# 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_388
#
_entry.id 388
#
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" 
"C5 H9 N O4"    147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" 
"C6 H15 N2 O2"  147.195 LYS y LYSINE          C(CC[NH3+])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" 
"C4 H9 N O3"    119.119 THR y THREONINE       C[C@H]([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 GLU 2  
1 n LYS 3  
1 n VAL 4  
1 n LEU 5  
1 n ALA 6  
1 n LEU 7  
1 n LEU 8  
1 n LEU 9  
1 n VAL 10 
1 n THR 11 
1 n LEU 12 
1 n THR 13 
1 n VAL 14 
1 n ALA 15 
1 n TYR 16 
1 n ALA 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 @ 2025-05-29 12:32:45)"
_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 94.59
_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 88.66 1 1  
A GLU 2  2 89.46 1 2  
A LYS 3  2 91.63 1 3  
A VAL 4  2 96.69 1 4  
A LEU 5  2 95.38 1 5  
A ALA 6  2 97.88 1 6  
A LEU 7  2 95.84 1 7  
A LEU 8  2 96.49 1 8  
A LEU 9  2 95.71 1 9  
A VAL 10 2 97.11 1 10 
A THR 11 2 96.45 1 11 
A LEU 12 2 96.33 1 12 
A THR 13 2 96.07 1 13 
A VAL 14 2 97.10 1 14 
A ALA 15 2 97.72 1 15 
A TYR 16 2 92.67 1 16 
A ALA 17 2 91.79 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 GLU . 2  A 2  
A 3  1 n LYS . 3  A 3  
A 4  1 n VAL . 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 LEU . 8  A 8  
A 9  1 n LEU . 9  A 9  
A 10 1 n VAL . 10 A 10 
A 11 1 n THR . 11 A 11 
A 12 1 n LEU . 12 A 12 
A 13 1 n THR . 13 A 13 
A 14 1 n VAL . 14 A 14 
A 15 1 n ALA . 15 A 15 
A 16 1 n TYR . 16 A 16 
A 17 1 n ALA . 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  ? -5.833 6.875  9.315   1.00 92.70 1  A 1 
ATOM 2   C CA  . MET A 1 1  ? -5.946 6.091  8.077   1.00 94.84 1  A 1 
ATOM 3   C C   . MET A 1 1  ? -4.696 5.245  7.856   1.00 94.77 1  A 1 
ATOM 4   O O   . MET A 1 1  ? -4.029 5.343  6.826   1.00 94.14 1  A 1 
ATOM 5   C CB  . MET A 1 1  ? -6.154 7.016  6.883   1.00 92.14 1  A 1 
ATOM 6   C CG  . MET A 1 1  ? -5.072 8.077  6.745   1.00 86.28 1  A 1 
ATOM 7   S SD  . MET A 1 1  ? -5.427 9.203  5.382   1.00 81.70 1  A 1 
ATOM 8   C CE  . MET A 1 1  ? -3.979 10.235 5.450   1.00 72.68 1  A 1 
ATOM 9   N N   . GLU A 1 2  ? -4.385 4.427  8.846   1.00 93.69 2  A 1 
ATOM 10  C CA  . GLU A 1 2  ? -3.198 3.575  8.786   1.00 95.99 2  A 1 
ATOM 11  C C   . GLU A 1 2  ? -3.424 2.379  7.869   1.00 96.64 2  A 1 
ATOM 12  O O   . GLU A 1 2  ? -2.541 1.978  7.110   1.00 95.39 2  A 1 
ATOM 13  C CB  . GLU A 1 2  ? -2.849 3.087  10.192  1.00 94.39 2  A 1 
ATOM 14  C CG  . GLU A 1 2  ? -2.446 4.236  11.110  1.00 87.86 2  A 1 
ATOM 15  C CD  . GLU A 1 2  ? -2.213 3.751  12.518  1.00 84.54 2  A 1 
ATOM 16  O OE1 . GLU A 1 2  ? -2.828 2.742  12.895  1.00 76.66 2  A 1 
ATOM 17  O OE2 . GLU A 1 2  ? -1.433 4.379  13.242  1.00 80.02 2  A 1 
ATOM 18  N N   . LYS A 1 3  ? -4.630 1.805  7.939   1.00 95.55 3  A 1 
ATOM 19  C CA  . LYS A 1 3  ? -4.961 0.648  7.111   1.00 96.68 3  A 1 
ATOM 20  C C   . LYS A 1 3  ? -4.942 1.020  5.634   1.00 96.96 3  A 1 
ATOM 21  O O   . LYS A 1 3  ? -4.551 0.216  4.788   1.00 96.45 3  A 1 
ATOM 22  C CB  . LYS A 1 3  ? -6.338 0.099  7.491   1.00 96.04 3  A 1 
ATOM 23  C CG  . LYS A 1 3  ? -6.346 -0.538 8.870   1.00 91.69 3  A 1 
ATOM 24  C CD  . LYS A 1 3  ? -7.701 -1.151 9.175   1.00 88.32 3  A 1 
ATOM 25  C CE  . LYS A 1 3  ? -7.702 -1.833 10.534  1.00 83.98 3  A 1 
ATOM 26  N NZ  . LYS A 1 3  ? -9.027 -2.434 10.831  1.00 78.98 3  A 1 
ATOM 27  N N   . VAL A 1 4  ? -5.358 2.227  5.332   1.00 97.27 4  A 1 
ATOM 28  C CA  . VAL A 1 4  ? -5.374 2.706  3.953   1.00 97.70 4  A 1 
ATOM 29  C C   . VAL A 1 4  ? -3.966 2.702  3.375   1.00 98.03 4  A 1 
ATOM 30  O O   . VAL A 1 4  ? -3.739 2.251  2.247   1.00 97.72 4  A 1 
ATOM 31  C CB  . VAL A 1 4  ? -5.965 4.121  3.871   1.00 97.27 4  A 1 
ATOM 32  C CG1 . VAL A 1 4  ? -5.921 4.620  2.437   1.00 94.52 4  A 1 
ATOM 33  C CG2 . VAL A 1 4  ? -7.398 4.117  4.386   1.00 94.31 4  A 1 
ATOM 34  N N   . LEU A 1 5  ? -3.028 3.210  4.152   1.00 97.22 5  A 1 
ATOM 35  C CA  . LEU A 1 5  ? -1.638 3.261  3.716   1.00 97.33 5  A 1 
ATOM 36  C C   . LEU A 1 5  ? -1.086 1.857  3.514   1.00 97.53 5  A 1 
ATOM 37  O O   . LEU A 1 5  ? -0.387 1.584  2.536   1.00 97.49 5  A 1 
ATOM 38  C CB  . LEU A 1 5  ? -0.797 3.998  4.755   1.00 97.06 5  A 1 
ATOM 39  C CG  . LEU A 1 5  ? 0.665  4.147  4.358   1.00 93.36 5  A 1 
ATOM 40  C CD1 . LEU A 1 5  ? 0.789  4.980  3.093   1.00 91.43 5  A 1 
ATOM 41  C CD2 . LEU A 1 5  ? 1.452  4.793  5.489   1.00 91.63 5  A 1 
ATOM 42  N N   . ALA A 1 6  ? -1.397 0.969  4.447   1.00 97.97 6  A 1 
ATOM 43  C CA  . ALA A 1 6  ? -0.934 -0.413 4.369   1.00 97.98 6  A 1 
ATOM 44  C C   . ALA A 1 6  ? -1.488 -1.096 3.128   1.00 98.12 6  A 1 
ATOM 45  O O   . ALA A 1 6  ? -0.766 -1.797 2.417   1.00 97.72 6  A 1 
ATOM 46  C CB  . ALA A 1 6  ? -1.371 -1.168 5.615   1.00 97.61 6  A 1 
ATOM 47  N N   . LEU A 1 7  ? -2.763 -0.887 2.874   1.00 97.93 7  A 1 
ATOM 48  C CA  . LEU A 1 7  ? -3.414 -1.485 1.712   1.00 97.89 7  A 1 
ATOM 49  C C   . LEU A 1 7  ? -2.775 -0.978 0.425   1.00 98.11 7  A 1 
ATOM 50  O O   . LEU A 1 7  ? -2.531 -1.748 -0.508  1.00 97.77 7  A 1 
ATOM 51  C CB  . LEU A 1 7  ? -4.906 -1.151 1.719   1.00 97.61 7  A 1 
ATOM 52  C CG  . LEU A 1 7  ? -5.687 -1.804 0.584   1.00 93.32 7  A 1 
ATOM 53  C CD1 . LEU A 1 7  ? -5.656 -3.318 0.717   1.00 92.04 7  A 1 
ATOM 54  C CD2 . LEU A 1 7  ? -7.127 -1.311 0.588   1.00 92.07 7  A 1 
ATOM 55  N N   . LEU A 1 8  ? -2.511 0.305  0.387   1.00 98.01 8  A 1 
ATOM 56  C CA  . LEU A 1 8  ? -1.888 0.913  -0.785  1.00 98.04 8  A 1 
ATOM 57  C C   . LEU A 1 8  ? -0.506 0.321  -1.020  1.00 98.26 8  A 1 
ATOM 58  O O   . LEU A 1 8  ? -0.135 0.006  -2.151  1.00 98.09 8  A 1 
ATOM 59  C CB  . LEU A 1 8  ? -1.776 2.423  -0.585  1.00 97.97 8  A 1 
ATOM 60  C CG  . LEU A 1 8  ? -1.200 3.157  -1.795  1.00 95.00 8  A 1 
ATOM 61  C CD1 . LEU A 1 8  ? -2.136 3.033  -2.986  1.00 93.07 8  A 1 
ATOM 62  C CD2 . LEU A 1 8  ? -0.974 4.624  -1.462  1.00 93.47 8  A 1 
ATOM 63  N N   . LEU A 1 9  ? 0.252  0.172  0.053   1.00 97.84 9  A 1 
ATOM 64  C CA  . LEU A 1 9  ? 1.596  -0.389 -0.032  1.00 97.75 9  A 1 
ATOM 65  C C   . LEU A 1 9  ? 1.556  -1.811 -0.570  1.00 97.99 9  A 1 
ATOM 66  O O   . LEU A 1 9  ? 2.353  -2.181 -1.435  1.00 97.77 9  A 1 
ATOM 67  C CB  . LEU A 1 9  ? 2.249  -0.382 1.349   1.00 97.40 9  A 1 
ATOM 68  C CG  . LEU A 1 9  ? 3.685  -0.901 1.350   1.00 93.51 9  A 1 
ATOM 69  C CD1 . LEU A 1 9  ? 4.579  0.008  0.519   1.00 91.69 9  A 1 
ATOM 70  C CD2 . LEU A 1 9  ? 4.211  -0.984 2.778   1.00 91.71 9  A 1 
ATOM 71  N N   . VAL A 1 10 ? 0.633  -2.611 -0.049  1.00 97.93 10 A 1 
ATOM 72  C CA  . VAL A 1 10 ? 0.487  -3.996 -0.491  1.00 97.86 10 A 1 
ATOM 73  C C   . VAL A 1 10 ? 0.123  -4.041 -1.967  1.00 98.12 10 A 1 
ATOM 74  O O   . VAL A 1 10 ? 0.677  -4.835 -2.734  1.00 97.60 10 A 1 
ATOM 75  C CB  . VAL A 1 10 ? -0.588 -4.723 0.333   1.00 97.29 10 A 1 
ATOM 76  C CG1 . VAL A 1 10 ? -0.840 -6.116 -0.228  1.00 95.43 10 A 1 
ATOM 77  C CG2 . VAL A 1 10 ? -0.154 -4.818 1.790   1.00 95.56 10 A 1 
ATOM 78  N N   . THR A 1 11 ? -0.803 -3.194 -2.354  1.00 97.81 11 A 1 
ATOM 79  C CA  . THR A 1 11 ? -1.247 -3.144 -3.744  1.00 97.77 11 A 1 
ATOM 80  C C   . THR A 1 11 ? -0.077 -2.824 -4.667  1.00 97.92 11 A 1 
ATOM 81  O O   . THR A 1 11 ? 0.106  -3.469 -5.702  1.00 97.19 11 A 1 
ATOM 82  C CB  . THR A 1 11 ? -2.336 -2.080 -3.927  1.00 97.25 11 A 1 
ATOM 83  O OG1 . THR A 1 11 ? -3.439 -2.369 -3.071  1.00 93.92 11 A 1 
ATOM 84  C CG2 . THR A 1 11 ? -2.817 -2.057 -5.374  1.00 93.27 11 A 1 
ATOM 85  N N   . LEU A 1 12 ? 0.713  -1.835 -4.283  1.00 98.04 12 A 1 
ATOM 86  C CA  . LEU A 1 12 ? 1.865  -1.437 -5.082  1.00 98.02 12 A 1 
ATOM 87  C C   . LEU A 1 12 ? 2.874  -2.572 -5.159  1.00 98.11 12 A 1 
ATOM 88  O O   . LEU A 1 12 ? 3.450  -2.836 -6.215  1.00 97.52 12 A 1 
ATOM 89  C CB  . LEU A 1 12 ? 2.519  -0.200 -4.466  1.00 97.74 12 A 1 
ATOM 90  C CG  . LEU A 1 12 ? 1.674  1.067  -4.581  1.00 95.53 12 A 1 
ATOM 91  C CD1 . LEU A 1 12 ? 2.303  2.194  -3.776  1.00 93.06 12 A 1 
ATOM 92  C CD2 . LEU A 1 12 ? 1.534  1.487  -6.037  1.00 92.59 12 A 1 
ATOM 93  N N   . THR A 1 13 ? 3.093  -3.234 -4.038  1.00 97.79 13 A 1 
ATOM 94  C CA  . THR A 1 13 ? 4.035  -4.348 -3.980  1.00 97.71 13 A 1 
ATOM 95  C C   . THR A 1 13 ? 3.623  -5.445 -4.957  1.00 97.84 13 A 1 
ATOM 96  O O   . THR A 1 13 ? 4.452  -5.977 -5.697  1.00 96.82 13 A 1 
ATOM 97  C CB  . THR A 1 13 ? 4.101  -4.927 -2.564  1.00 97.01 13 A 1 
ATOM 98  O OG1 . THR A 1 13 ? 4.493  -3.901 -1.650  1.00 92.97 13 A 1 
ATOM 99  C CG2 . THR A 1 13 ? 5.112  -6.062 -2.504  1.00 92.38 13 A 1 
ATOM 100 N N   . VAL A 1 14 ? 2.343  -5.786 -4.953  1.00 98.21 14 A 1 
ATOM 101 C CA  . VAL A 1 14 ? 1.822  -6.821 -5.840  1.00 98.03 14 A 1 
ATOM 102 C C   . VAL A 1 14 ? 1.989  -6.413 -7.296  1.00 98.11 14 A 1 
ATOM 103 O O   . VAL A 1 14 ? 2.390  -7.221 -8.140  1.00 97.38 14 A 1 
ATOM 104 C CB  . VAL A 1 14 ? 0.341  -7.096 -5.545  1.00 97.37 14 A 1 
ATOM 105 C CG1 . VAL A 1 14 ? -0.227 -8.078 -6.561  1.00 95.18 14 A 1 
ATOM 106 C CG2 . VAL A 1 14 ? 0.181  -7.643 -4.139  1.00 95.43 14 A 1 
ATOM 107 N N   . ALA A 1 15 ? 1.680  -5.166 -7.587  1.00 98.04 15 A 1 
ATOM 108 C CA  . ALA A 1 15 ? 1.787  -4.651 -8.949  1.00 97.92 15 A 1 
ATOM 109 C C   . ALA A 1 15 ? 3.230  -4.690 -9.438  1.00 97.92 15 A 1 
ATOM 110 O O   . ALA A 1 15 ? 3.499  -5.040 -10.586 1.00 97.28 15 A 1 
ATOM 111 C CB  . ALA A 1 15 ? 1.256  -3.224 -9.008  1.00 97.42 15 A 1 
ATOM 112 N N   . TYR A 1 16 ? 4.142  -4.329 -8.559  1.00 97.35 16 A 1 
ATOM 113 C CA  . TYR A 1 16 ? 5.561  -4.311 -8.902  1.00 97.04 16 A 1 
ATOM 114 C C   . TYR A 1 16 ? 6.113  -5.728 -9.017  1.00 96.88 16 A 1 
ATOM 115 O O   . TYR A 1 16 ? 7.008  -5.988 -9.820  1.00 95.42 16 A 1 
ATOM 116 C CB  . TYR A 1 16 ? 6.347  -3.536 -7.836  1.00 95.98 16 A 1 
ATOM 117 C CG  . TYR A 1 16 ? 6.290  -2.031 -8.039  1.00 92.53 16 A 1 
ATOM 118 C CD1 . TYR A 1 16 ? 5.082  -1.357 -8.072  1.00 90.95 16 A 1 
ATOM 119 C CD2 . TYR A 1 16 ? 7.461  -1.299 -8.194  1.00 90.14 16 A 1 
ATOM 120 C CE1 . TYR A 1 16 ? 5.029  0.013  -8.262  1.00 89.92 16 A 1 
ATOM 121 C CE2 . TYR A 1 16 ? 7.418  0.081  -8.378  1.00 88.87 16 A 1 
ATOM 122 C CZ  . TYR A 1 16 ? 6.196  0.727  -8.411  1.00 89.17 16 A 1 
ATOM 123 O OH  . TYR A 1 16 ? 6.147  2.087  -8.599  1.00 87.81 16 A 1 
ATOM 124 N N   . ALA A 1 17 ? 5.583  -6.637 -8.208  1.00 96.19 17 A 1 
ATOM 125 C CA  . ALA A 1 17 ? 6.024  -8.029 -8.200  1.00 94.87 17 A 1 
ATOM 126 C C   . ALA A 1 17 ? 5.821  -8.660 -9.571  1.00 93.00 17 A 1 
ATOM 127 O O   . ALA A 1 17 ? 6.723  -9.403 -10.017 1.00 89.85 17 A 1 
ATOM 128 C CB  . ALA A 1 17 ? 5.267  -8.811 -7.130  1.00 92.23 17 A 1 
ATOM 129 O OXT . ALA A 1 17 ? 4.773  -8.448 -10.184 1.00 84.61 17 A 1 
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