# 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_helpful-army
#
_entry.id helpful-army
#
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
"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" 
"C9 H11 N O2"  165.189 PHE y PHENYLALANINE   c1ccc(cc1)C[C@@H](C(=O)O)N       ? "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 
#
loop_
_entity.id
_entity.pdbx_description
_entity.type
1 . polymer 
2 . polymer 
#
loop_
_entity_poly.entity_id
_entity_poly.pdbx_strand_id
_entity_poly.type
1 A polypeptide(L) 
2 B polypeptide(L) 
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.hetero
_entity_poly_seq.mon_id
_entity_poly_seq.num
1 n CYS 1  
1 n VAL 2  
1 n ASP 3  
1 n ARG 4  
1 n CYS 5  
1 n PHE 6  
1 n ARG 7  
1 n ASP 8  
1 n PHE 9  
1 n CYS 10 
1 n ARG 11 
1 n PHE 12 
1 n ASP 13 
1 n ARG 14 
1 n PHE 15 
1 n CYS 16 
1 n ARG 17 
1 n ASP 18 
1 n PHE 19 
1 n CYS 20 
1 n ASP 21 
1 n PHE 22 
1 n ARG 23 
1 n CYS 24 
1 n ASP 25 
1 n ARG 26 
2 n CYS 1  
2 n VAL 2  
2 n ASP 3  
2 n ARG 4  
2 n CYS 5  
2 n PHE 6  
2 n ARG 7  
2 n ASP 8  
2 n PHE 9  
2 n CYS 10 
2 n ARG 11 
2 n PHE 12 
2 n ASP 13 
2 n ARG 14 
2 n PHE 15 
2 n CYS 16 
2 n ARG 17 
2 n ASP 18 
2 n PHE 19 
2 n CYS 20 
2 n ASP 21 
2 n PHE 22 
2 n ARG 23 
2 n CYS 24 
2 n ASP 25 
2 n ARG 26 
#
_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 @ 2025-04-22 13:37:41)"
_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 57.70
_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 CYS 1  2 56.08 1 1  
A VAL 2  2 59.38 1 2  
A ASP 3  2 62.78 1 3  
A ARG 4  2 55.90 1 4  
A CYS 5  2 59.59 1 5  
A PHE 6  2 57.91 1 6  
A ARG 7  2 61.25 1 7  
A ASP 8  2 60.55 1 8  
A PHE 9  2 56.10 1 9  
A CYS 10 2 61.62 1 10 
A ARG 11 2 58.92 1 11 
A PHE 12 2 63.95 1 12 
A ASP 13 2 61.47 1 13 
A ARG 14 2 57.73 1 14 
A PHE 15 2 57.43 1 15 
A CYS 16 2 61.69 1 16 
A ARG 17 2 56.11 1 17 
A ASP 18 2 61.39 1 18 
A PHE 19 2 53.19 1 19 
A CYS 20 2 58.73 1 20 
A ASP 21 2 61.54 1 21 
A PHE 22 2 54.14 1 22 
A ARG 23 2 50.78 1 23 
A CYS 24 2 57.78 1 24 
A ASP 25 2 55.48 1 25 
A ARG 26 2 47.80 1 26 
B CYS 1  2 56.39 1 27 
B VAL 2  2 60.22 1 28 
B ASP 3  2 63.37 1 29 
B ARG 4  2 56.92 1 30 
B CYS 5  2 60.50 1 31 
B PHE 6  2 58.75 1 32 
B ARG 7  2 61.16 1 33 
B ASP 8  2 60.78 1 34 
B PHE 9  2 56.47 1 35 
B CYS 10 2 61.86 1 36 
B ARG 11 2 59.13 1 37 
B PHE 12 2 62.81 1 38 
B ASP 13 2 61.12 1 39 
B ARG 14 2 57.63 1 40 
B PHE 15 2 58.33 1 41 
B CYS 16 2 60.57 1 42 
B ARG 17 2 55.45 1 43 
B ASP 18 2 61.04 1 44 
B PHE 19 2 52.26 1 45 
B CYS 20 2 58.72 1 46 
B ASP 21 2 61.00 1 47 
B PHE 22 2 54.38 1 48 
B ARG 23 2 50.68 1 49 
B CYS 24 2 58.08 1 50 
B ASP 25 2 56.18 1 51 
B ARG 26 2 48.49 1 52 
#
_ma_software_group.group_id    1
_ma_software_group.ordinal_id  1
_ma_software_group.software_id 1
#
loop_
_ma_target_entity.data_id
_ma_target_entity.entity_id
_ma_target_entity.origin
1 1 . 
1 2 . 
#
loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.details
_ma_target_entity_instance.entity_id
A . 1 
B . 2 
#
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 CYS . 1  A 1  
A 2  1 n VAL . 2  A 2  
A 3  1 n ASP . 3  A 3  
A 4  1 n ARG . 4  A 4  
A 5  1 n CYS . 5  A 5  
A 6  1 n PHE . 6  A 6  
A 7  1 n ARG . 7  A 7  
A 8  1 n ASP . 8  A 8  
A 9  1 n PHE . 9  A 9  
A 10 1 n CYS . 10 A 10 
A 11 1 n ARG . 11 A 11 
A 12 1 n PHE . 12 A 12 
A 13 1 n ASP . 13 A 13 
A 14 1 n ARG . 14 A 14 
A 15 1 n PHE . 15 A 15 
A 16 1 n CYS . 16 A 16 
A 17 1 n ARG . 17 A 17 
A 18 1 n ASP . 18 A 18 
A 19 1 n PHE . 19 A 19 
A 20 1 n CYS . 20 A 20 
A 21 1 n ASP . 21 A 21 
A 22 1 n PHE . 22 A 22 
A 23 1 n ARG . 23 A 23 
A 24 1 n CYS . 24 A 24 
A 25 1 n ASP . 25 A 25 
A 26 1 n ARG . 26 A 26 
B 1  2 n CYS . 1  B 1  
B 2  2 n VAL . 2  B 2  
B 3  2 n ASP . 3  B 3  
B 4  2 n ARG . 4  B 4  
B 5  2 n CYS . 5  B 5  
B 6  2 n PHE . 6  B 6  
B 7  2 n ARG . 7  B 7  
B 8  2 n ASP . 8  B 8  
B 9  2 n PHE . 9  B 9  
B 10 2 n CYS . 10 B 10 
B 11 2 n ARG . 11 B 11 
B 12 2 n PHE . 12 B 12 
B 13 2 n ASP . 13 B 13 
B 14 2 n ARG . 14 B 14 
B 15 2 n PHE . 15 B 15 
B 16 2 n CYS . 16 B 16 
B 17 2 n ARG . 17 B 17 
B 18 2 n ASP . 18 B 18 
B 19 2 n PHE . 19 B 19 
B 20 2 n CYS . 20 B 20 
B 21 2 n ASP . 21 B 21 
B 22 2 n PHE . 22 B 22 
B 23 2 n ARG . 23 B 23 
B 24 2 n CYS . 24 B 24 
B 25 2 n ASP . 25 B 25 
B 26 2 n ARG . 26 B 26 
#
_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)"
#
loop_
_struct_asym.entity_id
_struct_asym.id
1 A 
2 B 
#
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   . CYS A 1 1  ? -0.255  -7.475  1.631   1.00 58.43 1  A 1 
ATOM 2   C CA  . CYS A 1 1  ? -0.809  -6.450  2.490   1.00 58.07 1  A 1 
ATOM 3   C C   . CYS A 1 1  ? -1.360  -5.223  1.771   1.00 58.28 1  A 1 
ATOM 4   O O   . CYS A 1 1  ? -2.477  -4.792  2.059   1.00 55.18 1  A 1 
ATOM 5   C CB  . CYS A 1 1  ? 0.285   -6.022  3.457   1.00 55.90 1  A 1 
ATOM 6   S SG  . CYS A 1 1  ? 1.787   -5.549  2.559   1.00 50.61 1  A 1 
ATOM 7   N N   . VAL A 1 2  ? -0.596  -4.653  0.839   1.00 61.28 2  A 1 
ATOM 8   C CA  . VAL A 1 2  ? -0.936  -3.354  0.272   1.00 61.55 2  A 1 
ATOM 9   C C   . VAL A 1 2  ? -2.149  -3.453  -0.656  1.00 62.68 2  A 1 
ATOM 10  O O   . VAL A 1 2  ? -2.913  -2.496  -0.785  1.00 61.40 2  A 1 
ATOM 11  C CB  . VAL A 1 2  ? 0.286   -2.738  -0.452  1.00 60.23 2  A 1 
ATOM 12  C CG1 . VAL A 1 2  ? -0.071  -1.413  -1.115  1.00 54.41 2  A 1 
ATOM 13  C CG2 . VAL A 1 2  ? 1.438   -2.524  0.529   1.00 54.11 2  A 1 
ATOM 14  N N   . ASP A 1 3  ? -2.352  -4.600  -1.272  1.00 64.87 3  A 1 
ATOM 15  C CA  . ASP A 1 3  ? -3.477  -4.799  -2.189  1.00 65.52 3  A 1 
ATOM 16  C C   . ASP A 1 3  ? -4.815  -4.455  -1.524  1.00 65.08 3  A 1 
ATOM 17  O O   . ASP A 1 3  ? -5.645  -3.746  -2.102  1.00 64.36 3  A 1 
ATOM 18  C CB  . ASP A 1 3  ? -3.468  -6.252  -2.692  1.00 65.63 3  A 1 
ATOM 19  C CG  . ASP A 1 3  ? -4.609  -6.552  -3.641  1.00 60.78 3  A 1 
ATOM 20  O OD1 . ASP A 1 3  ? -5.694  -6.927  -3.158  1.00 57.83 3  A 1 
ATOM 21  O OD2 . ASP A 1 3  ? -4.413  -6.435  -4.867  1.00 58.19 3  A 1 
ATOM 22  N N   . ARG A 1 4  ? -5.030  -4.910  -0.298  1.00 64.57 4  A 1 
ATOM 23  C CA  . ARG A 1 4  ? -6.286  -4.681  0.421   1.00 63.79 4  A 1 
ATOM 24  C C   . ARG A 1 4  ? -6.498  -3.202  0.754   1.00 63.66 4  A 1 
ATOM 25  O O   . ARG A 1 4  ? -7.592  -2.663  0.543   1.00 62.27 4  A 1 
ATOM 26  C CB  . ARG A 1 4  ? -6.308  -5.545  1.686   1.00 62.93 4  A 1 
ATOM 27  C CG  . ARG A 1 4  ? -7.434  -5.208  2.641   1.00 57.13 4  A 1 
ATOM 28  C CD  . ARG A 1 4  ? -7.710  -6.337  3.615   1.00 55.14 4  A 1 
ATOM 29  N NE  . ARG A 1 4  ? -6.575  -6.618  4.497   1.00 52.02 4  A 1 
ATOM 30  C CZ  . ARG A 1 4  ? -6.666  -7.272  5.652   1.00 47.29 4  A 1 
ATOM 31  N NH1 . ARG A 1 4  ? -7.839  -7.710  6.083   1.00 44.02 4  A 1 
ATOM 32  N NH2 . ARG A 1 4  ? -5.584  -7.490  6.382   1.00 42.13 4  A 1 
ATOM 33  N N   . CYS A 1 5  ? -5.482  -2.523  1.254   1.00 60.04 5  A 1 
ATOM 34  C CA  . CYS A 1 5  ? -5.643  -1.116  1.614   1.00 60.53 5  A 1 
ATOM 35  C C   . CYS A 1 5  ? -5.764  -0.216  0.384   1.00 60.48 5  A 1 
ATOM 36  O O   . CYS A 1 5  ? -6.468  0.793   0.428   1.00 59.82 5  A 1 
ATOM 37  C CB  . CYS A 1 5  ? -4.503  -0.661  2.536   1.00 60.74 5  A 1 
ATOM 38  S SG  . CYS A 1 5  ? -2.950  -0.199  1.738   1.00 55.94 5  A 1 
ATOM 39  N N   . PHE A 1 6  ? -5.125  -0.580  -0.730  1.00 61.56 6  A 1 
ATOM 40  C CA  . PHE A 1 6  ? -5.286  0.174   -1.970  1.00 61.40 6  A 1 
ATOM 41  C C   . PHE A 1 6  ? -6.748  0.192   -2.417  1.00 61.42 6  A 1 
ATOM 42  O O   . PHE A 1 6  ? -7.257  1.234   -2.843  1.00 60.91 6  A 1 
ATOM 43  C CB  . PHE A 1 6  ? -4.387  -0.412  -3.067  1.00 61.28 6  A 1 
ATOM 44  C CG  . PHE A 1 6  ? -4.517  0.289   -4.399  1.00 59.20 6  A 1 
ATOM 45  C CD1 . PHE A 1 6  ? -5.435  -0.154  -5.347  1.00 56.13 6  A 1 
ATOM 46  C CD2 . PHE A 1 6  ? -3.722  1.389   -4.699  1.00 56.30 6  A 1 
ATOM 47  C CE1 . PHE A 1 6  ? -5.557  0.497   -6.577  1.00 53.22 6  A 1 
ATOM 48  C CE2 . PHE A 1 6  ? -3.840  2.040   -5.925  1.00 53.00 6  A 1 
ATOM 49  C CZ  . PHE A 1 6  ? -4.759  1.593   -6.861  1.00 52.62 6  A 1 
ATOM 50  N N   . ARG A 1 7  ? -7.445  -0.926  -2.305  1.00 67.72 7  A 1 
ATOM 51  C CA  . ARG A 1 7  ? -8.851  -0.983  -2.704  1.00 67.53 7  A 1 
ATOM 52  C C   . ARG A 1 7  ? -9.714  -0.041  -1.865  1.00 66.02 7  A 1 
ATOM 53  O O   . ARG A 1 7  ? -10.614 0.618   -2.394  1.00 64.94 7  A 1 
ATOM 54  C CB  . ARG A 1 7  ? -9.368  -2.419  -2.598  1.00 68.07 7  A 1 
ATOM 55  C CG  . ARG A 1 7  ? -8.745  -3.354  -3.620  1.00 63.25 7  A 1 
ATOM 56  C CD  . ARG A 1 7  ? -9.210  -4.786  -3.432  1.00 62.29 7  A 1 
ATOM 57  N NE  . ARG A 1 7  ? -8.384  -5.719  -4.203  1.00 59.26 7  A 1 
ATOM 58  C CZ  . ARG A 1 7  ? -8.816  -6.859  -4.723  1.00 54.49 7  A 1 
ATOM 59  N NH1 . ARG A 1 7  ? -10.078 -7.229  -4.568  1.00 51.18 7  A 1 
ATOM 60  N NH2 . ARG A 1 7  ? -7.982  -7.640  -5.401  1.00 49.00 7  A 1 
ATOM 61  N N   . ASP A 1 8  ? -9.434  0.041   -0.566  1.00 63.72 8  A 1 
ATOM 62  C CA  . ASP A 1 8  ? -10.203 0.911   0.322   1.00 63.66 8  A 1 
ATOM 63  C C   . ASP A 1 8  ? -9.881  2.394   0.126   1.00 64.54 8  A 1 
ATOM 64  O O   . ASP A 1 8  ? -10.786 3.234   0.156   1.00 63.10 8  A 1 
ATOM 65  C CB  . ASP A 1 8  ? -9.961  0.511   1.780   1.00 62.43 8  A 1 
ATOM 66  C CG  . ASP A 1 8  ? -10.693 -0.760  2.173   1.00 57.45 8  A 1 
ATOM 67  O OD1 . ASP A 1 8  ? -10.218 -1.458  3.093   1.00 54.75 8  A 1 
ATOM 68  O OD2 . ASP A 1 8  ? -11.750 -1.064  1.571   1.00 54.71 8  A 1 
ATOM 69  N N   . PHE A 1 9  ? -8.610  2.734   -0.102  1.00 61.27 9  A 1 
ATOM 70  C CA  . PHE A 1 9  ? -8.199  4.132   -0.168  1.00 60.64 9  A 1 
ATOM 71  C C   . PHE A 1 9  ? -8.262  4.735   -1.569  1.00 61.63 9  A 1 
ATOM 72  O O   . PHE A 1 9  ? -8.501  5.939   -1.699  1.00 59.88 9  A 1 
ATOM 73  C CB  . PHE A 1 9  ? -6.775  4.282   0.385   1.00 59.16 9  A 1 
ATOM 74  C CG  . PHE A 1 9  ? -6.725  4.674   1.837   1.00 57.31 9  A 1 
ATOM 75  C CD1 . PHE A 1 9  ? -6.654  6.014   2.202   1.00 53.02 9  A 1 
ATOM 76  C CD2 . PHE A 1 9  ? -6.760  3.711   2.832   1.00 54.56 9  A 1 
ATOM 77  C CE1 . PHE A 1 9  ? -6.619  6.386   3.534   1.00 49.83 9  A 1 
ATOM 78  C CE2 . PHE A 1 9  ? -6.729  4.073   4.173   1.00 50.46 9  A 1 
ATOM 79  C CZ  . PHE A 1 9  ? -6.656  5.414   4.524   1.00 49.32 9  A 1 
ATOM 80  N N   . CYS A 1 10 ? -8.039  3.931   -2.626  1.00 62.80 10 A 1 
ATOM 81  C CA  . CYS A 1 10 ? -7.751  4.471   -3.947  1.00 63.08 10 A 1 
ATOM 82  C C   . CYS A 1 10 ? -8.708  4.072   -5.060  1.00 63.61 10 A 1 
ATOM 83  O O   . CYS A 1 10 ? -8.892  4.860   -5.989  1.00 61.37 10 A 1 
ATOM 84  C CB  . CYS A 1 10 ? -6.329  4.085   -4.360  1.00 61.39 10 A 1 
ATOM 85  S SG  . CYS A 1 10 ? -5.067  4.912   -3.367  1.00 57.46 10 A 1 
ATOM 86  N N   . ARG A 1 11 ? -9.307  2.898   -5.018  1.00 65.31 11 A 1 
ATOM 87  C CA  . ARG A 1 11 ? -10.100 2.451   -6.164  1.00 66.42 11 A 1 
ATOM 88  C C   . ARG A 1 11 ? -11.309 3.345   -6.428  1.00 65.55 11 A 1 
ATOM 89  O O   . ARG A 1 11 ? -11.823 3.358   -7.551  1.00 65.17 11 A 1 
ATOM 90  C CB  . ARG A 1 11 ? -10.540 0.993   -6.009  1.00 65.90 11 A 1 
ATOM 91  C CG  . ARG A 1 11 ? -9.444  0.002   -6.386  1.00 59.89 11 A 1 
ATOM 92  C CD  . ARG A 1 11 ? -9.946  -1.436  -6.314  1.00 58.55 11 A 1 
ATOM 93  N NE  . ARG A 1 11 ? -10.759 -1.796  -7.475  1.00 56.05 11 A 1 
ATOM 94  C CZ  . ARG A 1 11 ? -11.544 -2.868  -7.533  1.00 51.83 11 A 1 
ATOM 95  N NH1 . ARG A 1 11 ? -11.642 -3.687  -6.497  1.00 47.99 11 A 1 
ATOM 96  N NH2 . ARG A 1 11 ? -12.241 -3.124  -8.627  1.00 45.48 11 A 1 
ATOM 97  N N   . PHE A 1 12 ? -11.758 4.104   -5.427  1.00 67.27 12 A 1 
ATOM 98  C CA  . PHE A 1 12 ? -12.891 5.014   -5.576  1.00 66.83 12 A 1 
ATOM 99  C C   . PHE A 1 12 ? -12.475 6.471   -5.778  1.00 66.28 12 A 1 
ATOM 100 O O   . PHE A 1 12 ? -13.343 7.337   -5.905  1.00 64.76 12 A 1 
ATOM 101 C CB  . PHE A 1 12 ? -13.818 4.882   -4.367  1.00 68.06 12 A 1 
ATOM 102 C CG  . PHE A 1 12 ? -14.379 3.488   -4.205  1.00 65.58 12 A 1 
ATOM 103 C CD1 . PHE A 1 12 ? -15.455 3.064   -4.977  1.00 61.88 12 A 1 
ATOM 104 C CD2 . PHE A 1 12 ? -13.820 2.599   -3.300  1.00 63.66 12 A 1 
ATOM 105 C CE1 . PHE A 1 12 ? -15.965 1.778   -4.840  1.00 59.84 12 A 1 
ATOM 106 C CE2 . PHE A 1 12 ? -14.325 1.311   -3.162  1.00 59.85 12 A 1 
ATOM 107 C CZ  . PHE A 1 12 ? -15.400 0.903   -3.929  1.00 59.45 12 A 1 
ATOM 108 N N   . ASP A 1 13 ? -11.167 6.762   -5.830  1.00 66.38 13 A 1 
ATOM 109 C CA  . ASP A 1 13 ? -10.643 8.109   -6.044  1.00 66.00 13 A 1 
ATOM 110 C C   . ASP A 1 13 ? -9.817  8.114   -7.331  1.00 66.61 13 A 1 
ATOM 111 O O   . ASP A 1 13 ? -8.757  7.488   -7.395  1.00 64.14 13 A 1 
ATOM 112 C CB  . ASP A 1 13 ? -9.799  8.551   -4.839  1.00 63.03 13 A 1 
ATOM 113 C CG  . ASP A 1 13 ? -9.295  9.987   -4.943  1.00 57.20 13 A 1 
ATOM 114 O OD1 . ASP A 1 13 ? -9.582  10.665  -5.953  1.00 54.56 13 A 1 
ATOM 115 O OD2 . ASP A 1 13 ? -8.608  10.437  -3.999  1.00 53.82 13 A 1 
ATOM 116 N N   . ARG A 1 14 ? -10.304 8.838   -8.348  1.00 63.83 14 A 1 
ATOM 117 C CA  . ARG A 1 14 ? -9.630  8.870   -9.647  1.00 64.67 14 A 1 
ATOM 118 C C   . ARG A 1 14 ? -8.207  9.418   -9.531  1.00 63.65 14 A 1 
ATOM 119 O O   . ARG A 1 14 ? -7.294  8.921   -10.201 1.00 63.40 14 A 1 
ATOM 120 C CB  . ARG A 1 14 ? -10.450 9.713   -10.633 1.00 65.55 14 A 1 
ATOM 121 C CG  . ARG A 1 14 ? -9.932  9.669   -12.066 1.00 60.19 14 A 1 
ATOM 122 C CD  . ARG A 1 14 ? -10.277 8.362   -12.765 1.00 58.46 14 A 1 
ATOM 123 N NE  . ARG A 1 14 ? -11.722 8.125   -12.783 1.00 55.45 14 A 1 
ATOM 124 C CZ  . ARG A 1 14 ? -12.326 7.251   -13.576 1.00 49.63 14 A 1 
ATOM 125 N NH1 . ARG A 1 14 ? -11.626 6.518   -14.430 1.00 45.97 14 A 1 
ATOM 126 N NH2 . ARG A 1 14 ? -13.638 7.108   -13.519 1.00 44.19 14 A 1 
ATOM 127 N N   . PHE A 1 15 ? -7.995  10.424  -8.677  1.00 61.30 15 A 1 
ATOM 128 C CA  . PHE A 1 15 ? -6.667  11.002  -8.488  1.00 61.47 15 A 1 
ATOM 129 C C   . PHE A 1 15 ? -5.671  9.948   -8.013  1.00 62.76 15 A 1 
ATOM 130 O O   . PHE A 1 15 ? -4.571  9.833   -8.565  1.00 61.80 15 A 1 
ATOM 131 C CB  . PHE A 1 15 ? -6.735  12.174  -7.505  1.00 62.20 15 A 1 
ATOM 132 C CG  . PHE A 1 15 ? -5.389  12.798  -7.222  1.00 58.43 15 A 1 
ATOM 133 C CD1 . PHE A 1 15 ? -4.615  12.369  -6.149  1.00 53.85 15 A 1 
ATOM 134 C CD2 . PHE A 1 15 ? -4.892  13.809  -8.037  1.00 55.96 15 A 1 
ATOM 135 C CE1 . PHE A 1 15 ? -3.368  12.941  -5.894  1.00 51.43 15 A 1 
ATOM 136 C CE2 . PHE A 1 15 ? -3.648  14.383  -7.781  1.00 51.93 15 A 1 
ATOM 137 C CZ  . PHE A 1 15 ? -2.891  13.948  -6.712  1.00 50.65 15 A 1 
ATOM 138 N N   . CYS A 1 16 ? -6.036  9.174   -7.014  1.00 62.70 16 A 1 
ATOM 139 C CA  . CYS A 1 16 ? -5.151  8.125   -6.511  1.00 63.97 16 A 1 
ATOM 140 C C   . CYS A 1 16 ? -4.831  7.094   -7.589  1.00 64.42 16 A 1 
ATOM 141 O O   . CYS A 1 16 ? -3.671  6.713   -7.761  1.00 61.14 16 A 1 
ATOM 142 C CB  . CYS A 1 16 ? -5.761  7.442   -5.288  1.00 62.13 16 A 1 
ATOM 143 S SG  . CYS A 1 16 ? -4.816  5.970   -4.783  1.00 55.76 16 A 1 
ATOM 144 N N   . ARG A 1 17 ? -5.847  6.642   -8.323  1.00 64.00 17 A 1 
ATOM 145 C CA  . ARG A 1 17 ? -5.618  5.609   -9.329  1.00 63.24 17 A 1 
ATOM 146 C C   . ARG A 1 17 ? -4.715  6.096   -10.456 1.00 62.62 17 A 1 
ATOM 147 O O   . ARG A 1 17 ? -3.986  5.288   -11.042 1.00 61.87 17 A 1 
ATOM 148 C CB  . ARG A 1 17 ? -6.946  5.097   -9.894  1.00 62.40 17 A 1 
ATOM 149 C CG  . ARG A 1 17 ? -7.770  4.341   -8.857  1.00 57.03 17 A 1 
ATOM 150 C CD  . ARG A 1 17 ? -8.935  3.609   -9.502  1.00 56.03 17 A 1 
ATOM 151 N NE  . ARG A 1 17 ? -8.486  2.416   -10.222 1.00 52.86 17 A 1 
ATOM 152 C CZ  . ARG A 1 17 ? -9.225  1.749   -11.106 1.00 48.46 17 A 1 
ATOM 153 N NH1 . ARG A 1 17 ? -10.455 2.155   -11.387 1.00 45.16 17 A 1 
ATOM 154 N NH2 . ARG A 1 17 ? -8.736  0.678   -11.708 1.00 43.55 17 A 1 
ATOM 155 N N   . ASP A 1 18 ? -4.730  7.393   -10.749 1.00 62.56 18 A 1 
ATOM 156 C CA  . ASP A 1 18 ? -3.887  7.940   -11.806 1.00 63.29 18 A 1 
ATOM 157 C C   . ASP A 1 18 ? -2.450  8.200   -11.352 1.00 64.63 18 A 1 
ATOM 158 O O   . ASP A 1 18 ? -1.544  8.206   -12.190 1.00 64.44 18 A 1 
ATOM 159 C CB  . ASP A 1 18 ? -4.491  9.239   -12.347 1.00 63.67 18 A 1 
ATOM 160 C CG  . ASP A 1 18 ? -5.760  9.003   -13.157 1.00 58.95 18 A 1 
ATOM 161 O OD1 . ASP A 1 18 ? -5.988  7.867   -13.633 1.00 57.02 18 A 1 
ATOM 162 O OD2 . ASP A 1 18 ? -6.527  9.968   -13.330 1.00 56.59 18 A 1 
ATOM 163 N N   . PHE A 1 19 ? -2.221  8.416   -10.054 1.00 58.06 19 A 1 
ATOM 164 C CA  . PHE A 1 19 ? -0.914  8.850   -9.559  1.00 58.10 19 A 1 
ATOM 165 C C   . PHE A 1 19 ? -0.227  7.877   -8.604  1.00 59.60 19 A 1 
ATOM 166 O O   . PHE A 1 19 ? 0.861   8.192   -8.109  1.00 58.25 19 A 1 
ATOM 167 C CB  . PHE A 1 19 ? -1.042  10.225  -8.894  1.00 56.84 19 A 1 
ATOM 168 C CG  . PHE A 1 19 ? -1.243  11.349  -9.883  1.00 53.82 19 A 1 
ATOM 169 C CD1 . PHE A 1 19 ? -0.149  11.978  -10.470 1.00 49.24 19 A 1 
ATOM 170 C CD2 . PHE A 1 19 ? -2.520  11.761  -10.229 1.00 51.58 19 A 1 
ATOM 171 C CE1 . PHE A 1 19 ? -0.335  13.004  -11.387 1.00 46.18 19 A 1 
ATOM 172 C CE2 . PHE A 1 19 ? -2.710  12.785  -11.150 1.00 47.16 19 A 1 
ATOM 173 C CZ  . PHE A 1 19 ? -1.617  13.409  -11.725 1.00 46.22 19 A 1 
ATOM 174 N N   . CYS A 1 20 ? -0.810  6.723   -8.331  1.00 59.20 20 A 1 
ATOM 175 C CA  . CYS A 1 20 ? -0.220  5.752   -7.410  1.00 59.65 20 A 1 
ATOM 176 C C   . CYS A 1 20 ? -0.213  4.345   -7.996  1.00 59.32 20 A 1 
ATOM 177 O O   . CYS A 1 20 ? -1.131  3.954   -8.709  1.00 57.83 20 A 1 
ATOM 178 C CB  . CYS A 1 20 ? -0.967  5.737   -6.073  1.00 59.77 20 A 1 
ATOM 179 S SG  . CYS A 1 20 ? -1.145  7.366   -5.315  1.00 56.63 20 A 1 
ATOM 180 N N   . ASP A 1 21 ? 0.828   3.589   -7.693  1.00 64.08 21 A 1 
ATOM 181 C CA  . ASP A 1 21 ? 0.907   2.172   -8.018  1.00 63.85 21 A 1 
ATOM 182 C C   . ASP A 1 21 ? 1.584   1.427   -6.875  1.00 63.28 21 A 1 
ATOM 183 O O   . ASP A 1 21 ? 2.239   2.033   -6.020  1.00 62.55 21 A 1 
ATOM 184 C CB  . ASP A 1 21 ? 1.639   1.933   -9.349  1.00 63.89 21 A 1 
ATOM 185 C CG  . ASP A 1 21 ? 3.099   2.354   -9.313  1.00 59.71 21 A 1 
ATOM 186 O OD1 . ASP A 1 21 ? 3.383   3.519   -9.653  1.00 57.72 21 A 1 
ATOM 187 O OD2 . ASP A 1 21 ? 3.966   1.518   -8.981  1.00 57.22 21 A 1 
ATOM 188 N N   . PHE A 1 22 ? 1.407   0.118   -6.846  1.00 59.55 22 A 1 
ATOM 189 C CA  . PHE A 1 22 ? 1.992   -0.705  -5.799  1.00 58.25 22 A 1 
ATOM 190 C C   . PHE A 1 22 ? 2.312   -2.096  -6.327  1.00 57.70 22 A 1 
ATOM 191 O O   . PHE A 1 22 ? 1.782   -2.534  -7.352  1.00 56.66 22 A 1 
ATOM 192 C CB  . PHE A 1 22 ? 1.062   -0.800  -4.584  1.00 57.29 22 A 1 
ATOM 193 C CG  . PHE A 1 22 ? -0.215  -1.558  -4.844  1.00 55.29 22 A 1 
ATOM 194 C CD1 . PHE A 1 22 ? -0.299  -2.924  -4.585  1.00 52.13 22 A 1 
ATOM 195 C CD2 . PHE A 1 22 ? -1.332  -0.912  -5.351  1.00 53.20 22 A 1 
ATOM 196 C CE1 . PHE A 1 22 ? -1.470  -3.624  -4.829  1.00 49.15 22 A 1 
ATOM 197 C CE2 . PHE A 1 22 ? -2.508  -1.610  -5.601  1.00 48.80 22 A 1 
ATOM 198 C CZ  . PHE A 1 22 ? -2.571  -2.963  -5.336  1.00 47.50 22 A 1 
ATOM 199 N N   . ARG A 1 23 ? 3.195   -2.791  -5.607  1.00 60.30 23 A 1 
ATOM 200 C CA  . ARG A 1 23 ? 3.554   -4.186  -5.859  1.00 59.24 23 A 1 
ATOM 201 C C   . ARG A 1 23 ? 3.560   -4.895  -4.508  1.00 58.77 23 A 1 
ATOM 202 O O   . ARG A 1 23 ? 4.285   -4.483  -3.602  1.00 56.85 23 A 1 
ATOM 203 C CB  . ARG A 1 23 ? 4.932   -4.252  -6.526  1.00 56.94 23 A 1 
ATOM 204 C CG  . ARG A 1 23 ? 5.393   -5.644  -6.895  1.00 51.57 23 A 1 
ATOM 205 C CD  . ARG A 1 23 ? 6.843   -5.632  -7.379  1.00 49.36 23 A 1 
ATOM 206 N NE  . ARG A 1 23 ? 7.042   -4.779  -8.547  1.00 46.40 23 A 1 
ATOM 207 C CZ  . ARG A 1 23 ? 7.880   -3.744  -8.609  1.00 42.48 23 A 1 
ATOM 208 N NH1 . ARG A 1 23 ? 8.627   -3.408  -7.562  1.00 38.62 23 A 1 
ATOM 209 N NH2 . ARG A 1 23 ? 7.977   -3.043  -9.726  1.00 38.10 23 A 1 
ATOM 210 N N   . CYS A 1 24 ? 2.740   -5.936  -4.358  1.00 60.37 24 A 1 
ATOM 211 C CA  . CYS A 1 24 ? 2.542   -6.538  -3.038  1.00 59.64 24 A 1 
ATOM 212 C C   . CYS A 1 24 ? 2.139   -8.005  -3.149  1.00 58.90 24 A 1 
ATOM 213 O O   . CYS A 1 24 ? 1.324   -8.368  -3.991  1.00 56.22 24 A 1 
ATOM 214 C CB  . CYS A 1 24 ? 1.479   -5.757  -2.257  1.00 58.30 24 A 1 
ATOM 215 S SG  . CYS A 1 24 ? 1.231   -6.296  -0.554  1.00 53.26 24 A 1 
ATOM 216 N N   . ASP A 1 25 ? 2.709   -8.838  -2.272  1.00 59.48 25 A 1 
ATOM 217 C CA  . ASP A 1 25 ? 2.355   -10.260 -2.185  1.00 59.12 25 A 1 
ATOM 218 C C   . ASP A 1 25 ? 1.115   -10.516 -1.326  1.00 58.16 25 A 1 
ATOM 219 O O   . ASP A 1 25 ? 0.376   -11.468 -1.571  1.00 56.27 25 A 1 
ATOM 220 C CB  . ASP A 1 25 ? 3.547   -11.042 -1.624  1.00 57.53 25 A 1 
ATOM 221 C CG  . ASP A 1 25 ? 3.435   -12.531 -1.892  1.00 53.07 25 A 1 
ATOM 222 O OD1 . ASP A 1 25 ? 3.706   -12.939 -3.040  1.00 50.30 25 A 1 
ATOM 223 O OD2 . ASP A 1 25 ? 3.086   -13.295 -0.967  1.00 49.94 25 A 1 
ATOM 224 N N   . ARG A 1 26 ? 0.878   -9.717  -0.338  1.00 56.25 26 A 1 
ATOM 225 C CA  . ARG A 1 26 ? -0.217  -9.944  0.625   1.00 55.79 26 A 1 
ATOM 226 C C   . ARG A 1 26 ? -0.920  -8.666  1.053   1.00 52.53 26 A 1 
ATOM 227 O O   . ARG A 1 26 ? -2.150  -8.574  0.906   1.00 49.05 26 A 1 
ATOM 228 C CB  . ARG A 1 26 ? 0.342   -10.680 1.855   1.00 53.28 26 A 1 
ATOM 229 C CG  . ARG A 1 26 ? -0.369  -11.955 2.210   1.00 48.59 26 A 1 
ATOM 230 C CD  . ARG A 1 26 ? 0.560   -13.159 2.204   1.00 45.70 26 A 1 
ATOM 231 N NE  . ARG A 1 26 ? 0.510   -13.841 0.923   1.00 44.58 26 A 1 
ATOM 232 C CZ  . ARG A 1 26 ? 1.137   -14.986 0.643   1.00 41.39 26 A 1 
ATOM 233 N NH1 . ARG A 1 26 ? 1.853   -15.606 1.565   1.00 41.63 26 A 1 
ATOM 234 N NH2 . ARG A 1 26 ? 1.038   -15.506 -0.559  1.00 38.61 26 A 1 
ATOM 235 O OXT . ARG A 1 26 ? -0.292  -7.816  1.549   1.00 46.15 26 A 1 
ATOM 236 N N   . CYS B 2 1  ? -2.189  8.886   -1.668  1.00 58.56 1  B 1 
ATOM 237 C CA  . CYS B 2 1  ? -3.125  8.002   -0.997  1.00 58.34 1  B 1 
ATOM 238 C C   . CYS B 2 1  ? -2.520  6.735   -0.404  1.00 58.48 1  B 1 
ATOM 239 O O   . CYS B 2 1  ? -2.794  6.403   0.750   1.00 55.66 1  B 1 
ATOM 240 C CB  . CYS B 2 1  ? -4.204  7.628   -2.002  1.00 56.41 1  B 1 
ATOM 241 S SG  . CYS B 2 1  ? -3.453  6.965   -3.512  1.00 50.87 1  B 1 
ATOM 242 N N   . VAL B 2 2  ? -1.698  6.031   -1.174  1.00 61.98 2  B 1 
ATOM 243 C CA  . VAL B 2 2  ? -1.228  4.712   -0.758  1.00 62.45 2  B 1 
ATOM 244 C C   . VAL B 2 2  ? -0.232  4.823   0.394   1.00 63.56 2  B 1 
ATOM 245 O O   . VAL B 2 2  ? -0.149  3.925   1.233   1.00 62.47 2  B 1 
ATOM 246 C CB  . VAL B 2 2  ? -0.622  3.943   -1.957  1.00 61.31 2  B 1 
ATOM 247 C CG1 . VAL B 2 2  ? -0.051  2.598   -1.520  1.00 55.08 2  B 1 
ATOM 248 C CG2 . VAL B 2 2  ? -1.679  3.718   -3.038  1.00 54.69 2  B 1 
ATOM 249 N N   . ASP B 2 3  ? 0.498   5.923   0.464   1.00 65.46 3  B 1 
ATOM 250 C CA  . ASP B 2 3  ? 1.485   6.137   1.522   1.00 66.21 3  B 1 
ATOM 251 C C   . ASP B 2 3  ? 0.859   5.990   2.913   1.00 65.62 3  B 1 
ATOM 252 O O   . ASP B 2 3  ? 1.410   5.307   3.784   1.00 65.17 3  B 1 
ATOM 253 C CB  . ASP B 2 3  ? 2.125   7.524   1.348   1.00 66.32 3  B 1 
ATOM 254 C CG  . ASP B 2 3  ? 3.160   7.833   2.409   1.00 61.27 3  B 1 
ATOM 255 O OD1 . ASP B 2 3  ? 2.773   8.359   3.470   1.00 58.37 3  B 1 
ATOM 256 O OD2 . ASP B 2 3  ? 4.356   7.572   2.177   1.00 58.56 3  B 1 
ATOM 257 N N   . ARG B 2 4  ? -0.306  6.588   3.132   1.00 65.21 4  B 1 
ATOM 258 C CA  . ARG B 2 4  ? -0.978  6.554   4.433   1.00 64.56 4  B 1 
ATOM 259 C C   . ARG B 2 4  ? -1.439  5.141   4.806   1.00 64.33 4  B 1 
ATOM 260 O O   . ARG B 2 4  ? -1.222  4.691   5.937   1.00 63.11 4  B 1 
ATOM 261 C CB  . ARG B 2 4  ? -2.148  7.542   4.422   1.00 64.16 4  B 1 
ATOM 262 C CG  . ARG B 2 4  ? -3.067  7.413   5.621   1.00 58.23 4  B 1 
ATOM 263 C CD  . ARG B 2 4  ? -3.915  8.647   5.824   1.00 56.51 4  B 1 
ATOM 264 N NE  . ARG B 2 4  ? -4.846  8.885   4.719   1.00 53.29 4  B 1 
ATOM 265 C CZ  . ARG B 2 4  ? -5.930  9.652   4.802   1.00 48.43 4  B 1 
ATOM 266 N NH1 . ARG B 2 4  ? -6.235  10.256  5.938   1.00 45.26 4  B 1 
ATOM 267 N NH2 . ARG B 2 4  ? -6.712  9.815   3.748   1.00 42.98 4  B 1 
ATOM 268 N N   . CYS B 2 5  ? -2.052  4.429   3.882   1.00 60.98 5  B 1 
ATOM 269 C CA  . CYS B 2 5  ? -2.531  3.084   4.201   1.00 61.45 5  B 1 
ATOM 270 C C   . CYS B 2 5  ? -1.387  2.083   4.361   1.00 61.19 5  B 1 
ATOM 271 O O   . CYS B 2 5  ? -1.491  1.158   5.168   1.00 60.50 5  B 1 
ATOM 272 C CB  . CYS B 2 5  ? -3.547  2.610   3.151   1.00 61.79 5  B 1 
ATOM 273 S SG  . CYS B 2 5  ? -2.864  1.930   1.628   1.00 57.08 5  B 1 
ATOM 274 N N   . PHE B 2 6  ? -0.281  2.279   3.636   1.00 62.83 6  B 1 
ATOM 275 C CA  . PHE B 2 6  ? 0.894   1.433   3.821   1.00 62.52 6  B 1 
ATOM 276 C C   . PHE B 2 6  ? 1.418   1.526   5.256   1.00 62.51 6  B 1 
ATOM 277 O O   . PHE B 2 6  ? 1.782   0.504   5.852   1.00 62.12 6  B 1 
ATOM 278 C CB  . PHE B 2 6  ? 1.989   1.813   2.817   1.00 62.35 6  B 1 
ATOM 279 C CG  . PHE B 2 6  ? 3.257   1.006   2.960   1.00 59.87 6  B 1 
ATOM 280 C CD1 . PHE B 2 6  ? 4.290   1.443   3.785   1.00 56.85 6  B 1 
ATOM 281 C CD2 . PHE B 2 6  ? 3.414   -0.198  2.275   1.00 56.92 6  B 1 
ATOM 282 C CE1 . PHE B 2 6  ? 5.460   0.693   3.920   1.00 53.68 6  B 1 
ATOM 283 C CE2 . PHE B 2 6  ? 4.578   -0.947  2.408   1.00 53.35 6  B 1 
ATOM 284 C CZ  . PHE B 2 6  ? 5.603   -0.501  3.231   1.00 53.20 6  B 1 
ATOM 285 N N   . ARG B 2 7  ? 1.439   2.722   5.832   1.00 67.82 7  B 1 
ATOM 286 C CA  . ARG B 2 7  ? 1.912   2.886   7.208   1.00 67.31 7  B 1 
ATOM 287 C C   . ARG B 2 7  ? 1.042   2.122   8.203   1.00 65.79 7  B 1 
ATOM 288 O O   . ARG B 2 7  ? 1.559   1.517   9.148   1.00 64.89 7  B 1 
ATOM 289 C CB  . ARG B 2 7  ? 1.964   4.373   7.572   1.00 67.86 7  B 1 
ATOM 290 C CG  . ARG B 2 7  ? 3.041   5.135   6.823   1.00 63.27 7  B 1 
ATOM 291 C CD  . ARG B 2 7  ? 2.990   6.619   7.129   1.00 62.31 7  B 1 
ATOM 292 N NE  . ARG B 2 7  ? 3.795   7.391   6.179   1.00 59.24 7  B 1 
ATOM 293 C CZ  . ARG B 2 7  ? 4.431   8.521   6.462   1.00 54.54 7  B 1 
ATOM 294 N NH1 . ARG B 2 7  ? 4.373   9.030   7.683   1.00 50.86 7  B 1 
ATOM 295 N NH2 . ARG B 2 7  ? 5.125   9.149   5.523   1.00 48.90 7  B 1 
ATOM 296 N N   . ASP B 2 8  ? -0.269  2.132   7.986   1.00 64.05 8  B 1 
ATOM 297 C CA  . ASP B 2 8  ? -1.186  1.428   8.883   1.00 63.85 8  B 1 
ATOM 298 C C   . ASP B 2 8  ? -1.124  -0.094  8.724   1.00 64.76 8  B 1 
ATOM 299 O O   . ASP B 2 8  ? -1.184  -0.823  9.718   1.00 63.34 8  B 1 
ATOM 300 C CB  . ASP B 2 8  ? -2.617  1.920   8.656   1.00 62.68 8  B 1 
ATOM 301 C CG  . ASP B 2 8  ? -2.868  3.294   9.258   1.00 57.57 8  B 1 
ATOM 302 O OD1 . ASP B 2 8  ? -3.755  4.010   8.748   1.00 55.05 8  B 1 
ATOM 303 O OD2 . ASP B 2 8  ? -2.186  3.658   10.244  1.00 54.91 8  B 1 
ATOM 304 N N   . PHE B 2 9  ? -0.984  -0.577  7.487   1.00 61.69 9  B 1 
ATOM 305 C CA  . PHE B 2 9  ? -1.038  -2.014  7.234   1.00 60.85 9  B 1 
ATOM 306 C C   . PHE B 2 9  ? 0.311   -2.716  7.326   1.00 61.80 9  B 1 
ATOM 307 O O   . PHE B 2 9  ? 0.359   -3.894  7.699   1.00 60.16 9  B 1 
ATOM 308 C CB  . PHE B 2 9  ? -1.653  -2.272  5.854   1.00 59.42 9  B 1 
ATOM 309 C CG  . PHE B 2 9  ? -3.124  -2.576  5.890   1.00 57.66 9  B 1 
ATOM 310 C CD1 . PHE B 2 9  ? -3.570  -3.891  5.966   1.00 53.47 9  B 1 
ATOM 311 C CD2 . PHE B 2 9  ? -4.058  -1.553  5.862   1.00 54.75 9  B 1 
ATOM 312 C CE1 . PHE B 2 9  ? -4.922  -4.177  6.012   1.00 50.54 9  B 1 
ATOM 313 C CE2 . PHE B 2 9  ? -5.416  -1.831  5.912   1.00 50.88 9  B 1 
ATOM 314 C CZ  . PHE B 2 9  ? -5.849  -3.145  5.984   1.00 49.97 9  B 1 
ATOM 315 N N   . CYS B 2 10 ? 1.416   -2.028  6.976   1.00 63.17 10 B 1 
ATOM 316 C CA  . CYS B 2 10 ? 2.675   -2.706  6.703   1.00 63.33 10 B 1 
ATOM 317 C C   . CYS B 2 10 ? 3.865   -2.284  7.553   1.00 63.57 10 B 1 
ATOM 318 O O   . CYS B 2 10 ? 4.738   -3.118  7.799   1.00 61.58 10 B 1 
ATOM 319 C CB  . CYS B 2 10 ? 3.041   -2.532  5.228   1.00 61.88 10 B 1 
ATOM 320 S SG  . CYS B 2 10 ? 1.930   -3.436  4.130   1.00 57.66 10 B 1 
ATOM 321 N N   . ARG B 2 11 ? 3.948   -1.035  7.988   1.00 65.65 11 B 1 
ATOM 322 C CA  . ARG B 2 11 ? 5.176   -0.588  8.652   1.00 66.33 11 B 1 
ATOM 323 C C   . ARG B 2 11 ? 5.449   -1.335  9.953   1.00 65.15 11 B 1 
ATOM 324 O O   . ARG B 2 11 ? 6.603   -1.384  10.395  1.00 64.73 11 B 1 
ATOM 325 C CB  . ARG B 2 11 ? 5.161   0.926   8.900   1.00 66.01 11 B 1 
ATOM 326 C CG  . ARG B 2 11 ? 5.547   1.729   7.663   1.00 60.20 11 B 1 
ATOM 327 C CD  . ARG B 2 11 ? 5.645   3.216   7.980   1.00 58.95 11 B 1 
ATOM 328 N NE  . ARG B 2 11 ? 6.899   3.566   8.644   1.00 56.60 11 B 1 
ATOM 329 C CZ  . ARG B 2 11 ? 7.115   4.719   9.276   1.00 52.18 11 B 1 
ATOM 330 N NH1 . ARG B 2 11 ? 6.162   5.633   9.348   1.00 48.48 11 B 1 
ATOM 331 N NH2 . ARG B 2 11 ? 8.286   4.960   9.843   1.00 46.15 11 B 1 
ATOM 332 N N   . PHE B 2 12 ? 4.422   -1.929  10.560  1.00 66.38 12 B 1 
ATOM 333 C CA  . PHE B 2 12 ? 4.582   -2.689  11.798  1.00 65.78 12 B 1 
ATOM 334 C C   . PHE B 2 12 ? 4.636   -4.200  11.579  1.00 65.33 12 B 1 
ATOM 335 O O   . PHE B 2 12 ? 4.753   -4.952  12.551  1.00 64.09 12 B 1 
ATOM 336 C CB  . PHE B 2 12 ? 3.460   -2.325  12.772  1.00 66.79 12 B 1 
ATOM 337 C CG  . PHE B 2 12 ? 3.461   -0.861  13.145  1.00 64.34 12 B 1 
ATOM 338 C CD1 . PHE B 2 12 ? 4.354   -0.373  14.094  1.00 60.72 12 B 1 
ATOM 339 C CD2 . PHE B 2 12 ? 2.585   0.028   12.538  1.00 62.39 12 B 1 
ATOM 340 C CE1 . PHE B 2 12 ? 4.365   0.976   14.433  1.00 58.71 12 B 1 
ATOM 341 C CE2 . PHE B 2 12 ? 2.595   1.379   12.873  1.00 58.18 12 B 1 
ATOM 342 C CZ  . PHE B 2 12 ? 3.482   1.852   13.822  1.00 58.23 12 B 1 
ATOM 343 N N   . ASP B 2 13 ? 4.578   -4.660  10.321  1.00 66.03 13 B 1 
ATOM 344 C CA  . ASP B 2 13 ? 4.653   -6.078  9.975   1.00 65.49 13 B 1 
ATOM 345 C C   . ASP B 2 13 ? 5.888   -6.302  9.105   1.00 65.95 13 B 1 
ATOM 346 O O   . ASP B 2 13 ? 5.945   -5.830  7.966   1.00 63.64 13 B 1 
ATOM 347 C CB  . ASP B 2 13 ? 3.372   -6.520  9.253   1.00 62.65 13 B 1 
ATOM 348 C CG  . ASP B 2 13 ? 3.336   -8.014  8.945   1.00 56.93 13 B 1 
ATOM 349 O OD1 . ASP B 2 13 ? 4.306   -8.732  9.273   1.00 54.38 13 B 1 
ATOM 350 O OD2 . ASP B 2 13 ? 2.324   -8.469  8.369   1.00 53.85 13 B 1 
ATOM 351 N N   . ARG B 2 14 ? 6.868   -7.032  9.638   1.00 63.68 14 B 1 
ATOM 352 C CA  . ARG B 2 14 ? 8.126   -7.257  8.925   1.00 64.43 14 B 1 
ATOM 353 C C   . ARG B 2 14 ? 7.902   -7.976  7.593   1.00 63.38 14 B 1 
ATOM 354 O O   . ARG B 2 14 ? 8.561   -7.660  6.599   1.00 63.31 14 B 1 
ATOM 355 C CB  . ARG B 2 14 ? 9.087   -8.056  9.810   1.00 65.37 14 B 1 
ATOM 356 C CG  . ARG B 2 14 ? 10.496  -8.191  9.243   1.00 60.10 14 B 1 
ATOM 357 C CD  . ARG B 2 14 ? 11.294  -6.896  9.370   1.00 58.69 14 B 1 
ATOM 358 N NE  . ARG B 2 14 ? 11.396  -6.443  10.758  1.00 55.54 14 B 1 
ATOM 359 C CZ  . ARG B 2 14 ? 12.256  -5.529  11.193  1.00 49.53 14 B 1 
ATOM 360 N NH1 . ARG B 2 14 ? 13.101  -4.947  10.348  1.00 45.80 14 B 1 
ATOM 361 N NH2 . ARG B 2 14 ? 12.270  -5.193  12.471  1.00 44.12 14 B 1 
ATOM 362 N N   . PHE B 2 15 ? 6.968   -8.924  7.546   1.00 61.96 15 B 1 
ATOM 363 C CA  . PHE B 2 15 ? 6.675   -9.653  6.316   1.00 61.89 15 B 1 
ATOM 364 C C   . PHE B 2 15 ? 6.223   -8.703  5.209   1.00 62.98 15 B 1 
ATOM 365 O O   . PHE B 2 15 ? 6.730   -8.769  4.082   1.00 62.19 15 B 1 
ATOM 366 C CB  . PHE B 2 15 ? 5.613   -10.726 6.574   1.00 62.99 15 B 1 
ATOM 367 C CG  . PHE B 2 15 ? 5.221   -11.490 5.333   1.00 59.21 15 B 1 
ATOM 368 C CD1 . PHE B 2 15 ? 4.150   -11.075 4.550   1.00 54.83 15 B 1 
ATOM 369 C CD2 . PHE B 2 15 ? 5.932   -12.621 4.942   1.00 57.20 15 B 1 
ATOM 370 C CE1 . PHE B 2 15 ? 3.796   -11.775 3.398   1.00 52.56 15 B 1 
ATOM 371 C CE2 . PHE B 2 15 ? 5.578   -13.322 3.795   1.00 53.49 15 B 1 
ATOM 372 C CZ  . PHE B 2 15 ? 4.511   -12.900 3.026   1.00 52.36 15 B 1 
ATOM 373 N N   . CYS B 2 16 ? 5.298   -7.805  5.507   1.00 61.89 16 B 1 
ATOM 374 C CA  . CYS B 2 16 ? 4.829   -6.841  4.515   1.00 62.73 16 B 1 
ATOM 375 C C   . CYS B 2 16 ? 5.963   -5.948  4.022   1.00 63.18 16 B 1 
ATOM 376 O O   . CYS B 2 16 ? 6.103   -5.728  2.815   1.00 60.20 16 B 1 
ATOM 377 C CB  . CYS B 2 16 ? 3.690   -5.993  5.075   1.00 60.90 16 B 1 
ATOM 378 S SG  . CYS B 2 16 ? 3.243   -4.629  3.960   1.00 54.52 16 B 1 
ATOM 379 N N   . ARG B 2 17 ? 6.778   -5.422  4.943   1.00 63.03 17 B 1 
ATOM 380 C CA  . ARG B 2 17 ? 7.850   -4.513  4.545   1.00 62.29 17 B 1 
ATOM 381 C C   . ARG B 2 17 ? 8.888   -5.199  3.666   1.00 61.55 17 B 1 
ATOM 382 O O   . ARG B 2 17 ? 9.503   -4.537  2.820   1.00 60.88 17 B 1 
ATOM 383 C CB  . ARG B 2 17 ? 8.519   -3.888  5.771   1.00 61.62 17 B 1 
ATOM 384 C CG  . ARG B 2 17 ? 7.594   -2.949  6.535   1.00 56.48 17 B 1 
ATOM 385 C CD  . ARG B 2 17 ? 8.354   -2.151  7.580   1.00 55.68 17 B 1 
ATOM 386 N NE  . ARG B 2 17 ? 9.155   -1.090  6.968   1.00 52.48 17 B 1 
ATOM 387 C CZ  . ARG B 2 17 ? 10.128  -0.421  7.588   1.00 47.96 17 B 1 
ATOM 388 N NH1 . ARG B 2 17 ? 10.428  -0.700  8.847   1.00 44.62 17 B 1 
ATOM 389 N NH2 . ARG B 2 17 ? 10.798  0.525   6.949   1.00 43.39 17 B 1 
ATOM 390 N N   . ASP B 2 18 ? 9.079   -6.499  3.826   1.00 61.52 18 B 1 
ATOM 391 C CA  . ASP B 2 18 ? 10.050  -7.232  3.017   1.00 62.52 18 B 1 
ATOM 392 C C   . ASP B 2 18 ? 9.503   -7.624  1.641   1.00 63.95 18 B 1 
ATOM 393 O O   . ASP B 2 18 ? 10.291  -7.801  0.708   1.00 63.98 18 B 1 
ATOM 394 C CB  . ASP B 2 18 ? 10.516  -8.488  3.759   1.00 63.06 18 B 1 
ATOM 395 C CG  . ASP B 2 18 ? 11.404  -8.165  4.960   1.00 59.05 18 B 1 
ATOM 396 O OD1 . ASP B 2 18 ? 11.980  -7.054  5.025   1.00 57.38 18 B 1 
ATOM 397 O OD2 . ASP B 2 18 ? 11.538  -9.041  5.839   1.00 56.89 18 B 1 
ATOM 398 N N   . PHE B 2 19 ? 8.183   -7.760  1.495   1.00 56.79 19 B 1 
ATOM 399 C CA  . PHE B 2 19 ? 7.593   -8.306  0.272   1.00 56.82 19 B 1 
ATOM 400 C C   . PHE B 2 19 ? 6.689   -7.342  -0.495  1.00 58.10 19 B 1 
ATOM 401 O O   . PHE B 2 19 ? 6.121   -7.740  -1.520  1.00 56.86 19 B 1 
ATOM 402 C CB  . PHE B 2 19 ? 6.822   -9.591  0.597   1.00 55.65 19 B 1 
ATOM 403 C CG  . PHE B 2 19 ? 7.725   -10.764 0.896   1.00 52.98 19 B 1 
ATOM 404 C CD1 . PHE B 2 19 ? 8.208   -11.567 -0.134  1.00 48.71 19 B 1 
ATOM 405 C CD2 . PHE B 2 19 ? 8.099   -11.051 2.201   1.00 50.88 19 B 1 
ATOM 406 C CE1 . PHE B 2 19 ? 9.047   -12.638 0.141   1.00 45.86 19 B 1 
ATOM 407 C CE2 . PHE B 2 19 ? 8.942   -12.120 2.480   1.00 46.64 19 B 1 
ATOM 408 C CZ  . PHE B 2 19 ? 9.413   -12.915 1.450   1.00 45.61 19 B 1 
ATOM 409 N N   . CYS B 2 20 ? 6.538   -6.103  -0.048  1.00 59.25 20 B 1 
ATOM 410 C CA  . CYS B 2 20 ? 5.681   -5.124  -0.716  1.00 59.64 20 B 1 
ATOM 411 C C   . CYS B 2 20 ? 6.388   -3.786  -0.906  1.00 59.32 20 B 1 
ATOM 412 O O   . CYS B 2 20 ? 7.173   -3.364  -0.060  1.00 57.88 20 B 1 
ATOM 413 C CB  . CYS B 2 20 ? 4.385   -4.900  0.068   1.00 59.71 20 B 1 
ATOM 414 S SG  . CYS B 2 20 ? 3.490   -6.422  0.460   1.00 56.52 20 B 1 
ATOM 415 N N   . ASP B 2 21 ? 6.102   -3.118  -2.015  1.00 63.00 21 B 1 
ATOM 416 C CA  . ASP B 2 21 ? 6.555   -1.757  -2.262  1.00 63.11 21 B 1 
ATOM 417 C C   . ASP B 2 21 ? 5.448   -0.972  -2.960  1.00 62.65 21 B 1 
ATOM 418 O O   . ASP B 2 21 ? 4.505   -1.554  -3.507  1.00 62.14 21 B 1 
ATOM 419 C CB  . ASP B 2 21 ? 7.857   -1.727  -3.076  1.00 63.30 21 B 1 
ATOM 420 C CG  . ASP B 2 21 ? 7.700   -2.299  -4.476  1.00 59.34 21 B 1 
ATOM 421 O OD1 . ASP B 2 21 ? 7.909   -3.517  -4.641  1.00 57.42 21 B 1 
ATOM 422 O OD2 . ASP B 2 21 ? 7.400   -1.535  -5.417  1.00 57.03 21 B 1 
ATOM 423 N N   . PHE B 2 22 ? 5.553   0.349   -2.926  1.00 59.59 22 B 1 
ATOM 424 C CA  . PHE B 2 22 ? 4.561   1.216   -3.540  1.00 58.40 22 B 1 
ATOM 425 C C   . PHE B 2 22 ? 5.207   2.504   -4.036  1.00 57.79 22 B 1 
ATOM 426 O O   . PHE B 2 22 ? 6.301   2.881   -3.603  1.00 56.64 22 B 1 
ATOM 427 C CB  . PHE B 2 22 ? 3.420   1.533   -2.568  1.00 57.58 22 B 1 
ATOM 428 C CG  . PHE B 2 22 ? 3.828   2.387   -1.392  1.00 55.57 22 B 1 
ATOM 429 C CD1 . PHE B 2 22 ? 3.699   3.774   -1.438  1.00 52.40 22 B 1 
ATOM 430 C CD2 . PHE B 2 22 ? 4.347   1.811   -0.241  1.00 53.44 22 B 1 
ATOM 431 C CE1 . PHE B 2 22 ? 4.077   4.564   -0.360  1.00 49.60 22 B 1 
ATOM 432 C CE2 . PHE B 2 22 ? 4.729   2.599   0.842   1.00 49.33 22 B 1 
ATOM 433 C CZ  . PHE B 2 22 ? 4.592   3.973   0.777   1.00 47.81 22 B 1 
ATOM 434 N N   . ARG B 2 23 ? 4.507   3.177   -4.952  1.00 59.99 23 B 1 
ATOM 435 C CA  . ARG B 2 23 ? 4.873   4.495   -5.464  1.00 58.80 23 B 1 
ATOM 436 C C   . ARG B 2 23 ? 3.599   5.334   -5.474  1.00 58.28 23 B 1 
ATOM 437 O O   . ARG B 2 23 ? 2.618   4.952   -6.116  1.00 56.36 23 B 1 
ATOM 438 C CB  . ARG B 2 23 ? 5.463   4.362   -6.868  1.00 56.54 23 B 1 
ATOM 439 C CG  . ARG B 2 23 ? 5.926   5.666   -7.491  1.00 51.50 23 B 1 
ATOM 440 C CD  . ARG B 2 23 ? 6.326   5.467   -8.951  1.00 49.32 23 B 1 
ATOM 441 N NE  . ARG B 2 23 ? 7.406   4.500   -9.109  1.00 46.47 23 B 1 
ATOM 442 C CZ  . ARG B 2 23 ? 7.340   3.387   -9.833  1.00 43.00 23 B 1 
ATOM 443 N NH1 . ARG B 2 23 ? 6.235   3.074   -10.497 1.00 39.02 23 B 1 
ATOM 444 N NH2 . ARG B 2 23 ? 8.384   2.580   -9.901  1.00 38.25 23 B 1 
ATOM 445 N N   . CYS B 2 24 ? 3.596   6.464   -4.752  1.00 60.70 24 B 1 
ATOM 446 C CA  . CYS B 2 24 ? 2.355   7.215   -4.554  1.00 59.96 24 B 1 
ATOM 447 C C   . CYS B 2 24 ? 2.630   8.688   -4.272  1.00 59.34 24 B 1 
ATOM 448 O O   . CYS B 2 24 ? 3.545   9.021   -3.524  1.00 56.50 24 B 1 
ATOM 449 C CB  . CYS B 2 24 ? 1.551   6.598   -3.402  1.00 58.57 24 B 1 
ATOM 450 S SG  . CYS B 2 24 ? -0.078  7.326   -3.126  1.00 53.42 24 B 1 
ATOM 451 N N   . ASP B 2 25 ? 1.814   9.574   -4.875  1.00 59.84 25 B 1 
ATOM 452 C CA  . ASP B 2 25 ? 1.886   11.016  -4.628  1.00 59.85 25 B 1 
ATOM 453 C C   . ASP B 2 25 ? 1.113   11.444  -3.378  1.00 58.68 25 B 1 
ATOM 454 O O   . ASP B 2 25 ? 1.489   12.413  -2.717  1.00 56.83 25 B 1 
ATOM 455 C CB  . ASP B 2 25 ? 1.352   11.767  -5.853  1.00 58.61 25 B 1 
ATOM 456 C CG  . ASP B 2 25 ? 1.770   13.224  -5.862  1.00 54.04 25 B 1 
ATOM 457 O OD1 . ASP B 2 25 ? 2.939   13.497  -6.208  1.00 51.09 25 B 1 
ATOM 458 O OD2 . ASP B 2 25 ? 0.941   14.097  -5.538  1.00 50.50 25 B 1 
ATOM 459 N N   . ARG B 2 26 ? 0.043   10.766  -3.035  1.00 56.39 26 B 1 
ATOM 460 C CA  . ARG B 2 26 ? -0.840  11.159  -1.918  1.00 56.29 26 B 1 
ATOM 461 C C   . ARG B 2 26 ? -1.390  9.967   -1.143  1.00 52.68 26 B 1 
ATOM 462 O O   . ARG B 2 26 ? -1.194  9.908   0.086   1.00 49.20 26 B 1 
ATOM 463 C CB  . ARG B 2 26 ? -1.984  12.034  -2.467  1.00 54.09 26 B 1 
ATOM 464 C CG  . ARG B 2 26 ? -2.168  13.357  -1.773  1.00 49.45 26 B 1 
ATOM 465 C CD  . ARG B 2 26 ? -2.029  14.540  -2.723  1.00 46.38 26 B 1 
ATOM 466 N NE  . ARG B 2 26 ? -0.663  15.039  -2.741  1.00 45.43 26 B 1 
ATOM 467 C CZ  . ARG B 2 26 ? -0.252  16.117  -3.413  1.00 42.16 26 B 1 
ATOM 468 N NH1 . ARG B 2 26 ? -1.108  16.846  -4.117  1.00 42.94 26 B 1 
ATOM 469 N NH2 . ARG B 2 26 ? 1.015   16.466  -3.374  1.00 39.34 26 B 1 
ATOM 470 O OXT . ARG B 2 26 ? -2.004  9.144   -1.729  1.00 47.52 26 B 1 
#
