# 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_spkb34081
#
_entry.id spkb34081
#
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" 
"C3 H7 N O2 S"  121.158 CYS y CYSTEINE      C([C@@H](C(=O)O)N)S              ? "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" 
"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" 
"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 ARG 2  
1 n ILE 3  
1 n LEU 4  
1 n PHE 5  
1 n LEU 6  
1 n ILE 7  
1 n ALA 8  
1 n PHE 9  
1 n MET 10 
1 n TYR 11 
1 n GLY 12 
1 n CYS 13 
1 n VAL 14 
1 n HIS 15 
1 n SER 16 
#
_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 @ 2025-07-13 04:48:05)"
_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 89.14
_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 83.70 1 1  
A ARG 2  2 82.00 1 2  
A ILE 3  2 90.12 1 3  
A LEU 4  2 89.96 1 4  
A PHE 5  2 88.57 1 5  
A LEU 6  2 91.90 1 6  
A ILE 7  2 93.76 1 7  
A ALA 8  2 95.80 1 8  
A PHE 9  2 93.02 1 9  
A MET 10 2 90.71 1 10 
A TYR 11 2 93.08 1 11 
A GLY 12 2 95.76 1 12 
A CYS 13 2 93.84 1 13 
A VAL 14 2 92.08 1 14 
A HIS 15 2 81.57 1 15 
A SER 16 2 77.62 1 16 
#
_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 ARG . 2  A 2  
A 3  1 n ILE . 3  A 3  
A 4  1 n LEU . 4  A 4  
A 5  1 n PHE . 5  A 5  
A 6  1 n LEU . 6  A 6  
A 7  1 n ILE . 7  A 7  
A 8  1 n ALA . 8  A 8  
A 9  1 n PHE . 9  A 9  
A 10 1 n MET . 10 A 10 
A 11 1 n TYR . 11 A 11 
A 12 1 n GLY . 12 A 12 
A 13 1 n CYS . 13 A 13 
A 14 1 n VAL . 14 A 14 
A 15 1 n HIS . 15 A 15 
A 16 1 n SER . 16 A 16 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)"
#
_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  ? -7.524  -3.351 10.596 1.00 89.25 1  A 1 
ATOM 2   C CA  . MET A 1 1  ? -6.707  -2.265 10.010 1.00 91.37 1  A 1 
ATOM 3   C C   . MET A 1 1  ? -6.475  -2.496 8.517  1.00 92.56 1  A 1 
ATOM 4   O O   . MET A 1 1  ? -5.740  -3.394 8.128  1.00 88.97 1  A 1 
ATOM 5   C CB  . MET A 1 1  ? -5.352  -2.195 10.711 1.00 84.80 1  A 1 
ATOM 6   C CG  . MET A 1 1  ? -5.482  -1.723 12.150 1.00 78.10 1  A 1 
ATOM 7   S SD  . MET A 1 1  ? -3.887  -1.585 12.969 1.00 77.15 1  A 1 
ATOM 8   C CE  . MET A 1 1  ? -4.388  -0.861 14.524 1.00 67.38 1  A 1 
ATOM 9   N N   . ARG A 1 2  ? -7.103  -1.674 7.701  1.00 91.34 2  A 1 
ATOM 10  C CA  . ARG A 1 2  ? -6.969  -1.795 6.244  1.00 92.79 2  A 1 
ATOM 11  C C   . ARG A 1 2  ? -6.227  -0.594 5.657  1.00 94.31 2  A 1 
ATOM 12  O O   . ARG A 1 2  ? -5.445  -0.730 4.722  1.00 92.11 2  A 1 
ATOM 13  C CB  . ARG A 1 2  ? -8.362  -1.890 5.616  1.00 90.14 2  A 1 
ATOM 14  C CG  . ARG A 1 2  ? -9.134  -3.111 6.104  1.00 82.50 2  A 1 
ATOM 15  C CD  . ARG A 1 2  ? -10.537 -3.108 5.531  1.00 81.90 2  A 1 
ATOM 16  N NE  . ARG A 1 2  ? -11.309 -4.260 5.998  1.00 75.01 2  A 1 
ATOM 17  C CZ  . ARG A 1 2  ? -12.606 -4.411 5.773  1.00 71.17 2  A 1 
ATOM 18  N NH1 . ARG A 1 2  ? -13.277 -3.490 5.103  1.00 64.93 2  A 1 
ATOM 19  N NH2 . ARG A 1 2  ? -13.233 -5.477 6.219  1.00 65.79 2  A 1 
ATOM 20  N N   . ILE A 1 3  ? -6.482  0.592  6.204  1.00 91.97 3  A 1 
ATOM 21  C CA  . ILE A 1 3  ? -5.840  1.812  5.711  1.00 93.16 3  A 1 
ATOM 22  C C   . ILE A 1 3  ? -4.327  1.739  5.881  1.00 94.68 3  A 1 
ATOM 23  O O   . ILE A 1 3  ? -3.571  2.209  5.030  1.00 93.13 3  A 1 
ATOM 24  C CB  . ILE A 1 3  ? -6.388  3.044  6.451  1.00 92.29 3  A 1 
ATOM 25  C CG1 . ILE A 1 3  ? -7.918  3.067  6.371  1.00 87.91 3  A 1 
ATOM 26  C CG2 . ILE A 1 3  ? -5.807  4.316  5.837  1.00 86.69 3  A 1 
ATOM 27  C CD1 . ILE A 1 3  ? -8.424  3.052  4.932  1.00 81.11 3  A 1 
ATOM 28  N N   . LEU A 1 4  ? -3.892  1.159  6.978  1.00 93.97 4  A 1 
ATOM 29  C CA  . LEU A 1 4  ? -2.457  1.036  7.255  1.00 94.50 4  A 1 
ATOM 30  C C   . LEU A 1 4  ? -1.751  0.315  6.106  1.00 95.45 4  A 1 
ATOM 31  O O   . LEU A 1 4  ? -0.644  0.671  5.707  1.00 94.79 4  A 1 
ATOM 32  C CB  . LEU A 1 4  ? -2.244  0.270  8.569  1.00 93.94 4  A 1 
ATOM 33  C CG  . LEU A 1 4  ? -0.898  0.558  9.232  1.00 84.90 4  A 1 
ATOM 34  C CD1 . LEU A 1 4  ? 0.259   0.131  8.344  1.00 81.11 4  A 1 
ATOM 35  C CD2 . LEU A 1 4  ? -0.790  2.045  9.555  1.00 81.01 4  A 1 
ATOM 36  N N   . PHE A 1 5  ? -2.404  -0.694 5.562  1.00 94.38 5  A 1 
ATOM 37  C CA  . PHE A 1 5  ? -1.836  -1.465 4.454  1.00 94.35 5  A 1 
ATOM 38  C C   . PHE A 1 5  ? -1.679  -0.588 3.212  1.00 95.31 5  A 1 
ATOM 39  O O   . PHE A 1 5  ? -0.703  -0.701 2.472  1.00 94.22 5  A 1 
ATOM 40  C CB  . PHE A 1 5  ? -2.754  -2.651 4.151  1.00 93.84 5  A 1 
ATOM 41  C CG  . PHE A 1 5  ? -2.121  -3.635 3.201  1.00 88.93 5  A 1 
ATOM 42  C CD1 . PHE A 1 5  ? -0.748  -3.696 3.043  1.00 84.64 5  A 1 
ATOM 43  C CD2 . PHE A 1 5  ? -2.916  -4.517 2.482  1.00 84.00 5  A 1 
ATOM 44  C CE1 . PHE A 1 5  ? -0.173  -4.611 2.171  1.00 82.45 5  A 1 
ATOM 45  C CE2 . PHE A 1 5  ? -2.348  -5.437 1.615  1.00 81.36 5  A 1 
ATOM 46  C CZ  . PHE A 1 5  ? -0.973  -5.479 1.456  1.00 80.78 5  A 1 
ATOM 47  N N   . LEU A 1 6  ? -2.638  0.292  2.981  1.00 95.21 6  A 1 
ATOM 48  C CA  . LEU A 1 6  ? -2.595  1.185  1.821  1.00 95.34 6  A 1 
ATOM 49  C C   . LEU A 1 6  ? -1.576  2.303  2.028  1.00 96.28 6  A 1 
ATOM 50  O O   . LEU A 1 6  ? -0.892  2.709  1.088  1.00 96.19 6  A 1 
ATOM 51  C CB  . LEU A 1 6  ? -3.983  1.794  1.587  1.00 95.09 6  A 1 
ATOM 52  C CG  . LEU A 1 6  ? -5.081  0.758  1.352  1.00 87.81 6  A 1 
ATOM 53  C CD1 . LEU A 1 6  ? -6.426  1.451  1.176  1.00 84.24 6  A 1 
ATOM 54  C CD2 . LEU A 1 6  ? -4.764  -0.087 0.124  1.00 85.05 6  A 1 
ATOM 55  N N   . ILE A 1 7  ? -1.486  2.800  3.243  1.00 95.78 7  A 1 
ATOM 56  C CA  . ILE A 1 7  ? -0.548  3.881  3.562  1.00 95.67 7  A 1 
ATOM 57  C C   . ILE A 1 7  ? 0.889   3.432  3.294  1.00 96.05 7  A 1 
ATOM 58  O O   . ILE A 1 7  ? 1.664   4.133  2.643  1.00 95.77 7  A 1 
ATOM 59  C CB  . ILE A 1 7  ? -0.695  4.306  5.033  1.00 95.52 7  A 1 
ATOM 60  C CG1 . ILE A 1 7  ? -2.089  4.891  5.277  1.00 92.67 7  A 1 
ATOM 61  C CG2 . ILE A 1 7  ? 0.374   5.342  5.384  1.00 91.99 7  A 1 
ATOM 62  C CD1 . ILE A 1 7  ? -2.362  5.159  6.745  1.00 86.65 7  A 1 
ATOM 63  N N   . ALA A 1 8  ? 1.238   2.272  3.795  1.00 96.08 8  A 1 
ATOM 64  C CA  . ALA A 1 8  ? 2.592   1.747  3.602  1.00 95.89 8  A 1 
ATOM 65  C C   . ALA A 1 8  ? 2.857   1.449  2.128  1.00 96.22 8  A 1 
ATOM 66  O O   . ALA A 1 8  ? 3.938   1.718  1.611  1.00 95.53 8  A 1 
ATOM 67  C CB  . ALA A 1 8  ? 2.770   0.478  4.429  1.00 95.26 8  A 1 
ATOM 68  N N   . PHE A 1 9  ? 1.863   0.891  1.461  1.00 95.67 9  A 1 
ATOM 69  C CA  . PHE A 1 9  ? 1.990   0.559  0.040  1.00 95.51 9  A 1 
ATOM 70  C C   . PHE A 1 9  ? 2.168   1.821  -0.798 1.00 96.00 9  A 1 
ATOM 71  O O   . PHE A 1 9  ? 2.953   1.843  -1.744 1.00 95.15 9  A 1 
ATOM 72  C CB  . PHE A 1 9  ? 0.740   -0.193 -0.419 1.00 95.01 9  A 1 
ATOM 73  C CG  . PHE A 1 9  ? 0.799   -0.540 -1.883 1.00 93.99 9  A 1 
ATOM 74  C CD1 . PHE A 1 9  ? 1.633   -1.548 -2.335 1.00 90.56 9  A 1 
ATOM 75  C CD2 . PHE A 1 9  ? 0.022   0.155  -2.801 1.00 90.96 9  A 1 
ATOM 76  C CE1 . PHE A 1 9  ? 1.695   -1.862 -3.685 1.00 90.02 9  A 1 
ATOM 77  C CE2 . PHE A 1 9  ? 0.083   -0.154 -4.159 1.00 90.04 9  A 1 
ATOM 78  C CZ  . PHE A 1 9  ? 0.920   -1.164 -4.598 1.00 90.35 9  A 1 
ATOM 79  N N   . MET A 1 10 ? 1.430   2.872  -0.451 1.00 95.50 10 A 1 
ATOM 80  C CA  . MET A 1 10 ? 1.501   4.136  -1.190 1.00 95.71 10 A 1 
ATOM 81  C C   . MET A 1 10 ? 2.908   4.733  -1.117 1.00 96.21 10 A 1 
ATOM 82  O O   . MET A 1 10 ? 3.451   5.176  -2.124 1.00 95.00 10 A 1 
ATOM 83  C CB  . MET A 1 10 ? 0.486   5.131  -0.625 1.00 95.04 10 A 1 
ATOM 84  C CG  . MET A 1 10 ? 0.309   6.334  -1.519 1.00 91.25 10 A 1 
ATOM 85  S SD  . MET A 1 10 ? -0.926  7.484  -0.905 1.00 83.35 10 A 1 
ATOM 86  C CE  . MET A 1 10 ? -2.408  6.500  -1.074 1.00 73.59 10 A 1 
ATOM 87  N N   . TYR A 1 11 ? 3.482   4.740  0.074  1.00 96.79 11 A 1 
ATOM 88  C CA  . TYR A 1 11 ? 4.827   5.291  0.255  1.00 96.65 11 A 1 
ATOM 89  C C   . TYR A 1 11 ? 5.854   4.502  -0.551 1.00 96.81 11 A 1 
ATOM 90  O O   . TYR A 1 11 ? 6.706   5.076  -1.225 1.00 95.92 11 A 1 
ATOM 91  C CB  . TYR A 1 11 ? 5.203   5.253  1.736  1.00 96.02 11 A 1 
ATOM 92  C CG  . TYR A 1 11 ? 4.676   6.461  2.482  1.00 93.61 11 A 1 
ATOM 93  C CD1 . TYR A 1 11 ? 5.223   7.721  2.262  1.00 90.57 11 A 1 
ATOM 94  C CD2 . TYR A 1 11 ? 3.641   6.336  3.400  1.00 90.71 11 A 1 
ATOM 95  C CE1 . TYR A 1 11 ? 4.739   8.832  2.943  1.00 89.94 11 A 1 
ATOM 96  C CE2 . TYR A 1 11 ? 3.152   7.446  4.081  1.00 90.16 11 A 1 
ATOM 97  C CZ  . TYR A 1 11 ? 3.703   8.689  3.851  1.00 90.86 11 A 1 
ATOM 98  O OH  . TYR A 1 11 ? 3.227   9.785  4.521  1.00 88.90 11 A 1 
ATOM 99  N N   . GLY A 1 12 ? 5.772   3.207  -0.493 1.00 96.05 12 A 1 
ATOM 100 C CA  . GLY A 1 12 ? 6.711   2.361  -1.229 1.00 95.83 12 A 1 
ATOM 101 C C   . GLY A 1 12 ? 6.536   2.472  -2.729 1.00 96.37 12 A 1 
ATOM 102 O O   . GLY A 1 12 ? 7.508   2.461  -3.479 1.00 94.80 12 A 1 
ATOM 103 N N   . CYS A 1 13 ? 5.292   2.594  -3.182 1.00 96.08 13 A 1 
ATOM 104 C CA  . CYS A 1 13 ? 4.987   2.698  -4.608 1.00 96.11 13 A 1 
ATOM 105 C C   . CYS A 1 13 ? 5.488   4.014  -5.200 1.00 96.48 13 A 1 
ATOM 106 O O   . CYS A 1 13 ? 6.245   4.016  -6.165 1.00 94.66 13 A 1 
ATOM 107 C CB  . CYS A 1 13 ? 3.475   2.589  -4.823 1.00 94.17 13 A 1 
ATOM 108 S SG  . CYS A 1 13 ? 3.062   2.512  -6.575 1.00 85.56 13 A 1 
ATOM 109 N N   . VAL A 1 14 ? 5.060   5.137  -4.634 1.00 94.89 14 A 1 
ATOM 110 C CA  . VAL A 1 14 ? 5.459   6.456  -5.143 1.00 95.09 14 A 1 
ATOM 111 C C   . VAL A 1 14 ? 6.908   6.770  -4.807 1.00 95.01 14 A 1 
ATOM 112 O O   . VAL A 1 14 ? 7.592   7.448  -5.567 1.00 92.37 14 A 1 
ATOM 113 C CB  . VAL A 1 14 ? 4.561   7.557  -4.553 1.00 93.53 14 A 1 
ATOM 114 C CG1 . VAL A 1 14 ? 3.112   7.283  -4.901 1.00 86.07 14 A 1 
ATOM 115 C CG2 . VAL A 1 14 ? 4.739   7.633  -3.048 1.00 87.60 14 A 1 
ATOM 116 N N   . HIS A 1 15 ? 7.376   6.288  -3.667 1.00 92.58 15 A 1 
ATOM 117 C CA  . HIS A 1 15 ? 8.758   6.547  -3.246 1.00 90.22 15 A 1 
ATOM 118 C C   . HIS A 1 15 ? 9.741   5.979  -4.260 1.00 89.77 15 A 1 
ATOM 119 O O   . HIS A 1 15 ? 10.725  6.624  -4.613 1.00 85.07 15 A 1 
ATOM 120 C CB  . HIS A 1 15 ? 9.017   5.924  -1.873 1.00 87.41 15 A 1 
ATOM 121 C CG  . HIS A 1 15 ? 10.343  6.340  -1.315 1.00 81.67 15 A 1 
ATOM 122 N ND1 . HIS A 1 15 ? 11.504  5.689  -1.595 1.00 72.76 15 A 1 
ATOM 123 C CD2 . HIS A 1 15 ? 10.671  7.363  -0.492 1.00 71.54 15 A 1 
ATOM 124 C CE1 . HIS A 1 15 ? 12.503  6.305  -0.958 1.00 71.37 15 A 1 
ATOM 125 N NE2 . HIS A 1 15 ? 12.028  7.321  -0.280 1.00 73.35 15 A 1 
ATOM 126 N N   . SER A 1 16 ? 9.460   4.787  -4.745 1.00 87.59 16 A 1 
ATOM 127 C CA  . SER A 1 16 ? 10.327  4.113  -5.718 1.00 84.41 16 A 1 
ATOM 128 C C   . SER A 1 16 ? 11.802  4.363  -5.405 1.00 79.42 16 A 1 
ATOM 129 O O   . SER A 1 16 ? 12.547  4.842  -6.266 1.00 71.35 16 A 1 
ATOM 130 C CB  . SER A 1 16 ? 10.021  4.617  -7.124 1.00 77.89 16 A 1 
ATOM 131 O OG  . SER A 1 16 ? 10.243  5.999  -7.223 1.00 70.98 16 A 1 
ATOM 132 O OXT . SER A 1 16 ? 12.199  4.074  -4.239 1.00 71.70 16 A 1 
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