -2.606 -5.729 -4.875 1.00 54.05 16 A 1 ATOM 135 O O . GLU A 1 16 ? -1.876 -4.734 -5.015 1.00 51.70 16 A 1 ATOM 136 C CB . GLU A 1 16 ? -5.012 -5.350 -5.653 1.00 53.32 16 A 1 ATOM 137 C CG . GLU A 1 16 ? -6.437 -5.890 -5.417 1.00 48.91 16 A 1 ATOM 138 C CD . GLU A 1 16 ? -7.393 -5.702 -6.619 1.00 47.64 16 A 1 ATOM 139 O OE1 . GLU A 1 16 ? -8.216 -6.608 -6.883 1.00 45.01 16 A 1 ATOM 140 O OE2 . GLU A 1 16 ? -7.392 -4.613 -7.254 1.00 45.39 16 A 1 ATOM 141 N N . ASP A 1 17 ? -2.181 -6.976 -5.061 1.00 53.21 17 A 1 ATOM 142 C CA . ASP A 1 17 ? -0.812 -7.351 -5.396 1.00 52.75 17 A 1 ATOM 143 C C . ASP A 1 17 ? -0.233 -6.520 -6.550 1.00 52.33 17 A 1 ATOM 144 O O . ASP A 1 17 ? -0.775 -6.439 -7.656 1.00 50.73 17 A 1 ATOM 145 C CB . ASP A 1 17 ? -0.751 -8.845 -5.749 1.00 50.43 17 A 1 ATOM 146 C CG . ASP A 1 17 ? -0.940 -9.746 -4.529 1.00 46.25 17 A 1 ATOM 147 O OD1 . ASP A 1 17 ? -0.231 -9.503 -3.526 1.00 44.60 17 A 1 ATOM 148 O OD2 . ASP A 1 17 ? -1.769 -10.676 -4.626 1.00 44.88 17 A 1 ATOM 149 N N . VAL A 1 18 ? 0.917 -5.909 -6.306 1.00 49.57 18 A 1 ATOM 150 C CA . VAL A 1 18 ? 1.671 -5.201 -7.344 1.00 49.03 18 A 1 ATOM 151 C C . VAL A 1 18 ? 2.486 -6.224 -8.136 1.00 48.96 18 A 1 ATOM 152 O O . VAL A 1 18 ? 3.641 -6.510 -7.812 1.00 46.43 18 A 1 ATOM 153 C CB . VAL A 1 18 ? 2.541 -4.067 -6.761 1.00 46.23 18 A 1 ATOM 154 C CG1 . VAL A 1 18 ? 3.263 -3.295 -7.881 1.00 42.44 18 A 1 ATOM 155 C CG2 . VAL A 1 18 ? 1.697 -3.054 -5.973 1.00 42.78 18 A 1 ATOM 156 N N . PHE A 1 19 ? 1.904 -6.756 -9.205 1.00 50.84 19 A 1 ATOM 157 C CA . PHE A 1 19 ? 2.629 -7.621 -10.136 1.00 51.47 19 A 1 ATOM 158 C C . PHE A 1 19 ? 3.630 -6.799 -10.953 1.00 51.07 19 A 1 ATOM 159 O O . PHE A 1 19 ? 3.274 -6.036 -11.852 1.00 48.81 19 A 1 ATOM 160 C CB . PHE A 1 19 ? 1.641 -8.397 -11.020 1.00 49.95 19 A 1 ATOM 161 C CG . PHE A 1 19 ? 0.833 -9.426 -10.247 1.00 48.18 19 A 1 ATOM 162 C CD1 . PHE A 1 19 ? 1.386 -10.691 -9.960 1.00 45.65 19 A 1 ATOM 163 C CD2 . PHE A 1 19 ? -0.452 -9.099 -9.778 1.00 45.21 19 A 1 ATOM 164 C CE1 . PHE A 1 19 ? 0.656 -11.626 -9.205 1.00 42.89 19 A 1 ATOM 165 C CE2 . PHE A 1 19 ? -1.180 -10.032 -9.017 1.00 41.89 19 A 1 ATOM 166 C CZ . PHE A 1 19 ? -0.624 -11.295 -8.730 1.00 40.95 19 A 1 ATOM 167 N N . ASN A 1 20 ? 4.916 -6.964 -10.667 1.00 49.33 20 A 1 ATOM 168 C CA . ASN A 1 20 ? 5.989 -6.400 -11.481 1.00 50.75 20 A 1 ATOM 169 C C . ASN A 1 20 ? 6.450 -7.434 -12.524 1.00 51.44 20 A 1 ATOM 170 O O . ASN A 1 20 ? 7.396 -8.186 -12.296 1.00 48.64 20 A 1 ATOM 171 C CB . ASN A 1 20 ? 7.119 -5.897 -10.570 1.00 48.56 20 A 1 ATOM 172 C CG . ASN A 1 20 ? 8.162 -5.092 -11.324 1.00 43.79 20 A 1 ATOM 173 O OD1 . ASN A 1 20 ? 8.134 -4.910 -12.539 1.00 42.01 20 A 1 ATOM 174 N ND2 . ASN A 1 20 ? 9.126 -4.544 -10.620 1.00 41.09 20 A 1 ATOM 175 N N . ASN A 1 21 ? 5.840 -7.409 -13.705 1.00 49.60 21 A 1 ATOM 176 C CA . ASN A 1 21 ? 6.144 -8.319 -14.825 1.00 51.08 21 A 1 ATOM 177 C C . ASN A 1 21 ? 7.568 -8.182 -15.418 1.00 51.09 21 A 1 ATOM 178 O O . ASN A 1 21 ? 7.842 -8.722 -16.488 1.00 49.13 21 A 1 ATOM 179 C CB . ASN A 1 21 ? 5.073 -8.119 -15.923 1.00 48.92 21 A 1 ATOM 180 C CG . ASN A 1 21 ? 3.712 -8.686 -15.562 1.00 44.13 21 A 1 ATOM 181 O OD1 . ASN A 1 21 ? 3.570 -9.555 -14.730 1.00 42.40 21 A 1 ATOM 182 N ND2 . ASN A 1 21 ? 2.658 -8.229 -16.197 1.00 42.10 21 A 1 ATOM 183 N N . ARG A 1 22 ? 8.484 -7.415 -14.810 1.00 47.06 22 A 1 ATOM 184 C CA . ARG A 1 22 ? 9.854 -7.213 -15.320 1.00 47.73 22 A 1 ATOM 185 C C . ARG A 1 22 ? 10.944 -7.908 -14.509 1.00 47.82 22 A 1 ATOM 186 O O . ARG A 1 22 ? 12.092 -7.892 -14.946 1.00 46.24 22 A 1 ATOM 187 C CB . ARG A 1 22 ? 10.157 -5.721 -15.483 1.00 45.38 22 A 1 ATOM 188 C CG . ARG A 1 22 ? 9.379 -5.110 -16.654 1.00 41.46 22 A 1 ATOM 189 C CD . ARG A 1 22 ? 9.924 -3.708 -16.939 1.00 40.75 22 A 1 ATOM 190 N NE . ARG A 1 22 ? 9.138 -3.040 -17.993 1.00 38.37 22 A 1 ATOM 191 C CZ . ARG A 1 22 ? 9.391 -1.854 -18.516 1.00 35.24 22 A 1 ATOM 192 N NH1 . ARG A 1 22 ? 10.424 -1.151 -18.148 1.00 34.01 22 A 1 ATOM 193 N NH2 . ARG A 1 22 ? 8.595 -1.357 -19.419 1.00 32.82 22 A 1 ATOM 194 N N . TYR A 1 23 ? 10.622 -8.469 -13.368 1.00 45.04 23 A 1 ATOM 195 C CA . TYR A 1 23 ? 11.579 -9.184 -12.529 1.00 46.30 23 A 1 ATOM 196 C C . TYR A 1 23 ? 10.907 -10.457 -12.014 1.00 45.26 23 A 1 ATOM 197 O O . TYR A 1 23 ? 9.822 -10.372 -11.446 1.00 43.08 23 A 1 ATOM 198 C CB . TYR A 1 23 ? 12.049 -8.267 -11.390 1.00 44.84 23 A 1 ATOM 199 C CG . TYR A 1 23 ? 12.831 -7.048 -11.869 1.00 42.42 23 A 1 ATOM 200 C CD1 . TYR A 1 23 ? 14.204 -7.169 -12.159 1.00 40.92 23 A 1 ATOM 201 C CD2 . TYR A 1 23 ? 12.183 -5.808 -12.060 1.00 41.16 23 A 1 ATOM 202 C CE1 . TYR A 1 23 ? 14.930 -6.058 -12.637 1.00 40.05 23 A 1 ATOM 203 C CE2 . TYR A 1 23 ? 12.906 -4.695 -12.542 1.00 39.82 23 A 1 ATOM 204 C CZ . TYR A 1 23 ? 14.280 -4.822 -12.830 1.00 38.45 23 A 1 ATOM 205 O OH . TYR A 1 23 ? 14.984 -3.750 -13.300 1.00 38.95 23 A 1 ATOM 206 N N . ASP A 1 24 ? 11.556 -11.609 -12.197 1.00 43.06 24 A 1 ATOM 207 C CA . ASP A 1 24 ? 11.133 -12.936 -11.708 1.00 44.08 24 A 1 ATOM 208 C C . ASP A 1 24 ? 11.157 -13.066 -10.164 1.00 43.59 24 A 1 ATOM 209 O O . ASP A 1 24 ? 11.381 -14.139 -9.605 1.00 41.67 24 A 1 ATOM 210 C CB . ASP A 1 24 ? 12.016 -14.029 -12.355 1.00 41.74 24 A 1 ATOM 211 C CG . ASP A 1 24 ? 11.686 -14.317 -13.821 1.00 38.14 24 A 1 ATOM 212 O OD1 . ASP A 1 24 ? 10.484 -14.344 -14.165 1.00 36.69 24 A 1 ATOM 213 O OD2 . ASP A 1 24 ? 12.653 -14.517 -14.593 1.00 36.47 24 A 1 ATOM 214 N N . ALA A 1 25 ? 10.986 -11.971 -9.450 1.00 41.10 25 A 1 ATOM 215 C CA . ALA A 1 25 ? 10.910 -11.939 -8.004 1.00 41.20 25 A 1 ATOM 216 C C . ALA A 1 25 ? 9.539 -11.390 -7.601 1.00 41.61 25 A 1 ATOM 217 O O . ALA A 1 25 ? 9.235 -10.221 -7.854 1.00 39.58 25 A 1 ATOM 218 C CB . ALA A 1 25 ? 12.085 -11.118 -7.461 1.00 38.95 25 A 1 ATOM 219 N N . GLU A 1 26 ? 8.747 -12.232 -6.945 1.00 41.70 26 A 1 ATOM 220 C CA . GLU A 1 26 ? 7.610 -11.769 -6.147 1.00 43.25 26 A 1 ATOM 221 C C . GLU A 1 26 ? 8.142 -10.777 -5.108 1.00 43.40 26 A 1 ATOM 222 O O . GLU A 1 26 ? 8.730 -11.143 -4.087 1.00 41.76 26 A 1 ATOM 223 C CB . GLU A 1 26 ? 6.913 -12.949 -5.451 1.00 41.92 26 A 1 ATOM 224 C CG . GLU A 1 26 ? 5.883 -13.666 -6.332 1.00 37.51 26 A 1 ATOM 225 C CD . GLU A 1 26 ? 5.171 -14.798 -5.576 1.00 36.09 26 A 1 ATOM 226 O OE1 . GLU A 1 26 ? 3.957 -14.980 -5.805 1.00 34.16 26 A 1 ATOM 227 O OE2 . GLU A 1 26 ? 5.856 -15.489 -4.782 1.00 35.75 26 A 1 ATOM 228 N N . GLN A 1 27 ? 8.005 -9.496 -5.391 1.00 44.33 27 A 1 ATOM 229 C CA . GLN A 1 27 ? 8.296 -8.460 -4.415 1.00 45.25 27 A 1 ATOM 230 C C . GLN A 1 27 ? 7.035 -8.220 -3.598 1.00 44.64 27 A 1 ATOM 231 O O . GLN A 1 27 ? 6.181 -7.409 -3.965 1.00 42.90 27 A 1 ATOM 232 C CB . GLN A 1 27 ? 8.823 -7.186 -5.093 1.00 44.51 27 A 1 ATOM 233 C CG . GLN A 1 27 ? 10.212 -7.417 -5.701 1.00 40.35 27 A 1 ATOM 234 C CD . GLN A 1 27 ? 10.859 -6.149 -6.248 1.00 38.32 27 A 1 ATOM 235 O OE1 . GLN A 1 27 ? 10.363 -5.036 -6.158 1.00 37.22 27 A 1 ATOM 236 N NE2 . GLN A 1 27 ? 12.028 -6.268 -6.837 1.00 37.66 27 A 1 ATOM 237 N N . THR A 1 28 ? 6.932 -8.921 -2.471 1.00 43.31 28 A 1 ATOM 238 C CA . THR A 1 28 ? 5.845 -8.669 -1.519 1.00 44.01 28 A 1 ATOM 239 C C . THR A 1 28 ? 6.118 -7.347 -0.804 1.00 44.47 28 A 1 ATOM 240 O O . THR A 1 28 ? 6.903 -7.264 0.143 1.00 42.36 28 A 1 ATOM 241 C CB . THR A 1 28 ? 5.672 -9.827 -0.528 1.00 41.38 28 A 1 ATOM 242 O OG1 . THR A 1 28 ? 5.733 -11.068 -1.184 1.00 37.52 28 A 1 ATOM 243 C CG2 . THR A 1 28 ? 4.311 -9.765 0.166 1.00 37.76 28 A 1 ATOM 244 N N . GLY A 1 29 ? 5.493 -6.281 -1.282 1.00 47.51 29 A 1 ATOM 245 C CA . GLY A 1 29 ? 5.498 -4.988 -0.605 1.00 48.03 29 A 1 ATOM 246 C C . GLY A 1 29 ? 4.465 -4.965 0.517 1.00 49.22 29 A 1 ATOM 247 O O . GLY A 1 29 ? 3.285 -5.206 0.279 1.00 47.69 29 A 1 ATOM 248 N N . LYS A 1 30 ? 4.879 -4.643 1.734 1.00 46.96 30 A 1 ATOM 249 C CA . LYS A 1 30 ? 3.938 -4.321 2.816 1.00 47.72 30 A 1 ATOM 250 C C . LYS A 1 30 ? 3.748 -2.811 2.872 1.00 48.45 30 A 1 ATOM 251 O O . LYS A 1 30 ? 4.709 -2.068 3.076 1.00 47.38 30 A 1 ATOM 252 C CB . LYS A 1 30 ? 4.401 -4.896 4.160 1.00 46.09 30 A 1 ATOM 253 C CG . LYS A 1 30 ? 4.272 -6.427 4.172 1.00 42.28 30 A 1 ATOM 254 C CD . LYS A 1 30 ? 4.594 -7.011 5.552 1.00 41.47 30 A 1 ATOM 255 C CE . LYS A 1 30 ? 4.454 -8.534 5.478 1.00 38.21 30 A 1 ATOM 256 N NZ . LYS A 1 30 ? 4.748 -9.193 6.771 1.00 35.01 30 A 1 ATOM 257 N N . PHE A 1 31 ? 2.512 -2.377 2.720 1.00 48.09 31 A 1 ATOM 258 C CA . PHE A 1 31 ? 2.118 -0.978 2.846 1.00 49.01 31 A 1 ATOM 259 C C . PHE A 1 31 ? 1.446 -0.772 4.203 1.00 48.36 31 A 1 ATOM 260 O O . PHE A 1 31 ? 0.525 -1.501 4.563 1.00 47.88 31 A 1 ATOM 261 C CB . PHE A 1 31 ? 1.192 -0.592 1.687 1.00 49.22 31 A 1 ATOM 262 C CG . PHE A 1 31 ? 1.848 -0.739 0.324 1.00 47.59 31 A 1 ATOM 263 C CD1 . PHE A 1 31 ? 2.602 0.319 -0.212 1.00 45.65 31 A 1 ATOM 264 C CD2 . PHE A 1 31 ? 1.733 -1.950 -0.387 1.00 45.77 31 A 1 ATOM 265 C CE1 . PHE A 1 31 ? 3.238 0.173 -1.457 1.00 42.79 31 A 1 ATOM 266 C CE2 . PHE A 1 31 ? 2.375 -2.097 -1.632 1.00 43.27 31 A 1 ATOM 267 C CZ . PHE A 1 31 ? 3.124 -1.034 -2.169 1.00 41.35 31 A 1 ATOM 268 N N . MET A 1 32 ? 1.900 0.221 4.961 1.00 46.84 32 A 1 ATOM 269 C CA . MET A 1 32 ? 1.220 0.645 6.182 1.00 47.70 32 A 1 ATOM 270 C C . MET A 1 32 ? 0.539 1.985 5.920 1.00 48.22 32 A 1 ATOM 271 O O . MET A 1 32 ? 1.196 2.987 5.620 1.00 46.32 32 A 1 ATOM 272 C CB . MET A 1 32 ? 2.199 0.660 7.362 1.00 45.28 32 A 1 ATOM 273 C CG . MET A 1 32 ? 1.442 0.586 8.693 1.00 40.65 32 A 1 ATOM 274 S SD . MET A 1 32 ? 2.496 0.204 10.122 1.00 37.70 32 A 1 ATOM 275 C CE . MET A 1 32 ? 3.341 1.793 10.342 1.00 35.01 32 A 1 ATOM 276 N N . LEU A 1 33 ? -0.785 1.974 6.002 1.00 48.36 33 A 1 ATOM 277 C CA . LEU A 1 33 ? -1.620 3.161 5.862 1.00 49.26 33 A 1 ATOM 278 C C . LEU A 1 33 ? -2.022 3.646 7.256 1.00 48.75 33 A 1 ATOM 279 O O . LEU A 1 33 ? -2.483 2.865 8.084 1.00 46.65 33 A 1 ATOM 280 C CB . LEU A 1 33 ? -2.837 2.824 4.984 1.00 48.48 33 A 1 ATOM 281 C CG . LEU A 1 33 ? -2.481 2.617 3.495 1.00 45.09 33 A 1 ATOM 282 C CD1 . LEU A 1 33 ? -3.565 1.815 2.785 1.00 42.86 33 A 1 ATOM 283 C CD2 . LEU A 1 33 ? -2.331 3.958 2.773 1.00 43.36 33 A 1 ATOM 284 N N . SER A 1 34 ? -1.846 4.924 7.516 1.00 51.60 34 A 1 ATOM 285 C CA . SER A 1 34 ? -2.361 5.578 8.717 1.00 50.96 34 A 1 ATOM 286 C C . SER A 1 34 ? -3.101 6.838 8.296 1.00 50.18 34 A 1 ATOM 287 O O . SER A 1 34 ? -2.554 7.670 7.572 1.00 47.46 34 A 1 ATOM 288 C CB . SER A 1 34 ? -1.229 5.892 9.694 1.00 48.66 34 A 1 ATOM 289 O OG . SER A 1 34 ? -1.754 6.459 10.872 1.00 44.36 34 A 1 ATOM 290 N N . GLN A 1 35 ? -4.355 6.957 8.723 1.00 47.70 35 A 1 ATOM 291 C CA . GLN A 1 35 ? -5.203 8.127 8.441 1.00 48.83 35 A 1 ATOM 292 C C . GLN A 1 35 ? -5.269 8.517 6.947 1.00 48.62 35 A 1 ATOM 293 O O . GLN A 1 35 ? -5.289 9.695 6.597 1.00 46.72 35 A 1 ATOM 294 C CB . GLN A 1 35 ? -4.769 9.298 9.341 1.00 47.95 35 A 1 ATOM 295 C CG . GLN A 1 35 ? -4.854 8.968 10.842 1.00 44.45 35 A 1 ATOM 296 C CD . GLN A 1 35 ? -4.425 10.142 11.721 1.00 41.77 35 A 1 ATOM 297 O OE1 . GLN A 1 35 ? -3.863 11.132 11.289 1.00 39.77 35 A 1 ATOM 298 N NE2 . GLN A 1 35 ? -4.667 10.071 13.010 1.00 40.02 35 A 1 ATOM 299 N N . GLY A 1 36 ? -5.283 7.525 6.051 1.00 49.74 36 A 1 ATOM 300 C CA . GLY A 1 36 ? -5.335 7.750 4.601 1.00 50.40 36 A 1 ATOM 301 C C . GLY A 1 36 ? -3.995 8.114 3.951 1.00 50.69 36 A 1 ATOM 302 O O . GLY A 1 36 ? -3.959 8.383 2.753 1.00 48.54 36 A 1 ATOM 303 N N . LEU A 1 37 ? -2.900 8.105 4.707 1.00 47.63 37 A 1 ATOM 304 C CA . LEU A 1 37 ? -1.556 8.363 4.197 1.00 48.20 37 A 1 ATOM 305 C C . LEU A 1 37 ? -0.718 7.079 4.209 1.00 48.07 37 A 1 ATOM 306 O O . LEU A 1 37 ? -0.731 6.323 5.180 1.00 45.96 37 A 1 ATOM 307 C CB . LEU A 1 37 ? -0.892 9.477 5.019 1.00 46.27 37 A 1 ATOM 308 C CG . LEU A 1 37 ? -1.602 10.843 4.908 1.00 41.93 37 A 1 ATOM 309 C CD1 . LEU A 1 37 ? -1.003 11.815 5.919 1.00 39.38 37 A 1 ATOM 310 C CD2 . LEU A 1 37 ? -1.449 11.452 3.511 1.00 39.36 37 A 1 ATOM 311 N N . ILE A 1 38 ? 0.041 6.859 3.131 1.00 47.18 38 A 1 ATOM 312 C CA . ILE A 1 38 ? 1.082 5.823 3.109 1.00 48.91 38 A 1 ATOM 313 C C . ILE A 1 38 ? 2.214 6.303 4.018 1.00 48.31 38 A 1 ATOM 314 O O . ILE A 1 38 ? 2.938 7.237 3.679 1.00 46.78 38 A 1 ATOM 315 C CB . ILE A 1 38 ? 1.568 5.529 1.671 1.00 48.57 38 A 1 ATOM 316 C CG1 . ILE A 1 38 ? 0.397 5.052 0.781 1.00 45.84 38 A 1 ATOM 317 C CG2 . ILE A 1 38 ? 2.687 4.471 1.703 1.00 45.81 38 A 1 ATOM 318 C CD1 . ILE A 1 38 ? 0.749 4.908 -0.703 1.00 44.65 38 A 1 ATOM 319 N N . THR A 1 39 ? 2.344 5.695 5.190 1.00 48.43 39 A 1 ATOM 320 C CA . THR A 1 39 ? 3.341 6.109 6.192 1.00 49.50 39 A 1 ATOM 321 C C . THR A 1 39 ? 4.631 5.313 6.105 1.00 50.00 39 A 1 ATOM 322 O O . THR A 1 39 ? 5.674 5.795 6.540 1.00 47.28 39 A 1 ATOM 323 C CB . THR A 1 39 ? 2.773 6.009 7.611 1.00 46.97 39 A 1 ATOM 324 O OG1 . THR A 1 39 ? 2.221 4.734 7.852 1.00 43.27 39 A 1 ATOM 325 C CG2 . THR A 1 39 ? 1.678 7.044 7.840 1.00 43.00 39 A 1 ATOM 326 N N . ASN A 1 40 ? 4.582 4.108 5.553 1.00 48.58 40 A 1 ATOM 327 C CA . ASN A 1 40 ? 5.776 3.292 5.367 1.00 49.96 40 A 1 ATOM 328 C C . ASN A 1 40 ? 5.568 2.263 4.254 1.00 50.44 40 A 1 ATOM 329 O O . ASN A 1 40 ? 4.466 1.743 4.081 1.00 48.86 40 A 1 ATOM 330 C CB . ASN A 1 40 ? 6.131 2.622 6.707 1.00 47.67 40 A 1 ATOM 331 C CG . ASN A 1 40 ? 7.620 2.380 6.855 1.00 43.11 40 A 1 ATOM 332 O OD1 . ASN A 1 40 ? 8.376 2.315 5.902 1.00 41.05 40 A 1 ATOM 333 N ND2 . ASN A 1 40 ? 8.099 2.255 8.064 1.00 40.67 40 A 1 ATOM 334 N N . TRP A 1 41 ? 6.644 1.959 3.524 1.00 48.54 41 A 1 ATOM 335 C CA . TRP A 1 41 ? 6.688 0.865 2.570 1.00 48.81 41 A 1 ATOM 336 C C . TRP A 1 41 ? 8.021 0.125 2.689 1.00 47.43 41 A 1 ATOM 337 O O . TRP A 1 41 ? 9.074 0.739 2.870 1.00 46.20 41 A 1 ATOM 338 C CB . TRP A 1 41 ? 6.405 1.379 1.151 1.00 48.07 41 A 1 ATOM 339 C CG . TRP A 1 41 ? 7.600 1.645 0.283 1.00 46.88 41 A 1 ATOM 340 C CD1 . TRP A 1 41 ? 8.499 2.638 0.452 1.00 43.52 41 A 1 ATOM 341 C CD2 . TRP A 1 41 ? 8.036 0.892 -0.899 1.00 44.18 41 A 1 ATOM 342 N NE1 . TRP A 1 41 ? 9.457 2.570 -0.550 1.00 42.94 41 A 1 ATOM 343 C CE2 . TRP A 1 41 ? 9.202 1.526 -1.423 1.00 43.17 41 A 1 ATOM 344 C CE3 . TRP A 1 41 ? 7.539 -0.230 -1.591 1.00 41.72 41 A 1 ATOM 345 C CZ2 . TRP A 1 41 ? 9.834 1.083 -2.593 1.00 40.98 41 A 1 ATOM 346 C CZ3 . TRP A 1 41 ? 8.166 -0.684 -2.764 1.00 39.64 41 A 1 ATOM 347 C CH2 . TRP A 1 41 ? 9.306 -0.026 -3.268 1.00 39.54 41 A 1 ATOM 348 N N . ARG A 1 42 ? 7.984 -1.198 2.619 1.00 46.41 42 A 1 ATOM 349 C CA . ARG A 1 42 ? 9.195 -2.025 2.629 1.00 47.15 42 A 1 ATOM 350 C C . ARG A 1 42 ? 9.046 -3.167 1.635 1.00 46.19 42 A 1 ATOM 351 O O . ARG A 1 42 ? 8.069 -3.911 1.700 1.00 45.16 42 A 1 ATOM 352 C CB . ARG A 1 42 ? 9.472 -2.525 4.058 1.00 44.99 42 A 1 ATOM 353 C CG . ARG A 1 42 ? 10.903 -3.059 4.190 1.00 41.47 42 A 1 ATOM 354 C CD . ARG A 1 42 ? 11.192 -3.459 5.636 1.00 40.40 42 A 1 ATOM 355 N NE . ARG A 1 42 ? 12.622 -3.752 5.827 1.00 36.99 42 A 1 ATOM 356 C CZ . ARG A 1 42 ? 13.205 -4.118 6.953 1.00 34.20 42 A 1 ATOM 357 N NH1 . ARG A 1 42 ? 12.524 -4.291 8.047 1.00 32.83 42 A 1 ATOM 358 N NH2 . ARG A 1 42 ? 14.491 -4.314 6.997 1.00 31.34 42 A 1 ATOM 359 N N . VAL A 1 43 ? 10.027 -3.295 0.753 1.00 41.90 43 A 1 ATOM 360 C CA . VAL A 1 43 ? 10.222 -4.495 -0.070 1.00 42.65 43 A 1 ATOM 361 C C . VAL A 1 43 ? 10.913 -5.535 0.803 1.00 42.33 43 A 1 ATOM 362 O O . VAL A 1 43 ? 11.921 -5.217 1.441 1.00 40.58 43 A 1 ATOM 363 C CB . VAL A 1 43 ? 11.057 -4.195 -1.329 1.00 40.83 43 A 1 ATOM 364 C CG1 . VAL A 1 43 ? 11.108 -5.412 -2.258 1.00 37.42 43 A 1 ATOM 365 C CG2 . VAL A 1 43 ? 10.474 -3.043 -2.132 1.00 38.60 43 A 1 ATOM 366 N N . LEU A 1 44 ? 10.336 -6.725 0.875 1.00 41.96 44 A 1 ATOM 367 C CA . LEU A 1 44 ? 10.963 -7.899 1.489 1.00 43.01 44 A 1 ATOM 368 C C . LEU A 1 44 ? 11.588 -8.774 0.404 1.00 39.99 44 A 1 ATOM 369 O O . LEU A 1 44 ? 10.974 -8.882 -0.683 1.00 36.41 44 A 1 ATOM 370 C CB . LEU A 1 44 ? 9.931 -8.664 2.343 1.00 39.98 44 A 1 ATOM 371 C CG . LEU A 1 44 ? 9.485 -7.942 3.622 1.00 36.91 44 A 1 ATOM 372 C CD1 . LEU A 1 44 ? 8.327 -8.711 4.271 1.00 35.16 44 A 1 ATOM 373 C CD2 . LEU A 1 44 ? 10.611 -7.855 4.655 1.00 35.24 44 A 1 ATOM 374 O OXT . LEU A 1 44 ? 12.667 -9.346 0.720 1.00 37.18 44 A 1 #