# 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_spkb14504
#
_entry.id spkb14504
#
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" 
"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 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" 
"C5 H9 N O2"    115.130 PRO y PROLINE       C1C[C@H](NC1)C(=O)O              ? "L-PEPTIDE LINKING" 
"C3 H7 N O3"    105.093 SER y SERINE        C([C@@H](C(=O)O)N)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 LEU 2  
1 n HIS 3  
1 n LEU 4  
1 n LEU 5  
1 n ALA 6  
1 n LEU 7  
1 n PHE 8  
1 n LEU 9  
1 n HIS 10 
1 n CYS 11 
1 n LEU 12 
1 n PRO 13 
1 n LEU 14 
1 n ALA 15 
1 n SER 16 
1 n GLY 17 
#
_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 @ 2025-07-10 20:54:20)"
_ma_model_list.model_id         1
_ma_model_list.model_name       "Top ranked model"
_ma_model_list.model_type       "Ab initio model"
_ma_model_list.ordinal_id       1
#
loop_
_ma_protocol_step.method_type
_ma_protocol_step.ordinal_id
_ma_protocol_step.protocol_id
_ma_protocol_step.step_id
"coevolution MSA" 1 1 1 
"template search" 2 1 2 
modeling          3 1 3 
#
loop_
_ma_qa_metric.id
_ma_qa_metric.mode
_ma_qa_metric.name
_ma_qa_metric.software_group_id
_ma_qa_metric.type
1 global pLDDT 1 pLDDT 
2 local  pLDDT 1 pLDDT 
#
_ma_qa_metric_global.metric_id    1
_ma_qa_metric_global.metric_value 88.61
_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 83.88 1 1  
A LEU 2  2 88.47 1 2  
A HIS 3  2 90.03 1 3  
A LEU 4  2 91.95 1 4  
A LEU 5  2 90.30 1 5  
A ALA 6  2 94.84 1 6  
A LEU 7  2 91.41 1 7  
A PHE 8  2 90.87 1 8  
A LEU 9  2 90.41 1 9  
A HIS 10 2 87.83 1 10 
A CYS 11 2 92.12 1 11 
A LEU 12 2 89.10 1 12 
A PRO 13 2 92.28 1 13 
A LEU 14 2 85.17 1 14 
A ALA 15 2 88.69 1 15 
A SER 16 2 81.92 1 16 
A GLY 17 2 71.89 1 17 
#
_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 LEU . 2  A 2  
A 3  1 n HIS . 3  A 3  
A 4  1 n LEU . 4  A 4  
A 5  1 n LEU . 5  A 5  
A 6  1 n ALA . 6  A 6  
A 7  1 n LEU . 7  A 7  
A 8  1 n PHE . 8  A 8  
A 9  1 n LEU . 9  A 9  
A 10 1 n HIS . 10 A 10 
A 11 1 n CYS . 11 A 11 
A 12 1 n LEU . 12 A 12 
A 13 1 n PRO . 13 A 13 
A 14 1 n LEU . 14 A 14 
A 15 1 n ALA . 15 A 15 
A 16 1 n SER . 16 A 16 
A 17 1 n GLY . 17 A 17 
#
_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  ? -11.635 -3.004 0.019  1.00 88.83 1  A 1 
ATOM 2   C CA  . MET A 1 1  ? -10.894 -1.784 0.383  1.00 91.63 1  A 1 
ATOM 3   C C   . MET A 1 1  ? -9.400  -2.076 0.581  1.00 92.49 1  A 1 
ATOM 4   O O   . MET A 1 1  ? -8.670  -1.253 1.128  1.00 92.18 1  A 1 
ATOM 5   C CB  . MET A 1 1  ? -11.494 -1.197 1.661  1.00 86.74 1  A 1 
ATOM 6   C CG  . MET A 1 1  ? -11.477 0.311  1.664  1.00 78.92 1  A 1 
ATOM 7   S SD  . MET A 1 1  ? -12.684 0.954  2.823  1.00 75.33 1  A 1 
ATOM 8   C CE  . MET A 1 1  ? -11.898 2.484  3.283  1.00 64.88 1  A 1 
ATOM 9   N N   . LEU A 1 2  ? -8.962  -3.234 0.129  1.00 92.03 2  A 1 
ATOM 10  C CA  . LEU A 1 2  ? -7.559  -3.642 0.260  1.00 93.48 2  A 1 
ATOM 11  C C   . LEU A 1 2  ? -6.660  -2.862 -0.696 1.00 95.10 2  A 1 
ATOM 12  O O   . LEU A 1 2  ? -5.496  -2.605 -0.397 1.00 93.99 2  A 1 
ATOM 13  C CB  . LEU A 1 2  ? -7.441  -5.145 -0.007 1.00 91.86 2  A 1 
ATOM 14  C CG  . LEU A 1 2  ? -7.211  -5.968 1.249  1.00 84.05 2  A 1 
ATOM 15  C CD1 . LEU A 1 2  ? -8.510  -6.583 1.744  1.00 79.31 2  A 1 
ATOM 16  C CD2 . LEU A 1 2  ? -6.188  -7.058 0.976  1.00 77.93 2  A 1 
ATOM 17  N N   . HIS A 1 3  ? -7.213  -2.472 -1.834 1.00 94.15 3  A 1 
ATOM 18  C CA  . HIS A 1 3  ? -6.440  -1.737 -2.840 1.00 95.27 3  A 1 
ATOM 19  C C   . HIS A 1 3  ? -6.023  -0.365 -2.307 1.00 96.21 3  A 1 
ATOM 20  O O   . HIS A 1 3  ? -4.955  0.138  -2.635 1.00 95.97 3  A 1 
ATOM 21  C CB  . HIS A 1 3  ? -7.280  -1.587 -4.114 1.00 94.58 3  A 1 
ATOM 22  C CG  . HIS A 1 3  ? -6.494  -1.903 -5.353 1.00 90.71 3  A 1 
ATOM 23  N ND1 . HIS A 1 3  ? -6.271  -1.002 -6.368 1.00 81.30 3  A 1 
ATOM 24  C CD2 . HIS A 1 3  ? -5.882  -3.056 -5.726 1.00 82.34 3  A 1 
ATOM 25  C CE1 . HIS A 1 3  ? -5.554  -1.601 -7.313 1.00 84.52 3  A 1 
ATOM 26  N NE2 . HIS A 1 3  ? -5.299  -2.853 -6.952 1.00 85.25 3  A 1 
ATOM 27  N N   . LEU A 1 4  ? -6.862  0.220  -1.475 1.00 95.42 4  A 1 
ATOM 28  C CA  . LEU A 1 4  ? -6.573  1.530  -0.888 1.00 95.60 4  A 1 
ATOM 29  C C   . LEU A 1 4  ? -5.417  1.434  0.108  1.00 95.89 4  A 1 
ATOM 30  O O   . LEU A 1 4  ? -4.649  2.381  0.266  1.00 95.30 4  A 1 
ATOM 31  C CB  . LEU A 1 4  ? -7.828  2.065  -0.196 1.00 95.01 4  A 1 
ATOM 32  C CG  . LEU A 1 4  ? -8.086  3.535  -0.496 1.00 88.12 4  A 1 
ATOM 33  C CD1 . LEU A 1 4  ? -8.809  3.685  -1.832 1.00 85.09 4  A 1 
ATOM 34  C CD2 . LEU A 1 4  ? -8.914  4.151  0.618  1.00 85.19 4  A 1 
ATOM 35  N N   . LEU A 1 5  ? -5.289  0.297  0.755  1.00 94.33 5  A 1 
ATOM 36  C CA  . LEU A 1 5  ? -4.213  0.061  1.721  1.00 93.59 5  A 1 
ATOM 37  C C   . LEU A 1 5  ? -2.855  0.115  1.030  1.00 94.15 5  A 1 
ATOM 38  O O   . LEU A 1 5  ? -1.886  0.636  1.582  1.00 94.03 5  A 1 
ATOM 39  C CB  . LEU A 1 5  ? -4.412  -1.307 2.377  1.00 92.79 5  A 1 
ATOM 40  C CG  . LEU A 1 5  ? -3.742  -1.418 3.739  1.00 87.15 5  A 1 
ATOM 41  C CD1 . LEU A 1 5  ? -4.694  -0.945 4.834  1.00 83.20 5  A 1 
ATOM 42  C CD2 . LEU A 1 5  ? -3.323  -2.852 4.001  1.00 83.12 5  A 1 
ATOM 43  N N   . ALA A 1 6  ? -2.798  -0.419 -0.178 1.00 95.38 6  A 1 
ATOM 44  C CA  . ALA A 1 6  ? -1.560  -0.421 -0.963 1.00 94.93 6  A 1 
ATOM 45  C C   . ALA A 1 6  ? -1.150  1.009  -1.320 1.00 95.47 6  A 1 
ATOM 46  O O   . ALA A 1 6  ? 0.037   1.326  -1.396 1.00 94.52 6  A 1 
ATOM 47  C CB  . ALA A 1 6  ? -1.762  -1.251 -2.230 1.00 93.91 6  A 1 
ATOM 48  N N   . LEU A 1 7  ? -2.131  1.857  -1.523 1.00 94.39 7  A 1 
ATOM 49  C CA  . LEU A 1 7  ? -1.880  3.260  -1.858 1.00 94.22 7  A 1 
ATOM 50  C C   . LEU A 1 7  ? -1.191  3.970  -0.690 1.00 94.87 7  A 1 
ATOM 51  O O   . LEU A 1 7  ? -0.294  4.789  -0.890 1.00 94.22 7  A 1 
ATOM 52  C CB  . LEU A 1 7  ? -3.209  3.946  -2.194 1.00 93.90 7  A 1 
ATOM 53  C CG  . LEU A 1 7  ? -3.045  5.168  -3.089 1.00 88.42 7  A 1 
ATOM 54  C CD1 . LEU A 1 7  ? -3.146  4.767  -4.558 1.00 85.62 7  A 1 
ATOM 55  C CD2 . LEU A 1 7  ? -4.099  6.206  -2.762 1.00 85.66 7  A 1 
ATOM 56  N N   . PHE A 1 8  ? -1.595  3.637  0.508  1.00 93.89 8  A 1 
ATOM 57  C CA  . PHE A 1 8  ? -1.015  4.228  1.717  1.00 93.73 8  A 1 
ATOM 58  C C   . PHE A 1 8  ? 0.461   3.850  1.850  1.00 94.07 8  A 1 
ATOM 59  O O   . PHE A 1 8  ? 1.300   4.689  2.179  1.00 93.32 8  A 1 
ATOM 60  C CB  . PHE A 1 8  ? -1.805  3.740  2.933  1.00 93.66 8  A 1 
ATOM 61  C CG  . PHE A 1 8  ? -1.262  4.284  4.230  1.00 92.24 8  A 1 
ATOM 62  C CD1 . PHE A 1 8  ? -1.445  5.622  4.568  1.00 88.02 8  A 1 
ATOM 63  C CD2 . PHE A 1 8  ? -0.568  3.452  5.101  1.00 87.82 8  A 1 
ATOM 64  C CE1 . PHE A 1 8  ? -0.940  6.124  5.764  1.00 87.62 8  A 1 
ATOM 65  C CE2 . PHE A 1 8  ? -0.057  3.957  6.299  1.00 86.89 8  A 1 
ATOM 66  C CZ  . PHE A 1 8  ? -0.242  5.291  6.629  1.00 88.32 8  A 1 
ATOM 67  N N   . LEU A 1 9  ? 0.759   2.595  1.566  1.00 94.20 9  A 1 
ATOM 68  C CA  . LEU A 1 9  ? 2.136   2.103  1.635  1.00 93.52 9  A 1 
ATOM 69  C C   . LEU A 1 9  ? 2.975   2.660  0.491  1.00 93.78 9  A 1 
ATOM 70  O O   . LEU A 1 9  ? 4.189   2.818  0.624  1.00 92.79 9  A 1 
ATOM 71  C CB  . LEU A 1 9  ? 2.122   0.570  1.588  1.00 92.85 9  A 1 
ATOM 72  C CG  . LEU A 1 9  ? 1.762   -0.065 2.928  1.00 88.05 9  A 1 
ATOM 73  C CD1 . LEU A 1 9  ? 1.128   -1.429 2.726  1.00 84.12 9  A 1 
ATOM 74  C CD2 . LEU A 1 9  ? 3.012   -0.201 3.791  1.00 83.94 9  A 1 
ATOM 75  N N   . HIS A 1 10 ? 2.332   2.955  -0.617 1.00 92.60 10 A 1 
ATOM 76  C CA  . HIS A 1 10 ? 3.020   3.495  -1.791 1.00 92.59 10 A 1 
ATOM 77  C C   . HIS A 1 10 ? 3.378   4.970  -1.587 1.00 93.93 10 A 1 
ATOM 78  O O   . HIS A 1 10 ? 4.385   5.449  -2.104 1.00 92.49 10 A 1 
ATOM 79  C CB  . HIS A 1 10 ? 2.128   3.330  -3.023 1.00 91.72 10 A 1 
ATOM 80  C CG  . HIS A 1 10 ? 2.913   3.363  -4.301 1.00 88.79 10 A 1 
ATOM 81  N ND1 . HIS A 1 10 ? 3.279   4.522  -4.939 1.00 79.05 10 A 1 
ATOM 82  C CD2 . HIS A 1 10 ? 3.398   2.341  -5.052 1.00 81.21 10 A 1 
ATOM 83  C CE1 . HIS A 1 10 ? 3.961   4.207  -6.035 1.00 82.35 10 A 1 
ATOM 84  N NE2 . HIS A 1 10 ? 4.051   2.888  -6.135 1.00 83.59 10 A 1 
ATOM 85  N N   . CYS A 1 11 ? 2.551   5.678  -0.855 1.00 93.13 11 A 1 
ATOM 86  C CA  . CYS A 1 11 ? 2.771   7.101  -0.602 1.00 93.74 11 A 1 
ATOM 87  C C   . CYS A 1 11 ? 3.841   7.322  0.468  1.00 93.61 11 A 1 
ATOM 88  O O   . CYS A 1 11 ? 4.636   8.253  0.372  1.00 91.16 11 A 1 
ATOM 89  C CB  . CYS A 1 11 ? 1.451   7.751  -0.178 1.00 92.53 11 A 1 
ATOM 90  S SG  . CYS A 1 11 ? 1.394   9.482  -0.688 1.00 88.56 11 A 1 
ATOM 91  N N   . LEU A 1 12 ? 3.854   6.476  1.477  1.00 93.03 12 A 1 
ATOM 92  C CA  . LEU A 1 12 ? 4.817   6.600  2.567  1.00 92.28 12 A 1 
ATOM 93  C C   . LEU A 1 12 ? 5.688   5.352  2.679  1.00 92.46 12 A 1 
ATOM 94  O O   . LEU A 1 12 ? 5.174   4.238  2.665  1.00 90.60 12 A 1 
ATOM 95  C CB  . LEU A 1 12 ? 4.064   6.835  3.877  1.00 90.92 12 A 1 
ATOM 96  C CG  . LEU A 1 12 ? 4.890   7.551  4.928  1.00 88.03 12 A 1 
ATOM 97  C CD1 . LEU A 1 12 ? 4.643   9.053  4.866  1.00 83.53 12 A 1 
ATOM 98  C CD2 . LEU A 1 12 ? 4.547   7.029  6.309  1.00 81.95 12 A 1 
ATOM 99  N N   . PRO A 1 13 ? 6.998   5.521  2.793  1.00 93.99 13 A 1 
ATOM 100 C CA  . PRO A 1 13 ? 7.904   4.379  2.929  1.00 93.69 13 A 1 
ATOM 101 C C   . PRO A 1 13 ? 7.742   3.714  4.295  1.00 93.51 13 A 1 
ATOM 102 O O   . PRO A 1 13 ? 7.717   4.386  5.325  1.00 90.72 13 A 1 
ATOM 103 C CB  . PRO A 1 13 ? 9.297   4.997  2.776  1.00 91.46 13 A 1 
ATOM 104 C CG  . PRO A 1 13 ? 9.132   6.426  3.157  1.00 89.79 13 A 1 
ATOM 105 C CD  . PRO A 1 13 ? 7.713   6.799  2.798  1.00 92.83 13 A 1 
ATOM 106 N N   . LEU A 1 14 ? 7.639   2.394  4.260  1.00 91.06 14 A 1 
ATOM 107 C CA  . LEU A 1 14 ? 7.466   1.624  5.492  1.00 90.24 14 A 1 
ATOM 108 C C   . LEU A 1 14 ? 8.714   1.698  6.365  1.00 90.58 14 A 1 
ATOM 109 O O   . LEU A 1 14 ? 8.628   1.848  7.585  1.00 87.60 14 A 1 
ATOM 110 C CB  . LEU A 1 14 ? 7.143   0.171  5.142  1.00 87.66 14 A 1 
ATOM 111 C CG  . LEU A 1 14 ? 6.467   -0.588 6.271  1.00 81.99 14 A 1 
ATOM 112 C CD1 . LEU A 1 14 ? 4.972   -0.334 6.266  1.00 77.32 14 A 1 
ATOM 113 C CD2 . LEU A 1 14 ? 6.750   -2.076 6.142  1.00 74.89 14 A 1 
ATOM 114 N N   . ALA A 1 15 ? 9.872   1.616  5.727  1.00 90.64 15 A 1 
ATOM 115 C CA  . ALA A 1 15 ? 11.147  1.669  6.439  1.00 89.74 15 A 1 
ATOM 116 C C   . ALA A 1 15 ? 11.623  3.112  6.575  1.00 89.58 15 A 1 
ATOM 117 O O   . ALA A 1 15 ? 12.105  3.705  5.610  1.00 86.25 15 A 1 
ATOM 118 C CB  . ALA A 1 15 ? 12.178  0.825  5.696  1.00 87.25 15 A 1 
ATOM 119 N N   . SER A 1 16 ? 11.471  3.671  7.757  1.00 86.90 16 A 1 
ATOM 120 C CA  . SER A 1 16 ? 11.881  5.049  8.034  1.00 86.40 16 A 1 
ATOM 121 C C   . SER A 1 16 ? 12.893  5.070  9.182  1.00 84.89 16 A 1 
ATOM 122 O O   . SER A 1 16 ? 12.695  5.734  10.199 1.00 78.50 16 A 1 
ATOM 123 C CB  . SER A 1 16 ? 10.649  5.900  8.372  1.00 82.58 16 A 1 
ATOM 124 O OG  . SER A 1 16 ? 10.954  7.278  8.298  1.00 72.27 16 A 1 
ATOM 125 N N   . GLY A 1 17 ? 13.985  4.349  8.989  1.00 81.41 17 A 1 
ATOM 126 C CA  . GLY A 1 17 ? 15.015  4.268  10.020 1.00 76.04 17 A 1 
ATOM 127 C C   . GLY A 1 17 ? 16.247  3.562  9.530  1.00 70.86 17 A 1 
ATOM 128 O O   . GLY A 1 17 ? 16.630  3.744  8.362  1.00 63.19 17 A 1 
ATOM 129 O OXT . GLY A 1 17 ? 16.836  2.801  10.311 1.00 67.93 17 A 1 
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