# 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_acriia27 # _entry.id acriia27 # 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 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" "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 LYS 2 1 n THR 3 1 n PHE 4 1 n ASN 5 1 n ILE 6 1 n ILE 7 1 n VAL 8 1 n SER 9 1 n GLU 10 1 n SER 11 1 n ALA 12 1 n ASN 13 1 n LEU 14 1 n LYS 15 1 n GLU 16 1 n HIS 17 1 n SER 18 1 n SER 19 1 n GLU 20 1 n LEU 21 1 n VAL 22 1 n ASP 23 1 n ASN 24 1 n ILE 25 1 n ILE 26 1 n TYR 27 1 n LYS 28 1 n VAL 29 1 n GLU 30 1 n ALA 31 1 n LYS 32 1 n ASN 33 1 n ARG 34 1 n ARG 35 1 n GLU 36 1 n ALA 37 1 n PHE 38 1 n LYS 39 1 n LYS 40 1 n ALA 41 1 n ARG 42 1 n GLU 43 1 n GLU 44 1 n TYR 45 1 n SER 46 1 n PHE 47 1 n SER 48 1 n SER 49 1 n LYS 50 1 n TRP 51 1 n LYS 52 1 n PHE 53 1 n ASN 54 1 n MET 55 1 n ARG 56 1 n ASP 57 1 n LEU 58 1 n THR 59 1 n ALA 60 1 n ILE 61 1 n ASP 62 1 n ASN 63 1 n THR 64 1 n HIS 65 1 n ARG 66 1 n ARG 67 1 n ALA 68 1 n TRP 69 1 n GLY 70 1 n ARG 71 1 n ARG 72 1 n TYR 73 1 n LEU 74 1 n ARG 75 1 n VAL 76 1 n GLU 77 1 n GLU 78 1 n ALA 79 # _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 19:49:16)" _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 88.53 _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 83.38 1 1 A LYS 2 2 89.90 1 2 A THR 3 2 95.67 1 3 A PHE 4 2 98.02 1 4 A ASN 5 2 97.29 1 5 A ILE 6 2 97.21 1 6 A ILE 7 2 96.97 1 7 A VAL 8 2 95.57 1 8 A SER 9 2 92.69 1 9 A GLU 10 2 86.94 1 10 A SER 11 2 86.26 1 11 A ALA 12 2 84.67 1 12 A ASN 13 2 80.74 1 13 A LEU 14 2 76.48 1 14 A LYS 15 2 75.10 1 15 A GLU 16 2 78.55 1 16 A HIS 17 2 78.05 1 17 A SER 18 2 81.91 1 18 A SER 19 2 82.42 1 19 A GLU 20 2 81.12 1 20 A LEU 21 2 88.89 1 21 A VAL 22 2 90.65 1 22 A ASP 23 2 94.13 1 23 A ASN 24 2 89.97 1 24 A ILE 25 2 96.90 1 25 A ILE 26 2 94.19 1 26 A TYR 27 2 94.41 1 27 A LYS 28 2 92.54 1 28 A VAL 29 2 93.40 1 29 A GLU 30 2 90.02 1 30 A ALA 31 2 98.02 1 31 A LYS 32 2 89.11 1 32 A ASN 33 2 95.18 1 33 A ARG 34 2 87.80 1 34 A ARG 35 2 83.58 1 35 A GLU 36 2 92.21 1 36 A ALA 37 2 98.00 1 37 A PHE 38 2 96.47 1 38 A LYS 39 2 87.27 1 39 A LYS 40 2 92.07 1 40 A ALA 41 2 96.47 1 41 A ARG 42 2 86.19 1 42 A GLU 43 2 86.42 1 43 A GLU 44 2 92.06 1 44 A TYR 45 2 92.37 1 45 A SER 46 2 87.89 1 46 A PHE 47 2 91.50 1 47 A SER 48 2 89.12 1 48 A SER 49 2 89.67 1 49 A LYS 50 2 84.11 1 50 A TRP 51 2 95.14 1 51 A LYS 52 2 84.86 1 52 A PHE 53 2 93.25 1 53 A ASN 54 2 93.41 1 54 A MET 55 2 89.41 1 55 A ARG 56 2 79.44 1 56 A ASP 57 2 90.07 1 57 A LEU 58 2 96.75 1 58 A THR 59 2 96.32 1 59 A ALA 60 2 97.22 1 60 A ILE 61 2 89.69 1 61 A ASP 62 2 90.43 1 62 A ASN 63 2 82.43 1 63 A THR 64 2 81.74 1 64 A HIS 65 2 75.92 1 65 A ARG 66 2 69.35 1 66 A ARG 67 2 73.44 1 67 A ALA 68 2 82.66 1 68 A TRP 69 2 76.68 1 69 A GLY 70 2 86.97 1 70 A ARG 71 2 81.13 1 71 A ARG 72 2 85.05 1 72 A TYR 73 2 90.94 1 73 A LEU 74 2 95.80 1 74 A ARG 75 2 95.48 1 75 A VAL 76 2 95.52 1 76 A GLU 77 2 92.15 1 77 A GLU 78 2 92.03 1 78 A ALA 79 2 88.08 1 79 # _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 LYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n GLU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ASN . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n GLU . 16 A 16 A 17 1 n HIS . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n ASN . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n ILE . 26 A 26 A 27 1 n TYR . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n VAL . 29 A 29 A 30 1 n GLU . 30 A 30 A 31 1 n ALA . 31 A 31 A 32 1 n LYS . 32 A 32 A 33 1 n ASN . 33 A 33 A 34 1 n ARG . 34 A 34 A 35 1 n ARG . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n ALA . 37 A 37 A 38 1 n PHE . 38 A 38 A 39 1 n LYS . 39 A 39 A 40 1 n LYS . 40 A 40 A 41 1 n ALA . 41 A 41 A 42 1 n ARG . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n GLU . 44 A 44 A 45 1 n TYR . 45 A 45 A 46 1 n SER . 46 A 46 A 47 1 n PHE . 47 A 47 A 48 1 n SER . 48 A 48 A 49 1 n SER . 49 A 49 A 50 1 n LYS . 50 A 50 A 51 1 n TRP . 51 A 51 A 52 1 n LYS . 52 A 52 A 53 1 n PHE . 53 A 53 A 54 1 n ASN . 54 A 54 A 55 1 n MET . 55 A 55 A 56 1 n ARG . 56 A 56 A 57 1 n ASP . 57 A 57 A 58 1 n LEU . 58 A 58 A 59 1 n THR . 59 A 59 A 60 1 n ALA . 60 A 60 A 61 1 n ILE . 61 A 61 A 62 1 n ASP . 62 A 62 A 63 1 n ASN . 63 A 63 A 64 1 n THR . 64 A 64 A 65 1 n HIS . 65 A 65 A 66 1 n ARG . 66 A 66 A 67 1 n ARG . 67 A 67 A 68 1 n ALA . 68 A 68 A 69 1 n TRP . 69 A 69 A 70 1 n GLY . 70 A 70 A 71 1 n ARG . 71 A 71 A 72 1 n ARG . 72 A 72 A 73 1 n TYR . 73 A 73 A 74 1 n LEU . 74 A 74 A 75 1 n ARG . 75 A 75 A 76 1 n VAL . 76 A 76 A 77 1 n GLU . 77 A 77 A 78 1 n GLU . 78 A 78 A 79 1 n ALA . 79 A 79 # _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 ? -20.118 5.594 2.022 1.00 87.02 1 A 1 ATOM 2 C CA . MET A 1 1 ? -18.857 4.841 2.133 1.00 92.43 1 A 1 ATOM 3 C C . MET A 1 1 ? -18.493 4.331 0.751 1.00 94.77 1 A 1 ATOM 4 O O . MET A 1 1 ? -19.396 4.002 -0.013 1.00 92.05 1 A 1 ATOM 5 C CB . MET A 1 1 ? -19.000 3.685 3.126 1.00 85.28 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.658 3.298 3.742 1.00 76.61 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.130 4.417 5.075 1.00 73.40 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.047 3.682 6.455 1.00 65.45 1 A 1 ATOM 9 N N . LYS A 1 2 ? -17.216 4.327 0.404 1.00 96.28 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -16.688 3.798 -0.857 1.00 97.24 2 A 1 ATOM 11 C C . LYS A 1 2 ? -15.785 2.610 -0.552 1.00 97.94 2 A 1 ATOM 12 O O . LYS A 1 2 ? -15.175 2.584 0.516 1.00 97.06 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -15.902 4.883 -1.594 1.00 95.47 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -16.755 6.077 -2.052 1.00 89.94 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -15.839 7.062 -2.769 1.00 86.99 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -16.586 8.111 -3.589 1.00 77.50 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -15.742 8.506 -4.747 1.00 70.70 2 A 1 ATOM 18 N N . THR A 1 3 ? -15.684 1.685 -1.495 1.00 98.43 3 A 1 ATOM 19 C CA . THR A 1 3 ? -14.740 0.570 -1.391 1.00 98.45 3 A 1 ATOM 20 C C . THR A 1 3 ? -13.449 0.928 -2.118 1.00 98.60 3 A 1 ATOM 21 O O . THR A 1 3 ? -13.480 1.509 -3.203 1.00 98.19 3 A 1 ATOM 22 C CB . THR A 1 3 ? -15.352 -0.725 -1.935 1.00 97.66 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -16.597 -0.953 -1.300 1.00 89.42 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -14.477 -1.939 -1.650 1.00 88.97 3 A 1 ATOM 25 N N . PHE A 1 4 ? -12.317 0.608 -1.516 1.00 98.64 4 A 1 ATOM 26 C CA . PHE A 1 4 ? -10.994 0.830 -2.085 1.00 98.60 4 A 1 ATOM 27 C C . PHE A 1 4 ? -10.208 -0.473 -2.119 1.00 98.59 4 A 1 ATOM 28 O O . PHE A 1 4 ? -10.196 -1.227 -1.144 1.00 98.25 4 A 1 ATOM 29 C CB . PHE A 1 4 ? -10.242 1.901 -1.294 1.00 98.45 4 A 1 ATOM 30 C CG . PHE A 1 4 ? -10.865 3.274 -1.376 1.00 98.44 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? -10.473 4.171 -2.383 1.00 97.82 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? -11.866 3.653 -0.465 1.00 97.95 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? -11.071 5.433 -2.484 1.00 97.22 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? -12.474 4.916 -0.564 1.00 97.13 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? -12.077 5.805 -1.576 1.00 97.16 4 A 1 ATOM 36 N N . ASN A 1 5 ? -9.505 -0.690 -3.226 1.00 98.65 5 A 1 ATOM 37 C CA . ASN A 1 5 ? -8.581 -1.797 -3.399 1.00 98.65 5 A 1 ATOM 38 C C . ASN A 1 5 ? -7.171 -1.371 -2.982 1.00 98.64 5 A 1 ATOM 39 O O . ASN A 1 5 ? -6.675 -0.321 -3.396 1.00 98.33 5 A 1 ATOM 40 C CB . ASN A 1 5 ? -8.624 -2.255 -4.861 1.00 98.48 5 A 1 ATOM 41 C CG . ASN A 1 5 ? -9.955 -2.871 -5.254 1.00 98.04 5 A 1 ATOM 42 O OD1 . ASN A 1 5 ? -10.656 -3.477 -4.459 1.00 93.99 5 A 1 ATOM 43 N ND2 . ASN A 1 5 ? -10.334 -2.746 -6.507 1.00 93.57 5 A 1 ATOM 44 N N . ILE A 1 6 ? -6.510 -2.212 -2.204 1.00 98.28 6 A 1 ATOM 45 C CA . ILE A 1 6 ? -5.073 -2.126 -1.956 1.00 98.07 6 A 1 ATOM 46 C C . ILE A 1 6 ? -4.392 -3.068 -2.941 1.00 97.99 6 A 1 ATOM 47 O O . ILE A 1 6 ? -4.596 -4.280 -2.888 1.00 97.65 6 A 1 ATOM 48 C CB . ILE A 1 6 ? -4.732 -2.465 -0.497 1.00 97.90 6 A 1 ATOM 49 C CG1 . ILE A 1 6 ? -5.569 -1.669 0.529 1.00 96.77 6 A 1 ATOM 50 C CG2 . ILE A 1 6 ? -3.234 -2.257 -0.253 1.00 97.30 6 A 1 ATOM 51 C CD1 . ILE A 1 6 ? -5.510 -0.142 0.390 1.00 93.74 6 A 1 ATOM 52 N N . ILE A 1 7 ? -3.621 -2.486 -3.846 1.00 97.90 7 A 1 ATOM 53 C CA . ILE A 1 7 ? -3.027 -3.192 -4.977 1.00 97.91 7 A 1 ATOM 54 C C . ILE A 1 7 ? -1.516 -3.250 -4.784 1.00 97.68 7 A 1 ATOM 55 O O . ILE A 1 7 ? -0.885 -2.233 -4.499 1.00 97.16 7 A 1 ATOM 56 C CB . ILE A 1 7 ? -3.418 -2.517 -6.311 1.00 97.96 7 A 1 ATOM 57 C CG1 . ILE A 1 7 ? -4.956 -2.431 -6.458 1.00 96.61 7 A 1 ATOM 58 C CG2 . ILE A 1 7 ? -2.803 -3.289 -7.491 1.00 96.21 7 A 1 ATOM 59 C CD1 . ILE A 1 7 ? -5.420 -1.584 -7.638 1.00 94.35 7 A 1 ATOM 60 N N . VAL A 1 8 ? -0.955 -4.425 -4.973 1.00 97.10 8 A 1 ATOM 61 C CA . VAL A 1 8 ? 0.491 -4.638 -5.045 1.00 96.64 8 A 1 ATOM 62 C C . VAL A 1 8 ? 0.861 -4.993 -6.475 1.00 96.28 8 A 1 ATOM 63 O O . VAL A 1 8 ? 0.320 -5.939 -7.034 1.00 95.51 8 A 1 ATOM 64 C CB . VAL A 1 8 ? 0.956 -5.719 -4.059 1.00 95.87 8 A 1 ATOM 65 C CG1 . VAL A 1 8 ? 2.427 -6.091 -4.251 1.00 93.52 8 A 1 ATOM 66 C CG2 . VAL A 1 8 ? 0.805 -5.199 -2.629 1.00 94.05 8 A 1 ATOM 67 N N . SER A 1 9 ? 1.791 -4.228 -7.041 1.00 96.14 9 A 1 ATOM 68 C CA . SER A 1 9 ? 2.420 -4.534 -8.323 1.00 95.33 9 A 1 ATOM 69 C C . SER A 1 9 ? 3.764 -5.209 -8.075 1.00 94.54 9 A 1 ATOM 70 O O . SER A 1 9 ? 4.601 -4.684 -7.340 1.00 93.05 9 A 1 ATOM 71 C CB . SER A 1 9 ? 2.629 -3.280 -9.172 1.00 94.50 9 A 1 ATOM 72 O OG . SER A 1 9 ? 1.466 -2.490 -9.257 1.00 82.61 9 A 1 ATOM 73 N N . GLU A 1 10 ? 3.980 -6.351 -8.728 1.00 94.08 10 A 1 ATOM 74 C CA . GLU A 1 10 ? 5.228 -7.108 -8.643 1.00 92.67 10 A 1 ATOM 75 C C . GLU A 1 10 ? 5.595 -7.715 -9.997 1.00 92.33 10 A 1 ATOM 76 O O . GLU A 1 10 ? 4.793 -7.714 -10.927 1.00 90.16 10 A 1 ATOM 77 C CB . GLU A 1 10 ? 5.130 -8.153 -7.525 1.00 89.84 10 A 1 ATOM 78 C CG . GLU A 1 10 ? 4.086 -9.248 -7.746 1.00 83.37 10 A 1 ATOM 79 C CD . GLU A 1 10 ? 3.919 -10.152 -6.508 1.00 83.65 10 A 1 ATOM 80 O OE1 . GLU A 1 10 ? 2.885 -10.840 -6.429 1.00 77.62 10 A 1 ATOM 81 O OE2 . GLU A 1 10 ? 4.804 -10.136 -5.614 1.00 78.70 10 A 1 ATOM 82 N N . SER A 1 11 ? 6.824 -8.196 -10.138 1.00 89.81 11 A 1 ATOM 83 C CA . SER A 1 11 ? 7.273 -8.805 -11.388 1.00 88.60 11 A 1 ATOM 84 C C . SER A 1 11 ? 6.407 -10.011 -11.748 1.00 88.61 11 A 1 ATOM 85 O O . SER A 1 11 ? 6.231 -10.903 -10.921 1.00 86.87 11 A 1 ATOM 86 C CB . SER A 1 11 ? 8.732 -9.234 -11.276 1.00 86.39 11 A 1 ATOM 87 O OG . SER A 1 11 ? 9.183 -9.808 -12.486 1.00 77.28 11 A 1 ATOM 88 N N . ALA A 1 12 ? 5.955 -10.065 -13.002 1.00 86.16 12 A 1 ATOM 89 C CA . ALA A 1 12 ? 5.205 -11.205 -13.534 1.00 85.77 12 A 1 ATOM 90 C C . ALA A 1 12 ? 5.998 -12.519 -13.450 1.00 86.15 12 A 1 ATOM 91 O O . ALA A 1 12 ? 5.431 -13.581 -13.213 1.00 80.62 12 A 1 ATOM 92 C CB . ALA A 1 12 ? 4.837 -10.890 -14.986 1.00 84.67 12 A 1 ATOM 93 N N . ASN A 1 13 ? 7.323 -12.443 -13.603 1.00 85.52 13 A 1 ATOM 94 C CA . ASN A 1 13 ? 8.220 -13.581 -13.449 1.00 85.82 13 A 1 ATOM 95 C C . ASN A 1 13 ? 9.558 -13.148 -12.834 1.00 85.54 13 A 1 ATOM 96 O O . ASN A 1 13 ? 10.495 -12.742 -13.523 1.00 81.53 13 A 1 ATOM 97 C CB . ASN A 1 13 ? 8.376 -14.289 -14.799 1.00 83.24 13 A 1 ATOM 98 C CG . ASN A 1 13 ? 9.093 -15.617 -14.645 1.00 78.46 13 A 1 ATOM 99 O OD1 . ASN A 1 13 ? 9.753 -15.898 -13.654 1.00 72.84 13 A 1 ATOM 100 N ND2 . ASN A 1 13 ? 8.967 -16.481 -15.632 1.00 72.98 13 A 1 ATOM 101 N N . LEU A 1 14 ? 9.640 -13.252 -11.522 1.00 81.28 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 10.835 -12.870 -10.773 1.00 79.84 14 A 1 ATOM 103 C C . LEU A 1 14 ? 12.054 -13.734 -11.125 1.00 81.02 14 A 1 ATOM 104 O O . LEU A 1 14 ? 13.180 -13.238 -11.128 1.00 79.51 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 10.504 -12.956 -9.273 1.00 78.06 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 11.549 -12.268 -8.381 1.00 72.80 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 11.469 -10.750 -8.508 1.00 70.25 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 11.310 -12.637 -6.918 1.00 69.05 14 A 1 ATOM 109 N N . LYS A 1 15 ? 11.833 -15.010 -11.441 1.00 82.82 15 A 1 ATOM 110 C CA . LYS A 1 15 ? 12.905 -15.955 -11.782 1.00 83.26 15 A 1 ATOM 111 C C . LYS A 1 15 ? 13.583 -15.597 -13.105 1.00 84.84 15 A 1 ATOM 112 O O . LYS A 1 15 ? 14.799 -15.733 -13.224 1.00 82.00 15 A 1 ATOM 113 C CB . LYS A 1 15 ? 12.323 -17.374 -11.819 1.00 82.21 15 A 1 ATOM 114 C CG . LYS A 1 15 ? 13.410 -18.442 -11.990 1.00 74.16 15 A 1 ATOM 115 C CD . LYS A 1 15 ? 12.785 -19.840 -12.061 1.00 70.10 15 A 1 ATOM 116 C CE . LYS A 1 15 ? 13.878 -20.883 -12.308 1.00 62.26 15 A 1 ATOM 117 N NZ . LYS A 1 15 ? 13.312 -22.239 -12.533 1.00 54.21 15 A 1 ATOM 118 N N . GLU A 1 16 ? 12.806 -15.097 -14.073 1.00 84.62 16 A 1 ATOM 119 C CA . GLU A 1 16 ? 13.302 -14.655 -15.386 1.00 86.25 16 A 1 ATOM 120 C C . GLU A 1 16 ? 13.677 -13.168 -15.413 1.00 87.17 16 A 1 ATOM 121 O O . GLU A 1 16 ? 14.018 -12.629 -16.463 1.00 83.13 16 A 1 ATOM 122 C CB . GLU A 1 16 ? 12.272 -14.997 -16.463 1.00 85.56 16 A 1 ATOM 123 C CG . GLU A 1 16 ? 12.205 -16.514 -16.677 1.00 77.45 16 A 1 ATOM 124 C CD . GLU A 1 16 ? 11.102 -16.941 -17.642 1.00 71.90 16 A 1 ATOM 125 O OE1 . GLU A 1 16 ? 10.918 -18.175 -17.762 1.00 64.73 16 A 1 ATOM 126 O OE2 . GLU A 1 16 ? 10.383 -16.064 -18.162 1.00 66.12 16 A 1 ATOM 127 N N . HIS A 1 17 ? 13.647 -12.502 -14.272 1.00 85.12 17 A 1 ATOM 128 C CA . HIS A 1 17 ? 13.929 -11.071 -14.146 1.00 85.72 17 A 1 ATOM 129 C C . HIS A 1 17 ? 13.025 -10.204 -15.037 1.00 86.24 17 A 1 ATOM 130 O O . HIS A 1 17 ? 13.476 -9.185 -15.565 1.00 82.31 17 A 1 ATOM 131 C CB . HIS A 1 17 ? 15.428 -10.795 -14.374 1.00 84.77 17 A 1 ATOM 132 C CG . HIS A 1 17 ? 16.387 -11.614 -13.563 1.00 80.50 17 A 1 ATOM 133 N ND1 . HIS A 1 17 ? 17.729 -11.762 -13.857 1.00 71.40 17 A 1 ATOM 134 C CD2 . HIS A 1 17 ? 16.168 -12.307 -12.402 1.00 67.77 17 A 1 ATOM 135 C CE1 . HIS A 1 17 ? 18.290 -12.515 -12.908 1.00 68.50 17 A 1 ATOM 136 N NE2 . HIS A 1 17 ? 17.372 -12.872 -12.000 1.00 68.14 17 A 1 ATOM 137 N N . SER A 1 18 ? 11.757 -10.587 -15.195 1.00 84.02 18 A 1 ATOM 138 C CA . SER A 1 18 ? 10.792 -9.860 -16.009 1.00 84.46 18 A 1 ATOM 139 C C . SER A 1 18 ? 10.628 -8.424 -15.511 1.00 83.23 18 A 1 ATOM 140 O O . SER A 1 18 ? 10.469 -8.179 -14.312 1.00 81.85 18 A 1 ATOM 141 C CB . SER A 1 18 ? 9.442 -10.572 -16.013 1.00 83.03 18 A 1 ATOM 142 O OG . SER A 1 18 ? 8.550 -9.858 -16.844 1.00 74.87 18 A 1 ATOM 143 N N . SER A 1 19 ? 10.647 -7.459 -16.460 1.00 85.16 19 A 1 ATOM 144 C CA . SER A 1 19 ? 10.301 -6.059 -16.196 1.00 84.28 19 A 1 ATOM 145 C C . SER A 1 19 ? 8.793 -5.811 -16.225 1.00 85.73 19 A 1 ATOM 146 O O . SER A 1 19 ? 8.350 -4.733 -15.835 1.00 82.55 19 A 1 ATOM 147 C CB . SER A 1 19 ? 10.990 -5.157 -17.218 1.00 81.76 19 A 1 ATOM 148 O OG . SER A 1 19 ? 10.657 -5.536 -18.536 1.00 75.06 19 A 1 ATOM 149 N N . GLU A 1 20 ? 8.010 -6.772 -16.700 1.00 89.20 20 A 1 ATOM 150 C CA . GLU A 1 20 ? 6.559 -6.704 -16.691 1.00 90.16 20 A 1 ATOM 151 C C . GLU A 1 20 ? 6.046 -6.833 -15.257 1.00 90.69 20 A 1 ATOM 152 O O . GLU A 1 20 ? 6.504 -7.686 -14.487 1.00 88.43 20 A 1 ATOM 153 C CB . GLU A 1 20 ? 5.995 -7.795 -17.606 1.00 88.54 20 A 1 ATOM 154 C CG . GLU A 1 20 ? 4.482 -7.655 -17.803 1.00 77.49 20 A 1 ATOM 155 C CD . GLU A 1 20 ? 3.923 -8.686 -18.794 1.00 72.64 20 A 1 ATOM 156 O OE1 . GLU A 1 20 ? 2.762 -8.497 -19.209 1.00 66.41 20 A 1 ATOM 157 O OE2 . GLU A 1 20 ? 4.655 -9.643 -19.136 1.00 66.50 20 A 1 ATOM 158 N N . LEU A 1 21 ? 5.105 -5.947 -14.904 1.00 91.65 21 A 1 ATOM 159 C CA . LEU A 1 21 ? 4.474 -5.952 -13.593 1.00 91.78 21 A 1 ATOM 160 C C . LEU A 1 21 ? 3.071 -6.540 -13.698 1.00 93.07 21 A 1 ATOM 161 O O . LEU A 1 21 ? 2.326 -6.228 -14.622 1.00 91.90 21 A 1 ATOM 162 C CB . LEU A 1 21 ? 4.448 -4.537 -12.998 1.00 89.71 21 A 1 ATOM 163 C CG . LEU A 1 21 ? 5.829 -3.902 -12.748 1.00 87.14 21 A 1 ATOM 164 C CD1 . LEU A 1 21 ? 5.646 -2.500 -12.163 1.00 83.47 21 A 1 ATOM 165 C CD2 . LEU A 1 21 ? 6.687 -4.707 -11.772 1.00 82.40 21 A 1 ATOM 166 N N . VAL A 1 22 ? 2.705 -7.339 -12.702 1.00 93.18 22 A 1 ATOM 167 C CA . VAL A 1 22 ? 1.338 -7.819 -12.496 1.00 94.37 22 A 1 ATOM 168 C C . VAL A 1 22 ? 0.762 -7.188 -11.240 1.00 95.37 22 A 1 ATOM 169 O O . VAL A 1 22 ? 1.460 -7.024 -10.236 1.00 94.78 22 A 1 ATOM 170 C CB . VAL A 1 22 ? 1.251 -9.350 -12.447 1.00 92.76 22 A 1 ATOM 171 C CG1 . VAL A 1 22 ? 1.594 -9.930 -13.822 1.00 81.41 22 A 1 ATOM 172 C CG2 . VAL A 1 22 ? 2.152 -9.980 -11.383 1.00 82.71 22 A 1 ATOM 173 N N . ASP A 1 23 ? -0.521 -6.835 -11.312 1.00 95.62 23 A 1 ATOM 174 C CA . ASP A 1 23 ? -1.243 -6.212 -10.216 1.00 96.38 23 A 1 ATOM 175 C C . ASP A 1 23 ? -2.090 -7.247 -9.478 1.00 96.62 23 A 1 ATOM 176 O O . ASP A 1 23 ? -2.916 -7.942 -10.069 1.00 95.50 23 A 1 ATOM 177 C CB . ASP A 1 23 ? -2.119 -5.083 -10.756 1.00 95.56 23 A 1 ATOM 178 C CG . ASP A 1 23 ? -1.347 -3.813 -11.115 1.00 93.73 23 A 1 ATOM 179 O OD1 . ASP A 1 23 ? -0.198 -3.622 -10.663 1.00 89.54 23 A 1 ATOM 180 O OD2 . ASP A 1 23 ? -1.963 -2.914 -11.715 1.00 90.09 23 A 1 ATOM 181 N N . ASN A 1 24 ? -1.939 -7.284 -8.161 1.00 97.29 24 A 1 ATOM 182 C CA . ASN A 1 24 ? -2.706 -8.148 -7.277 1.00 96.89 24 A 1 ATOM 183 C C . ASN A 1 24 ? -3.446 -7.309 -6.233 1.00 97.47 24 A 1 ATOM 184 O O . ASN A 1 24 ? -2.836 -6.530 -5.500 1.00 96.57 24 A 1 ATOM 185 C CB . ASN A 1 24 ? -1.754 -9.166 -6.636 1.00 94.83 24 A 1 ATOM 186 C CG . ASN A 1 24 ? -1.230 -10.175 -7.642 1.00 85.24 24 A 1 ATOM 187 O OD1 . ASN A 1 24 ? -1.995 -10.813 -8.342 1.00 76.74 24 A 1 ATOM 188 N ND2 . ASN A 1 24 ? 0.069 -10.366 -7.722 1.00 74.77 24 A 1 ATOM 189 N N . ILE A 1 25 ? -4.767 -7.491 -6.122 1.00 97.50 25 A 1 ATOM 190 C CA . ILE A 1 25 ? -5.553 -6.901 -5.036 1.00 97.71 25 A 1 ATOM 191 C C . ILE A 1 25 ? -5.331 -7.755 -3.784 1.00 97.20 25 A 1 ATOM 192 O O . ILE A 1 25 ? -5.837 -8.869 -3.691 1.00 96.08 25 A 1 ATOM 193 C CB . ILE A 1 25 ? -7.046 -6.782 -5.398 1.00 97.99 25 A 1 ATOM 194 C CG1 . ILE A 1 25 ? -7.253 -5.915 -6.664 1.00 97.18 25 A 1 ATOM 195 C CG2 . ILE A 1 25 ? -7.818 -6.183 -4.201 1.00 97.11 25 A 1 ATOM 196 C CD1 . ILE A 1 25 ? -8.679 -5.970 -7.229 1.00 94.42 25 A 1 ATOM 197 N N . ILE A 1 26 ? -4.606 -7.205 -2.816 1.00 97.48 26 A 1 ATOM 198 C CA . ILE A 1 26 ? -4.286 -7.914 -1.566 1.00 96.72 26 A 1 ATOM 199 C C . ILE A 1 26 ? -5.289 -7.642 -0.449 1.00 96.88 26 A 1 ATOM 200 O O . ILE A 1 26 ? -5.410 -8.441 0.471 1.00 96.17 26 A 1 ATOM 201 C CB . ILE A 1 26 ? -2.854 -7.596 -1.093 1.00 95.79 26 A 1 ATOM 202 C CG1 . ILE A 1 26 ? -2.634 -6.087 -0.819 1.00 92.20 26 A 1 ATOM 203 C CG2 . ILE A 1 26 ? -1.842 -8.131 -2.132 1.00 89.06 26 A 1 ATOM 204 C CD1 . ILE A 1 26 ? -1.414 -5.818 0.056 1.00 89.26 26 A 1 ATOM 205 N N . TYR A 1 27 ? -5.991 -6.499 -0.512 1.00 97.44 27 A 1 ATOM 206 C CA . TYR A 1 27 ? -6.961 -6.120 0.513 1.00 97.65 27 A 1 ATOM 207 C C . TYR A 1 27 ? -8.027 -5.190 -0.055 1.00 98.05 27 A 1 ATOM 208 O O . TYR A 1 27 ? -7.753 -4.393 -0.955 1.00 97.75 27 A 1 ATOM 209 C CB . TYR A 1 27 ? -6.223 -5.469 1.691 1.00 96.94 27 A 1 ATOM 210 C CG . TYR A 1 27 ? -7.036 -5.405 2.963 1.00 95.93 27 A 1 ATOM 211 C CD1 . TYR A 1 27 ? -7.356 -4.166 3.556 1.00 93.50 27 A 1 ATOM 212 C CD2 . TYR A 1 27 ? -7.482 -6.596 3.569 1.00 93.44 27 A 1 ATOM 213 C CE1 . TYR A 1 27 ? -8.112 -4.123 4.739 1.00 90.96 27 A 1 ATOM 214 C CE2 . TYR A 1 27 ? -8.246 -6.562 4.746 1.00 91.42 27 A 1 ATOM 215 C CZ . TYR A 1 27 ? -8.559 -5.325 5.330 1.00 91.52 27 A 1 ATOM 216 O OH . TYR A 1 27 ? -9.314 -5.302 6.478 1.00 88.26 27 A 1 ATOM 217 N N . LYS A 1 28 ? -9.250 -5.287 0.478 1.00 97.98 28 A 1 ATOM 218 C CA . LYS A 1 28 ? -10.355 -4.375 0.184 1.00 98.03 28 A 1 ATOM 219 C C . LYS A 1 28 ? -10.809 -3.725 1.481 1.00 97.81 28 A 1 ATOM 220 O O . LYS A 1 28 ? -11.007 -4.423 2.474 1.00 96.79 28 A 1 ATOM 221 C CB . LYS A 1 28 ? -11.521 -5.098 -0.504 1.00 97.75 28 A 1 ATOM 222 C CG . LYS A 1 28 ? -11.140 -5.624 -1.894 1.00 94.00 28 A 1 ATOM 223 C CD . LYS A 1 28 ? -12.371 -6.144 -2.646 1.00 91.63 28 A 1 ATOM 224 C CE . LYS A 1 28 ? -11.965 -6.580 -4.052 1.00 83.54 28 A 1 ATOM 225 N NZ . LYS A 1 28 ? -13.131 -6.931 -4.899 1.00 75.33 28 A 1 ATOM 226 N N . VAL A 1 29 ? -10.990 -2.398 1.459 1.00 97.88 29 A 1 ATOM 227 C CA . VAL A 1 29 ? -11.372 -1.641 2.651 1.00 97.70 29 A 1 ATOM 228 C C . VAL A 1 29 ? -12.431 -0.604 2.309 1.00 98.10 29 A 1 ATOM 229 O O . VAL A 1 29 ? -12.367 0.054 1.270 1.00 97.49 29 A 1 ATOM 230 C CB . VAL A 1 29 ? -10.126 -1.038 3.321 1.00 95.47 29 A 1 ATOM 231 C CG1 . VAL A 1 29 ? -9.365 -0.064 2.423 1.00 83.14 29 A 1 ATOM 232 C CG2 . VAL A 1 29 ? -10.469 -0.350 4.643 1.00 84.02 29 A 1 ATOM 233 N N . GLU A 1 30 ? -13.411 -0.429 3.191 1.00 98.27 30 A 1 ATOM 234 C CA . GLU A 1 30 ? -14.392 0.642 3.082 1.00 98.14 30 A 1 ATOM 235 C C . GLU A 1 30 ? -13.918 1.889 3.823 1.00 98.08 30 A 1 ATOM 236 O O . GLU A 1 30 ? -13.532 1.849 4.996 1.00 97.23 30 A 1 ATOM 237 C CB . GLU A 1 30 ? -15.759 0.198 3.590 1.00 97.59 30 A 1 ATOM 238 C CG . GLU A 1 30 ? -16.380 -0.890 2.704 1.00 90.28 30 A 1 ATOM 239 C CD . GLU A 1 30 ? -17.854 -1.138 3.042 1.00 82.77 30 A 1 ATOM 240 O OE1 . GLU A 1 30 ? -18.527 -1.768 2.200 1.00 74.29 30 A 1 ATOM 241 O OE2 . GLU A 1 30 ? -18.314 -0.663 4.109 1.00 73.54 30 A 1 ATOM 242 N N . ALA A 1 31 ? -13.975 3.036 3.130 1.00 98.27 31 A 1 ATOM 243 C CA . ALA A 1 31 ? -13.554 4.315 3.682 1.00 98.21 31 A 1 ATOM 244 C C . ALA A 1 31 ? -14.253 5.490 2.986 1.00 98.31 31 A 1 ATOM 245 O O . ALA A 1 31 ? -14.912 5.340 1.960 1.00 97.74 31 A 1 ATOM 246 C CB . ALA A 1 31 ? -12.032 4.408 3.560 1.00 97.58 31 A 1 ATOM 247 N N . LYS A 1 32 ? -14.086 6.705 3.542 1.00 98.23 32 A 1 ATOM 248 C CA . LYS A 1 32 ? -14.613 7.942 2.935 1.00 98.06 32 A 1 ATOM 249 C C . LYS A 1 32 ? -13.752 8.435 1.771 1.00 98.05 32 A 1 ATOM 250 O O . LYS A 1 32 ? -14.252 9.098 0.868 1.00 96.68 32 A 1 ATOM 251 C CB . LYS A 1 32 ? -14.727 9.028 4.006 1.00 97.25 32 A 1 ATOM 252 C CG . LYS A 1 32 ? -15.725 8.669 5.118 1.00 90.35 32 A 1 ATOM 253 C CD . LYS A 1 32 ? -15.716 9.746 6.202 1.00 85.23 32 A 1 ATOM 254 C CE . LYS A 1 32 ? -16.642 9.346 7.345 1.00 73.60 32 A 1 ATOM 255 N NZ . LYS A 1 32 ? -16.508 10.267 8.499 1.00 64.52 32 A 1 ATOM 256 N N . ASN A 1 33 ? -12.451 8.157 1.824 1.00 97.80 33 A 1 ATOM 257 C CA . ASN A 1 33 ? -11.484 8.576 0.811 1.00 97.68 33 A 1 ATOM 258 C C . ASN A 1 33 ? -10.247 7.667 0.821 1.00 97.99 33 A 1 ATOM 259 O O . ASN A 1 33 ? -10.032 6.885 1.751 1.00 97.40 33 A 1 ATOM 260 C CB . ASN A 1 33 ? -11.122 10.056 1.049 1.00 96.58 33 A 1 ATOM 261 C CG . ASN A 1 33 ? -10.529 10.316 2.424 1.00 95.53 33 A 1 ATOM 262 O OD1 . ASN A 1 33 ? -9.498 9.794 2.790 1.00 89.77 33 A 1 ATOM 263 N ND2 . ASN A 1 33 ? -11.167 11.146 3.225 1.00 88.67 33 A 1 ATOM 264 N N . ARG A 1 34 ? -9.400 7.833 -0.188 1.00 98.04 34 A 1 ATOM 265 C CA . ARG A 1 34 ? -8.167 7.044 -0.359 1.00 97.80 34 A 1 ATOM 266 C C . ARG A 1 34 ? -7.222 7.128 0.844 1.00 97.87 34 A 1 ATOM 267 O O . ARG A 1 34 ? -6.587 6.141 1.188 1.00 97.11 34 A 1 ATOM 268 C CB . ARG A 1 34 ? -7.418 7.496 -1.622 1.00 96.86 34 A 1 ATOM 269 C CG . ARG A 1 34 ? -8.156 7.147 -2.924 1.00 90.23 34 A 1 ATOM 270 C CD . ARG A 1 34 ? -7.407 7.666 -4.161 1.00 89.62 34 A 1 ATOM 271 N NE . ARG A 1 34 ? -6.084 7.047 -4.319 1.00 81.72 34 A 1 ATOM 272 C CZ . ARG A 1 34 ? -5.054 7.524 -5.002 1.00 78.03 34 A 1 ATOM 273 N NH1 . ARG A 1 34 ? -5.122 8.642 -5.669 1.00 70.03 34 A 1 ATOM 274 N NH2 . ARG A 1 34 ? -3.925 6.872 -5.036 1.00 68.45 34 A 1 ATOM 275 N N . ARG A 1 35 ? -7.123 8.296 1.494 1.00 97.44 35 A 1 ATOM 276 C CA . ARG A 1 35 ? -6.239 8.481 2.656 1.00 97.35 35 A 1 ATOM 277 C C . ARG A 1 35 ? -6.716 7.678 3.863 1.00 97.52 35 A 1 ATOM 278 O O . ARG A 1 35 ? -5.892 7.057 4.532 1.00 96.96 35 A 1 ATOM 279 C CB . ARG A 1 35 ? -6.116 9.977 2.973 1.00 96.51 35 A 1 ATOM 280 C CG . ARG A 1 35 ? -5.141 10.247 4.133 1.00 90.46 35 A 1 ATOM 281 C CD . ARG A 1 35 ? -4.989 11.748 4.402 1.00 85.65 35 A 1 ATOM 282 N NE . ARG A 1 35 ? -4.378 12.461 3.266 1.00 75.16 35 A 1 ATOM 283 C CZ . ARG A 1 35 ? -3.083 12.565 2.998 1.00 66.25 35 A 1 ATOM 284 N NH1 . ARG A 1 35 ? -2.168 12.081 3.792 1.00 58.92 35 A 1 ATOM 285 N NH2 . ARG A 1 35 ? -2.684 13.164 1.909 1.00 57.16 35 A 1 ATOM 286 N N . GLU A 1 36 ? -8.021 7.694 4.128 1.00 97.63 36 A 1 ATOM 287 C CA . GLU A 1 36 ? -8.606 6.888 5.198 1.00 97.81 36 A 1 ATOM 288 C C . GLU A 1 36 ? -8.479 5.387 4.884 1.00 97.89 36 A 1 ATOM 289 O O . GLU A 1 36 ? -8.043 4.630 5.747 1.00 97.60 36 A 1 ATOM 290 C CB . GLU A 1 36 ? -10.064 7.311 5.422 1.00 97.52 36 A 1 ATOM 291 C CG . GLU A 1 36 ? -10.693 6.618 6.643 1.00 91.39 36 A 1 ATOM 292 C CD . GLU A 1 36 ? -12.142 7.080 6.880 1.00 87.45 36 A 1 ATOM 293 O OE1 . GLU A 1 36 ? -12.521 7.323 8.042 1.00 81.97 36 A 1 ATOM 294 O OE2 . GLU A 1 36 ? -12.898 7.201 5.891 1.00 80.63 36 A 1 ATOM 295 N N . ALA A 1 37 ? -8.750 4.992 3.646 1.00 98.14 37 A 1 ATOM 296 C CA . ALA A 1 37 ? -8.563 3.614 3.197 1.00 98.12 37 A 1 ATOM 297 C C . ALA A 1 37 ? -7.124 3.128 3.406 1.00 97.99 37 A 1 ATOM 298 O O . ALA A 1 37 ? -6.902 2.046 3.942 1.00 97.65 37 A 1 ATOM 299 C CB . ALA A 1 37 ? -8.956 3.522 1.720 1.00 98.10 37 A 1 ATOM 300 N N . PHE A 1 38 ? -6.141 3.954 3.052 1.00 97.82 38 A 1 ATOM 301 C CA . PHE A 1 38 ? -4.730 3.614 3.212 1.00 97.61 38 A 1 ATOM 302 C C . PHE A 1 38 ? -4.317 3.478 4.682 1.00 97.33 38 A 1 ATOM 303 O O . PHE A 1 38 ? -3.566 2.574 5.030 1.00 96.66 38 A 1 ATOM 304 C CB . PHE A 1 38 ? -3.888 4.666 2.503 1.00 97.26 38 A 1 ATOM 305 C CG . PHE A 1 38 ? -2.438 4.279 2.341 1.00 97.26 38 A 1 ATOM 306 C CD1 . PHE A 1 38 ? -1.424 5.039 2.948 1.00 95.98 38 A 1 ATOM 307 C CD2 . PHE A 1 38 ? -2.094 3.185 1.529 1.00 95.99 38 A 1 ATOM 308 C CE1 . PHE A 1 38 ? -0.080 4.725 2.717 1.00 94.88 38 A 1 ATOM 309 C CE2 . PHE A 1 38 ? -0.752 2.867 1.302 1.00 94.91 38 A 1 ATOM 310 C CZ . PHE A 1 38 ? 0.256 3.644 1.889 1.00 95.51 38 A 1 ATOM 311 N N . LYS A 1 39 ? -4.834 4.356 5.552 1.00 96.68 39 A 1 ATOM 312 C CA . LYS A 1 39 ? -4.604 4.255 6.998 1.00 96.58 39 A 1 ATOM 313 C C . LYS A 1 39 ? -5.207 2.974 7.569 1.00 96.48 39 A 1 ATOM 314 O O . LYS A 1 39 ? -4.477 2.217 8.202 1.00 95.79 39 A 1 ATOM 315 C CB . LYS A 1 39 ? -5.168 5.475 7.725 1.00 96.09 39 A 1 ATOM 316 C CG . LYS A 1 39 ? -4.321 6.733 7.515 1.00 84.68 39 A 1 ATOM 317 C CD . LYS A 1 39 ? -4.959 7.885 8.289 1.00 82.30 39 A 1 ATOM 318 C CE . LYS A 1 39 ? -4.128 9.157 8.198 1.00 71.96 39 A 1 ATOM 319 N NZ . LYS A 1 39 ? -4.672 10.195 9.109 1.00 64.85 39 A 1 ATOM 320 N N . LYS A 1 40 ? -6.481 2.710 7.282 1.00 97.09 40 A 1 ATOM 321 C CA . LYS A 1 40 ? -7.164 1.493 7.730 1.00 97.05 40 A 1 ATOM 322 C C . LYS A 1 40 ? -6.449 0.233 7.251 1.00 96.78 40 A 1 ATOM 323 O O . LYS A 1 40 ? -6.170 -0.643 8.056 1.00 95.74 40 A 1 ATOM 324 C CB . LYS A 1 40 ? -8.611 1.473 7.238 1.00 96.89 40 A 1 ATOM 325 C CG . LYS A 1 40 ? -9.519 2.440 8.004 1.00 90.92 40 A 1 ATOM 326 C CD . LYS A 1 40 ? -10.951 2.234 7.511 1.00 90.53 40 A 1 ATOM 327 C CE . LYS A 1 40 ? -11.950 3.065 8.308 1.00 84.79 40 A 1 ATOM 328 N NZ . LYS A 1 40 ? -13.331 2.769 7.856 1.00 78.88 40 A 1 ATOM 329 N N . ALA A 1 41 ? -6.068 0.173 5.982 1.00 97.35 41 A 1 ATOM 330 C CA . ALA A 1 41 ? -5.335 -0.969 5.452 1.00 96.80 41 A 1 ATOM 331 C C . ALA A 1 41 ? -4.016 -1.220 6.194 1.00 96.19 41 A 1 ATOM 332 O O . ALA A 1 41 ? -3.666 -2.366 6.452 1.00 95.25 41 A 1 ATOM 333 C CB . ALA A 1 41 ? -5.086 -0.742 3.962 1.00 96.74 41 A 1 ATOM 334 N N . ARG A 1 42 ? -3.290 -0.167 6.579 1.00 95.99 42 A 1 ATOM 335 C CA . ARG A 1 42 ? -2.051 -0.304 7.362 1.00 95.21 42 A 1 ATOM 336 C C . ARG A 1 42 ? -2.282 -0.833 8.776 1.00 94.89 42 A 1 ATOM 337 O O . ARG A 1 42 ? -1.360 -1.420 9.335 1.00 93.20 42 A 1 ATOM 338 C CB . ARG A 1 42 ? -1.325 1.038 7.454 1.00 93.77 42 A 1 ATOM 339 C CG . ARG A 1 42 ? -0.672 1.448 6.136 1.00 86.64 42 A 1 ATOM 340 C CD . ARG A 1 42 ? 0.060 2.780 6.299 1.00 85.51 42 A 1 ATOM 341 N NE . ARG A 1 42 ? 1.190 2.629 7.232 1.00 81.38 42 A 1 ATOM 342 C CZ . ARG A 1 42 ? 1.917 3.604 7.752 1.00 77.48 42 A 1 ATOM 343 N NH1 . ARG A 1 42 ? 1.707 4.855 7.450 1.00 73.38 42 A 1 ATOM 344 N NH2 . ARG A 1 42 ? 2.878 3.321 8.592 1.00 70.64 42 A 1 ATOM 345 N N . GLU A 1 43 ? -3.447 -0.564 9.349 1.00 94.83 43 A 1 ATOM 346 C CA . GLU A 1 43 ? -3.819 -1.003 10.698 1.00 94.75 43 A 1 ATOM 347 C C . GLU A 1 43 ? -4.395 -2.427 10.686 1.00 94.91 43 A 1 ATOM 348 O O . GLU A 1 43 ? -4.078 -3.231 11.558 1.00 93.24 43 A 1 ATOM 349 C CB . GLU A 1 43 ? -4.824 0.001 11.286 1.00 93.73 43 A 1 ATOM 350 C CG . GLU A 1 43 ? -4.174 1.366 11.583 1.00 84.84 43 A 1 ATOM 351 C CD . GLU A 1 43 ? -5.164 2.502 11.904 1.00 77.75 43 A 1 ATOM 352 O OE1 . GLU A 1 43 ? -4.691 3.666 11.975 1.00 71.99 43 A 1 ATOM 353 O OE2 . GLU A 1 43 ? -6.377 2.244 12.035 1.00 71.74 43 A 1 ATOM 354 N N . GLU A 1 44 ? -5.204 -2.744 9.670 1.00 96.08 44 A 1 ATOM 355 C CA . GLU A 1 44 ? -5.961 -3.993 9.581 1.00 95.62 44 A 1 ATOM 356 C C . GLU A 1 44 ? -5.201 -5.112 8.853 1.00 95.36 44 A 1 ATOM 357 O O . GLU A 1 44 ? -5.350 -6.291 9.183 1.00 93.22 44 A 1 ATOM 358 C CB . GLU A 1 44 ? -7.289 -3.717 8.860 1.00 94.53 44 A 1 ATOM 359 C CG . GLU A 1 44 ? -8.234 -2.773 9.631 1.00 90.99 44 A 1 ATOM 360 C CD . GLU A 1 44 ? -9.449 -2.303 8.805 1.00 89.92 44 A 1 ATOM 361 O OE1 . GLU A 1 44 ? -10.202 -1.439 9.307 1.00 85.97 44 A 1 ATOM 362 O OE2 . GLU A 1 44 ? -9.623 -2.764 7.651 1.00 86.88 44 A 1 ATOM 363 N N . TYR A 1 45 ? -4.387 -4.769 7.848 1.00 94.90 45 A 1 ATOM 364 C CA . TYR A 1 45 ? -3.613 -5.744 7.085 1.00 94.36 45 A 1 ATOM 365 C C . TYR A 1 45 ? -2.191 -5.872 7.634 1.00 92.88 45 A 1 ATOM 366 O O . TYR A 1 45 ? -1.482 -4.879 7.817 1.00 88.80 45 A 1 ATOM 367 C CB . TYR A 1 45 ? -3.633 -5.383 5.600 1.00 94.23 45 A 1 ATOM 368 C CG . TYR A 1 45 ? -3.024 -6.446 4.712 1.00 94.66 45 A 1 ATOM 369 C CD1 . TYR A 1 45 ? -1.664 -6.401 4.367 1.00 92.44 45 A 1 ATOM 370 C CD2 . TYR A 1 45 ? -3.824 -7.508 4.239 1.00 92.50 45 A 1 ATOM 371 C CE1 . TYR A 1 45 ? -1.103 -7.399 3.558 1.00 90.59 45 A 1 ATOM 372 C CE2 . TYR A 1 45 ? -3.271 -8.509 3.430 1.00 91.11 45 A 1 ATOM 373 C CZ . TYR A 1 45 ? -1.910 -8.451 3.089 1.00 91.64 45 A 1 ATOM 374 O OH . TYR A 1 45 ? -1.361 -9.429 2.295 1.00 90.37 45 A 1 ATOM 375 N N . SER A 1 46 ? -1.750 -7.095 7.846 1.00 92.73 46 A 1 ATOM 376 C CA . SER A 1 46 ? -0.421 -7.406 8.378 1.00 91.43 46 A 1 ATOM 377 C C . SER A 1 46 ? 0.673 -7.251 7.314 1.00 91.72 46 A 1 ATOM 378 O O . SER A 1 46 ? 1.197 -8.233 6.781 1.00 87.40 46 A 1 ATOM 379 C CB . SER A 1 46 ? -0.425 -8.805 9.010 1.00 88.54 46 A 1 ATOM 380 O OG . SER A 1 46 ? -0.782 -9.787 8.068 1.00 75.51 46 A 1 ATOM 381 N N . PHE A 1 47 ? 1.025 -6.004 6.985 1.00 92.66 47 A 1 ATOM 382 C CA . PHE A 1 47 ? 2.130 -5.729 6.074 1.00 92.26 47 A 1 ATOM 383 C C . PHE A 1 47 ? 3.467 -6.170 6.667 1.00 90.74 47 A 1 ATOM 384 O O . PHE A 1 47 ? 3.765 -5.951 7.841 1.00 86.35 47 A 1 ATOM 385 C CB . PHE A 1 47 ? 2.170 -4.251 5.691 1.00 92.42 47 A 1 ATOM 386 C CG . PHE A 1 47 ? 1.022 -3.841 4.801 1.00 93.64 47 A 1 ATOM 387 C CD1 . PHE A 1 47 ? 0.996 -4.228 3.451 1.00 92.05 47 A 1 ATOM 388 C CD2 . PHE A 1 47 ? -0.043 -3.092 5.328 1.00 92.11 47 A 1 ATOM 389 C CE1 . PHE A 1 47 ? -0.090 -3.884 2.636 1.00 91.07 47 A 1 ATOM 390 C CE2 . PHE A 1 47 ? -1.131 -2.745 4.515 1.00 91.23 47 A 1 ATOM 391 C CZ . PHE A 1 47 ? -1.156 -3.144 3.168 1.00 91.97 47 A 1 ATOM 392 N N . SER A 1 48 ? 4.328 -6.728 5.813 1.00 91.72 48 A 1 ATOM 393 C CA . SER A 1 48 ? 5.716 -7.001 6.178 1.00 90.98 48 A 1 ATOM 394 C C . SER A 1 48 ? 6.446 -5.707 6.552 1.00 91.95 48 A 1 ATOM 395 O O . SER A 1 48 ? 6.266 -4.676 5.907 1.00 90.66 48 A 1 ATOM 396 C CB . SER A 1 48 ? 6.426 -7.683 5.007 1.00 88.47 48 A 1 ATOM 397 O OG . SER A 1 48 ? 7.807 -7.867 5.275 1.00 80.97 48 A 1 ATOM 398 N N . SER A 1 49 ? 7.344 -5.771 7.521 1.00 91.22 49 A 1 ATOM 399 C CA . SER A 1 49 ? 8.219 -4.659 7.928 1.00 91.59 49 A 1 ATOM 400 C C . SER A 1 49 ? 9.128 -4.125 6.809 1.00 92.40 49 A 1 ATOM 401 O O . SER A 1 49 ? 9.707 -3.048 6.942 1.00 90.12 49 A 1 ATOM 402 C CB . SER A 1 49 ? 9.085 -5.114 9.105 1.00 90.06 49 A 1 ATOM 403 O OG . SER A 1 49 ? 9.858 -6.244 8.741 1.00 82.63 49 A 1 ATOM 404 N N . LYS A 1 50 ? 9.240 -4.839 5.693 1.00 92.04 50 A 1 ATOM 405 C CA . LYS A 1 50 ? 10.015 -4.427 4.515 1.00 92.13 50 A 1 ATOM 406 C C . LYS A 1 50 ? 9.376 -3.266 3.747 1.00 93.46 50 A 1 ATOM 407 O O . LYS A 1 50 ? 10.072 -2.567 3.012 1.00 92.08 50 A 1 ATOM 408 C CB . LYS A 1 50 ? 10.190 -5.634 3.586 1.00 89.98 50 A 1 ATOM 409 C CG . LYS A 1 50 ? 11.008 -6.759 4.235 1.00 84.16 50 A 1 ATOM 410 C CD . LYS A 1 50 ? 11.144 -7.931 3.264 1.00 78.49 50 A 1 ATOM 411 C CE . LYS A 1 50 ? 12.002 -9.036 3.879 1.00 71.12 50 A 1 ATOM 412 N NZ . LYS A 1 50 ? 12.210 -10.150 2.924 1.00 63.50 50 A 1 ATOM 413 N N . TRP A 1 51 ? 8.068 -3.051 3.909 1.00 94.88 51 A 1 ATOM 414 C CA . TRP A 1 51 ? 7.356 -1.985 3.224 1.00 95.68 51 A 1 ATOM 415 C C . TRP A 1 51 ? 7.689 -0.614 3.807 1.00 95.90 51 A 1 ATOM 416 O O . TRP A 1 51 ? 7.535 -0.364 5.005 1.00 95.02 51 A 1 ATOM 417 C CB . TRP A 1 51 ? 5.856 -2.244 3.271 1.00 95.79 51 A 1 ATOM 418 C CG . TRP A 1 51 ? 5.407 -3.355 2.370 1.00 95.78 51 A 1 ATOM 419 C CD1 . TRP A 1 51 ? 5.117 -4.617 2.748 1.00 94.73 51 A 1 ATOM 420 C CD2 . TRP A 1 51 ? 5.195 -3.292 0.934 1.00 95.81 51 A 1 ATOM 421 N NE1 . TRP A 1 51 ? 4.727 -5.350 1.638 1.00 94.64 51 A 1 ATOM 422 C CE2 . TRP A 1 51 ? 4.757 -4.573 0.504 1.00 95.28 51 A 1 ATOM 423 C CE3 . TRP A 1 51 ? 5.325 -2.273 -0.035 1.00 95.08 51 A 1 ATOM 424 C CZ2 . TRP A 1 51 ? 4.446 -4.839 -0.845 1.00 94.36 51 A 1 ATOM 425 C CZ3 . TRP A 1 51 ? 5.015 -2.539 -1.379 1.00 94.57 51 A 1 ATOM 426 C CH2 . TRP A 1 51 ? 4.582 -3.806 -1.776 1.00 94.50 51 A 1 ATOM 427 N N . LYS A 1 52 ? 8.071 0.330 2.924 1.00 95.78 52 A 1 ATOM 428 C CA . LYS A 1 52 ? 8.235 1.748 3.241 1.00 95.61 52 A 1 ATOM 429 C C . LYS A 1 52 ? 7.030 2.516 2.716 1.00 96.11 52 A 1 ATOM 430 O O . LYS A 1 52 ? 6.851 2.628 1.508 1.00 95.44 52 A 1 ATOM 431 C CB . LYS A 1 52 ? 9.542 2.282 2.657 1.00 94.51 52 A 1 ATOM 432 C CG . LYS A 1 52 ? 10.767 1.626 3.321 1.00 85.52 52 A 1 ATOM 433 C CD . LYS A 1 52 ? 12.054 2.212 2.745 1.00 76.72 52 A 1 ATOM 434 C CE . LYS A 1 52 ? 13.257 1.517 3.380 1.00 66.84 52 A 1 ATOM 435 N NZ . LYS A 1 52 ? 14.526 1.938 2.752 1.00 57.25 52 A 1 ATOM 436 N N . PHE A 1 53 ? 6.228 3.063 3.619 1.00 96.37 53 A 1 ATOM 437 C CA . PHE A 1 53 ? 5.001 3.779 3.291 1.00 96.23 53 A 1 ATOM 438 C C . PHE A 1 53 ? 5.254 5.269 3.068 1.00 96.08 53 A 1 ATOM 439 O O . PHE A 1 53 ? 5.954 5.913 3.853 1.00 94.73 53 A 1 ATOM 440 C CB . PHE A 1 53 ? 3.968 3.552 4.397 1.00 95.40 53 A 1 ATOM 441 C CG . PHE A 1 53 ? 3.460 2.126 4.459 1.00 94.57 53 A 1 ATOM 442 C CD1 . PHE A 1 53 ? 2.299 1.761 3.760 1.00 91.79 53 A 1 ATOM 443 C CD2 . PHE A 1 53 ? 4.159 1.151 5.190 1.00 91.72 53 A 1 ATOM 444 C CE1 . PHE A 1 53 ? 1.839 0.441 3.784 1.00 89.53 53 A 1 ATOM 445 C CE2 . PHE A 1 53 ? 3.706 -0.176 5.210 1.00 89.59 53 A 1 ATOM 446 C CZ . PHE A 1 53 ? 2.543 -0.529 4.505 1.00 89.74 53 A 1 ATOM 447 N N . ASN A 1 54 ? 4.615 5.841 2.037 1.00 96.67 54 A 1 ATOM 448 C CA . ASN A 1 54 ? 4.547 7.272 1.776 1.00 96.71 54 A 1 ATOM 449 C C . ASN A 1 54 ? 3.099 7.755 1.955 1.00 96.85 54 A 1 ATOM 450 O O . ASN A 1 54 ? 2.245 7.557 1.099 1.00 95.99 54 A 1 ATOM 451 C CB . ASN A 1 54 ? 5.118 7.570 0.382 1.00 95.87 54 A 1 ATOM 452 C CG . ASN A 1 54 ? 5.159 9.061 0.088 1.00 92.93 54 A 1 ATOM 453 O OD1 . ASN A 1 54 ? 4.572 9.880 0.778 1.00 86.82 54 A 1 ATOM 454 N ND2 . ASN A 1 54 ? 5.861 9.450 -0.951 1.00 85.41 54 A 1 ATOM 455 N N . MET A 1 55 ? 2.827 8.427 3.072 1.00 95.86 55 A 1 ATOM 456 C CA . MET A 1 55 ? 1.489 8.927 3.400 1.00 95.24 55 A 1 ATOM 457 C C . MET A 1 55 ? 1.070 10.162 2.591 1.00 95.77 55 A 1 ATOM 458 O O . MET A 1 55 ? -0.113 10.524 2.616 1.00 93.92 55 A 1 ATOM 459 C CB . MET A 1 55 ? 1.399 9.239 4.903 1.00 93.32 55 A 1 ATOM 460 C CG . MET A 1 55 ? 1.504 7.984 5.776 1.00 88.13 55 A 1 ATOM 461 S SD . MET A 1 55 ? 0.259 6.695 5.455 1.00 81.18 55 A 1 ATOM 462 C CE . MET A 1 55 ? -1.280 7.555 5.850 1.00 71.83 55 A 1 ATOM 463 N N . ARG A 1 56 ? 2.000 10.842 1.903 1.00 94.83 56 A 1 ATOM 464 C CA . ARG A 1 56 ? 1.680 11.976 1.024 1.00 95.47 56 A 1 ATOM 465 C C . ARG A 1 56 ? 1.066 11.477 -0.277 1.00 96.23 56 A 1 ATOM 466 O O . ARG A 1 56 ? -0.026 11.917 -0.626 1.00 94.82 56 A 1 ATOM 467 C CB . ARG A 1 56 ? 2.923 12.840 0.756 1.00 94.53 56 A 1 ATOM 468 C CG . ARG A 1 56 ? 3.387 13.599 2.008 1.00 83.20 56 A 1 ATOM 469 C CD . ARG A 1 56 ? 4.587 14.484 1.673 1.00 79.66 56 A 1 ATOM 470 N NE . ARG A 1 56 ? 5.030 15.278 2.838 1.00 68.71 56 A 1 ATOM 471 C CZ . ARG A 1 56 ? 6.063 16.104 2.862 1.00 60.97 56 A 1 ATOM 472 N NH1 . ARG A 1 56 ? 6.819 16.285 1.813 1.00 54.02 56 A 1 ATOM 473 N NH2 . ARG A 1 56 ? 6.354 16.767 3.944 1.00 51.35 56 A 1 ATOM 474 N N . ASP A 1 57 ? 1.723 10.523 -0.907 1.00 96.20 57 A 1 ATOM 475 C CA . ASP A 1 57 ? 1.307 9.987 -2.207 1.00 96.40 57 A 1 ATOM 476 C C . ASP A 1 57 ? 0.339 8.798 -2.081 1.00 97.28 57 A 1 ATOM 477 O O . ASP A 1 57 ? -0.265 8.373 -3.064 1.00 96.07 57 A 1 ATOM 478 C CB . ASP A 1 57 ? 2.557 9.608 -3.011 1.00 94.26 57 A 1 ATOM 479 C CG . ASP A 1 57 ? 3.567 10.757 -3.116 1.00 83.68 57 A 1 ATOM 480 O OD1 . ASP A 1 57 ? 3.141 11.935 -3.092 1.00 78.06 57 A 1 ATOM 481 O OD2 . ASP A 1 57 ? 4.776 10.445 -3.108 1.00 78.61 57 A 1 ATOM 482 N N . LEU A 1 58 ? 0.137 8.287 -0.872 1.00 97.19 58 A 1 ATOM 483 C CA . LEU A 1 58 ? -0.649 7.086 -0.572 1.00 97.54 58 A 1 ATOM 484 C C . LEU A 1 58 ? -0.121 5.859 -1.322 1.00 97.81 58 A 1 ATOM 485 O O . LEU A 1 58 ? -0.879 5.117 -1.951 1.00 97.15 58 A 1 ATOM 486 C CB . LEU A 1 58 ? -2.151 7.331 -0.787 1.00 97.29 58 A 1 ATOM 487 C CG . LEU A 1 58 ? -2.707 8.576 -0.084 1.00 96.31 58 A 1 ATOM 488 C CD1 . LEU A 1 58 ? -4.183 8.736 -0.452 1.00 95.48 58 A 1 ATOM 489 C CD2 . LEU A 1 58 ? -2.596 8.472 1.439 1.00 95.24 58 A 1 ATOM 490 N N . THR A 1 59 ? 1.189 5.679 -1.243 1.00 97.81 59 A 1 ATOM 491 C CA . THR A 1 59 ? 1.909 4.567 -1.860 1.00 97.82 59 A 1 ATOM 492 C C . THR A 1 59 ? 2.825 3.892 -0.843 1.00 97.86 59 A 1 ATOM 493 O O . THR A 1 59 ? 3.075 4.411 0.252 1.00 97.07 59 A 1 ATOM 494 C CB . THR A 1 59 ? 2.712 5.020 -3.089 1.00 97.09 59 A 1 ATOM 495 O OG1 . THR A 1 59 ? 3.675 5.982 -2.729 1.00 93.59 59 A 1 ATOM 496 C CG2 . THR A 1 59 ? 1.835 5.615 -4.185 1.00 92.97 59 A 1 ATOM 497 N N . ALA A 1 60 ? 3.329 2.734 -1.199 1.00 97.64 60 A 1 ATOM 498 C CA . ALA A 1 60 ? 4.425 2.098 -0.491 1.00 97.49 60 A 1 ATOM 499 C C . ALA A 1 60 ? 5.349 1.375 -1.469 1.00 97.34 60 A 1 ATOM 500 O O . ALA A 1 60 ? 4.963 1.044 -2.588 1.00 96.67 60 A 1 ATOM 501 C CB . ALA A 1 60 ? 3.877 1.167 0.601 1.00 96.95 60 A 1 ATOM 502 N N . ILE A 1 61 ? 6.577 1.138 -1.035 1.00 96.75 61 A 1 ATOM 503 C CA . ILE A 1 61 ? 7.578 0.406 -1.803 1.00 96.12 61 A 1 ATOM 504 C C . ILE A 1 61 ? 8.293 -0.612 -0.916 1.00 96.02 61 A 1 ATOM 505 O O . ILE A 1 61 ? 8.733 -0.293 0.191 1.00 95.10 61 A 1 ATOM 506 C CB . ILE A 1 61 ? 8.532 1.384 -2.523 1.00 94.57 61 A 1 ATOM 507 C CG1 . ILE A 1 61 ? 9.435 0.629 -3.519 1.00 81.31 61 A 1 ATOM 508 C CG2 . ILE A 1 61 ? 9.361 2.231 -1.532 1.00 80.82 61 A 1 ATOM 509 C CD1 . ILE A 1 61 ? 10.264 1.548 -4.423 1.00 76.80 61 A 1 ATOM 510 N N . ASP A 1 62 ? 8.431 -1.820 -1.429 1.00 95.45 62 A 1 ATOM 511 C CA . ASP A 1 62 ? 9.385 -2.801 -0.931 1.00 93.92 62 A 1 ATOM 512 C C . ASP A 1 62 ? 10.621 -2.774 -1.835 1.00 92.22 62 A 1 ATOM 513 O O . ASP A 1 62 ? 10.631 -3.328 -2.933 1.00 88.71 62 A 1 ATOM 514 C CB . ASP A 1 62 ? 8.740 -4.188 -0.854 1.00 92.26 62 A 1 ATOM 515 C CG . ASP A 1 62 ? 9.712 -5.281 -0.396 1.00 89.54 62 A 1 ATOM 516 O OD1 . ASP A 1 62 ? 10.879 -4.964 -0.058 1.00 85.91 62 A 1 ATOM 517 O OD2 . ASP A 1 62 ? 9.285 -6.452 -0.379 1.00 85.39 62 A 1 ATOM 518 N N . ASN A 1 63 ? 11.661 -2.085 -1.372 1.00 91.63 63 A 1 ATOM 519 C CA . ASN A 1 63 ? 12.923 -1.925 -2.090 1.00 88.88 63 A 1 ATOM 520 C C . ASN A 1 63 ? 14.057 -2.787 -1.520 1.00 88.49 63 A 1 ATOM 521 O O . ASN A 1 63 ? 15.232 -2.450 -1.693 1.00 82.43 63 A 1 ATOM 522 C CB . ASN A 1 63 ? 13.272 -0.434 -2.192 1.00 84.59 63 A 1 ATOM 523 C CG . ASN A 1 63 ? 13.667 0.222 -0.882 1.00 79.65 63 A 1 ATOM 524 O OD1 . ASN A 1 63 ? 13.549 -0.283 0.219 1.00 69.94 63 A 1 ATOM 525 N ND2 . ASN A 1 63 ? 14.158 1.445 -0.977 1.00 73.81 63 A 1 ATOM 526 N N . THR A 1 64 ? 13.710 -3.872 -0.840 1.00 88.25 64 A 1 ATOM 527 C CA . THR A 1 64 ? 14.711 -4.804 -0.292 1.00 85.65 64 A 1 ATOM 528 C C . THR A 1 64 ? 15.523 -5.478 -1.389 1.00 84.58 64 A 1 ATOM 529 O O . THR A 1 64 ? 16.715 -5.739 -1.197 1.00 78.91 64 A 1 ATOM 530 C CB . THR A 1 64 ? 14.065 -5.881 0.588 1.00 83.74 64 A 1 ATOM 531 O OG1 . THR A 1 64 ? 13.057 -6.600 -0.088 1.00 76.34 64 A 1 ATOM 532 C CG2 . THR A 1 64 ? 13.464 -5.274 1.853 1.00 74.74 64 A 1 ATOM 533 N N . HIS A 1 65 ? 14.915 -5.690 -2.565 1.00 84.20 65 A 1 ATOM 534 C CA . HIS A 1 65 ? 15.632 -6.206 -3.717 1.00 83.20 65 A 1 ATOM 535 C C . HIS A 1 65 ? 16.456 -5.100 -4.401 1.00 83.62 65 A 1 ATOM 536 O O . HIS A 1 65 ? 15.986 -3.996 -4.657 1.00 81.19 65 A 1 ATOM 537 C CB . HIS A 1 65 ? 14.660 -6.892 -4.682 1.00 81.37 65 A 1 ATOM 538 C CG . HIS A 1 65 ? 15.401 -7.822 -5.599 1.00 75.99 65 A 1 ATOM 539 N ND1 . HIS A 1 65 ? 16.068 -7.476 -6.750 1.00 68.72 65 A 1 ATOM 540 C CD2 . HIS A 1 65 ? 15.671 -9.149 -5.369 1.00 67.50 65 A 1 ATOM 541 C CE1 . HIS A 1 65 ? 16.729 -8.553 -7.200 1.00 66.03 65 A 1 ATOM 542 N NE2 . HIS A 1 65 ? 16.512 -9.596 -6.380 1.00 67.35 65 A 1 ATOM 543 N N . ARG A 1 66 ? 17.713 -5.414 -4.747 1.00 80.93 66 A 1 ATOM 544 C CA . ARG A 1 66 ? 18.655 -4.433 -5.320 1.00 82.20 66 A 1 ATOM 545 C C . ARG A 1 66 ? 18.213 -3.889 -6.683 1.00 83.72 66 A 1 ATOM 546 O O . ARG A 1 66 ? 18.460 -2.722 -6.986 1.00 80.78 66 A 1 ATOM 547 C CB . ARG A 1 66 ? 20.056 -5.057 -5.450 1.00 79.98 66 A 1 ATOM 548 C CG . ARG A 1 66 ? 20.703 -5.361 -4.090 1.00 71.53 66 A 1 ATOM 549 C CD . ARG A 1 66 ? 22.114 -5.917 -4.291 1.00 69.83 66 A 1 ATOM 550 N NE . ARG A 1 66 ? 22.776 -6.206 -3.005 1.00 61.76 66 A 1 ATOM 551 C CZ . ARG A 1 66 ? 23.993 -6.719 -2.845 1.00 54.90 66 A 1 ATOM 552 N NH1 . ARG A 1 66 ? 24.752 -7.029 -3.863 1.00 50.14 66 A 1 ATOM 553 N NH2 . ARG A 1 66 ? 24.466 -6.933 -1.650 1.00 47.05 66 A 1 ATOM 554 N N . ARG A 1 67 ? 17.596 -4.728 -7.521 1.00 83.67 67 A 1 ATOM 555 C CA . ARG A 1 67 ? 17.189 -4.368 -8.884 1.00 84.59 67 A 1 ATOM 556 C C . ARG A 1 67 ? 15.702 -4.021 -8.942 1.00 85.52 67 A 1 ATOM 557 O O . ARG A 1 67 ? 14.911 -4.560 -8.175 1.00 82.39 67 A 1 ATOM 558 C CB . ARG A 1 67 ? 17.541 -5.480 -9.876 1.00 82.87 67 A 1 ATOM 559 C CG . ARG A 1 67 ? 19.046 -5.794 -9.924 1.00 78.19 67 A 1 ATOM 560 C CD . ARG A 1 67 ? 19.340 -6.740 -11.089 1.00 73.72 67 A 1 ATOM 561 N NE . ARG A 1 67 ? 20.765 -7.121 -11.144 1.00 67.40 67 A 1 ATOM 562 C CZ . ARG A 1 67 ? 21.369 -7.714 -12.166 1.00 60.63 67 A 1 ATOM 563 N NH1 . ARG A 1 67 ? 20.740 -8.003 -13.270 1.00 55.55 67 A 1 ATOM 564 N NH2 . ARG A 1 67 ? 22.631 -8.036 -12.092 1.00 53.28 67 A 1 ATOM 565 N N . ALA A 1 68 ? 15.333 -3.155 -9.898 1.00 83.23 68 A 1 ATOM 566 C CA . ALA A 1 68 ? 13.968 -2.658 -10.043 1.00 83.17 68 A 1 ATOM 567 C C . ALA A 1 68 ? 12.934 -3.777 -10.259 1.00 84.70 68 A 1 ATOM 568 O O . ALA A 1 68 ? 11.873 -3.729 -9.642 1.00 81.84 68 A 1 ATOM 569 C CB . ALA A 1 68 ? 13.938 -1.640 -11.186 1.00 80.38 68 A 1 ATOM 570 N N . TRP A 1 69 ? 13.269 -4.792 -11.038 1.00 85.86 69 A 1 ATOM 571 C CA . TRP A 1 69 ? 12.367 -5.918 -11.315 1.00 85.76 69 A 1 ATOM 572 C C . TRP A 1 69 ? 12.040 -6.783 -10.087 1.00 86.92 69 A 1 ATOM 573 O O . TRP A 1 69 ? 11.038 -7.496 -10.084 1.00 83.84 69 A 1 ATOM 574 C CB . TRP A 1 69 ? 12.972 -6.773 -12.428 1.00 83.17 69 A 1 ATOM 575 C CG . TRP A 1 69 ? 14.360 -7.309 -12.189 1.00 79.68 69 A 1 ATOM 576 C CD1 . TRP A 1 69 ? 15.471 -6.885 -12.829 1.00 73.43 69 A 1 ATOM 577 C CD2 . TRP A 1 69 ? 14.789 -8.402 -11.314 1.00 79.16 69 A 1 ATOM 578 N NE1 . TRP A 1 69 ? 16.567 -7.635 -12.413 1.00 68.90 69 A 1 ATOM 579 C CE2 . TRP A 1 69 ? 16.190 -8.580 -11.484 1.00 75.20 69 A 1 ATOM 580 C CE3 . TRP A 1 69 ? 14.136 -9.266 -10.417 1.00 69.54 69 A 1 ATOM 581 C CZ2 . TRP A 1 69 ? 16.916 -9.567 -10.785 1.00 70.20 69 A 1 ATOM 582 C CZ3 . TRP A 1 69 ? 14.855 -10.244 -9.712 1.00 65.94 69 A 1 ATOM 583 C CH2 . TRP A 1 69 ? 16.232 -10.390 -9.895 1.00 65.95 69 A 1 ATOM 584 N N . GLY A 1 70 ? 12.836 -6.704 -9.039 1.00 87.15 70 A 1 ATOM 585 C CA . GLY A 1 70 ? 12.569 -7.406 -7.781 1.00 86.82 70 A 1 ATOM 586 C C . GLY A 1 70 ? 11.849 -6.556 -6.733 1.00 88.36 70 A 1 ATOM 587 O O . GLY A 1 70 ? 11.622 -7.019 -5.614 1.00 85.56 70 A 1 ATOM 588 N N . ARG A 1 71 ? 11.521 -5.298 -7.068 1.00 90.73 71 A 1 ATOM 589 C CA . ARG A 1 71 ? 10.787 -4.404 -6.175 1.00 91.85 71 A 1 ATOM 590 C C . ARG A 1 71 ? 9.293 -4.682 -6.266 1.00 93.10 71 A 1 ATOM 591 O O . ARG A 1 71 ? 8.787 -5.064 -7.316 1.00 92.06 71 A 1 ATOM 592 C CB . ARG A 1 71 ? 11.077 -2.932 -6.486 1.00 89.64 71 A 1 ATOM 593 C CG . ARG A 1 71 ? 12.549 -2.575 -6.238 1.00 83.93 71 A 1 ATOM 594 C CD . ARG A 1 71 ? 12.798 -1.113 -6.595 1.00 81.09 71 A 1 ATOM 595 N NE . ARG A 1 71 ? 14.223 -0.771 -6.458 1.00 74.05 71 A 1 ATOM 596 C CZ . ARG A 1 71 ? 14.807 0.318 -6.926 1.00 69.83 71 A 1 ATOM 597 N NH1 . ARG A 1 71 ? 14.134 1.249 -7.545 1.00 65.39 71 A 1 ATOM 598 N NH2 . ARG A 1 71 ? 16.091 0.481 -6.780 1.00 60.75 71 A 1 ATOM 599 N N . ARG A 1 72 ? 8.598 -4.403 -5.174 1.00 93.33 72 A 1 ATOM 600 C CA . ARG A 1 72 ? 7.139 -4.420 -5.122 1.00 93.89 72 A 1 ATOM 601 C C . ARG A 1 72 ? 6.629 -3.025 -4.811 1.00 94.50 72 A 1 ATOM 602 O O . ARG A 1 72 ? 7.244 -2.303 -4.018 1.00 93.81 72 A 1 ATOM 603 C CB . ARG A 1 72 ? 6.662 -5.456 -4.100 1.00 92.53 72 A 1 ATOM 604 C CG . ARG A 1 72 ? 7.159 -6.869 -4.439 1.00 88.13 72 A 1 ATOM 605 C CD . ARG A 1 72 ? 6.612 -7.903 -3.461 1.00 86.63 72 A 1 ATOM 606 N NE . ARG A 1 72 ? 7.177 -7.733 -2.112 1.00 79.18 72 A 1 ATOM 607 C CZ . ARG A 1 72 ? 6.691 -8.246 -0.993 1.00 75.91 72 A 1 ATOM 608 N NH1 . ARG A 1 72 ? 5.625 -9.008 -0.995 1.00 70.99 72 A 1 ATOM 609 N NH2 . ARG A 1 72 ? 7.278 -8.002 0.136 1.00 66.70 72 A 1 ATOM 610 N N . TYR A 1 73 ? 5.516 -2.649 -5.425 1.00 95.81 73 A 1 ATOM 611 C CA . TYR A 1 73 ? 4.895 -1.335 -5.276 1.00 95.94 73 A 1 ATOM 612 C C . TYR A 1 73 ? 3.479 -1.514 -4.754 1.00 96.66 73 A 1 ATOM 613 O O . TYR A 1 73 ? 2.778 -2.426 -5.176 1.00 96.24 73 A 1 ATOM 614 C CB . TYR A 1 73 ? 4.901 -0.606 -6.618 1.00 94.59 73 A 1 ATOM 615 C CG . TYR A 1 73 ? 6.283 -0.470 -7.224 1.00 92.32 73 A 1 ATOM 616 C CD1 . TYR A 1 73 ? 7.117 0.609 -6.872 1.00 89.33 73 A 1 ATOM 617 C CD2 . TYR A 1 73 ? 6.757 -1.447 -8.130 1.00 88.78 73 A 1 ATOM 618 C CE1 . TYR A 1 73 ? 8.404 0.723 -7.420 1.00 86.31 73 A 1 ATOM 619 C CE2 . TYR A 1 73 ? 8.045 -1.344 -8.678 1.00 86.23 73 A 1 ATOM 620 C CZ . TYR A 1 73 ? 8.863 -0.253 -8.323 1.00 85.97 73 A 1 ATOM 621 O OH . TYR A 1 73 ? 10.124 -0.146 -8.866 1.00 83.11 73 A 1 ATOM 622 N N . LEU A 1 74 ? 3.047 -0.644 -3.844 1.00 97.13 74 A 1 ATOM 623 C CA . LEU A 1 74 ? 1.702 -0.658 -3.295 1.00 97.64 74 A 1 ATOM 624 C C . LEU A 1 74 ? 1.022 0.677 -3.559 1.00 97.89 74 A 1 ATOM 625 O O . LEU A 1 74 ? 1.624 1.737 -3.378 1.00 97.54 74 A 1 ATOM 626 C CB . LEU A 1 74 ? 1.769 -1.055 -1.814 1.00 97.38 74 A 1 ATOM 627 C CG . LEU A 1 74 ? 0.411 -1.181 -1.100 1.00 95.84 74 A 1 ATOM 628 C CD1 . LEU A 1 74 ? 0.541 -2.163 0.062 1.00 91.50 74 A 1 ATOM 629 C CD2 . LEU A 1 74 ? -0.071 0.150 -0.516 1.00 91.46 74 A 1 ATOM 630 N N . ARG A 1 75 ? -0.254 0.612 -3.948 1.00 97.94 75 A 1 ATOM 631 C CA . ARG A 1 75 ? -1.104 1.784 -4.162 1.00 98.06 75 A 1 ATOM 632 C C . ARG A 1 75 ? -2.537 1.519 -3.709 1.00 98.27 75 A 1 ATOM 633 O O . ARG A 1 75 ? -2.904 0.382 -3.412 1.00 98.20 75 A 1 ATOM 634 C CB . ARG A 1 75 ? -1.011 2.226 -5.632 1.00 97.56 75 A 1 ATOM 635 C CG . ARG A 1 75 ? -1.611 1.218 -6.621 1.00 96.44 75 A 1 ATOM 636 C CD . ARG A 1 75 ? -1.357 1.677 -8.056 1.00 95.64 75 A 1 ATOM 637 N NE . ARG A 1 75 ? -2.101 0.885 -9.032 1.00 93.73 75 A 1 ATOM 638 C CZ . ARG A 1 75 ? -1.756 -0.260 -9.597 1.00 94.26 75 A 1 ATOM 639 N NH1 . ARG A 1 75 ? -0.662 -0.895 -9.315 1.00 88.93 75 A 1 ATOM 640 N NH2 . ARG A 1 75 ? -2.542 -0.787 -10.476 1.00 91.30 75 A 1 ATOM 641 N N . VAL A 1 76 ? -3.338 2.588 -3.670 1.00 97.98 76 A 1 ATOM 642 C CA . VAL A 1 76 ? -4.763 2.545 -3.338 1.00 98.07 76 A 1 ATOM 643 C C . VAL A 1 76 ? -5.560 3.092 -4.509 1.00 98.01 76 A 1 ATOM 644 O O . VAL A 1 76 ? -5.303 4.213 -4.956 1.00 97.19 76 A 1 ATOM 645 C CB . VAL A 1 76 ? -5.075 3.358 -2.072 1.00 97.34 76 A 1 ATOM 646 C CG1 . VAL A 1 76 ? -6.545 3.220 -1.660 1.00 89.65 76 A 1 ATOM 647 C CG2 . VAL A 1 76 ? -4.206 2.918 -0.901 1.00 90.40 76 A 1 ATOM 648 N N . GLU A 1 77 ? -6.565 2.330 -4.953 1.00 98.11 77 A 1 ATOM 649 C CA . GLU A 1 77 ? -7.494 2.734 -6.005 1.00 98.00 77 A 1 ATOM 650 C C . GLU A 1 77 ? -8.936 2.515 -5.544 1.00 98.28 77 A 1 ATOM 651 O O . GLU A 1 77 ? -9.210 1.635 -4.730 1.00 97.84 77 A 1 ATOM 652 C CB . GLU A 1 77 ? -7.173 1.993 -7.307 1.00 96.75 77 A 1 ATOM 653 C CG . GLU A 1 77 ? -5.842 2.491 -7.893 1.00 89.08 77 A 1 ATOM 654 C CD . GLU A 1 77 ? -5.375 1.760 -9.156 1.00 87.73 77 A 1 ATOM 655 O OE1 . GLU A 1 77 ? -4.241 2.068 -9.600 1.00 81.68 77 A 1 ATOM 656 O OE2 . GLU A 1 77 ? -6.083 0.860 -9.644 1.00 81.91 77 A 1 ATOM 657 N N . GLU A 1 78 ? -9.858 3.355 -6.025 1.00 97.79 78 A 1 ATOM 658 C CA . GLU A 1 78 ? -11.285 3.144 -5.805 1.00 97.66 78 A 1 ATOM 659 C C . GLU A 1 78 ? -11.730 1.914 -6.609 1.00 97.18 78 A 1 ATOM 660 O O . GLU A 1 78 ? -11.306 1.736 -7.750 1.00 95.26 78 A 1 ATOM 661 C CB . GLU A 1 78 ? -12.060 4.436 -6.151 1.00 97.06 78 A 1 ATOM 662 C CG . GLU A 1 78 ? -13.539 4.406 -5.725 1.00 91.49 78 A 1 ATOM 663 C CD . GLU A 1 78 ? -14.240 5.792 -5.748 1.00 88.01 78 A 1 ATOM 664 O OE1 . GLU A 1 78 ? -15.487 5.861 -5.782 1.00 82.11 78 A 1 ATOM 665 O OE2 . GLU A 1 78 ? -13.588 6.850 -5.616 1.00 81.72 78 A 1 ATOM 666 N N . ALA A 1 79 ? -12.520 1.047 -5.990 1.00 96.04 79 A 1 ATOM 667 C CA . ALA A 1 79 ? -12.997 -0.192 -6.596 1.00 94.20 79 A 1 ATOM 668 C C . ALA A 1 79 ? -14.207 0.008 -7.509 1.00 90.13 79 A 1 ATOM 669 O O . ALA A 1 79 ? -15.012 0.922 -7.239 1.00 81.08 79 A 1 ATOM 670 C CB . ALA A 1 79 ? -13.312 -1.204 -5.494 1.00 90.34 79 A 1 ATOM 671 O OXT . ALA A 1 79 ? -14.330 -0.788 -8.484 1.00 76.68 79 A 1 #