# 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_if04149
#
_entry.id if04149
#
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 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 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 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 O2"    103.120 UNK y UNKNOWN         CC[C@H](N)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 MET 1  
1 n ALA 2  
1 n ASN 3  
1 n LYS 4  
1 n VAL 5  
1 n ASN 6  
1 n ASP 7  
1 n SER 8  
1 n CYS 9  
1 n VAL 10 
1 n ASN 11 
1 n CYS 12 
1 n GLY 13 
1 n ALA 14 
1 n CYS 15 
1 n ASP 16 
1 n SER 17 
1 n GLU 18 
1 n CYS 19 
1 n PRO 20 
1 n ILE 21 
1 n GLY 22 
1 n ALA 23 
1 n ILE 24 
1 n SER 25 
1 n GLU 26 
1 n LYS 27 
1 n ASP 28 
1 n GLY 29 
1 n LYS 30 
1 n ARG 31 
1 n ALA 32 
1 n ILE 33 
1 n ASP 34 
1 n PRO 35 
1 n GLY 36 
1 n UNK 37 
1 n UNK 38 
1 n ALA 39 
1 n VAL 40 
1 n VAL 41 
1 n PRO 42 
1 n VAL 43 
#
_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 (3.0.0 @ 2025-11-14 02:17:35)"
_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 64.73
_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 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 ALA . 2  A 2  
A 3  1 n ASN . 3  A 3  
A 4  1 n LYS . 4  A 4  
A 5  1 n VAL . 5  A 5  
A 6  1 n ASN . 6  A 6  
A 7  1 n ASP . 7  A 7  
A 8  1 n SER . 8  A 8  
A 9  1 n CYS . 9  A 9  
A 10 1 n VAL . 10 A 10 
A 11 1 n ASN . 11 A 11 
A 12 1 n CYS . 12 A 12 
A 13 1 n GLY . 13 A 13 
A 14 1 n ALA . 14 A 14 
A 15 1 n CYS . 15 A 15 
A 16 1 n ASP . 16 A 16 
A 17 1 n SER . 17 A 17 
A 18 1 n GLU . 18 A 18 
A 19 1 n CYS . 19 A 19 
A 20 1 n PRO . 20 A 20 
A 21 1 n ILE . 21 A 21 
A 22 1 n GLY . 22 A 22 
A 23 1 n ALA . 23 A 23 
A 24 1 n ILE . 24 A 24 
A 25 1 n SER . 25 A 25 
A 26 1 n GLU . 26 A 26 
A 27 1 n LYS . 27 A 27 
A 28 1 n ASP . 28 A 28 
A 29 1 n GLY . 29 A 29 
A 30 1 n LYS . 30 A 30 
A 31 1 n ARG . 31 A 31 
A 32 1 n ALA . 32 A 32 
A 33 1 n ILE . 33 A 33 
A 34 1 n ASP . 34 A 34 
A 35 1 n PRO . 35 A 35 
A 36 1 n GLY . 36 A 36 
A 37 1 n UNK . 37 A 37 
A 38 1 n UNK . 38 A 38 
A 39 1 n ALA . 39 A 39 
A 40 1 n VAL . 40 A 40 
A 41 1 n VAL . 41 A 41 
A 42 1 n PRO . 42 A 42 
A 43 1 n VAL . 43 A 43 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (3ba2d0388b83b90ab601e399702e005f73b6587c61cc70b0a0466583b05b47e1)"
#
_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  ? 1.561   9.482   4.340   1.00 57.08 1  A 1 
ATOM   2   C CA  . MET A 1 1  ? 0.236   8.990   4.778   1.00 60.50 1  A 1 
ATOM   3   C C   . MET A 1 1  ? 0.175   7.497   4.500   1.00 61.29 1  A 1 
ATOM   4   O O   . MET A 1 1  ? 0.692   7.075   3.468   1.00 59.16 1  A 1 
ATOM   5   C CB  . MET A 1 1  ? -0.905  9.722   4.050   1.00 58.04 1  A 1 
ATOM   6   C CG  . MET A 1 1  ? -1.048  11.171  4.539   1.00 52.64 1  A 1 
ATOM   7   S SD  . MET A 1 1  ? -2.360  12.058  3.666   1.00 48.88 1  A 1 
ATOM   8   C CE  . MET A 1 1  ? -2.306  13.640  4.518   1.00 45.13 1  A 1 
ATOM   9   N N   . ALA A 1 2  ? -0.400  6.720   5.403   1.00 67.09 2  A 1 
ATOM   10  C CA  . ALA A 1 2  ? -0.599  5.285   5.247   1.00 68.80 2  A 1 
ATOM   11  C C   . ALA A 1 2  ? -2.102  4.965   5.244   1.00 70.68 2  A 1 
ATOM   12  O O   . ALA A 1 2  ? -2.899  5.680   5.854   1.00 67.74 2  A 1 
ATOM   13  C CB  . ALA A 1 2  ? 0.165   4.553   6.353   1.00 65.08 2  A 1 
ATOM   14  N N   . ASN A 1 3  ? -2.492  3.920   4.515   1.00 72.40 3  A 1 
ATOM   15  C CA  . ASN A 1 3  ? -3.864  3.430   4.448   1.00 73.28 3  A 1 
ATOM   16  C C   . ASN A 1 3  ? -3.968  2.127   5.236   1.00 74.13 3  A 1 
ATOM   17  O O   . ASN A 1 3  ? -3.126  1.245   5.078   1.00 71.99 3  A 1 
ATOM   18  C CB  . ASN A 1 3  ? -4.266  3.221   2.979   1.00 71.48 3  A 1 
ATOM   19  C CG  . ASN A 1 3  ? -4.648  4.515   2.292   1.00 66.90 3  A 1 
ATOM   20  O OD1 . ASN A 1 3  ? -3.954  5.516   2.309   1.00 61.47 3  A 1 
ATOM   21  N ND2 . ASN A 1 3  ? -5.793  4.556   1.662   1.00 61.48 3  A 1 
ATOM   22  N N   . LYS A 1 4  ? -5.014  1.980   6.044   1.00 71.29 4  A 1 
ATOM   23  C CA  . LYS A 1 4  ? -5.252  0.721   6.760   1.00 73.35 4  A 1 
ATOM   24  C C   . LYS A 1 4  ? -5.563  -0.406  5.781   1.00 74.32 4  A 1 
ATOM   25  O O   . LYS A 1 4  ? -6.309  -0.210  4.820   1.00 73.17 4  A 1 
ATOM   26  C CB  . LYS A 1 4  ? -6.370  0.873   7.799   1.00 71.76 4  A 1 
ATOM   27  C CG  . LYS A 1 4  ? -5.890  1.737   8.970   1.00 67.02 4  A 1 
ATOM   28  C CD  . LYS A 1 4  ? -6.879  1.685   10.135  1.00 64.06 4  A 1 
ATOM   29  C CE  . LYS A 1 4  ? -6.273  2.446   11.311  1.00 60.13 4  A 1 
ATOM   30  N NZ  . LYS A 1 4  ? -7.067  2.290   12.547  1.00 53.93 4  A 1 
ATOM   31  N N   . VAL A 1 5  ? -5.008  -1.586  6.056   1.00 72.21 5  A 1 
ATOM   32  C CA  . VAL A 1 5  ? -5.309  -2.812  5.325   1.00 72.42 5  A 1 
ATOM   33  C C   . VAL A 1 5  ? -6.777  -3.182  5.557   1.00 73.69 5  A 1 
ATOM   34  O O   . VAL A 1 5  ? -7.268  -3.174  6.685   1.00 70.94 5  A 1 
ATOM   35  C CB  . VAL A 1 5  ? -4.364  -3.956  5.734   1.00 69.96 5  A 1 
ATOM   36  C CG1 . VAL A 1 5  ? -4.645  -5.232  4.940   1.00 64.14 5  A 1 
ATOM   37  C CG2 . VAL A 1 5  ? -2.900  -3.571  5.496   1.00 64.48 5  A 1 
ATOM   38  N N   . ASN A 1 6  ? -7.494  -3.468  4.466   1.00 72.57 6  A 1 
ATOM   39  C CA  . ASN A 1 6  ? -8.891  -3.895  4.479   1.00 73.66 6  A 1 
ATOM   40  C C   . ASN A 1 6  ? -9.146  -4.861  3.311   1.00 75.86 6  A 1 
ATOM   41  O O   . ASN A 1 6  ? -8.245  -5.119  2.512   1.00 74.13 6  A 1 
ATOM   42  C CB  . ASN A 1 6  ? -9.795  -2.644  4.442   1.00 71.25 6  A 1 
ATOM   43  C CG  . ASN A 1 6  ? -9.624  -1.788  3.199   1.00 66.17 6  A 1 
ATOM   44  O OD1 . ASN A 1 6  ? -9.720  -2.239  2.074   1.00 61.14 6  A 1 
ATOM   45  N ND2 . ASN A 1 6  ? -9.394  -0.509  3.349   1.00 61.59 6  A 1 
ATOM   46  N N   . ASP A 1 7  ? -10.373 -5.363  3.168   1.00 69.42 7  A 1 
ATOM   47  C CA  . ASP A 1 7  ? -10.766 -6.296  2.097   1.00 70.77 7  A 1 
ATOM   48  C C   . ASP A 1 7  ? -10.554 -5.752  0.672   1.00 73.26 7  A 1 
ATOM   49  O O   . ASP A 1 7  ? -10.472 -6.519  -0.291  1.00 71.01 7  A 1 
ATOM   50  C CB  . ASP A 1 7  ? -12.245 -6.653  2.273   1.00 68.44 7  A 1 
ATOM   51  C CG  . ASP A 1 7  ? -12.479 -7.414  3.568   1.00 62.38 7  A 1 
ATOM   52  O OD1 . ASP A 1 7  ? -12.213 -8.640  3.563   1.00 58.49 7  A 1 
ATOM   53  O OD2 . ASP A 1 7  ? -12.890 -6.760  4.551   1.00 56.28 7  A 1 
ATOM   54  N N   . SER A 1 8  ? -10.453 -4.438  0.513   1.00 73.65 8  A 1 
ATOM   55  C CA  . SER A 1 8  ? -10.131 -3.803  -0.767  1.00 75.25 8  A 1 
ATOM   56  C C   . SER A 1 8  ? -8.632  -3.839  -1.083  1.00 77.76 8  A 1 
ATOM   57  O O   . SER A 1 8  ? -8.253  -3.522  -2.209  1.00 74.57 8  A 1 
ATOM   58  C CB  . SER A 1 8  ? -10.628 -2.355  -0.800  1.00 73.74 8  A 1 
ATOM   59  O OG  . SER A 1 8  ? -11.994 -2.275  -0.439  1.00 65.12 8  A 1 
ATOM   60  N N   . CYS A 1 9  ? -7.779  -4.220  -0.128  1.00 76.51 9  A 1 
ATOM   61  C CA  . CYS A 1 9  ? -6.342  -4.339  -0.329  1.00 76.61 9  A 1 
ATOM   62  C C   . CYS A 1 9  ? -5.976  -5.743  -0.820  1.00 76.60 9  A 1 
ATOM   63  O O   . CYS A 1 9  ? -6.298  -6.749  -0.198  1.00 74.49 9  A 1 
ATOM   64  C CB  . CYS A 1 9  ? -5.595  -3.991  0.964   1.00 75.42 9  A 1 
ATOM   65  S SG  . CYS A 1 9  ? -5.790  -2.234  1.374   1.00 71.42 9  A 1 
ATOM   66  N N   . VAL A 1 10 ? -5.246  -5.800  -1.933  1.00 76.05 10 A 1 
ATOM   67  C CA  . VAL A 1 10 ? -4.753  -7.044  -2.529  1.00 74.90 10 A 1 
ATOM   68  C C   . VAL A 1 10 ? -3.225  -7.054  -2.473  1.00 73.68 10 A 1 
ATOM   69  O O   . VAL A 1 10 ? -2.576  -6.034  -2.676  1.00 69.33 10 A 1 
ATOM   70  C CB  . VAL A 1 10 ? -5.285  -7.210  -3.968  1.00 73.84 10 A 1 
ATOM   71  C CG1 . VAL A 1 10 ? -4.894  -8.568  -4.559  1.00 68.06 10 A 1 
ATOM   72  C CG2 . VAL A 1 10 ? -6.820  -7.125  -4.014  1.00 69.20 10 A 1 
ATOM   73  N N   . ASN A 1 11 ? -2.638  -8.227  -2.210  1.00 69.02 11 A 1 
ATOM   74  C CA  . ASN A 1 11 ? -1.186  -8.426  -2.236  1.00 66.88 11 A 1 
ATOM   75  C C   . ASN A 1 11 ? -0.387  -7.547  -1.245  1.00 66.82 11 A 1 
ATOM   76  O O   . ASN A 1 11 ? 0.790   -7.288  -1.452  1.00 62.89 11 A 1 
ATOM   77  C CB  . ASN A 1 11 ? -0.710  -8.322  -3.697  1.00 63.35 11 A 1 
ATOM   78  C CG  . ASN A 1 11 ? 0.579   -9.058  -3.957  1.00 57.72 11 A 1 
ATOM   79  O OD1 . ASN A 1 11 ? 0.885   -10.055 -3.325  1.00 52.78 11 A 1 
ATOM   80  N ND2 . ASN A 1 11 ? 1.341   -8.629  -4.936  1.00 52.98 11 A 1 
ATOM   81  N N   . CYS A 1 12 ? -1.005  -7.127  -0.148  1.00 63.16 12 A 1 
ATOM   82  C CA  . CYS A 1 12 ? -0.339  -6.364  0.916   1.00 60.70 12 A 1 
ATOM   83  C C   . CYS A 1 12 ? 0.495   -7.255  1.858   1.00 59.74 12 A 1 
ATOM   84  O O   . CYS A 1 12 ? 0.473   -7.084  3.071   1.00 55.48 12 A 1 
ATOM   85  C CB  . CYS A 1 12 ? -1.378  -5.512  1.670   1.00 58.16 12 A 1 
ATOM   86  S SG  . CYS A 1 12 ? -1.890  -4.042  0.733   1.00 53.91 12 A 1 
ATOM   87  N N   . GLY A 1 13 ? 1.231   -8.216  1.320   1.00 59.16 13 A 1 
ATOM   88  C CA  . GLY A 1 13 ? 2.016   -9.162  2.125   1.00 57.84 13 A 1 
ATOM   89  C C   . GLY A 1 13 ? 3.159   -8.533  2.929   1.00 57.92 13 A 1 
ATOM   90  O O   . GLY A 1 13 ? 3.656   -9.156  3.862   1.00 55.56 13 A 1 
ATOM   91  N N   . ALA A 1 14 ? 3.565   -7.305  2.589   1.00 57.42 14 A 1 
ATOM   92  C CA  . ALA A 1 14 ? 4.582   -6.547  3.321   1.00 57.28 14 A 1 
ATOM   93  C C   . ALA A 1 14 ? 3.993   -5.596  4.380   1.00 58.28 14 A 1 
ATOM   94  O O   . ALA A 1 14 ? 4.745   -4.938  5.095   1.00 55.44 14 A 1 
ATOM   95  C CB  . ALA A 1 14 ? 5.442   -5.791  2.301   1.00 54.00 14 A 1 
ATOM   96  N N   . CYS A 1 15 ? 2.666   -5.506  4.470   1.00 58.71 15 A 1 
ATOM   97  C CA  . CYS A 1 15 ? 1.983   -4.630  5.415   1.00 59.03 15 A 1 
ATOM   98  C C   . CYS A 1 15 ? 1.360   -5.459  6.543   1.00 60.33 15 A 1 
ATOM   99  O O   . CYS A 1 15 ? 0.615   -6.398  6.281   1.00 57.00 15 A 1 
ATOM   100 C CB  . CYS A 1 15 ? 0.903   -3.829  4.686   1.00 56.16 15 A 1 
ATOM   101 S SG  . CYS A 1 15 ? 1.513   -2.744  3.361   1.00 52.74 15 A 1 
ATOM   102 N N   . ASP A 1 16 ? 1.613   -5.052  7.774   1.00 60.48 16 A 1 
ATOM   103 C CA  . ASP A 1 16 ? 0.977   -5.663  8.949   1.00 61.91 16 A 1 
ATOM   104 C C   . ASP A 1 16 ? -0.416  -5.067  9.189   1.00 64.55 16 A 1 
ATOM   105 O O   . ASP A 1 16 ? -1.413  -5.779  9.278   1.00 62.05 16 A 1 
ATOM   106 C CB  . ASP A 1 16 ? 1.900   -5.451  10.160  1.00 58.45 16 A 1 
ATOM   107 C CG  . ASP A 1 16 ? 1.375   -6.176  11.392  1.00 53.67 16 A 1 
ATOM   108 O OD1 . ASP A 1 16 ? 0.753   -5.496  12.246  1.00 49.80 16 A 1 
ATOM   109 O OD2 . ASP A 1 16 ? 1.589   -7.401  11.468  1.00 48.23 16 A 1 
ATOM   110 N N   . SER A 1 17 ? -0.500  -3.738  9.220   1.00 64.42 17 A 1 
ATOM   111 C CA  . SER A 1 17 ? -1.743  -3.005  9.489   1.00 66.01 17 A 1 
ATOM   112 C C   . SER A 1 17 ? -1.990  -1.840  8.530   1.00 67.99 17 A 1 
ATOM   113 O O   . SER A 1 17 ? -3.138  -1.446  8.333   1.00 66.29 17 A 1 
ATOM   114 C CB  . SER A 1 17 ? -1.718  -2.485  10.925  1.00 62.91 17 A 1 
ATOM   115 O OG  . SER A 1 17 ? -1.731  -3.551  11.858  1.00 56.67 17 A 1 
ATOM   116 N N   . GLU A 1 18 ? -0.940  -1.264  7.962   1.00 67.52 18 A 1 
ATOM   117 C CA  . GLU A 1 18 ? -1.020  -0.070  7.118   1.00 68.73 18 A 1 
ATOM   118 C C   . GLU A 1 18 ? -0.105  -0.194  5.897   1.00 69.93 18 A 1 
ATOM   119 O O   . GLU A 1 18 ? 1.056   -0.593  6.003   1.00 68.52 18 A 1 
ATOM   120 C CB  . GLU A 1 18 ? -0.693  1.199   7.930   1.00 67.29 18 A 1 
ATOM   121 C CG  . GLU A 1 18 ? -1.667  1.428   9.096   1.00 61.93 18 A 1 
ATOM   122 C CD  . GLU A 1 18 ? -1.404  2.748   9.826   1.00 59.37 18 A 1 
ATOM   123 O OE1 . GLU A 1 18 ? -2.189  3.700   9.605   1.00 55.72 18 A 1 
ATOM   124 O OE2 . GLU A 1 18 ? -0.436  2.799   10.619  1.00 55.02 18 A 1 
ATOM   125 N N   . CYS A 1 19 ? -0.623  0.166   4.719   1.00 72.73 19 A 1 
ATOM   126 C CA  . CYS A 1 19 ? 0.130   0.203   3.472   1.00 71.99 19 A 1 
ATOM   127 C C   . CYS A 1 19 ? 0.540   1.649   3.145   1.00 72.24 19 A 1 
ATOM   128 O O   . CYS A 1 19 ? -0.285  2.555   3.246   1.00 69.97 19 A 1 
ATOM   129 C CB  . CYS A 1 19 ? -0.706  -0.390  2.330   1.00 70.20 19 A 1 
ATOM   130 S SG  . CYS A 1 19 ? -1.160  -2.136  2.558   1.00 65.70 19 A 1 
ATOM   131 N N   . PRO A 1 20 ? 1.788   1.889   2.704   1.00 70.48 20 A 1 
ATOM   132 C CA  . PRO A 1 20 ? 2.233   3.217   2.295   1.00 70.04 20 A 1 
ATOM   133 C C   . PRO A 1 20 ? 1.474   3.661   1.038   1.00 71.18 20 A 1 
ATOM   134 O O   . PRO A 1 20 ? 1.485   2.969   0.022   1.00 69.81 20 A 1 
ATOM   135 C CB  . PRO A 1 20 ? 3.742   3.082   2.061   1.00 67.78 20 A 1 
ATOM   136 C CG  . PRO A 1 20 ? 3.932   1.616   1.690   1.00 66.04 20 A 1 
ATOM   137 C CD  . PRO A 1 20 ? 2.847   0.899   2.484   1.00 66.57 20 A 1 
ATOM   138 N N   . ILE A 1 21 ? 0.838   4.823   1.081   1.00 69.24 21 A 1 
ATOM   139 C CA  . ILE A 1 21 ? -0.022  5.308   -0.013  1.00 70.01 21 A 1 
ATOM   140 C C   . ILE A 1 21 ? 0.730   5.451   -1.347  1.00 70.67 21 A 1 
ATOM   141 O O   . ILE A 1 21 ? 0.148   5.247   -2.402  1.00 68.44 21 A 1 
ATOM   142 C CB  . ILE A 1 21 ? -0.720  6.620   0.418   1.00 69.33 21 A 1 
ATOM   143 C CG1 . ILE A 1 21 ? -1.921  6.920   -0.505  1.00 65.25 21 A 1 
ATOM   144 C CG2 . ILE A 1 21 ? 0.258   7.809   0.470   1.00 63.98 21 A 1 
ATOM   145 C CD1 . ILE A 1 21 ? -2.858  7.997   0.036   1.00 61.04 21 A 1 
ATOM   146 N N   . GLY A 1 22 ? 2.025   5.755   -1.307  1.00 71.88 22 A 1 
ATOM   147 C CA  . GLY A 1 22 ? 2.865   5.888   -2.504  1.00 71.16 22 A 1 
ATOM   148 C C   . GLY A 1 22 ? 3.184   4.562   -3.210  1.00 72.91 22 A 1 
ATOM   149 O O   . GLY A 1 22 ? 3.622   4.588   -4.354  1.00 70.28 22 A 1 
ATOM   150 N N   . ALA A 1 23 ? 2.962   3.419   -2.553  1.00 71.48 23 A 1 
ATOM   151 C CA  . ALA A 1 23 ? 3.186   2.088   -3.118  1.00 71.51 23 A 1 
ATOM   152 C C   . ALA A 1 23 ? 1.873   1.385   -3.514  1.00 74.02 23 A 1 
ATOM   153 O O   . ALA A 1 23 ? 1.892   0.235   -3.941  1.00 72.83 23 A 1 
ATOM   154 C CB  . ALA A 1 23 ? 3.999   1.270   -2.108  1.00 67.84 23 A 1 
ATOM   155 N N   . ILE A 1 24 ? 0.736   2.063   -3.338  1.00 75.02 24 A 1 
ATOM   156 C CA  . ILE A 1 24 ? -0.584  1.498   -3.621  1.00 77.01 24 A 1 
ATOM   157 C C   . ILE A 1 24 ? -1.013  1.885   -5.034  1.00 77.81 24 A 1 
ATOM   158 O O   . ILE A 1 24 ? -1.138  3.064   -5.358  1.00 77.42 24 A 1 
ATOM   159 C CB  . ILE A 1 24 ? -1.626  1.937   -2.569  1.00 76.22 24 A 1 
ATOM   160 C CG1 . ILE A 1 24 ? -1.211  1.479   -1.153  1.00 72.36 24 A 1 
ATOM   161 C CG2 . ILE A 1 24 ? -3.010  1.372   -2.916  1.00 70.58 24 A 1 
ATOM   162 C CD1 . ILE A 1 24 ? -2.116  2.008   -0.039  1.00 69.32 24 A 1 
ATOM   163 N N   . SER A 1 25 ? -1.317  0.885   -5.848  1.00 78.39 25 A 1 
ATOM   164 C CA  . SER A 1 25 ? -2.006  1.050   -7.125  1.00 78.59 25 A 1 
ATOM   165 C C   . SER A 1 25 ? -3.481  0.695   -6.952  1.00 79.96 25 A 1 
ATOM   166 O O   . SER A 1 25 ? -3.810  -0.374  -6.439  1.00 79.24 25 A 1 
ATOM   167 C CB  . SER A 1 25 ? -1.354  0.174   -8.194  1.00 76.35 25 A 1 
ATOM   168 O OG  . SER A 1 25 ? -0.030  0.620   -8.430  1.00 68.28 25 A 1 
ATOM   169 N N   . GLU A 1 26 ? -4.384  1.573   -7.374  1.00 78.26 26 A 1 
ATOM   170 C CA  . GLU A 1 26 ? -5.819  1.289   -7.364  1.00 78.89 26 A 1 
ATOM   171 C C   . GLU A 1 26 ? -6.255  0.788   -8.743  1.00 79.78 26 A 1 
ATOM   172 O O   . GLU A 1 26 ? -6.060  1.456   -9.761  1.00 79.22 26 A 1 
ATOM   173 C CB  . GLU A 1 26 ? -6.637  2.503   -6.881  1.00 77.01 26 A 1 
ATOM   174 C CG  . GLU A 1 26 ? -6.300  2.873   -5.432  1.00 69.95 26 A 1 
ATOM   175 C CD  . GLU A 1 26 ? -7.250  3.916   -4.823  1.00 66.98 26 A 1 
ATOM   176 O OE1 . GLU A 1 26 ? -8.070  3.535   -3.953  1.00 62.25 26 A 1 
ATOM   177 O OE2 . GLU A 1 26 ? -7.120  5.108   -5.167  1.00 62.36 26 A 1 
ATOM   178 N N   . LYS A 1 27 ? -6.837  -0.417  -8.787  1.00 79.09 27 A 1 
ATOM   179 C CA  . LYS A 1 27 ? -7.374  -1.027  -10.004 1.00 79.59 27 A 1 
ATOM   180 C C   . LYS A 1 27 ? -8.657  -1.784  -9.682  1.00 80.88 27 A 1 
ATOM   181 O O   . LYS A 1 27 ? -8.708  -2.526  -8.707  1.00 79.62 27 A 1 
ATOM   182 C CB  . LYS A 1 27 ? -6.306  -1.929  -10.639 1.00 76.13 27 A 1 
ATOM   183 C CG  . LYS A 1 27 ? -6.740  -2.384  -12.033 1.00 68.86 27 A 1 
ATOM   184 C CD  . LYS A 1 27 ? -5.667  -3.241  -12.700 1.00 67.04 27 A 1 
ATOM   185 C CE  . LYS A 1 27 ? -6.188  -3.671  -14.071 1.00 60.15 27 A 1 
ATOM   186 N NZ  . LYS A 1 27 ? -5.237  -4.559  -14.772 1.00 55.58 27 A 1 
ATOM   187 N N   . ASP A 1 28 ? -9.697  -1.589  -10.494 1.00 81.82 28 A 1 
ATOM   188 C CA  . ASP A 1 28 ? -10.995 -2.264  -10.330 1.00 82.82 28 A 1 
ATOM   189 C C   . ASP A 1 28 ? -11.617 -2.078  -8.929  1.00 84.34 28 A 1 
ATOM   190 O O   . ASP A 1 28 ? -12.271 -2.970  -8.388  1.00 81.89 28 A 1 
ATOM   191 C CB  . ASP A 1 28 ? -10.880 -3.733  -10.776 1.00 80.83 28 A 1 
ATOM   192 C CG  . ASP A 1 28 ? -10.527 -3.842  -12.260 1.00 75.00 28 A 1 
ATOM   193 O OD1 . ASP A 1 28 ? -11.450 -3.598  -13.072 1.00 70.74 28 A 1 
ATOM   194 O OD2 . ASP A 1 28 ? -9.359  -4.143  -12.585 1.00 69.25 28 A 1 
ATOM   195 N N   . GLY A 1 29 ? -11.388 -0.911  -8.310  1.00 83.13 29 A 1 
ATOM   196 C CA  . GLY A 1 29 ? -11.856 -0.610  -6.950  1.00 82.17 29 A 1 
ATOM   197 C C   . GLY A 1 29 ? -11.083 -1.335  -5.845  1.00 82.75 29 A 1 
ATOM   198 O O   . GLY A 1 29 ? -11.471 -1.263  -4.676  1.00 79.68 29 A 1 
ATOM   199 N N   . LYS A 1 30 ? -9.998  -2.021  -6.193  1.00 81.17 30 A 1 
ATOM   200 C CA  . LYS A 1 30 ? -9.098  -2.702  -5.259  1.00 81.02 30 A 1 
ATOM   201 C C   . LYS A 1 30 ? -7.740  -2.014  -5.228  1.00 80.97 30 A 1 
ATOM   202 O O   . LYS A 1 30 ? -7.279  -1.487  -6.237  1.00 79.49 30 A 1 
ATOM   203 C CB  . LYS A 1 30 ? -8.954  -4.182  -5.629  1.00 79.49 30 A 1 
ATOM   204 C CG  . LYS A 1 30 ? -10.301 -4.914  -5.532  1.00 77.02 30 A 1 
ATOM   205 C CD  . LYS A 1 30 ? -10.115 -6.412  -5.756  1.00 75.00 30 A 1 
ATOM   206 C CE  . LYS A 1 30 ? -11.478 -7.104  -5.640  1.00 71.66 30 A 1 
ATOM   207 N NZ  . LYS A 1 30 ? -11.352 -8.566  -5.776  1.00 66.21 30 A 1 
ATOM   208 N N   . ARG A 1 31 ? -7.091  -2.055  -4.066  1.00 80.73 31 A 1 
ATOM   209 C CA  . ARG A 1 31 ? -5.747  -1.518  -3.853  1.00 80.07 31 A 1 
ATOM   210 C C   . ARG A 1 31 ? -4.747  -2.661  -3.877  1.00 80.13 31 A 1 
ATOM   211 O O   . ARG A 1 31 ? -4.893  -3.612  -3.123  1.00 78.80 31 A 1 
ATOM   212 C CB  . ARG A 1 31 ? -5.706  -0.761  -2.530  1.00 78.30 31 A 1 
ATOM   213 C CG  . ARG A 1 31 ? -6.589  0.488   -2.607  1.00 74.95 31 A 1 
ATOM   214 C CD  . ARG A 1 31 ? -6.595  1.218   -1.268  1.00 71.69 31 A 1 
ATOM   215 N NE  . ARG A 1 31 ? -7.361  2.456   -1.401  1.00 67.97 31 A 1 
ATOM   216 C CZ  . ARG A 1 31 ? -7.862  3.197   -0.451  1.00 62.97 31 A 1 
ATOM   217 N NH1 . ARG A 1 31 ? -7.716  2.906   0.817   1.00 60.08 31 A 1 
ATOM   218 N NH2 . ARG A 1 31 ? -8.525  4.264   -0.797  1.00 56.21 31 A 1 
ATOM   219 N N   . ALA A 1 32 ? -3.741  -2.573  -4.723  1.00 80.57 32 A 1 
ATOM   220 C CA  . ALA A 1 32 ? -2.664  -3.546  -4.785  1.00 79.83 32 A 1 
ATOM   221 C C   . ALA A 1 32 ? -1.328  -2.858  -4.513  1.00 79.50 32 A 1 
ATOM   222 O O   . ALA A 1 32 ? -1.120  -1.717  -4.928  1.00 78.03 32 A 1 
ATOM   223 C CB  . ALA A 1 32 ? -2.703  -4.251  -6.145  1.00 78.16 32 A 1 
ATOM   224 N N   . ILE A 1 33 ? -0.420  -3.547  -3.844  1.00 76.97 33 A 1 
ATOM   225 C CA  . ILE A 1 33 ? 0.979   -3.133  -3.750  1.00 75.20 33 A 1 
ATOM   226 C C   . ILE A 1 33 ? 1.841   -4.087  -4.568  1.00 74.14 33 A 1 
ATOM   227 O O   . ILE A 1 33 ? 1.619   -5.299  -4.561  1.00 71.85 33 A 1 
ATOM   228 C CB  . ILE A 1 33 ? 1.472   -2.997  -2.292  1.00 72.96 33 A 1 
ATOM   229 C CG1 . ILE A 1 33 ? 1.420   -4.324  -1.504  1.00 67.82 33 A 1 
ATOM   230 C CG2 . ILE A 1 33 ? 0.681   -1.886  -1.583  1.00 65.36 33 A 1 
ATOM   231 C CD1 . ILE A 1 33 ? 2.253   -4.287  -0.225  1.00 62.87 33 A 1 
ATOM   232 N N   . ASP A 1 34 ? 2.826   -3.544  -5.262  1.00 70.54 34 A 1 
ATOM   233 C CA  . ASP A 1 34 ? 3.827   -4.357  -5.940  1.00 68.03 34 A 1 
ATOM   234 C C   . ASP A 1 34 ? 4.847   -4.877  -4.917  1.00 66.93 34 A 1 
ATOM   235 O O   . ASP A 1 34 ? 5.539   -4.071  -4.281  1.00 64.23 34 A 1 
ATOM   236 C CB  . ASP A 1 34 ? 4.498   -3.546  -7.060  1.00 65.78 34 A 1 
ATOM   237 C CG  . ASP A 1 34 ? 4.081   -4.068  -8.427  1.00 61.58 34 A 1 
ATOM   238 O OD1 . ASP A 1 34 ? 4.540   -5.188  -8.758  1.00 58.93 34 A 1 
ATOM   239 O OD2 . ASP A 1 34 ? 3.313   -3.363  -9.115  1.00 57.71 34 A 1 
ATOM   240 N N   . PRO A 1 35 ? 4.990   -6.192  -4.732  1.00 65.06 35 A 1 
ATOM   241 C CA  . PRO A 1 35 ? 5.958   -6.754  -3.787  1.00 62.17 35 A 1 
ATOM   242 C C   . PRO A 1 35 ? 7.416   -6.484  -4.200  1.00 60.39 35 A 1 
ATOM   243 O O   . PRO A 1 35 ? 8.313   -6.558  -3.367  1.00 56.82 35 A 1 
ATOM   244 C CB  . PRO A 1 35 ? 5.635   -8.256  -3.749  1.00 60.68 35 A 1 
ATOM   245 C CG  . PRO A 1 35 ? 4.989   -8.536  -5.102  1.00 58.99 35 A 1 
ATOM   246 C CD  . PRO A 1 35 ? 4.250   -7.249  -5.416  1.00 61.11 35 A 1 
ATOM   247 N N   . GLY A 1 36 ? 7.661   -6.140  -5.472  1.00 59.69 36 A 1 
ATOM   248 C CA  . GLY A 1 36 ? 8.969   -5.742  -5.997  1.00 57.91 36 A 1 
ATOM   249 C C   . GLY A 1 36 ? 9.192   -4.227  -6.067  1.00 56.48 36 A 1 
ATOM   250 O O   . GLY A 1 36 ? 10.301  -3.794  -6.383  1.00 53.64 36 A 1 
HETATM 251 N N   . UNK A 1 37 ? 8.172   -3.409  -5.771  1.00 54.52 37 A 1 
HETATM 252 C CA  . UNK A 1 37 ? 8.208   -1.945  -5.835  1.00 53.42 37 A 1 
HETATM 253 C C   . UNK A 1 37 ? 8.673   -1.291  -4.538  1.00 52.59 37 A 1 
HETATM 254 O O   . UNK A 1 37 ? 8.373   -0.123  -4.306  1.00 50.76 37 A 1 
HETATM 255 N N   . UNK A 1 38 ? 9.411   -2.006  -3.679  1.00 50.69 38 A 1 
HETATM 256 C CA  . UNK A 1 38 ? 10.057  -1.439  -2.503  1.00 50.64 38 A 1 
HETATM 257 C C   . UNK A 1 38 ? 11.171  -0.493  -2.941  1.00 50.83 38 A 1 
HETATM 258 O O   . UNK A 1 38 ? 12.328  -0.892  -2.990  1.00 49.55 38 A 1 
ATOM   259 N N   . ALA A 1 39 ? 10.830  0.748   -3.291  1.00 48.23 39 A 1 
ATOM   260 C CA  . ALA A 1 39 ? 11.800  1.818   -3.407  1.00 49.26 39 A 1 
ATOM   261 C C   . ALA A 1 39 ? 12.507  1.933   -2.054  1.00 50.19 39 A 1 
ATOM   262 O O   . ALA A 1 39 ? 11.949  2.438   -1.081  1.00 48.54 39 A 1 
ATOM   263 C CB  . ALA A 1 39 ? 11.096  3.115   -3.829  1.00 48.04 39 A 1 
ATOM   264 N N   . VAL A 1 40 ? 13.736  1.421   -2.011  1.00 41.34 40 A 1 
ATOM   265 C CA  . VAL A 1 40 ? 14.690  1.739   -0.958  1.00 42.03 40 A 1 
ATOM   266 C C   . VAL A 1 40 ? 14.823  3.260   -0.934  1.00 43.01 40 A 1 
ATOM   267 O O   . VAL A 1 40 ? 15.443  3.862   -1.800  1.00 40.16 40 A 1 
ATOM   268 C CB  . VAL A 1 40 ? 16.042  1.028   -1.182  1.00 40.55 40 A 1 
ATOM   269 C CG1 . VAL A 1 40 ? 15.917  -0.467  -0.863  1.00 35.43 40 A 1 
ATOM   270 C CG2 . VAL A 1 40 ? 16.610  1.154   -2.605  1.00 35.04 40 A 1 
ATOM   271 N N   . VAL A 1 41 ? 14.159  3.893   0.025   1.00 44.05 41 A 1 
ATOM   272 C CA  . VAL A 1 41 ? 14.469  5.276   0.375   1.00 45.74 41 A 1 
ATOM   273 C C   . VAL A 1 41 ? 15.848  5.244   1.034   1.00 45.59 41 A 1 
ATOM   274 O O   . VAL A 1 41 ? 15.982  4.658   2.110   1.00 43.39 41 A 1 
ATOM   275 C CB  . VAL A 1 41 ? 13.384  5.913   1.286   1.00 45.19 41 A 1 
ATOM   276 C CG1 . VAL A 1 41 ? 12.245  6.471   0.425   1.00 40.03 41 A 1 
ATOM   277 C CG2 . VAL A 1 41 ? 12.768  4.959   2.320   1.00 39.55 41 A 1 
ATOM   278 N N   . PRO A 1 42 ? 16.899  5.774   0.380   1.00 41.08 42 A 1 
ATOM   279 C CA  . PRO A 1 42 ? 18.153  5.977   1.076   1.00 44.58 42 A 1 
ATOM   280 C C   . PRO A 1 42 ? 17.910  7.041   2.144   1.00 45.53 42 A 1 
ATOM   281 O O   . PRO A 1 42 ? 17.440  8.142   1.846   1.00 44.48 42 A 1 
ATOM   282 C CB  . PRO A 1 42 ? 19.159  6.397   0.002   1.00 42.78 42 A 1 
ATOM   283 C CG  . PRO A 1 42 ? 18.296  7.054   -1.069  1.00 40.68 42 A 1 
ATOM   284 C CD  . PRO A 1 42 ? 16.954  6.340   -0.957  1.00 47.25 42 A 1 
ATOM   285 N N   . VAL A 1 43 ? 18.182  6.679   3.383   1.00 41.53 43 A 1 
ATOM   286 C CA  . VAL A 1 43 ? 18.291  7.616   4.508   1.00 43.91 43 A 1 
ATOM   287 C C   . VAL A 1 43 ? 19.635  8.325   4.407   1.00 41.92 43 A 1 
ATOM   288 O O   . VAL A 1 43 ? 20.621  7.644   4.059   1.00 37.96 43 A 1 
ATOM   289 C CB  . VAL A 1 43 ? 18.144  6.923   5.877   1.00 39.75 43 A 1 
ATOM   290 C CG1 . VAL A 1 43 ? 17.387  7.844   6.854   1.00 33.16 43 A 1 
ATOM   291 C CG2 . VAL A 1 43 ? 17.404  5.587   5.848   1.00 35.91 43 A 1 
ATOM   292 O OXT . VAL A 1 43 ? 19.645  9.547   4.688   1.00 37.28 43 A 1 
#
