# 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_dimerizationdomainhpr2
#
_entry.id dimerizationdomainhpr2
#
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" 
"C4 H7 N O4"   133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O         ? "L-PEPTIDE LINKING" 
"C3 H7 N O2 S" 121.158 CYS y CYSTEINE        C([C@@H](C(=O)O)N)S              ? "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" 
"C2 H5 N O2"   75.067  GLY y GLYCINE         C(C(=O)O)N                       ? "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" 
"C3 H7 N O3"   105.093 SER y SERINE          C([C@@H](C(=O)O)N)O              ? "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 ASP 1  
1 n VAL 2  
1 n LEU 3  
1 n THR 4  
1 n GLU 5  
1 n ASP 6  
1 n VAL 7  
1 n ALA 8  
1 n ASP 9  
1 n LEU 10 
1 n ALA 11 
1 n ILE 12 
1 n GLY 13 
1 n LEU 14 
1 n ILE 15 
1 n LEU 16 
1 n ALA 17 
1 n LEU 18 
1 n LEU 19 
1 n ARG 20 
1 n ARG 21 
1 n LEU 22 
1 n CYS 23 
1 n GLU 24 
1 n CYS 25 
1 n ASP 26 
1 n ARG 27 
1 n TYR 28 
1 n VAL 29 
1 n ARG 30 
1 n SER 31 
1 n GLY 32 
#
_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 (3.0.1 @ 2026-08-04 15:37:09)"
_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 92.40
_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 ASP 1  2 85.39 1 1  
A VAL 2  2 93.11 1 2  
A LEU 3  2 92.50 1 3  
A THR 4  2 93.63 1 4  
A GLU 5  2 88.56 1 5  
A ASP 6  2 92.75 1 6  
A VAL 7  2 96.03 1 7  
A ALA 8  2 97.80 1 8  
A ASP 9  2 95.21 1 9  
A LEU 10 2 96.10 1 10 
A ALA 11 2 98.27 1 11 
A ILE 12 2 96.94 1 12 
A GLY 13 2 98.52 1 13 
A LEU 14 2 95.93 1 14 
A ILE 15 2 97.86 1 15 
A LEU 16 2 96.17 1 16 
A ALA 17 2 98.33 1 17 
A LEU 18 2 96.43 1 18 
A LEU 19 2 96.51 1 19 
A ARG 20 2 87.52 1 20 
A ARG 21 2 88.15 1 21 
A LEU 22 2 94.48 1 22 
A CYS 23 2 94.64 1 23 
A GLU 24 2 91.25 1 24 
A CYS 25 2 94.21 1 25 
A ASP 26 2 92.01 1 26 
A ARG 27 2 83.84 1 27 
A TYR 28 2 92.31 1 28 
A VAL 29 2 94.26 1 29 
A ARG 30 2 83.37 1 30 
A SER 31 2 91.53 1 31 
A GLY 32 2 80.93 1 32 
#
_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 ASP . 1  A 1  
A 2  1 n VAL . 2  A 2  
A 3  1 n LEU . 3  A 3  
A 4  1 n THR . 4  A 4  
A 5  1 n GLU . 5  A 5  
A 6  1 n ASP . 6  A 6  
A 7  1 n VAL . 7  A 7  
A 8  1 n ALA . 8  A 8  
A 9  1 n ASP . 9  A 9  
A 10 1 n LEU . 10 A 10 
A 11 1 n ALA . 11 A 11 
A 12 1 n ILE . 12 A 12 
A 13 1 n GLY . 13 A 13 
A 14 1 n LEU . 14 A 14 
A 15 1 n ILE . 15 A 15 
A 16 1 n LEU . 16 A 16 
A 17 1 n ALA . 17 A 17 
A 18 1 n LEU . 18 A 18 
A 19 1 n LEU . 19 A 19 
A 20 1 n ARG . 20 A 20 
A 21 1 n ARG . 21 A 21 
A 22 1 n LEU . 22 A 22 
A 23 1 n CYS . 23 A 23 
A 24 1 n GLU . 24 A 24 
A 25 1 n CYS . 25 A 25 
A 26 1 n ASP . 26 A 26 
A 27 1 n ARG . 27 A 27 
A 28 1 n TYR . 28 A 28 
A 29 1 n VAL . 29 A 29 
A 30 1 n ARG . 30 A 30 
A 31 1 n SER . 31 A 31 
A 32 1 n GLY . 32 A 32 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (25b635fa27adb4b12654a9dc6367a96b1463ec03aa886066ffc6cf0691bbe007)"
#
_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   . ASP A 1 1  ? 10.603  -19.883 3.380   1.00 88.55 1  A 1 
ATOM 2   C CA  . ASP A 1 1  ? 11.718  -19.262 4.102   1.00 91.14 1  A 1 
ATOM 3   C C   . ASP A 1 1  ? 11.261  -17.925 4.690   1.00 91.96 1  A 1 
ATOM 4   O O   . ASP A 1 1  ? 10.489  -17.224 4.041   1.00 87.18 1  A 1 
ATOM 5   C CB  . ASP A 1 1  ? 12.903  -19.057 3.150   1.00 86.96 1  A 1 
ATOM 6   C CG  . ASP A 1 1  ? 14.212  -19.231 3.896   1.00 80.40 1  A 1 
ATOM 7   O OD1 . ASP A 1 1  ? 14.682  -18.233 4.440   1.00 78.07 1  A 1 
ATOM 8   O OD2 . ASP A 1 1  ? 14.675  -20.389 3.951   1.00 78.85 1  A 1 
ATOM 9   N N   . VAL A 1 2  ? 11.710  -17.585 5.890   1.00 95.75 2  A 1 
ATOM 10  C CA  . VAL A 1 2  ? 11.274  -16.366 6.604   1.00 95.74 2  A 1 
ATOM 11  C C   . VAL A 1 2  ? 11.516  -15.108 5.757   1.00 96.07 2  A 1 
ATOM 12  O O   . VAL A 1 2  ? 10.688  -14.203 5.726   1.00 94.44 2  A 1 
ATOM 13  C CB  . VAL A 1 2  ? 12.003  -16.239 7.952   1.00 94.61 2  A 1 
ATOM 14  C CG1 . VAL A 1 2  ? 11.307  -15.241 8.863   1.00 87.74 2  A 1 
ATOM 15  C CG2 . VAL A 1 2  ? 12.093  -17.573 8.703   1.00 87.43 2  A 1 
ATOM 16  N N   . LEU A 1 3  ? 12.602  -15.104 4.996   1.00 96.52 3  A 1 
ATOM 17  C CA  . LEU A 1 3  ? 12.926  -14.026 4.051   1.00 96.41 3  A 1 
ATOM 18  C C   . LEU A 1 3  ? 11.835  -13.800 3.004   1.00 96.73 3  A 1 
ATOM 19  O O   . LEU A 1 3  ? 11.604  -12.667 2.598   1.00 95.73 3  A 1 
ATOM 20  C CB  . LEU A 1 3  ? 14.240  -14.391 3.344   1.00 95.43 3  A 1 
ATOM 21  C CG  . LEU A 1 3  ? 15.471  -13.990 4.165   1.00 89.26 3  A 1 
ATOM 22  C CD1 . LEU A 1 3  ? 16.608  -14.982 3.966   1.00 85.45 3  A 1 
ATOM 23  C CD2 . LEU A 1 3  ? 15.958  -12.612 3.736   1.00 84.48 3  A 1 
ATOM 24  N N   . THR A 1 4  ? 11.182  -14.857 2.554   1.00 96.47 4  A 1 
ATOM 25  C CA  . THR A 1 4  ? 10.110  -14.748 1.557   1.00 96.72 4  A 1 
ATOM 26  C C   . THR A 1 4  ? 8.867   -14.116 2.171   1.00 96.86 4  A 1 
ATOM 27  O O   . THR A 1 4  ? 8.212   -13.310 1.516   1.00 95.97 4  A 1 
ATOM 28  C CB  . THR A 1 4  ? 9.765   -16.120 0.975   1.00 95.23 4  A 1 
ATOM 29  O OG1 . THR A 1 4  ? 10.937  -16.816 0.620   1.00 88.02 4  A 1 
ATOM 30  C CG2 . THR A 1 4  ? 8.926   -16.010 -0.293  1.00 86.15 4  A 1 
ATOM 31  N N   . GLU A 1 5  ? 8.568   -14.450 3.414   1.00 96.85 5  A 1 
ATOM 32  C CA  . GLU A 1 5  ? 7.459   -13.851 4.160   1.00 97.05 5  A 1 
ATOM 33  C C   . GLU A 1 5  ? 7.733   -12.373 4.438   1.00 97.32 5  A 1 
ATOM 34  O O   . GLU A 1 5  ? 6.881   -11.540 4.137   1.00 96.06 5  A 1 
ATOM 35  C CB  . GLU A 1 5  ? 7.209   -14.626 5.452   1.00 95.76 5  A 1 
ATOM 36  C CG  . GLU A 1 5  ? 6.709   -16.035 5.146   1.00 86.96 5  A 1 
ATOM 37  C CD  . GLU A 1 5  ? 6.399   -16.817 6.422   1.00 80.09 5  A 1 
ATOM 38  O OE1 . GLU A 1 5  ? 5.218   -16.839 6.810   1.00 73.07 5  A 1 
ATOM 39  O OE2 . GLU A 1 5  ? 7.335   -17.405 6.993   1.00 73.90 5  A 1 
ATOM 40  N N   . ASP A 1 6  ? 8.944   -12.035 4.876   1.00 97.40 6  A 1 
ATOM 41  C CA  . ASP A 1 6  ? 9.335   -10.642 5.104   1.00 97.55 6  A 1 
ATOM 42  C C   . ASP A 1 6  ? 9.262   -9.803  3.824   1.00 97.91 6  A 1 
ATOM 43  O O   . ASP A 1 6  ? 8.772   -8.673  3.836   1.00 96.74 6  A 1 
ATOM 44  C CB  . ASP A 1 6  ? 10.766  -10.592 5.650   1.00 96.35 6  A 1 
ATOM 45  C CG  . ASP A 1 6  ? 10.869  -11.009 7.110   1.00 89.76 6  A 1 
ATOM 46  O OD1 . ASP A 1 6  ? 10.005  -10.581 7.903   1.00 83.63 6  A 1 
ATOM 47  O OD2 . ASP A 1 6  ? 11.846  -11.710 7.439   1.00 82.65 6  A 1 
ATOM 48  N N   . VAL A 1 7  ? 9.715   -10.354 2.701   1.00 97.64 7  A 1 
ATOM 49  C CA  . VAL A 1 7  ? 9.624   -9.682  1.396   1.00 97.89 7  A 1 
ATOM 50  C C   . VAL A 1 7  ? 8.168   -9.524  0.966   1.00 98.13 7  A 1 
ATOM 51  O O   . VAL A 1 7  ? 7.802   -8.479  0.428   1.00 97.61 7  A 1 
ATOM 52  C CB  . VAL A 1 7  ? 10.439  -10.443 0.336   1.00 97.12 7  A 1 
ATOM 53  C CG1 . VAL A 1 7  ? 10.201  -9.918  -1.084  1.00 91.66 7  A 1 
ATOM 54  C CG2 . VAL A 1 7  ? 11.934  -10.303 0.609   1.00 92.13 7  A 1 
ATOM 55  N N   . ALA A 1 8  ? 7.335   -10.527 1.215   1.00 97.89 8  A 1 
ATOM 56  C CA  . ALA A 1 8  ? 5.911   -10.457 0.917   1.00 97.92 8  A 1 
ATOM 57  C C   . ALA A 1 8  ? 5.223   -9.385  1.768   1.00 98.15 8  A 1 
ATOM 58  O O   . ALA A 1 8  ? 4.483   -8.572  1.222   1.00 97.78 8  A 1 
ATOM 59  C CB  . ALA A 1 8  ? 5.278   -11.835 1.111   1.00 97.25 8  A 1 
ATOM 60  N N   . ASP A 1 9  ? 5.513   -9.328  3.059   1.00 98.09 9  A 1 
ATOM 61  C CA  . ASP A 1 9  ? 4.979   -8.301  3.952   1.00 98.20 9  A 1 
ATOM 62  C C   . ASP A 1 9  ? 5.420   -6.900  3.534   1.00 98.41 9  A 1 
ATOM 63  O O   . ASP A 1 9  ? 4.607   -5.975  3.488   1.00 98.00 9  A 1 
ATOM 64  C CB  . ASP A 1 9  ? 5.422   -8.586  5.387   1.00 97.54 9  A 1 
ATOM 65  C CG  . ASP A 1 9  ? 4.571   -9.662  6.046   1.00 93.22 9  A 1 
ATOM 66  O OD1 . ASP A 1 9  ? 3.342   -9.641  5.811   1.00 88.83 9  A 1 
ATOM 67  O OD2 . ASP A 1 9  ? 5.132   -10.459 6.815   1.00 89.38 9  A 1 
ATOM 68  N N   . LEU A 1 10 ? 6.682   -6.748  3.157   1.00 98.28 10 A 1 
ATOM 69  C CA  . LEU A 1 10 ? 7.198   -5.482  2.648   1.00 98.23 10 A 1 
ATOM 70  C C   . LEU A 1 10 ? 6.498   -5.077  1.346   1.00 98.47 10 A 1 
ATOM 71  O O   . LEU A 1 10 ? 6.092   -3.923  1.194   1.00 98.26 10 A 1 
ATOM 72  C CB  . LEU A 1 10 ? 8.716   -5.598  2.439   1.00 97.89 10 A 1 
ATOM 73  C CG  . LEU A 1 10 ? 9.392   -4.220  2.472   1.00 94.51 10 A 1 
ATOM 74  C CD1 . LEU A 1 10 ? 9.927   -3.923  3.876   1.00 91.27 10 A 1 
ATOM 75  C CD2 . LEU A 1 10 ? 10.553  -4.154  1.489   1.00 91.87 10 A 1 
ATOM 76  N N   . ALA A 1 11 ? 6.324   -6.018  0.429   1.00 98.27 11 A 1 
ATOM 77  C CA  . ALA A 1 11 ? 5.630   -5.782  -0.835  1.00 98.32 11 A 1 
ATOM 78  C C   . ALA A 1 11 ? 4.164   -5.401  -0.602  1.00 98.55 11 A 1 
ATOM 79  O O   . ALA A 1 11 ? 3.681   -4.436  -1.189  1.00 98.29 11 A 1 
ATOM 80  C CB  . ALA A 1 11 ? 5.758   -7.029  -1.718  1.00 97.90 11 A 1 
ATOM 81  N N   . ILE A 1 12 ? 3.478   -6.104  0.286   1.00 98.42 12 A 1 
ATOM 82  C CA  . ILE A 1 12 ? 2.098   -5.796  0.664   1.00 98.43 12 A 1 
ATOM 83  C C   . ILE A 1 12 ? 2.021   -4.407  1.299   1.00 98.57 12 A 1 
ATOM 84  O O   . ILE A 1 12 ? 1.149   -3.618  0.933   1.00 98.43 12 A 1 
ATOM 85  C CB  . ILE A 1 12 ? 1.549   -6.888  1.597   1.00 98.09 12 A 1 
ATOM 86  C CG1 . ILE A 1 12 ? 1.354   -8.207  0.821   1.00 96.47 12 A 1 
ATOM 87  C CG2 . ILE A 1 12 ? 0.213   -6.467  2.226   1.00 96.00 12 A 1 
ATOM 88  C CD1 . ILE A 1 12 ? 1.206   -9.429  1.733   1.00 91.11 12 A 1 
ATOM 89  N N   . GLY A 1 13 ? 2.931   -4.085  2.195   1.00 98.48 13 A 1 
ATOM 90  C CA  . GLY A 1 13 ? 3.010   -2.753  2.798   1.00 98.51 13 A 1 
ATOM 91  C C   . GLY A 1 13 ? 3.189   -1.646  1.757   1.00 98.66 13 A 1 
ATOM 92  O O   . GLY A 1 13 ? 2.507   -0.622  1.821   1.00 98.44 13 A 1 
ATOM 93  N N   . LEU A 1 14 ? 4.044   -1.880  0.777   1.00 98.58 14 A 1 
ATOM 94  C CA  . LEU A 1 14 ? 4.287   -0.935  -0.315  1.00 98.56 14 A 1 
ATOM 95  C C   . LEU A 1 14 ? 3.050   -0.774  -1.201  1.00 98.67 14 A 1 
ATOM 96  O O   . LEU A 1 14 ? 2.661   0.348   -1.525  1.00 98.54 14 A 1 
ATOM 97  C CB  . LEU A 1 14 ? 5.512   -1.421  -1.112  1.00 98.36 14 A 1 
ATOM 98  C CG  . LEU A 1 14 ? 6.507   -0.288  -1.419  1.00 92.30 14 A 1 
ATOM 99  C CD1 . LEU A 1 14 ? 7.937   -0.811  -1.338  1.00 90.65 14 A 1 
ATOM 100 C CD2 . LEU A 1 14 ? 6.280   0.301   -2.799  1.00 91.77 14 A 1 
ATOM 101 N N   . ILE A 1 15 ? 2.396   -1.875  -1.540  1.00 98.71 15 A 1 
ATOM 102 C CA  . ILE A 1 15 ? 1.151   -1.871  -2.316  1.00 98.69 15 A 1 
ATOM 103 C C   . ILE A 1 15 ? 0.048   -1.134  -1.548  1.00 98.71 15 A 1 
ATOM 104 O O   . ILE A 1 15 ? -0.644  -0.293  -2.123  1.00 98.56 15 A 1 
ATOM 105 C CB  . ILE A 1 15 ? 0.744   -3.316  -2.669  1.00 98.57 15 A 1 
ATOM 106 C CG1 . ILE A 1 15 ? 1.718   -3.910  -3.710  1.00 97.69 15 A 1 
ATOM 107 C CG2 . ILE A 1 15 ? -0.693  -3.382  -3.215  1.00 97.43 15 A 1 
ATOM 108 C CD1 . ILE A 1 15 ? 1.637   -5.433  -3.810  1.00 94.50 15 A 1 
ATOM 109 N N   . LEU A 1 16 ? -0.104  -1.405  -0.263  1.00 98.56 16 A 1 
ATOM 110 C CA  . LEU A 1 16 ? -1.091  -0.730  0.577   1.00 98.45 16 A 1 
ATOM 111 C C   . LEU A 1 16 ? -0.815  0.771   0.683   1.00 98.45 16 A 1 
ATOM 112 O O   . LEU A 1 16 ? -1.754  1.567   0.613   1.00 98.24 16 A 1 
ATOM 113 C CB  . LEU A 1 16 ? -1.091  -1.365  1.974   1.00 98.23 16 A 1 
ATOM 114 C CG  . LEU A 1 16 ? -1.804  -2.721  2.046   1.00 93.14 16 A 1 
ATOM 115 C CD1 . LEU A 1 16 ? -1.545  -3.351  3.412   1.00 91.80 16 A 1 
ATOM 116 C CD2 . LEU A 1 16 ? -3.313  -2.578  1.866   1.00 92.46 16 A 1 
ATOM 117 N N   . ALA A 1 17 ? 0.441   1.162   0.821   1.00 98.53 17 A 1 
ATOM 118 C CA  . ALA A 1 17 ? 0.821   2.572   0.841   1.00 98.43 17 A 1 
ATOM 119 C C   . ALA A 1 17 ? 0.500   3.261   -0.495  1.00 98.46 17 A 1 
ATOM 120 O O   . ALA A 1 17 ? -0.046  4.367   -0.505  1.00 98.03 17 A 1 
ATOM 121 C CB  . ALA A 1 17 ? 2.311   2.672   1.181   1.00 98.19 17 A 1 
ATOM 122 N N   . LEU A 1 18 ? 0.781   2.589   -1.605  1.00 98.62 18 A 1 
ATOM 123 C CA  . LEU A 1 18 ? 0.463   3.088   -2.938  1.00 98.57 18 A 1 
ATOM 124 C C   . LEU A 1 18 ? -1.050  3.198   -3.142  1.00 98.57 18 A 1 
ATOM 125 O O   . LEU A 1 18 ? -1.536  4.232   -3.594  1.00 98.27 18 A 1 
ATOM 126 C CB  . LEU A 1 18 ? 1.097   2.153   -3.985  1.00 98.44 18 A 1 
ATOM 127 C CG  . LEU A 1 18 ? 1.210   2.826   -5.362  1.00 94.59 18 A 1 
ATOM 128 C CD1 . LEU A 1 18 ? 2.495   3.656   -5.445  1.00 91.82 18 A 1 
ATOM 129 C CD2 . LEU A 1 18 ? 1.233   1.780   -6.467  1.00 92.58 18 A 1 
ATOM 130 N N   . LEU A 1 19 ? -1.795  2.170   -2.754  1.00 98.58 19 A 1 
ATOM 131 C CA  . LEU A 1 19 ? -3.255  2.154   -2.830  1.00 98.45 19 A 1 
ATOM 132 C C   . LEU A 1 19 ? -3.876  3.254   -1.974  1.00 98.32 19 A 1 
ATOM 133 O O   . LEU A 1 19 ? -4.810  3.911   -2.426  1.00 97.77 19 A 1 
ATOM 134 C CB  . LEU A 1 19 ? -3.783  0.784   -2.388  1.00 98.27 19 A 1 
ATOM 135 C CG  . LEU A 1 19 ? -3.681  -0.299  -3.465  1.00 95.28 19 A 1 
ATOM 136 C CD1 . LEU A 1 19 ? -3.986  -1.656  -2.842  1.00 92.50 19 A 1 
ATOM 137 C CD2 . LEU A 1 19 ? -4.671  -0.062  -4.604  1.00 92.89 19 A 1 
ATOM 138 N N   . ARG A 1 20 ? -3.358  3.501   -0.782  1.00 98.45 20 A 1 
ATOM 139 C CA  . ARG A 1 20 ? -3.820  4.620   0.050   1.00 98.38 20 A 1 
ATOM 140 C C   . ARG A 1 20 ? -3.630  5.954   -0.655  1.00 98.21 20 A 1 
ATOM 141 O O   . ARG A 1 20 ? -4.568  6.744   -0.681  1.00 97.52 20 A 1 
ATOM 142 C CB  . ARG A 1 20 ? -3.097  4.646   1.394   1.00 98.08 20 A 1 
ATOM 143 C CG  . ARG A 1 20 ? -3.805  3.769   2.418   1.00 91.77 20 A 1 
ATOM 144 C CD  . ARG A 1 20 ? -3.198  4.029   3.791   1.00 87.35 20 A 1 
ATOM 145 N NE  . ARG A 1 20 ? -3.836  3.215   4.828   1.00 80.59 20 A 1 
ATOM 146 C CZ  . ARG A 1 20 ? -3.562  3.286   6.117   1.00 74.13 20 A 1 
ATOM 147 N NH1 . ARG A 1 20 ? -2.692  4.140   6.593   1.00 70.07 20 A 1 
ATOM 148 N NH2 . ARG A 1 20 ? -4.157  2.484   6.954   1.00 68.20 20 A 1 
ATOM 149 N N   . ARG A 1 21 ? -2.468  6.183   -1.242  1.00 98.22 21 A 1 
ATOM 150 C CA  . ARG A 1 21 ? -2.221  7.409   -2.012  1.00 98.10 21 A 1 
ATOM 151 C C   . ARG A 1 21 ? -3.147  7.515   -3.219  1.00 98.04 21 A 1 
ATOM 152 O O   . ARG A 1 21 ? -3.675  8.593   -3.475  1.00 96.94 21 A 1 
ATOM 153 C CB  . ARG A 1 21 ? -0.761  7.468   -2.469  1.00 97.70 21 A 1 
ATOM 154 C CG  . ARG A 1 21 ? 0.114   8.152   -1.426  1.00 92.53 21 A 1 
ATOM 155 C CD  . ARG A 1 21 ? 1.513   8.362   -1.994  1.00 87.63 21 A 1 
ATOM 156 N NE  . ARG A 1 21 ? 2.293   9.287   -1.161  1.00 83.29 21 A 1 
ATOM 157 C CZ  . ARG A 1 21 ? 3.520   9.701   -1.427  1.00 75.45 21 A 1 
ATOM 158 N NH1 . ARG A 1 21 ? 4.184   9.271   -2.465  1.00 72.99 21 A 1 
ATOM 159 N NH2 . ARG A 1 21 ? 4.102   10.572  -0.647  1.00 68.81 21 A 1 
ATOM 160 N N   . LEU A 1 22 ? -3.366  6.417   -3.921  1.00 97.86 22 A 1 
ATOM 161 C CA  . LEU A 1 22 ? -4.256  6.386   -5.076  1.00 97.69 22 A 1 
ATOM 162 C C   . LEU A 1 22 ? -5.705  6.666   -4.662  1.00 97.65 22 A 1 
ATOM 163 O O   . LEU A 1 22 ? -6.364  7.501   -5.272  1.00 96.84 22 A 1 
ATOM 164 C CB  . LEU A 1 22 ? -4.132  5.025   -5.779  1.00 97.29 22 A 1 
ATOM 165 C CG  . LEU A 1 22 ? -4.383  5.138   -7.287  1.00 91.68 22 A 1 
ATOM 166 C CD1 . LEU A 1 22 ? -3.080  5.486   -8.017  1.00 88.17 22 A 1 
ATOM 167 C CD2 . LEU A 1 22 ? -4.916  3.826   -7.841  1.00 88.62 22 A 1 
ATOM 168 N N   . CYS A 1 23 ? -6.177  6.028   -3.595  1.00 97.49 23 A 1 
ATOM 169 C CA  . CYS A 1 23 ? -7.511  6.271   -3.042  1.00 96.99 23 A 1 
ATOM 170 C C   . CYS A 1 23 ? -7.683  7.724   -2.586  1.00 97.03 23 A 1 
ATOM 171 O O   . CYS A 1 23 ? -8.755  8.296   -2.754  1.00 95.77 23 A 1 
ATOM 172 C CB  . CYS A 1 23 ? -7.749  5.333   -1.855  1.00 95.87 23 A 1 
ATOM 173 S SG  . CYS A 1 23 ? -8.310  3.706   -2.416  1.00 84.70 23 A 1 
ATOM 174 N N   . GLU A 1 24 ? -6.656  8.312   -2.021  1.00 97.10 24 A 1 
ATOM 175 C CA  . GLU A 1 24 ? -6.683  9.712   -1.617  1.00 97.12 24 A 1 
ATOM 176 C C   . GLU A 1 24 ? -6.758  10.634  -2.839  1.00 97.15 24 A 1 
ATOM 177 O O   . GLU A 1 24 ? -7.564  11.566  -2.839  1.00 96.28 24 A 1 
ATOM 178 C CB  . GLU A 1 24 ? -5.459  10.000  -0.744  1.00 96.54 24 A 1 
ATOM 179 C CG  . GLU A 1 24 ? -5.635  11.289  0.054   1.00 90.29 24 A 1 
ATOM 180 C CD  . GLU A 1 24 ? -4.603  11.342  1.181   1.00 85.43 24 A 1 
ATOM 181 O OE1 . GLU A 1 24 ? -3.425  11.617  0.881   1.00 80.20 24 A 1 
ATOM 182 O OE2 . GLU A 1 24 ? -4.982  11.071  2.341   1.00 81.11 24 A 1 
ATOM 183 N N   . CYS A 1 25 ? -6.027  10.331  -3.895  1.00 96.54 25 A 1 
ATOM 184 C CA  . CYS A 1 25 ? -6.136  11.046  -5.169  1.00 96.40 25 A 1 
ATOM 185 C C   . CYS A 1 25 ? -7.542  10.932  -5.765  1.00 96.82 25 A 1 
ATOM 186 O O   . CYS A 1 25 ? -8.124  11.938  -6.155  1.00 95.07 25 A 1 
ATOM 187 C CB  . CYS A 1 25 ? -5.096  10.506  -6.158  1.00 95.05 25 A 1 
ATOM 188 S SG  . CYS A 1 25 ? -3.720  11.675  -6.319  1.00 85.36 25 A 1 
ATOM 189 N N   . ASP A 1 26 ? -8.103  9.733   -5.791  1.00 96.54 26 A 1 
ATOM 190 C CA  . ASP A 1 26 ? -9.457  9.512   -6.300  1.00 96.88 26 A 1 
ATOM 191 C C   . ASP A 1 26 ? -10.497 10.278  -5.482  1.00 97.18 26 A 1 
ATOM 192 O O   . ASP A 1 26 ? -11.414 10.882  -6.038  1.00 96.51 26 A 1 
ATOM 193 C CB  . ASP A 1 26 ? -9.789  8.019   -6.280  1.00 96.05 26 A 1 
ATOM 194 C CG  . ASP A 1 26 ? -9.177  7.243   -7.440  1.00 88.29 26 A 1 
ATOM 195 O OD1 . ASP A 1 26 ? -8.723  7.877   -8.416  1.00 82.25 26 A 1 
ATOM 196 O OD2 . ASP A 1 26 ? -9.231  5.997   -7.371  1.00 82.36 26 A 1 
ATOM 197 N N   . ARG A 1 27 ? -10.342 10.299  -4.156  1.00 96.43 27 A 1 
ATOM 198 C CA  . ARG A 1 27 ? -11.205 11.101  -3.283  1.00 96.24 27 A 1 
ATOM 199 C C   . ARG A 1 27 ? -11.049 12.589  -3.554  1.00 96.36 27 A 1 
ATOM 200 O O   . ARG A 1 27 ? -12.053 13.294  -3.557  1.00 95.23 27 A 1 
ATOM 201 C CB  . ARG A 1 27 ? -10.897 10.812  -1.814  1.00 95.03 27 A 1 
ATOM 202 C CG  . ARG A 1 27 ? -11.621 9.551   -1.350  1.00 85.79 27 A 1 
ATOM 203 C CD  . ARG A 1 27 ? -11.332 9.342   0.134   1.00 83.38 27 A 1 
ATOM 204 N NE  . ARG A 1 27 ? -12.215 8.323   0.705   1.00 76.95 27 A 1 
ATOM 205 C CZ  . ARG A 1 27 ? -12.231 7.965   1.974   1.00 69.04 27 A 1 
ATOM 206 N NH1 . ARG A 1 27 ? -11.396 8.471   2.842   1.00 65.03 27 A 1 
ATOM 207 N NH2 . ARG A 1 27 ? -13.100 7.084   2.393   1.00 62.79 27 A 1 
ATOM 208 N N   . TYR A 1 28 ? -9.837  13.039  -3.785  1.00 96.25 28 A 1 
ATOM 209 C CA  . TYR A 1 28 ? -9.573  14.441  -4.090  1.00 96.45 28 A 1 
ATOM 210 C C   . TYR A 1 28 ? -10.247 14.860  -5.399  1.00 96.80 28 A 1 
ATOM 211 O O   . TYR A 1 28 ? -10.932 15.879  -5.444  1.00 95.63 28 A 1 
ATOM 212 C CB  . TYR A 1 28 ? -8.061  14.658  -4.142  1.00 95.78 28 A 1 
ATOM 213 C CG  . TYR A 1 28 ? -7.687  16.105  -3.930  1.00 93.33 28 A 1 
ATOM 214 C CD1 . TYR A 1 28 ? -7.513  16.962  -5.021  1.00 89.72 28 A 1 
ATOM 215 C CD2 . TYR A 1 28 ? -7.533  16.590  -2.622  1.00 90.03 28 A 1 
ATOM 216 C CE1 . TYR A 1 28 ? -7.182  18.306  -4.809  1.00 89.36 28 A 1 
ATOM 217 C CE2 . TYR A 1 28 ? -7.203  17.934  -2.403  1.00 89.65 28 A 1 
ATOM 218 C CZ  . TYR A 1 28 ? -7.029  18.786  -3.500  1.00 87.56 28 A 1 
ATOM 219 O OH  . TYR A 1 28 ? -6.708  20.100  -3.288  1.00 87.19 28 A 1 
ATOM 220 N N   . VAL A 1 29 ? -10.133 14.034  -6.431  1.00 96.20 29 A 1 
ATOM 221 C CA  . VAL A 1 29 ? -10.797 14.269  -7.723  1.00 96.46 29 A 1 
ATOM 222 C C   . VAL A 1 29 ? -12.316 14.236  -7.575  1.00 96.80 29 A 1 
ATOM 223 O O   . VAL A 1 29 ? -13.006 15.051  -8.180  1.00 95.87 29 A 1 
ATOM 224 C CB  . VAL A 1 29 ? -10.325 13.239  -8.764  1.00 95.46 29 A 1 
ATOM 225 C CG1 . VAL A 1 29 ? -11.102 13.339  -10.075 1.00 89.68 29 A 1 
ATOM 226 C CG2 . VAL A 1 29 ? -8.851  13.448  -9.092  1.00 89.37 29 A 1 
ATOM 227 N N   . ARG A 1 30 ? -12.840 13.333  -6.763  1.00 95.67 30 A 1 
ATOM 228 C CA  . ARG A 1 30 ? -14.286 13.243  -6.516  1.00 95.08 30 A 1 
ATOM 229 C C   . ARG A 1 30 ? -14.815 14.385  -5.659  1.00 93.75 30 A 1 
ATOM 230 O O   . ARG A 1 30 ? -15.965 14.769  -5.831  1.00 92.12 30 A 1 
ATOM 231 C CB  . ARG A 1 30 ? -14.621 11.899  -5.869  1.00 93.95 30 A 1 
ATOM 232 C CG  . ARG A 1 30 ? -15.630 11.127  -6.702  1.00 86.82 30 A 1 
ATOM 233 C CD  . ARG A 1 30 ? -16.005 9.836   -5.991  1.00 84.01 30 A 1 
ATOM 234 N NE  . ARG A 1 30 ? -16.916 9.027   -6.806  1.00 76.67 30 A 1 
ATOM 235 C CZ  . ARG A 1 30 ? -17.428 7.862   -6.448  1.00 71.01 30 A 1 
ATOM 236 N NH1 . ARG A 1 30 ? -17.174 7.338   -5.280  1.00 64.75 30 A 1 
ATOM 237 N NH2 . ARG A 1 30 ? -18.197 7.206   -7.264  1.00 63.27 30 A 1 
ATOM 238 N N   . SER A 1 31 ? -14.018 14.865  -4.742  1.00 95.30 31 A 1 
ATOM 239 C CA  . SER A 1 31 ? -14.424 15.954  -3.853  1.00 94.55 31 A 1 
ATOM 240 C C   . SER A 1 31 ? -14.475 17.292  -4.588  1.00 93.89 31 A 1 
ATOM 241 O O   . SER A 1 31 ? -15.267 18.144  -4.194  1.00 88.80 31 A 1 
ATOM 242 C CB  . SER A 1 31 ? -13.481 16.032  -2.659  1.00 92.65 31 A 1 
ATOM 243 O OG  . SER A 1 31 ? -14.006 16.929  -1.698  1.00 84.01 31 A 1 
ATOM 244 N N   . GLY A 1 32 ? -13.689 17.446  -5.646  1.00 88.81 32 A 1 
ATOM 245 C CA  . GLY A 1 32 ? -13.590 18.705  -6.390  1.00 84.00 32 A 1 
ATOM 246 C C   . GLY A 1 32 ? -12.937 19.794  -5.548  1.00 80.61 32 A 1 
ATOM 247 O O   . GLY A 1 32 ? -13.661 20.545  -4.889  1.00 73.17 32 A 1 
ATOM 248 O OXT . GLY A 1 32 ? -11.687 19.849  -5.565  1.00 78.08 32 A 1 
#
