# By using this file you agree to the legally binding terms of use found at alphafoldserver.com/output-terms
data_3e3b30a493524fa4
#
_entry.id 3e3b30a493524fa4
#
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
"C6 H15 N4 O2" 175.209 ARG y ARGININE        N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" 
"C4 H8 N2 O3"  132.118 ASN y ASPARAGINE      N[C@@H](CC(N)=O)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" 
"C5 H9 N O4"   147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O        ? "L-PEPTIDE LINKING" 
"C2 H5 N O2"   75.067  GLY y GLYCINE         NCC(O)=O                       ? "PEPTIDE LINKING"   
"C6 H13 N O2"  131.173 ILE y ISOLEUCINE      CC[C@H](C)[C@H](N)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" 
"C9 H11 N O2"  165.189 PHE y PHENYLALANINE   N[C@@H](Cc1ccccc1)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" 
"C5 H11 N O2"  117.146 VAL y VALINE          CC(C)[C@H](N)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 ASN 1  
1 n ASP 2  
1 n PHE 3  
1 n CYS 4  
1 n LYS 5  
1 n ARG 6  
1 n PRO 7  
1 n PHE 8  
1 n SER 9  
1 n THR 10 
1 n GLY 11 
1 n ASP 12 
1 n TYR 13 
1 n CYS 14 
1 n THR 15 
1 n GLY 16 
1 n THR 17 
1 n GLN 18 
1 n THR 19 
1 n CYS 20 
1 n CYS 21 
1 n ILE 22 
1 n PRO 23 
1 n PRO 24 
1 n GLY 25 
1 n SER 26 
1 n LEU 27 
1 n THR 28 
1 n GLY 29 
1 n VAL 30 
1 n CYS 31 
1 n LYS 32 
1 n GLU 33 
1 n PRO 34 
1 n ASP 35 
1 n GLU 36 
1 n CYS 37 
1 n GLN 38 
#
_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 (52ceabbc-a146-4d20-8f14-848cbf63912f @ 2026-02-03 12:22:01)"
_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 85.87
_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 ASN . 1  A 1  
A 2  1 n ASP . 2  A 2  
A 3  1 n PHE . 3  A 3  
A 4  1 n CYS . 4  A 4  
A 5  1 n LYS . 5  A 5  
A 6  1 n ARG . 6  A 6  
A 7  1 n PRO . 7  A 7  
A 8  1 n PHE . 8  A 8  
A 9  1 n SER . 9  A 9  
A 10 1 n THR . 10 A 10 
A 11 1 n GLY . 11 A 11 
A 12 1 n ASP . 12 A 12 
A 13 1 n TYR . 13 A 13 
A 14 1 n CYS . 14 A 14 
A 15 1 n THR . 15 A 15 
A 16 1 n GLY . 16 A 16 
A 17 1 n THR . 17 A 17 
A 18 1 n GLN . 18 A 18 
A 19 1 n THR . 19 A 19 
A 20 1 n CYS . 20 A 20 
A 21 1 n CYS . 21 A 21 
A 22 1 n ILE . 22 A 22 
A 23 1 n PRO . 23 A 23 
A 24 1 n PRO . 24 A 24 
A 25 1 n GLY . 25 A 25 
A 26 1 n SER . 26 A 26 
A 27 1 n LEU . 27 A 27 
A 28 1 n THR . 28 A 28 
A 29 1 n GLY . 29 A 29 
A 30 1 n VAL . 30 A 30 
A 31 1 n CYS . 31 A 31 
A 32 1 n LYS . 32 A 32 
A 33 1 n GLU . 33 A 33 
A 34 1 n PRO . 34 A 34 
A 35 1 n ASP . 35 A 35 
A 36 1 n GLU . 36 A 36 
A 37 1 n CYS . 37 A 37 
A 38 1 n GLN . 38 A 38 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (52ceabbc-a146-4d20-8f14-848cbf63912f @ 2026-02-03 12:22:01)"
#
_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   . ASN A 1 1  ? -8.056  -0.728  6.638   1.00 71.07 1  A 1 
ATOM 2   C CA  . ASN A 1 1  ? -7.370  0.245   5.792   1.00 77.46 1  A 1 
ATOM 3   C C   . ASN A 1 1  ? -7.992  0.292   4.401   1.00 79.79 1  A 1 
ATOM 4   O O   . ASN A 1 1  ? -8.607  -0.674  3.958   1.00 76.74 1  A 1 
ATOM 5   C CB  . ASN A 1 1  ? -5.881  -0.116  5.656   1.00 73.66 1  A 1 
ATOM 6   C CG  . ASN A 1 1  ? -5.196  -0.197  6.987   1.00 68.92 1  A 1 
ATOM 7   O OD1 . ASN A 1 1  ? -4.814  -1.274  7.440   1.00 66.09 1  A 1 
ATOM 8   N ND2 . ASN A 1 1  ? -5.046  0.935   7.642   1.00 64.04 1  A 1 
ATOM 9   N N   . ASP A 1 2  ? -7.825  1.416   3.741   1.00 81.11 2  A 1 
ATOM 10  C CA  . ASP A 1 2  ? -8.361  1.574   2.402   1.00 85.19 2  A 1 
ATOM 11  C C   . ASP A 1 2  ? -7.455  0.920   1.371   1.00 87.77 2  A 1 
ATOM 12  O O   . ASP A 1 2  ? -6.234  0.875   1.541   1.00 85.18 2  A 1 
ATOM 13  C CB  . ASP A 1 2  ? -8.515  3.056   2.073   1.00 80.01 2  A 1 
ATOM 14  C CG  . ASP A 1 2  ? -9.565  3.730   2.945   1.00 72.68 2  A 1 
ATOM 15  O OD1 . ASP A 1 2  ? -10.752 3.677   2.586   1.00 68.98 2  A 1 
ATOM 16  O OD2 . ASP A 1 2  ? -9.193  4.311   3.979   1.00 68.34 2  A 1 
ATOM 17  N N   . PHE A 1 3  ? -8.051  0.413   0.309   1.00 90.76 3  A 1 
ATOM 18  C CA  . PHE A 1 3  ? -7.285  -0.213  -0.753  1.00 91.32 3  A 1 
ATOM 19  C C   . PHE A 1 3  ? -6.824  0.841   -1.747  1.00 91.76 3  A 1 
ATOM 20  O O   . PHE A 1 3  ? -7.542  1.794   -2.044  1.00 90.03 3  A 1 
ATOM 21  C CB  . PHE A 1 3  ? -8.126  -1.274  -1.470  1.00 89.62 3  A 1 
ATOM 22  C CG  . PHE A 1 3  ? -8.452  -2.468  -0.612  1.00 85.93 3  A 1 
ATOM 23  C CD1 . PHE A 1 3  ? -7.570  -3.531  -0.517  1.00 83.23 3  A 1 
ATOM 24  C CD2 . PHE A 1 3  ? -9.648  -2.523  0.094   1.00 82.40 3  A 1 
ATOM 25  C CE1 . PHE A 1 3  ? -7.864  -4.631  0.262   1.00 79.85 3  A 1 
ATOM 26  C CE2 . PHE A 1 3  ? -9.948  -3.617  0.883   1.00 79.05 3  A 1 
ATOM 27  C CZ  . PHE A 1 3  ? -9.053  -4.669  0.966   1.00 77.50 3  A 1 
ATOM 28  N N   . CYS A 1 4  ? -5.627  0.658   -2.270  1.00 91.55 4  A 1 
ATOM 29  C CA  . CYS A 1 4  ? -5.056  1.587   -3.227  1.00 92.04 4  A 1 
ATOM 30  C C   . CYS A 1 4  ? -4.416  0.828   -4.377  1.00 91.70 4  A 1 
ATOM 31  O O   . CYS A 1 4  ? -4.162  -0.369  -4.290  1.00 88.59 4  A 1 
ATOM 32  C CB  . CYS A 1 4  ? -4.013  2.473   -2.534  1.00 90.45 4  A 1 
ATOM 33  S SG  . CYS A 1 4  ? -2.797  1.562   -1.549  1.00 88.35 4  A 1 
ATOM 34  N N   . LYS A 1 5  ? -4.161  1.551   -5.468  1.00 90.31 5  A 1 
ATOM 35  C CA  . LYS A 1 5  ? -3.565  0.948   -6.652  1.00 89.94 5  A 1 
ATOM 36  C C   . LYS A 1 5  ? -2.832  1.998   -7.457  1.00 89.60 5  A 1 
ATOM 37  O O   . LYS A 1 5  ? -3.278  3.139   -7.570  1.00 86.21 5  A 1 
ATOM 38  C CB  . LYS A 1 5  ? -4.650  0.294   -7.514  1.00 86.77 5  A 1 
ATOM 39  C CG  . LYS A 1 5  ? -4.091  -0.479  -8.697  1.00 79.83 5  A 1 
ATOM 40  C CD  . LYS A 1 5  ? -5.179  -0.824  -9.697  1.00 77.69 5  A 1 
ATOM 41  C CE  . LYS A 1 5  ? -6.237  -1.737  -9.101  1.00 71.04 5  A 1 
ATOM 42  N NZ  . LYS A 1 5  ? -7.260  -2.088  -10.100 1.00 63.84 5  A 1 
ATOM 43  N N   . ARG A 1 6  ? -1.707  1.619   -8.017  1.00 84.97 6  A 1 
ATOM 44  C CA  . ARG A 1 6  ? -0.945  2.526   -8.858  1.00 84.23 6  A 1 
ATOM 45  C C   . ARG A 1 6  ? -1.513  2.527   -10.271 1.00 83.74 6  A 1 
ATOM 46  O O   . ARG A 1 6  ? -2.045  1.509   -10.717 1.00 81.08 6  A 1 
ATOM 47  C CB  . ARG A 1 6  ? 0.525   2.092   -8.894  1.00 81.07 6  A 1 
ATOM 48  C CG  . ARG A 1 6  ? 1.208   2.222   -7.544  1.00 75.18 6  A 1 
ATOM 49  C CD  . ARG A 1 6  ? 2.641   1.713   -7.597  1.00 73.96 6  A 1 
ATOM 50  N NE  . ARG A 1 6  ? 2.689   0.279   -7.893  1.00 69.52 6  A 1 
ATOM 51  C CZ  . ARG A 1 6  ? 3.814   -0.410  -8.008  1.00 64.81 6  A 1 
ATOM 52  N NH1 . ARG A 1 6  ? 4.983   0.179   -7.863  1.00 60.77 6  A 1 
ATOM 53  N NH2 . ARG A 1 6  ? 3.765   -1.707  -8.276  1.00 58.27 6  A 1 
ATOM 54  N N   . PRO A 1 7  ? -1.457  3.644   -10.995 1.00 86.63 7  A 1 
ATOM 55  C CA  . PRO A 1 7  ? -0.775  4.890   -10.637 1.00 85.71 7  A 1 
ATOM 56  C C   . PRO A 1 7  ? -1.663  5.836   -9.826  1.00 86.12 7  A 1 
ATOM 57  O O   . PRO A 1 7  ? -1.462  7.052   -9.828  1.00 80.83 7  A 1 
ATOM 58  C CB  . PRO A 1 7  ? -0.430  5.502   -11.999 1.00 83.35 7  A 1 
ATOM 59  C CG  . PRO A 1 7  ? -1.573  5.081   -12.862 1.00 81.04 7  A 1 
ATOM 60  C CD  . PRO A 1 7  ? -1.977  3.706   -12.359 1.00 83.88 7  A 1 
ATOM 61  N N   . PHE A 1 8  ? -2.612  5.280   -9.147  1.00 85.14 8  A 1 
ATOM 62  C CA  . PHE A 1 8  ? -3.509  6.057   -8.305  1.00 83.58 8  A 1 
ATOM 63  C C   . PHE A 1 8  ? -2.707  6.880   -7.294  1.00 84.43 8  A 1 
ATOM 64  O O   . PHE A 1 8  ? -1.623  6.480   -6.876  1.00 81.76 8  A 1 
ATOM 65  C CB  . PHE A 1 8  ? -4.473  5.120   -7.565  1.00 81.33 8  A 1 
ATOM 66  C CG  . PHE A 1 8  ? -5.833  5.713   -7.341  1.00 77.25 8  A 1 
ATOM 67  C CD1 . PHE A 1 8  ? -6.798  5.664   -8.331  1.00 75.56 8  A 1 
ATOM 68  C CD2 . PHE A 1 8  ? -6.152  6.310   -6.135  1.00 75.65 8  A 1 
ATOM 69  C CE1 . PHE A 1 8  ? -8.058  6.206   -8.133  1.00 72.82 8  A 1 
ATOM 70  C CE2 . PHE A 1 8  ? -7.408  6.861   -5.921  1.00 72.00 8  A 1 
ATOM 71  C CZ  . PHE A 1 8  ? -8.358  6.803   -6.926  1.00 70.59 8  A 1 
ATOM 72  N N   . SER A 1 9  ? -3.258  8.021   -6.913  1.00 85.32 9  A 1 
ATOM 73  C CA  . SER A 1 9  ? -2.582  8.914   -5.974  1.00 83.84 9  A 1 
ATOM 74  C C   . SER A 1 9  ? -2.550  8.295   -4.580  1.00 84.67 9  A 1 
ATOM 75  O O   . SER A 1 9  ? -3.295  8.694   -3.680  1.00 80.89 9  A 1 
ATOM 76  C CB  . SER A 1 9  ? -3.276  10.270  -5.935  1.00 80.32 9  A 1 
ATOM 77  O OG  . SER A 1 9  ? -3.389  10.820  -7.231  1.00 72.44 9  A 1 
ATOM 78  N N   . THR A 1 10 ? -1.679  7.319   -4.416  1.00 84.39 10 A 1 
ATOM 79  C CA  . THR A 1 10 ? -1.576  6.575   -3.172  1.00 83.77 10 A 1 
ATOM 80  C C   . THR A 1 10 ? -1.156  7.461   -2.006  1.00 84.62 10 A 1 
ATOM 81  O O   . THR A 1 10 ? -1.709  7.362   -0.915  1.00 80.90 10 A 1 
ATOM 82  C CB  . THR A 1 10 ? -0.567  5.422   -3.319  1.00 80.96 10 A 1 
ATOM 83  O OG1 . THR A 1 10 ? 0.702   5.931   -3.724  1.00 74.20 10 A 1 
ATOM 84  C CG2 . THR A 1 10 ? -1.061  4.427   -4.353  1.00 74.03 10 A 1 
ATOM 85  N N   . GLY A 1 11 ? -0.189  8.329   -2.272  1.00 83.25 11 A 1 
ATOM 86  C CA  . GLY A 1 11 ? 0.292   9.223   -1.227  1.00 82.51 11 A 1 
ATOM 87  C C   . GLY A 1 11 ? -0.786  10.169  -0.738  1.00 85.08 11 A 1 
ATOM 88  O O   . GLY A 1 11 ? -0.884  10.448  0.455   1.00 81.47 11 A 1 
ATOM 89  N N   . ASP A 1 12 ? -1.597  10.644  -1.664  1.00 83.60 12 A 1 
ATOM 90  C CA  . ASP A 1 12 ? -2.675  11.562  -1.320  1.00 84.39 12 A 1 
ATOM 91  C C   . ASP A 1 12 ? -3.920  10.798  -0.883  1.00 86.70 12 A 1 
ATOM 92  O O   . ASP A 1 12 ? -4.711  11.275  -0.072  1.00 82.95 12 A 1 
ATOM 93  C CB  . ASP A 1 12 ? -3.004  12.461  -2.516  1.00 80.02 12 A 1 
ATOM 94  C CG  . ASP A 1 12 ? -4.030  13.521  -2.171  1.00 73.84 12 A 1 
ATOM 95  O OD1 . ASP A 1 12 ? -3.648  14.550  -1.575  1.00 70.94 12 A 1 
ATOM 96  O OD2 . ASP A 1 12 ? -5.214  13.337  -2.506  1.00 71.19 12 A 1 
ATOM 97  N N   . TYR A 1 13 ? -4.082  9.602   -1.423  1.00 88.53 13 A 1 
ATOM 98  C CA  . TYR A 1 13 ? -5.225  8.764   -1.106  1.00 89.78 13 A 1 
ATOM 99  C C   . TYR A 1 13 ? -5.147  8.265   0.332   1.00 90.97 13 A 1 
ATOM 100 O O   . TYR A 1 13 ? -6.137  8.296   1.069   1.00 89.25 13 A 1 
ATOM 101 C CB  . TYR A 1 13 ? -5.282  7.571   -2.065  1.00 87.85 13 A 1 
ATOM 102 C CG  . TYR A 1 13 ? -6.544  6.749   -1.943  1.00 85.56 13 A 1 
ATOM 103 C CD1 . TYR A 1 13 ? -7.721  7.152   -2.558  1.00 83.60 13 A 1 
ATOM 104 C CD2 . TYR A 1 13 ? -6.554  5.573   -1.204  1.00 83.23 13 A 1 
ATOM 105 C CE1 . TYR A 1 13 ? -8.869  6.409   -2.446  1.00 81.33 13 A 1 
ATOM 106 C CE2 . TYR A 1 13 ? -7.709  4.825   -1.088  1.00 80.97 13 A 1 
ATOM 107 C CZ  . TYR A 1 13 ? -8.861  5.243   -1.707  1.00 80.49 13 A 1 
ATOM 108 O OH  . TYR A 1 13 ? -10.009 4.498   -1.592  1.00 77.88 13 A 1 
ATOM 109 N N   . CYS A 1 14 ? -3.980  7.816   0.706   1.00 92.05 14 A 1 
ATOM 110 C CA  . CYS A 1 14 ? -3.772  7.340   2.060   1.00 92.46 14 A 1 
ATOM 111 C C   . CYS A 1 14 ? -3.692  8.513   3.040   1.00 91.74 14 A 1 
ATOM 112 O O   . CYS A 1 14 ? -3.441  9.652   2.651   1.00 87.81 14 A 1 
ATOM 113 C CB  . CYS A 1 14 ? -2.499  6.494   2.142   1.00 92.28 14 A 1 
ATOM 114 S SG  . CYS A 1 14 ? -2.536  5.005   1.125   1.00 91.73 14 A 1 
ATOM 115 N N   . THR A 1 15 ? -3.909  8.212   4.297   1.00 90.48 15 A 1 
ATOM 116 C CA  . THR A 1 15 ? -3.945  9.249   5.312   1.00 89.96 15 A 1 
ATOM 117 C C   . THR A 1 15 ? -2.575  9.482   5.942   1.00 90.03 15 A 1 
ATOM 118 O O   . THR A 1 15 ? -1.870  8.538   6.291   1.00 86.74 15 A 1 
ATOM 119 C CB  . THR A 1 15 ? -4.947  8.901   6.423   1.00 86.89 15 A 1 
ATOM 120 O OG1 . THR A 1 15 ? -4.679  7.610   6.945   1.00 82.46 15 A 1 
ATOM 121 C CG2 . THR A 1 15 ? -6.367  8.932   5.887   1.00 80.66 15 A 1 
ATOM 122 N N   . GLY A 1 16 ? -2.234  10.752  6.072   1.00 89.68 16 A 1 
ATOM 123 C CA  . GLY A 1 16 ? -1.022  11.159  6.775   1.00 89.30 16 A 1 
ATOM 124 C C   . GLY A 1 16 ? 0.221   10.347  6.480   1.00 90.51 16 A 1 
ATOM 125 O O   . GLY A 1 16 ? 0.768   10.389  5.380   1.00 88.30 16 A 1 
ATOM 126 N N   . THR A 1 17 ? 0.670   9.608   7.473   1.00 91.03 17 A 1 
ATOM 127 C CA  . THR A 1 17 ? 1.913   8.853   7.398   1.00 91.10 17 A 1 
ATOM 128 C C   . THR A 1 17 ? 1.758   7.521   6.672   1.00 91.50 17 A 1 
ATOM 129 O O   . THR A 1 17 ? 2.746   6.873   6.330   1.00 89.97 17 A 1 
ATOM 130 C CB  . THR A 1 17 ? 2.453   8.577   8.807   1.00 89.86 17 A 1 
ATOM 131 O OG1 . THR A 1 17 ? 1.448   7.964   9.607   1.00 85.96 17 A 1 
ATOM 132 C CG2 . THR A 1 17 ? 2.893   9.871   9.475   1.00 84.52 17 A 1 
ATOM 133 N N   . GLN A 1 18 ? 0.527   7.114   6.428   1.00 92.40 18 A 1 
ATOM 134 C CA  . GLN A 1 18 ? 0.280   5.840   5.780   1.00 92.39 18 A 1 
ATOM 135 C C   . GLN A 1 18 ? 0.644   5.880   4.303   1.00 91.81 18 A 1 
ATOM 136 O O   . GLN A 1 18 ? 0.425   6.880   3.616   1.00 89.96 18 A 1 
ATOM 137 C CB  . GLN A 1 18 ? -1.183  5.426   5.941   1.00 91.49 18 A 1 
ATOM 138 C CG  . GLN A 1 18 ? -1.549  5.120   7.385   1.00 89.66 18 A 1 
ATOM 139 C CD  . GLN A 1 18 ? -2.961  4.581   7.516   1.00 88.78 18 A 1 
ATOM 140 O OE1 . GLN A 1 18 ? -3.863  5.009   6.813   1.00 84.72 18 A 1 
ATOM 141 N NE2 . GLN A 1 18 ? -3.159  3.646   8.423   1.00 83.47 18 A 1 
ATOM 142 N N   . THR A 1 19 ? 1.202   4.786   3.827   1.00 91.98 19 A 1 
ATOM 143 C CA  . THR A 1 19 ? 1.641   4.673   2.447   1.00 91.76 19 A 1 
ATOM 144 C C   . THR A 1 19 ? 1.004   3.453   1.799   1.00 92.37 19 A 1 
ATOM 145 O O   . THR A 1 19 ? 0.736   2.454   2.463   1.00 91.00 19 A 1 
ATOM 146 C CB  . THR A 1 19 ? 3.170   4.553   2.364   1.00 89.74 19 A 1 
ATOM 147 O OG1 . THR A 1 19 ? 3.789   5.620   3.091   1.00 82.42 19 A 1 
ATOM 148 C CG2 . THR A 1 19 ? 3.657   4.594   0.925   1.00 81.16 19 A 1 
ATOM 149 N N   . CYS A 1 20 ? 0.759   3.545   0.507   1.00 92.06 20 A 1 
ATOM 150 C CA  . CYS A 1 20 ? 0.177   2.432   -0.223  1.00 92.37 20 A 1 
ATOM 151 C C   . CYS A 1 20 ? 1.198   1.306   -0.374  1.00 92.26 20 A 1 
ATOM 152 O O   . CYS A 1 20 ? 2.112   1.391   -1.185  1.00 90.62 20 A 1 
ATOM 153 C CB  . CYS A 1 20 ? -0.303  2.886   -1.599  1.00 91.80 20 A 1 
ATOM 154 S SG  . CYS A 1 20 ? -1.203  1.623   -2.525  1.00 90.91 20 A 1 
ATOM 155 N N   . CYS A 1 21 ? 1.011   0.265   0.420   1.00 93.03 21 A 1 
ATOM 156 C CA  . CYS A 1 21 ? 1.933   -0.860  0.402   1.00 93.01 21 A 1 
ATOM 157 C C   . CYS A 1 21 ? 1.442   -1.936  -0.554  1.00 92.76 21 A 1 
ATOM 158 O O   . CYS A 1 21 ? 0.416   -2.574  -0.316  1.00 90.92 21 A 1 
ATOM 159 C CB  . CYS A 1 21 ? 2.087   -1.441  1.801   1.00 92.40 21 A 1 
ATOM 160 S SG  . CYS A 1 21 ? 3.381   -2.692  1.929   1.00 89.27 21 A 1 
ATOM 161 N N   . ILE A 1 22 ? 2.190   -2.118  -1.631  1.00 92.08 22 A 1 
ATOM 162 C CA  . ILE A 1 22 ? 1.847   -3.118  -2.632  1.00 91.94 22 A 1 
ATOM 163 C C   . ILE A 1 22 ? 2.968   -4.153  -2.719  1.00 92.69 22 A 1 
ATOM 164 O O   . ILE A 1 22 ? 4.008   -3.897  -3.319  1.00 92.08 22 A 1 
ATOM 165 C CB  . ILE A 1 22 ? 1.616   -2.482  -4.014  1.00 90.48 22 A 1 
ATOM 166 C CG1 . ILE A 1 22 ? 0.538   -1.400  -3.938  1.00 88.17 22 A 1 
ATOM 167 C CG2 . ILE A 1 22 ? 1.229   -3.560  -5.031  1.00 87.50 22 A 1 
ATOM 168 C CD1 . ILE A 1 22 ? 0.363   -0.619  -5.227  1.00 83.42 22 A 1 
ATOM 169 N N   . PRO A 1 23 ? 2.759   -5.324  -2.132  1.00 91.67 23 A 1 
ATOM 170 C CA  . PRO A 1 23 ? 3.760   -6.388  -2.154  1.00 91.75 23 A 1 
ATOM 171 C C   . PRO A 1 23 ? 3.935   -6.954  -3.565  1.00 92.54 23 A 1 
ATOM 172 O O   . PRO A 1 23 ? 3.005   -6.907  -4.376  1.00 91.51 23 A 1 
ATOM 173 C CB  . PRO A 1 23 ? 3.180   -7.448  -1.213  1.00 89.89 23 A 1 
ATOM 174 C CG  . PRO A 1 23 ? 1.716   -7.196  -1.227  1.00 88.08 23 A 1 
ATOM 175 C CD  . PRO A 1 23 ? 1.554   -5.709  -1.407  1.00 91.15 23 A 1 
ATOM 176 N N   . PRO A 1 24 ? 5.112   -7.502  -3.870  1.00 91.87 24 A 1 
ATOM 177 C CA  . PRO A 1 24 ? 5.386   -8.075  -5.182  1.00 92.49 24 A 1 
ATOM 178 C C   . PRO A 1 24 ? 4.461   -9.252  -5.487  1.00 93.05 24 A 1 
ATOM 179 O O   . PRO A 1 24 ? 4.407   -10.230 -4.732  1.00 90.89 24 A 1 
ATOM 180 C CB  . PRO A 1 24 ? 6.846   -8.526  -5.089  1.00 91.02 24 A 1 
ATOM 181 C CG  . PRO A 1 24 ? 7.096   -8.692  -3.627  1.00 88.48 24 A 1 
ATOM 182 C CD  . PRO A 1 24 ? 6.246   -7.652  -2.955  1.00 91.63 24 A 1 
ATOM 183 N N   . GLY A 1 25 ? 3.746   -9.137  -6.591  1.00 92.79 25 A 1 
ATOM 184 C CA  . GLY A 1 25 ? 2.811   -10.189 -6.963  1.00 92.84 25 A 1 
ATOM 185 C C   . GLY A 1 25 ? 1.368   -9.759  -6.818  1.00 93.38 25 A 1 
ATOM 186 O O   . GLY A 1 25 ? 0.462   -10.417 -7.320  1.00 91.25 25 A 1 
ATOM 187 N N   . SER A 1 26 ? 1.171   -8.652  -6.142  1.00 93.22 26 A 1 
ATOM 188 C CA  . SER A 1 26 ? -0.168  -8.137  -5.927  1.00 92.47 26 A 1 
ATOM 189 C C   . SER A 1 26 ? -0.413  -6.902  -6.795  1.00 92.12 26 A 1 
ATOM 190 O O   . SER A 1 26 ? 0.472   -6.071  -6.976  1.00 90.34 26 A 1 
ATOM 191 C CB  . SER A 1 26 ? -0.377  -7.776  -4.460  1.00 90.56 26 A 1 
ATOM 192 O OG  . SER A 1 26 ? -0.191  -8.914  -3.636  1.00 83.95 26 A 1 
ATOM 193 N N   . LEU A 1 27 ? -1.613  -6.806  -7.337  1.00 92.35 27 A 1 
ATOM 194 C CA  . LEU A 1 27 ? -1.972  -5.691  -8.192  1.00 91.67 27 A 1 
ATOM 195 C C   . LEU A 1 27 ? -2.532  -4.530  -7.380  1.00 91.46 27 A 1 
ATOM 196 O O   . LEU A 1 27 ? -2.609  -3.400  -7.853  1.00 89.18 27 A 1 
ATOM 197 C CB  . LEU A 1 27 ? -3.017  -6.136  -9.228  1.00 89.72 27 A 1 
ATOM 198 C CG  . LEU A 1 27 ? -2.546  -7.238  -10.180 1.00 84.00 27 A 1 
ATOM 199 C CD1 . LEU A 1 27 ? -3.701  -7.720  -11.040 1.00 80.84 27 A 1 
ATOM 200 C CD2 . LEU A 1 27 ? -1.403  -6.744  -11.047 1.00 79.08 27 A 1 
ATOM 201 N N   . THR A 1 28 ? -2.922  -4.830  -6.159  1.00 92.61 28 A 1 
ATOM 202 C CA  . THR A 1 28 ? -3.496  -3.822  -5.286  1.00 92.45 28 A 1 
ATOM 203 C C   . THR A 1 28 ? -2.717  -3.731  -3.980  1.00 92.74 28 A 1 
ATOM 204 O O   . THR A 1 28 ? -2.051  -4.673  -3.569  1.00 91.06 28 A 1 
ATOM 205 C CB  . THR A 1 28 ? -4.965  -4.140  -4.959  1.00 90.03 28 A 1 
ATOM 206 O OG1 . THR A 1 28 ? -5.068  -5.448  -4.408  1.00 82.58 28 A 1 
ATOM 207 C CG2 . THR A 1 28 ? -5.820  -4.063  -6.214  1.00 81.01 28 A 1 
ATOM 208 N N   . GLY A 1 29 ? -2.804  -2.573  -3.356  1.00 92.54 29 A 1 
ATOM 209 C CA  . GLY A 1 29 ? -2.120  -2.363  -2.100  1.00 92.58 29 A 1 
ATOM 210 C C   . GLY A 1 29 ? -3.053  -1.851  -1.026  1.00 93.03 29 A 1 
ATOM 211 O O   . GLY A 1 29 ? -4.237  -1.611  -1.276  1.00 91.93 29 A 1 
ATOM 212 N N   . VAL A 1 30 ? -2.514  -1.691  0.160   1.00 93.21 30 A 1 
ATOM 213 C CA  . VAL A 1 30 ? -3.299  -1.216  1.288   1.00 93.32 30 A 1 
ATOM 214 C C   . VAL A 1 30 ? -2.541  -0.099  2.003   1.00 93.78 30 A 1 
ATOM 215 O O   . VAL A 1 30 ? -1.318  -0.159  2.144   1.00 92.86 30 A 1 
ATOM 216 C CB  . VAL A 1 30 ? -3.595  -2.349  2.293   1.00 92.22 30 A 1 
ATOM 217 C CG1 . VAL A 1 30 ? -4.555  -1.868  3.370   1.00 88.33 30 A 1 
ATOM 218 C CG2 . VAL A 1 30 ? -4.179  -3.557  1.576   1.00 88.68 30 A 1 
ATOM 219 N N   . CYS A 1 31 ? -3.265  0.915   2.428   1.00 93.60 31 A 1 
ATOM 220 C CA  . CYS A 1 31 ? -2.645  2.017   3.139   1.00 94.19 31 A 1 
ATOM 221 C C   . CYS A 1 31 ? -2.189  1.569   4.526   1.00 94.42 31 A 1 
ATOM 222 O O   . CYS A 1 31 ? -2.998  1.312   5.417   1.00 93.12 31 A 1 
ATOM 223 C CB  . CYS A 1 31 ? -3.623  3.189   3.262   1.00 93.25 31 A 1 
ATOM 224 S SG  . CYS A 1 31 ? -4.107  3.928   1.686   1.00 92.03 31 A 1 
ATOM 225 N N   . LYS A 1 32 ? -0.868  1.471   4.687   1.00 93.89 32 A 1 
ATOM 226 C CA  . LYS A 1 32 ? -0.280  1.052   5.947   1.00 94.15 32 A 1 
ATOM 227 C C   . LYS A 1 32 ? 0.899   1.951   6.302   1.00 94.49 32 A 1 
ATOM 228 O O   . LYS A 1 32 ? 1.362   2.742   5.484   1.00 94.10 32 A 1 
ATOM 229 C CB  . LYS A 1 32 ? 0.210   -0.402  5.857   1.00 93.54 32 A 1 
ATOM 230 C CG  . LYS A 1 32 ? -0.900  -1.406  5.591   1.00 91.36 32 A 1 
ATOM 231 C CD  . LYS A 1 32 ? -0.340  -2.820  5.521   1.00 89.07 32 A 1 
ATOM 232 C CE  . LYS A 1 32 ? -1.425  -3.833  5.233   1.00 84.97 32 A 1 
ATOM 233 N NZ  . LYS A 1 32 ? -0.871  -5.205  5.145   1.00 79.06 32 A 1 
ATOM 234 N N   . GLU A 1 33 ? 1.367   1.808   7.511   1.00 94.15 33 A 1 
ATOM 235 C CA  . GLU A 1 33 ? 2.523   2.573   7.949   1.00 94.13 33 A 1 
ATOM 236 C C   . GLU A 1 33 ? 3.774   2.081   7.216   1.00 94.19 33 A 1 
ATOM 237 O O   . GLU A 1 33 ? 3.854   0.913   6.839   1.00 92.76 33 A 1 
ATOM 238 C CB  . GLU A 1 33 ? 2.718   2.425   9.455   1.00 93.25 33 A 1 
ATOM 239 C CG  . GLU A 1 33 ? 1.581   3.010   10.273  1.00 88.07 33 A 1 
ATOM 240 C CD  . GLU A 1 33 ? 1.461   4.513   10.093  1.00 85.29 33 A 1 
ATOM 241 O OE1 . GLU A 1 33 ? 2.468   5.213   10.283  1.00 80.55 33 A 1 
ATOM 242 O OE2 . GLU A 1 33 ? 0.361   4.993   9.765   1.00 81.61 33 A 1 
ATOM 243 N N   . PRO A 1 34 ? 4.762   2.967   7.016   1.00 94.17 34 A 1 
ATOM 244 C CA  . PRO A 1 34 ? 5.999   2.584   6.319   1.00 93.77 34 A 1 
ATOM 245 C C   . PRO A 1 34 ? 6.744   1.462   7.023   1.00 93.88 34 A 1 
ATOM 246 O O   . PRO A 1 34 ? 7.479   0.705   6.385   1.00 92.06 34 A 1 
ATOM 247 C CB  . PRO A 1 34 ? 6.830   3.883   6.326   1.00 92.17 34 A 1 
ATOM 248 C CG  . PRO A 1 34 ? 6.255   4.698   7.432   1.00 90.45 34 A 1 
ATOM 249 C CD  . PRO A 1 34 ? 4.795   4.364   7.460   1.00 93.10 34 A 1 
ATOM 250 N N   . ASP A 1 35 ? 6.538   1.346   8.332   1.00 94.22 35 A 1 
ATOM 251 C CA  . ASP A 1 35 ? 7.175   0.289   9.104   1.00 94.32 35 A 1 
ATOM 252 C C   . ASP A 1 35 ? 6.554   -1.070  8.811   1.00 94.64 35 A 1 
ATOM 253 O O   . ASP A 1 35 ? 7.218   -2.100  8.878   1.00 92.57 35 A 1 
ATOM 254 C CB  . ASP A 1 35 ? 7.064   0.580   10.597  1.00 92.83 35 A 1 
ATOM 255 C CG  . ASP A 1 35 ? 7.695   1.903   10.973  1.00 83.57 35 A 1 
ATOM 256 O OD1 . ASP A 1 35 ? 8.938   1.964   11.074  1.00 80.16 35 A 1 
ATOM 257 O OD2 . ASP A 1 35 ? 6.962   2.874   11.183  1.00 80.55 35 A 1 
ATOM 258 N N   . GLU A 1 36 ? 5.274   -1.047  8.487   1.00 94.46 36 A 1 
ATOM 259 C CA  . GLU A 1 36 ? 4.562   -2.272  8.187   1.00 93.38 36 A 1 
ATOM 260 C C   . GLU A 1 36 ? 4.863   -2.760  6.776   1.00 92.80 36 A 1 
ATOM 261 O O   . GLU A 1 36 ? 4.836   -3.961  6.501   1.00 90.53 36 A 1 
ATOM 262 C CB  . GLU A 1 36 ? 3.054   -2.060  8.337   1.00 91.56 36 A 1 
ATOM 263 C CG  . GLU A 1 36 ? 2.632   -1.682  9.740   1.00 84.41 36 A 1 
ATOM 264 C CD  . GLU A 1 36 ? 1.133   -1.479  9.847   1.00 81.49 36 A 1 
ATOM 265 O OE1 . GLU A 1 36 ? 0.407   -2.476  10.002  1.00 78.33 36 A 1 
ATOM 266 O OE2 . GLU A 1 36 ? 0.689   -0.328  9.768   1.00 78.50 36 A 1 
ATOM 267 N N   . CYS A 1 37 ? 5.148   -1.819  5.895   1.00 93.46 37 A 1 
ATOM 268 C CA  . CYS A 1 37 ? 5.439   -2.155  4.511   1.00 91.66 37 A 1 
ATOM 269 C C   . CYS A 1 37 ? 6.930   -2.411  4.303   1.00 89.72 37 A 1 
ATOM 270 O O   . CYS A 1 37 ? 7.749   -1.510  4.420   1.00 82.99 37 A 1 
ATOM 271 C CB  . CYS A 1 37 ? 4.974   -1.023  3.585   1.00 89.48 37 A 1 
ATOM 272 S SG  . CYS A 1 37 ? 4.949   -1.487  1.833   1.00 86.23 37 A 1 
ATOM 273 N N   . GLN A 1 38 ? 7.252   -3.647  4.000   1.00 84.37 38 A 1 
ATOM 274 C CA  . GLN A 1 38 ? 8.628   -4.032  3.762   1.00 82.33 38 A 1 
ATOM 275 C C   . GLN A 1 38 ? 8.809   -4.485  2.312   1.00 78.10 38 A 1 
ATOM 276 O O   . GLN A 1 38 ? 8.271   -5.529  1.930   1.00 71.65 38 A 1 
ATOM 277 C CB  . GLN A 1 38 ? 9.056   -5.146  4.729   1.00 77.42 38 A 1 
ATOM 278 C CG  . GLN A 1 38 ? 8.114   -6.337  4.734   1.00 71.11 38 A 1 
ATOM 279 C CD  . GLN A 1 38 ? 8.637   -7.500  5.576   1.00 65.82 38 A 1 
ATOM 280 O OE1 . GLN A 1 38 ? 9.160   -7.300  6.668   1.00 63.12 38 A 1 
ATOM 281 N NE2 . GLN A 1 38 ? 8.491   -8.715  5.065   1.00 61.23 38 A 1 
ATOM 282 O OXT . GLN A 1 38 ? 9.486   -3.811  1.526   1.00 68.11 38 A 1 
#
