# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms
data_169d3f30be95029
#
_entry.id 169d3f30be95029
#
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](N)C(O)=O                ? "L-PEPTIDE LINKING" 
"C6 H15 N4 O2"  175.209 ARG y ARGININE        N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" 
"C4 H7 N O4"    133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O         ? "L-PEPTIDE LINKING" 
"C3 H7 N O2 S"  121.158 CYS y CYSTEINE        N[C@@H](CS)C(O)=O              ? "L-PEPTIDE LINKING" 
"C5 H10 N2 O3"  146.144 GLN y GLUTAMINE       N[C@@H](CCC(N)=O)C(O)=O        ? "L-PEPTIDE LINKING" 
"C2 H5 N O2"    75.067  GLY y GLYCINE         NCC(O)=O                       ? "PEPTIDE LINKING"   
"C6 H10 N3 O2"  156.162 HIS y HISTIDINE       N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 LEU y LEUCINE         CC(C)C[C@H](N)C(O)=O           ? "L-PEPTIDE LINKING" 
"C6 H15 N2 O2"  147.195 LYS y LYSINE          N[C@@H](CCCC[NH3+])C(O)=O      ? "L-PEPTIDE LINKING" 
"C5 H11 N O2 S" 149.211 MET y METHIONINE      CSCC[C@H](N)C(O)=O             ? "L-PEPTIDE LINKING" 
"C5 H9 N O2"    115.130 PRO y PROLINE         OC(=O)[C@@H]1CCCN1             ? "L-PEPTIDE LINKING" 
"C3 H7 N O3"    105.093 SER y SERINE          N[C@@H](CO)C(O)=O              ? "L-PEPTIDE LINKING" 
"C4 H9 N O3"    119.119 THR y THREONINE       C[C@@H](O)[C@H](N)C(O)=O       ? "L-PEPTIDE LINKING" 
"C9 H11 N O3"   181.189 TYR y TYROSINE        N[C@@H](Cc1ccc(O)cc1)C(O)=O    ? "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 CYS 2  
1 n CYS 3  
1 n HIS 4  
1 n LEU 5  
1 n SER 6  
1 n GLN 7  
1 n ALA 8  
1 n LYS 9  
1 n ARG 10 
1 n ASP 11 
1 n GLN 12 
1 n CYS 13 
1 n MET 14 
1 n PRO 15 
1 n ARG 16 
1 n HIS 17 
1 n MET 18 
1 n CYS 19 
1 n TYR 20 
1 n MET 21 
1 n ALA 22 
1 n LYS 23 
1 n GLY 24 
1 n GLY 25 
1 n THR 26 
1 n LYS 27 
1 n HIS 28 
#
_ma_data.content_type "model coordinates"
_ma_data.id           1
_ma_data.name         Model
#
loop_
_ma_data_ref_db.id
_ma_data_ref_db.location_url
_ma_data_ref_db.name
_ma_data_ref_db.release_date
_ma_data_ref_db.version
1 . mgnify                . 2022_05 
2 . small_bfd             . default 
3 . uniprot_cluster_annot . 2021_04 
4 . uniref90              . 2022_05 
#
_ma_model_list.data_id          1
_ma_model_list.model_group_id   1
_ma_model_list.model_group_name "AlphaFold-beta-20231127 (e527c150-d829-4511-b408-65d0a6f552a0 @ 2026-02-04 05:37:03)"
_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 73.61
_ma_qa_metric_global.model_id     1
_ma_qa_metric_global.ordinal_id   1
#
_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 alphafoldserver.com/output-terms.
;
1 license    ? 
;THE INFORMATION IS NOT INTENDED FOR, HAS NOT BEEN VALIDATED FOR, AND IS NOT
APPROVED FOR CLINICAL USE. IT SHOULD NOT BE USED FOR CLINICAL PURPOSE OR RELIED
ON FOR MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS THEORETICAL MODELLING ONLY
AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY
WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT
USE OF THE INFORMATION 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 CYS . 2  A 2  
A 3  1 n CYS . 3  A 3  
A 4  1 n HIS . 4  A 4  
A 5  1 n LEU . 5  A 5  
A 6  1 n SER . 6  A 6  
A 7  1 n GLN . 7  A 7  
A 8  1 n ALA . 8  A 8  
A 9  1 n LYS . 9  A 9  
A 10 1 n ARG . 10 A 10 
A 11 1 n ASP . 11 A 11 
A 12 1 n GLN . 12 A 12 
A 13 1 n CYS . 13 A 13 
A 14 1 n MET . 14 A 14 
A 15 1 n PRO . 15 A 15 
A 16 1 n ARG . 16 A 16 
A 17 1 n HIS . 17 A 17 
A 18 1 n MET . 18 A 18 
A 19 1 n CYS . 19 A 19 
A 20 1 n TYR . 20 A 20 
A 21 1 n MET . 21 A 21 
A 22 1 n ALA . 22 A 22 
A 23 1 n LYS . 23 A 23 
A 24 1 n GLY . 24 A 24 
A 25 1 n GLY . 25 A 25 
A 26 1 n THR . 26 A 26 
A 27 1 n LYS . 27 A 27 
A 28 1 n HIS . 28 A 28 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (e527c150-d829-4511-b408-65d0a6f552a0 @ 2026-02-04 05:37:03)"
#
_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  ? -10.953 -9.004  5.390  1.00 66.97 1  A 1 
ATOM 2   C CA  . MET A 1 1  ? -10.034 -8.369  4.426  1.00 71.74 1  A 1 
ATOM 3   C C   . MET A 1 1  ? -10.037 -6.858  4.634  1.00 74.55 1  A 1 
ATOM 4   O O   . MET A 1 1  ? -11.082 -6.279  4.898  1.00 68.65 1  A 1 
ATOM 5   C CB  . MET A 1 1  ? -10.453 -8.686  2.986  1.00 66.06 1  A 1 
ATOM 6   C CG  . MET A 1 1  ? -10.363 -10.163 2.654  1.00 61.87 1  A 1 
ATOM 7   S SD  . MET A 1 1  ? -10.866 -10.508 0.962  1.00 56.94 1  A 1 
ATOM 8   C CE  . MET A 1 1  ? -10.627 -12.283 0.924  1.00 52.04 1  A 1 
ATOM 9   N N   . CYS A 1 2  ? -8.877  -6.244  4.510  1.00 71.60 2  A 1 
ATOM 10  C CA  . CYS A 1 2  ? -8.744  -4.812  4.760  1.00 73.67 2  A 1 
ATOM 11  C C   . CYS A 1 2  ? -9.451  -3.954  3.713  1.00 75.57 2  A 1 
ATOM 12  O O   . CYS A 1 2  ? -9.816  -2.813  3.988  1.00 70.21 2  A 1 
ATOM 13  C CB  . CYS A 1 2  ? -7.263  -4.461  4.842  1.00 69.39 2  A 1 
ATOM 14  S SG  . CYS A 1 2  ? -6.421  -5.349  6.191  1.00 64.16 2  A 1 
ATOM 15  N N   . CYS A 1 3  ? -9.651  -4.500  2.522  1.00 73.28 3  A 1 
ATOM 16  C CA  . CYS A 1 3  ? -10.346 -3.793  1.453  1.00 73.55 3  A 1 
ATOM 17  C C   . CYS A 1 3  ? -11.820 -3.563  1.795  1.00 75.05 3  A 1 
ATOM 18  O O   . CYS A 1 3  ? -12.412 -2.565  1.380  1.00 70.41 3  A 1 
ATOM 19  C CB  . CYS A 1 3  ? -10.233 -4.579  0.142  1.00 70.07 3  A 1 
ATOM 20  S SG  . CYS A 1 3  ? -10.947 -3.721  -1.263 1.00 64.39 3  A 1 
ATOM 21  N N   . HIS A 1 4  ? -12.390 -4.493  2.578  1.00 76.34 4  A 1 
ATOM 22  C CA  . HIS A 1 4  ? -13.792 -4.393  2.985  1.00 78.37 4  A 1 
ATOM 23  C C   . HIS A 1 4  ? -13.977 -3.437  4.158  1.00 80.17 4  A 1 
ATOM 24  O O   . HIS A 1 4  ? -15.098 -3.025  4.460  1.00 77.45 4  A 1 
ATOM 25  C CB  . HIS A 1 4  ? -14.334 -5.772  3.350  1.00 75.36 4  A 1 
ATOM 26  C CG  . HIS A 1 4  ? -14.432 -6.700  2.177  1.00 66.91 4  A 1 
ATOM 27  N ND1 . HIS A 1 4  ? -15.445 -6.654  1.248  1.00 58.97 4  A 1 
ATOM 28  C CD2 . HIS A 1 4  ? -13.629 -7.710  1.777  1.00 59.31 4  A 1 
ATOM 29  C CE1 . HIS A 1 4  ? -15.237 -7.596  0.339  1.00 57.46 4  A 1 
ATOM 30  N NE2 . HIS A 1 4  ? -14.144 -8.259  0.625  1.00 56.65 4  A 1 
ATOM 31  N N   . LEU A 1 5  ? -12.885 -3.100  4.829  1.00 80.70 5  A 1 
ATOM 32  C CA  . LEU A 1 5  ? -12.929 -2.193  5.964  1.00 82.16 5  A 1 
ATOM 33  C C   . LEU A 1 5  ? -12.976 -0.743  5.497  1.00 84.12 5  A 1 
ATOM 34  O O   . LEU A 1 5  ? -12.840 -0.456  4.307  1.00 82.10 5  A 1 
ATOM 35  C CB  . LEU A 1 5  ? -11.700 -2.409  6.862  1.00 78.95 5  A 1 
ATOM 36  C CG  . LEU A 1 5  ? -11.597 -3.810  7.471  1.00 73.39 5  A 1 
ATOM 37  C CD1 . LEU A 1 5  ? -10.296 -3.941  8.262  1.00 70.02 5  A 1 
ATOM 38  C CD2 . LEU A 1 5  ? -12.786 -4.105  8.374  1.00 69.88 5  A 1 
ATOM 39  N N   . SER A 1 6  ? -13.167 0.169   6.453  1.00 82.91 6  A 1 
ATOM 40  C CA  . SER A 1 6  ? -13.190 1.596   6.157  1.00 83.27 6  A 1 
ATOM 41  C C   . SER A 1 6  ? -11.857 2.038   5.553  1.00 83.89 6  A 1 
ATOM 42  O O   . SER A 1 6  ? -10.815 1.432   5.814  1.00 83.10 6  A 1 
ATOM 43  C CB  . SER A 1 6  ? -13.476 2.389   7.430  1.00 82.04 6  A 1 
ATOM 44  O OG  . SER A 1 6  ? -14.714 2.006   7.997  1.00 74.28 6  A 1 
ATOM 45  N N   . GLN A 1 7  ? -11.902 3.094   4.755  1.00 84.20 7  A 1 
ATOM 46  C CA  . GLN A 1 7  ? -10.704 3.586   4.066  1.00 84.32 7  A 1 
ATOM 47  C C   . GLN A 1 7  ? -9.586  3.937   5.045  1.00 85.07 7  A 1 
ATOM 48  O O   . GLN A 1 7  ? -8.408  3.703   4.766  1.00 83.78 7  A 1 
ATOM 49  C CB  . GLN A 1 7  ? -11.070 4.808   3.223  1.00 82.76 7  A 1 
ATOM 50  C CG  . GLN A 1 7  ? -9.942  5.264   2.298  1.00 73.92 7  A 1 
ATOM 51  C CD  . GLN A 1 7  ? -10.360 6.424   1.417  1.00 71.16 7  A 1 
ATOM 52  O OE1 . GLN A 1 7  ? -11.333 7.110   1.680  1.00 67.13 7  A 1 
ATOM 53  N NE2 . GLN A 1 7  ? -9.619  6.662   0.349  1.00 63.68 7  A 1 
ATOM 54  N N   . ALA A 1 8  ? -9.952  4.474   6.207  1.00 84.82 8  A 1 
ATOM 55  C CA  . ALA A 1 8  ? -8.986  4.821   7.238  1.00 84.98 8  A 1 
ATOM 56  C C   . ALA A 1 8  ? -8.276  3.579   7.790  1.00 85.72 8  A 1 
ATOM 57  O O   . ALA A 1 8  ? -7.070  3.593   8.021  1.00 83.53 8  A 1 
ATOM 58  C CB  . ALA A 1 8  ? -9.677  5.580   8.375  1.00 84.23 8  A 1 
ATOM 59  N N   . LYS A 1 9  ? -9.030  2.496   7.985  1.00 84.14 9  A 1 
ATOM 60  C CA  . LYS A 1 9  ? -8.476  1.247   8.489  1.00 83.45 9  A 1 
ATOM 61  C C   . LYS A 1 9  ? -7.655  0.538   7.416  1.00 83.48 9  A 1 
ATOM 62  O O   . LYS A 1 9  ? -6.682  -0.148  7.720  1.00 81.73 9  A 1 
ATOM 63  C CB  . LYS A 1 9  ? -9.585  0.325   8.992  1.00 82.69 9  A 1 
ATOM 64  C CG  . LYS A 1 9  ? -10.254 0.852   10.255 1.00 77.57 9  A 1 
ATOM 65  C CD  . LYS A 1 9  ? -11.288 -0.135  10.769 1.00 73.22 9  A 1 
ATOM 66  C CE  . LYS A 1 9  ? -11.939 0.384   12.041 1.00 68.00 9  A 1 
ATOM 67  N NZ  . LYS A 1 9  ? -10.962 0.516   13.152 1.00 61.65 9  A 1 
ATOM 68  N N   . ARG A 1 10 ? -8.039  0.705   6.149  1.00 83.45 10 A 1 
ATOM 69  C CA  . ARG A 1 10 ? -7.314  0.120   5.025  1.00 82.29 10 A 1 
ATOM 70  C C   . ARG A 1 10 ? -5.899  0.683   4.949  1.00 81.95 10 A 1 
ATOM 71  O O   . ARG A 1 10 ? -4.946  -0.052  4.711  1.00 79.80 10 A 1 
ATOM 72  C CB  . ARG A 1 10 ? -8.065  0.401   3.715  1.00 80.36 10 A 1 
ATOM 73  C CG  . ARG A 1 10 ? -7.382  -0.196  2.499  1.00 73.24 10 A 1 
ATOM 74  C CD  . ARG A 1 10 ? -8.163  0.129   1.232  1.00 71.95 10 A 1 
ATOM 75  N NE  . ARG A 1 10 ? -7.464  -0.351  0.039  1.00 68.05 10 A 1 
ATOM 76  C CZ  . ARG A 1 10 ? -7.878  -0.128  -1.210 1.00 63.98 10 A 1 
ATOM 77  N NH1 . ARG A 1 10 ? -8.976  0.556   -1.443 1.00 59.97 10 A 1 
ATOM 78  N NH2 . ARG A 1 10 ? -7.182  -0.590  -2.229 1.00 56.64 10 A 1 
ATOM 79  N N   . ASP A 1 11 ? -5.769  1.977   5.186  1.00 80.28 11 A 1 
ATOM 80  C CA  . ASP A 1 11 ? -4.472  2.653   5.173  1.00 80.41 11 A 1 
ATOM 81  C C   . ASP A 1 11 ? -3.584  2.148   6.309  1.00 82.01 11 A 1 
ATOM 82  O O   . ASP A 1 11 ? -2.380  1.966   6.137  1.00 80.31 11 A 1 
ATOM 83  C CB  . ASP A 1 11 ? -4.681  4.168   5.311  1.00 79.23 11 A 1 
ATOM 84  C CG  . ASP A 1 11 ? -3.368  4.921   5.236  1.00 72.34 11 A 1 
ATOM 85  O OD1 . ASP A 1 11 ? -2.735  4.922   4.161  1.00 68.87 11 A 1 
ATOM 86  O OD2 . ASP A 1 11 ? -2.971  5.528   6.249  1.00 67.89 11 A 1 
ATOM 87  N N   . GLN A 1 12 ? -4.194  1.887   7.466  1.00 85.95 12 A 1 
ATOM 88  C CA  . GLN A 1 12 ? -3.475  1.381   8.628  1.00 85.90 12 A 1 
ATOM 89  C C   . GLN A 1 12 ? -3.125  -0.107  8.462  1.00 86.36 12 A 1 
ATOM 90  O O   . GLN A 1 12 ? -2.141  -0.588  9.031  1.00 83.49 12 A 1 
ATOM 91  C CB  . GLN A 1 12 ? -4.323  1.590   9.888  1.00 85.19 12 A 1 
ATOM 92  C CG  . GLN A 1 12 ? -3.628  1.162   11.170 1.00 76.35 12 A 1 
ATOM 93  C CD  . GLN A 1 12 ? -4.480  1.416   12.404 1.00 73.37 12 A 1 
ATOM 94  O OE1 . GLN A 1 12 ? -5.345  2.282   12.405 1.00 69.23 12 A 1 
ATOM 95  N NE2 . GLN A 1 12 ? -4.236  0.671   13.464 1.00 66.17 12 A 1 
ATOM 96  N N   . CYS A 1 13 ? -3.916  -0.825  7.684  1.00 84.65 13 A 1 
ATOM 97  C CA  . CYS A 1 13 ? -3.726  -2.258  7.480  1.00 83.08 13 A 1 
ATOM 98  C C   . CYS A 1 13 ? -2.462  -2.575  6.678  1.00 83.63 13 A 1 
ATOM 99  O O   . CYS A 1 13 ? -1.735  -3.514  7.000  1.00 79.40 13 A 1 
ATOM 100 C CB  . CYS A 1 13 ? -4.944  -2.846  6.769  1.00 79.41 13 A 1 
ATOM 101 S SG  . CYS A 1 13 ? -4.763  -4.600  6.388  1.00 72.52 13 A 1 
ATOM 102 N N   . MET A 1 14 ? -2.209  -1.808  5.624  1.00 83.17 14 A 1 
ATOM 103 C CA  . MET A 1 14 ? -1.071  -2.068  4.744  1.00 82.95 14 A 1 
ATOM 104 C C   . MET A 1 14 ? -0.104  -0.881  4.647  1.00 84.50 14 A 1 
ATOM 105 O O   . MET A 1 14 ? 0.057   -0.292  3.576  1.00 82.41 14 A 1 
ATOM 106 C CB  . MET A 1 14 ? -1.577  -2.448  3.348  1.00 80.12 14 A 1 
ATOM 107 C CG  . MET A 1 14 ? -2.347  -3.762  3.320  1.00 73.14 14 A 1 
ATOM 108 S SD  . MET A 1 14 ? -1.294  -5.177  3.684  1.00 69.80 14 A 1 
ATOM 109 C CE  . MET A 1 14 ? -2.480  -6.505  3.498  1.00 63.36 14 A 1 
ATOM 110 N N   . PRO A 1 15 ? 0.581   -0.542  5.753  1.00 84.20 15 A 1 
ATOM 111 C CA  . PRO A 1 15 ? 1.537   0.570   5.747  1.00 85.19 15 A 1 
ATOM 112 C C   . PRO A 1 15 ? 2.788   0.252   4.927  1.00 85.82 15 A 1 
ATOM 113 O O   . PRO A 1 15 ? 3.322   1.124   4.239  1.00 82.91 15 A 1 
ATOM 114 C CB  . PRO A 1 15 ? 1.877   0.759   7.230  1.00 82.66 15 A 1 
ATOM 115 C CG  . PRO A 1 15 ? 1.655   -0.589  7.842  1.00 80.67 15 A 1 
ATOM 116 C CD  . PRO A 1 15 ? 0.503   -1.188  7.068  1.00 84.40 15 A 1 
ATOM 117 N N   . ARG A 1 16 ? 3.243   -1.013  4.982  1.00 82.37 16 A 1 
ATOM 118 C CA  . ARG A 1 16 ? 4.422   -1.444  4.239  1.00 82.39 16 A 1 
ATOM 119 C C   . ARG A 1 16 ? 4.153   -1.444  2.741  1.00 82.95 16 A 1 
ATOM 120 O O   . ARG A 1 16 ? 5.037   -1.128  1.943  1.00 80.48 16 A 1 
ATOM 121 C CB  . ARG A 1 16 ? 4.848   -2.850  4.692  1.00 80.05 16 A 1 
ATOM 122 C CG  . ARG A 1 16 ? 5.355   -2.868  6.121  1.00 73.46 16 A 1 
ATOM 123 C CD  . ARG A 1 16 ? 5.782   -4.262  6.537  1.00 71.26 16 A 1 
ATOM 124 N NE  . ARG A 1 16 ? 4.634   -5.182  6.563  1.00 66.36 16 A 1 
ATOM 125 C CZ  . ARG A 1 16 ? 4.723   -6.478  6.820  1.00 62.30 16 A 1 
ATOM 126 N NH1 . ARG A 1 16 ? 5.886   -7.042  7.085  1.00 57.92 16 A 1 
ATOM 127 N NH2 . ARG A 1 16 ? 3.632   -7.235  6.833  1.00 54.64 16 A 1 
ATOM 128 N N   . HIS A 1 17 ? 2.927   -1.778  2.358  1.00 84.43 17 A 1 
ATOM 129 C CA  . HIS A 1 17 ? 2.527   -1.798  0.959  1.00 84.78 17 A 1 
ATOM 130 C C   . HIS A 1 17 ? 2.540   -0.391  0.361  1.00 85.67 17 A 1 
ATOM 131 O O   . HIS A 1 17 ? 2.957   -0.192  -0.777 1.00 82.77 17 A 1 
ATOM 132 C CB  . HIS A 1 17 ? 1.128   -2.410  0.828  1.00 83.36 17 A 1 
ATOM 133 C CG  . HIS A 1 17 ? 0.681   -2.569  -0.596 1.00 76.75 17 A 1 
ATOM 134 N ND1 . HIS A 1 17 ? -0.284  -1.793  -1.192 1.00 69.35 17 A 1 
ATOM 135 C CD2 . HIS A 1 17 ? 1.079   -3.451  -1.542 1.00 70.47 17 A 1 
ATOM 136 C CE1 . HIS A 1 17 ? -0.443  -2.200  -2.447 1.00 68.63 17 A 1 
ATOM 137 N NE2 . HIS A 1 17 ? 0.370   -3.205  -2.689 1.00 69.64 17 A 1 
ATOM 138 N N   . MET A 1 18 ? 2.095   0.584   1.158  1.00 83.41 18 A 1 
ATOM 139 C CA  . MET A 1 18 ? 2.085   1.978   0.723  1.00 83.10 18 A 1 
ATOM 140 C C   . MET A 1 18 ? 3.510   2.491   0.492  1.00 83.56 18 A 1 
ATOM 141 O O   . MET A 1 18 ? 3.770   3.214   -0.466 1.00 80.33 18 A 1 
ATOM 142 C CB  . MET A 1 18 ? 1.365   2.850   1.752  1.00 81.05 18 A 1 
ATOM 143 C CG  . MET A 1 18 ? -0.100  2.494   1.915  1.00 75.39 18 A 1 
ATOM 144 S SD  . MET A 1 18 ? -1.059  2.689   0.399  1.00 71.87 18 A 1 
ATOM 145 C CE  . MET A 1 18 ? -1.004  4.459   0.209  1.00 63.55 18 A 1 
ATOM 146 N N   . CYS A 1 19 ? 4.429   2.075   1.354  1.00 83.27 19 A 1 
ATOM 147 C CA  . CYS A 1 19 ? 5.830   2.453   1.230  1.00 82.52 19 A 1 
ATOM 148 C C   . CYS A 1 19 ? 6.448   1.823   -0.024 1.00 82.68 19 A 1 
ATOM 149 O O   . CYS A 1 19 ? 7.215   2.458   -0.742 1.00 78.77 19 A 1 
ATOM 150 C CB  . CYS A 1 19 ? 6.607   2.017   2.473  1.00 79.93 19 A 1 
ATOM 151 S SG  . CYS A 1 19 ? 8.339   2.514   2.436  1.00 74.76 19 A 1 
ATOM 152 N N   . TYR A 1 20 ? 6.096   0.552   -0.289 1.00 82.78 20 A 1 
ATOM 153 C CA  . TYR A 1 20 ? 6.582   -0.186  -1.453 1.00 82.56 20 A 1 
ATOM 154 C C   . TYR A 1 20 ? 6.162   0.498   -2.752 1.00 82.65 20 A 1 
ATOM 155 O O   . TYR A 1 20 ? 6.968   0.639   -3.686 1.00 80.66 20 A 1 
ATOM 156 C CB  . TYR A 1 20 ? 6.035   -1.612  -1.400 1.00 81.19 20 A 1 
ATOM 157 C CG  . TYR A 1 20 ? 6.529   -2.489  -2.527 1.00 76.11 20 A 1 
ATOM 158 C CD1 . TYR A 1 20 ? 7.788   -3.076  -2.482 1.00 75.24 20 A 1 
ATOM 159 C CD2 . TYR A 1 20 ? 5.724   -2.741  -3.632 1.00 73.71 20 A 1 
ATOM 160 C CE1 . TYR A 1 20 ? 8.239   -3.894  -3.509 1.00 71.24 20 A 1 
ATOM 161 C CE2 . TYR A 1 20 ? 6.169   -3.551  -4.669 1.00 72.13 20 A 1 
ATOM 162 C CZ  . TYR A 1 20 ? 7.421   -4.128  -4.603 1.00 69.68 20 A 1 
ATOM 163 O OH  . TYR A 1 20 ? 7.861   -4.931  -5.629 1.00 66.84 20 A 1 
ATOM 164 N N   . MET A 1 21 ? 4.907   0.935   -2.802 1.00 80.54 21 A 1 
ATOM 165 C CA  . MET A 1 21 ? 4.388   1.630   -3.974 1.00 79.54 21 A 1 
ATOM 166 C C   . MET A 1 21 ? 5.002   3.020   -4.119 1.00 78.31 21 A 1 
ATOM 167 O O   . MET A 1 21 ? 5.239   3.481   -5.240 1.00 74.93 21 A 1 
ATOM 168 C CB  . MET A 1 21 ? 2.864   1.738   -3.892 1.00 76.69 21 A 1 
ATOM 169 C CG  . MET A 1 21 ? 2.171   0.393   -4.027 1.00 70.81 21 A 1 
ATOM 170 S SD  . MET A 1 21 ? 2.463   -0.326  -5.640 1.00 66.99 21 A 1 
ATOM 171 C CE  . MET A 1 21 ? 1.601   -1.886  -5.452 1.00 58.97 21 A 1 
ATOM 172 N N   . ALA A 1 22 ? 5.282   3.671   -2.997 1.00 80.33 22 A 1 
ATOM 173 C CA  . ALA A 1 22 ? 5.882   4.995   -3.005 1.00 78.83 22 A 1 
ATOM 174 C C   . ALA A 1 22 ? 7.297   4.971   -3.584 1.00 78.95 22 A 1 
ATOM 175 O O   . ALA A 1 22 ? 7.719   5.912   -4.257 1.00 75.32 22 A 1 
ATOM 176 C CB  . ALA A 1 22 ? 5.911   5.574   -1.594 1.00 75.42 22 A 1 
ATOM 177 N N   . LYS A 1 23 ? 8.020   3.870   -3.325 1.00 77.32 23 A 1 
ATOM 178 C CA  . LYS A 1 23 ? 9.374   3.700   -3.845 1.00 76.71 23 A 1 
ATOM 179 C C   . LYS A 1 23 ? 9.383   3.307   -5.323 1.00 75.61 23 A 1 
ATOM 180 O O   . LYS A 1 23 ? 10.422  3.366   -5.969 1.00 69.43 23 A 1 
ATOM 181 C CB  . LYS A 1 23 ? 10.124  2.653   -3.024 1.00 73.65 23 A 1 
ATOM 182 C CG  . LYS A 1 23 ? 10.405  3.077   -1.593 1.00 67.68 23 A 1 
ATOM 183 C CD  . LYS A 1 23 ? 11.404  4.212   -1.530 1.00 65.10 23 A 1 
ATOM 184 C CE  . LYS A 1 23 ? 11.736  4.585   -0.105 1.00 59.40 23 A 1 
ATOM 185 N NZ  . LYS A 1 23 ? 12.711  5.702   -0.049 1.00 54.62 23 A 1 
ATOM 186 N N   . GLY A 1 24 ? 8.228   2.897   -5.846 1.00 75.64 24 A 1 
ATOM 187 C CA  . GLY A 1 24 ? 8.127   2.503   -7.249 1.00 74.15 24 A 1 
ATOM 188 C C   . GLY A 1 24 ? 8.252   1.009   -7.453 1.00 74.96 24 A 1 
ATOM 189 O O   . GLY A 1 24 ? 8.727   0.559   -8.493 1.00 69.01 24 A 1 
ATOM 190 N N   . GLY A 1 25 ? 7.838   0.232   -6.438 1.00 73.52 25 A 1 
ATOM 191 C CA  . GLY A 1 25 ? 7.882   -1.218  -6.537 1.00 71.79 25 A 1 
ATOM 192 C C   . GLY A 1 25 ? 9.260   -1.803  -6.309 1.00 71.91 25 A 1 
ATOM 193 O O   . GLY A 1 25 ? 9.594   -2.854  -6.856 1.00 67.48 25 A 1 
ATOM 194 N N   . THR A 1 26 ? 10.067  -1.132  -5.498 1.00 73.44 26 A 1 
ATOM 195 C CA  . THR A 1 26 ? 11.415  -1.594  -5.191 1.00 70.87 26 A 1 
ATOM 196 C C   . THR A 1 26 ? 11.507  -2.052  -3.740 1.00 69.68 26 A 1 
ATOM 197 O O   . THR A 1 26 ? 10.705  -1.652  -2.895 1.00 64.37 26 A 1 
ATOM 198 C CB  . THR A 1 26 ? 12.458  -0.484  -5.425 1.00 68.05 26 A 1 
ATOM 199 O OG1 . THR A 1 26 ? 12.160  0.663   -4.644 1.00 61.05 26 A 1 
ATOM 200 C CG2 . THR A 1 26 ? 12.492  -0.099  -6.893 1.00 59.90 26 A 1 
ATOM 201 N N   . LYS A 1 27 ? 12.494  -2.923  -3.457 1.00 67.76 27 A 1 
ATOM 202 C CA  . LYS A 1 27 ? 12.690  -3.425  -2.093 1.00 66.78 27 A 1 
ATOM 203 C C   . LYS A 1 27 ? 13.303  -2.350  -1.200 1.00 65.92 27 A 1 
ATOM 204 O O   . LYS A 1 27 ? 13.059  -2.306  -0.001 1.00 60.32 27 A 1 
ATOM 205 C CB  . LYS A 1 27 ? 13.589  -4.655  -2.107 1.00 63.41 27 A 1 
ATOM 206 C CG  . LYS A 1 27 ? 12.961  -5.846  -2.829 1.00 59.16 27 A 1 
ATOM 207 C CD  . LYS A 1 27 ? 13.848  -7.088  -2.726 1.00 56.06 27 A 1 
ATOM 208 C CE  . LYS A 1 27 ? 15.170  -6.902  -3.461 1.00 52.23 27 A 1 
ATOM 209 N NZ  . LYS A 1 27 ? 15.996  -8.126  -3.400 1.00 47.11 27 A 1 
ATOM 210 N N   . HIS A 1 28 ? 14.125  -1.489  -1.800 1.00 69.08 28 A 1 
ATOM 211 C CA  . HIS A 1 28 ? 14.795  -0.417  -1.071 1.00 66.06 28 A 1 
ATOM 212 C C   . HIS A 1 28 ? 14.064  0.897   -1.291 1.00 61.98 28 A 1 
ATOM 213 O O   . HIS A 1 28 ? 13.947  1.321   -2.445 1.00 56.14 28 A 1 
ATOM 214 C CB  . HIS A 1 28 ? 16.259  -0.291  -1.519 1.00 61.77 28 A 1 
ATOM 215 C CG  . HIS A 1 28 ? 17.049  0.715   -0.716 1.00 57.41 28 A 1 
ATOM 216 N ND1 . HIS A 1 28 ? 17.534  0.472   0.553  1.00 51.38 28 A 1 
ATOM 217 C CD2 . HIS A 1 28 ? 17.422  1.983   -1.000 1.00 52.01 28 A 1 
ATOM 218 C CE1 . HIS A 1 28 ? 18.169  1.552   0.997  1.00 50.66 28 A 1 
ATOM 219 N NE2 . HIS A 1 28 ? 18.125  2.494   0.070  1.00 52.61 28 A 1 
ATOM 220 O OXT . HIS A 1 28 ? 13.617  1.472   -0.292 1.00 51.12 28 A 1 
#
