# 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_if08942
#
_entry.id if08942
#
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](N)C(O)=O                ? "L-PEPTIDE LINKING" 
"C6 H15 N4 O2"  175.209 ARG y ARGININE        N[C@@H](CCCNC(N)=[NH2+])C(O)=O ? "L-PEPTIDE LINKING" 
"C4 H8 N2 O3"   132.118 ASN y ASPARAGINE      N[C@@H](CC(N)=O)C(O)=O         ? "L-PEPTIDE LINKING" 
"C4 H7 N O4"    133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O         ? "L-PEPTIDE LINKING" 
"C5 H9 N O4"    147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O        ? "L-PEPTIDE LINKING" 
"C6 H10 N3 O2"  156.162 HIS y HISTIDINE       N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 ILE y ISOLEUCINE      CC[C@H](C)[C@H](N)C(O)=O       ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 LEU y LEUCINE         CC(C)C[C@H](N)C(O)=O           ? "L-PEPTIDE LINKING" 
"C6 H15 N2 O2"  147.195 LYS y LYSINE          N[C@@H](CCCC[NH3+])C(O)=O      ? "L-PEPTIDE LINKING" 
"C5 H11 N O2 S" 149.211 MET y METHIONINE      CSCC[C@H](N)C(O)=O             ? "L-PEPTIDE LINKING" 
"C9 H11 N O2"   165.189 PHE y PHENYLALANINE   N[C@@H](Cc1ccccc1)C(O)=O       ? "L-PEPTIDE LINKING" 
"C5 H9 N O2"    115.130 PRO y PROLINE         OC(=O)[C@@H]1CCCN1             ? "L-PEPTIDE LINKING" 
"C3 H7 N O3"    105.093 SER y SERINE          N[C@@H](CO)C(O)=O              ? "L-PEPTIDE LINKING" 
"C4 H9 N O3"    119.119 THR y THREONINE       C[C@@H](O)[C@H](N)C(O)=O       ? "L-PEPTIDE LINKING" 
"C9 H11 N O3"   181.189 TYR y TYROSINE        N[C@@H](Cc1ccc(O)cc1)C(O)=O    ? "L-PEPTIDE LINKING" 
"C5 H11 N O2"   117.146 VAL y VALINE          CC(C)[C@H](N)C(O)=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 ALA 2  
1 n VAL 3  
1 n ARG 4  
1 n ASP 5  
1 n LYS 6  
1 n ILE 7  
1 n LYS 8  
1 n MET 9  
1 n LYS 10 
1 n SER 11 
1 n THR 12 
1 n GLU 13 
1 n SER 14 
1 n ALA 15 
1 n HIS 16 
1 n PHE 17 
1 n TYR 18 
1 n THR 19 
1 n THR 20 
1 n SER 21 
1 n LYS 22 
1 n ASN 23 
1 n LYS 24 
1 n LYS 25 
1 n THR 26 
1 n LYS 27 
1 n PRO 28 
1 n ALA 29 
1 n LYS 30 
1 n LEU 31 
1 n GLU 32 
1 n MET 33 
1 n LYS 34 
1 n LYS 35 
1 n PHE 36 
1 n ASP 37 
1 n PRO 38 
1 n THR 39 
1 n LEU 40 
1 n ARG 41 
1 n LYS 42 
1 n HIS 43 
1 n VAL 44 
1 n VAL 45 
1 n TYR 46 
1 n LYS 47 
1 n GLU 48 
1 n ASP 49 
1 n LYS 50 
1 n ILE 51 
1 n LYS 52 
#
_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 @ 2025-11-14 16:58:11)"
_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 86.86
_ma_qa_metric_global.model_id     1
_ma_qa_metric_global.ordinal_id   1
#
_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 ALA . 2  A 2  
A 3  1 n VAL . 3  A 3  
A 4  1 n ARG . 4  A 4  
A 5  1 n ASP . 5  A 5  
A 6  1 n LYS . 6  A 6  
A 7  1 n ILE . 7  A 7  
A 8  1 n LYS . 8  A 8  
A 9  1 n MET . 9  A 9  
A 10 1 n LYS . 10 A 10 
A 11 1 n SER . 11 A 11 
A 12 1 n THR . 12 A 12 
A 13 1 n GLU . 13 A 13 
A 14 1 n SER . 14 A 14 
A 15 1 n ALA . 15 A 15 
A 16 1 n HIS . 16 A 16 
A 17 1 n PHE . 17 A 17 
A 18 1 n TYR . 18 A 18 
A 19 1 n THR . 19 A 19 
A 20 1 n THR . 20 A 20 
A 21 1 n SER . 21 A 21 
A 22 1 n LYS . 22 A 22 
A 23 1 n ASN . 23 A 23 
A 24 1 n LYS . 24 A 24 
A 25 1 n LYS . 25 A 25 
A 26 1 n THR . 26 A 26 
A 27 1 n LYS . 27 A 27 
A 28 1 n PRO . 28 A 28 
A 29 1 n ALA . 29 A 29 
A 30 1 n LYS . 30 A 30 
A 31 1 n LEU . 31 A 31 
A 32 1 n GLU . 32 A 32 
A 33 1 n MET . 33 A 33 
A 34 1 n LYS . 34 A 34 
A 35 1 n LYS . 35 A 35 
A 36 1 n PHE . 36 A 36 
A 37 1 n ASP . 37 A 37 
A 38 1 n PRO . 38 A 38 
A 39 1 n THR . 39 A 39 
A 40 1 n LEU . 40 A 40 
A 41 1 n ARG . 41 A 41 
A 42 1 n LYS . 42 A 42 
A 43 1 n HIS . 43 A 43 
A 44 1 n VAL . 44 A 44 
A 45 1 n VAL . 45 A 45 
A 46 1 n TYR . 46 A 46 
A 47 1 n LYS . 47 A 47 
A 48 1 n GLU . 48 A 48 
A 49 1 n ASP . 49 A 49 
A 50 1 n LYS . 50 A 50 
A 51 1 n ILE . 51 A 51 
A 52 1 n LYS . 52 A 52 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (3ba2d0388b83b90ab601e399702e005f73b6587c61cc70b0a0466583b05b47e1)"
#
_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  ? 1.233   -18.739 -16.552 1.00 70.93 1  A 1 
ATOM 2   C CA  . MET A 1 1  ? 2.159   -17.987 -15.675 1.00 74.00 1  A 1 
ATOM 3   C C   . MET A 1 1  ? 1.356   -17.016 -14.826 1.00 75.29 1  A 1 
ATOM 4   O O   . MET A 1 1  ? 0.486   -16.333 -15.353 1.00 71.85 1  A 1 
ATOM 5   C CB  . MET A 1 1  ? 3.209   -17.236 -16.496 1.00 68.46 1  A 1 
ATOM 6   C CG  . MET A 1 1  ? 4.246   -18.187 -17.091 1.00 62.59 1  A 1 
ATOM 7   S SD  . MET A 1 1  ? 5.492   -17.318 -18.053 1.00 58.41 1  A 1 
ATOM 8   C CE  . MET A 1 1  ? 6.598   -18.676 -18.445 1.00 51.05 1  A 1 
ATOM 9   N N   . ALA A 1 2  ? 1.623   -16.971 -13.510 1.00 69.04 2  A 1 
ATOM 10  C CA  . ALA A 1 2  ? 0.943   -16.053 -12.602 1.00 72.58 2  A 1 
ATOM 11  C C   . ALA A 1 2  ? 1.573   -14.657 -12.729 1.00 76.15 2  A 1 
ATOM 12  O O   . ALA A 1 2  ? 2.504   -14.325 -12.001 1.00 72.39 2  A 1 
ATOM 13  C CB  . ALA A 1 2  ? 0.998   -16.622 -11.177 1.00 66.63 2  A 1 
ATOM 14  N N   . VAL A 1 3  ? 1.078   -13.852 -13.663 1.00 82.91 3  A 1 
ATOM 15  C CA  . VAL A 1 3  ? 1.506   -12.461 -13.809 1.00 84.74 3  A 1 
ATOM 16  C C   . VAL A 1 3  ? 1.065   -11.686 -12.573 1.00 86.39 3  A 1 
ATOM 17  O O   . VAL A 1 3  ? -0.115  -11.680 -12.212 1.00 83.40 3  A 1 
ATOM 18  C CB  . VAL A 1 3  ? 0.966   -11.826 -15.096 1.00 81.67 3  A 1 
ATOM 19  C CG1 . VAL A 1 3  ? 1.463   -10.387 -15.246 1.00 72.99 3  A 1 
ATOM 20  C CG2 . VAL A 1 3  ? 1.428   -12.623 -16.322 1.00 74.36 3  A 1 
ATOM 21  N N   . ARG A 1 4  ? 2.033   -11.059 -11.899 1.00 87.50 4  A 1 
ATOM 22  C CA  . ARG A 1 4  ? 1.797   -10.240 -10.712 1.00 88.30 4  A 1 
ATOM 23  C C   . ARG A 1 4  ? 1.912   -8.770  -11.097 1.00 88.51 4  A 1 
ATOM 24  O O   . ARG A 1 4  ? 2.934   -8.352  -11.633 1.00 86.20 4  A 1 
ATOM 25  C CB  . ARG A 1 4  ? 2.791   -10.596 -9.604  1.00 86.67 4  A 1 
ATOM 26  C CG  . ARG A 1 4  ? 2.644   -12.035 -9.072  1.00 81.82 4  A 1 
ATOM 27  C CD  . ARG A 1 4  ? 1.345   -12.217 -8.279  1.00 79.34 4  A 1 
ATOM 28  N NE  . ARG A 1 4  ? 1.261   -13.584 -7.725  1.00 74.19 4  A 1 
ATOM 29  C CZ  . ARG A 1 4  ? 0.576   -13.946 -6.644  1.00 71.47 4  A 1 
ATOM 30  N NH1 . ARG A 1 4  ? -0.121  -13.093 -5.942  1.00 65.68 4  A 1 
ATOM 31  N NH2 . ARG A 1 4  ? 0.576   -15.189 -6.261  1.00 63.62 4  A 1 
ATOM 32  N N   . ASP A 1 5  ? 0.881   -8.003  -10.786 1.00 89.35 5  A 1 
ATOM 33  C CA  . ASP A 1 5  ? 0.906   -6.554  -10.923 1.00 88.98 5  A 1 
ATOM 34  C C   . ASP A 1 5  ? 1.593   -5.949  -9.704  1.00 90.41 5  A 1 
ATOM 35  O O   . ASP A 1 5  ? 1.194   -6.205  -8.565  1.00 87.96 5  A 1 
ATOM 36  C CB  . ASP A 1 5  ? -0.511  -6.011  -11.057 1.00 84.57 5  A 1 
ATOM 37  C CG  . ASP A 1 5  ? -1.192  -6.493  -12.328 1.00 73.01 5  A 1 
ATOM 38  O OD1 . ASP A 1 5  ? -0.939  -5.870  -13.384 1.00 64.25 5  A 1 
ATOM 39  O OD2 . ASP A 1 5  ? -2.025  -7.414  -12.221 1.00 67.10 5  A 1 
ATOM 40  N N   . LYS A 1 6  ? 2.616   -5.131  -9.941  1.00 91.96 6  A 1 
ATOM 41  C CA  . LYS A 1 6  ? 3.288   -4.409  -8.866  1.00 92.70 6  A 1 
ATOM 42  C C   . LYS A 1 6  ? 2.425   -3.220  -8.447  1.00 93.39 6  A 1 
ATOM 43  O O   . LYS A 1 6  ? 1.996   -2.417  -9.270  1.00 91.70 6  A 1 
ATOM 44  C CB  . LYS A 1 6  ? 4.709   -4.027  -9.295  1.00 91.27 6  A 1 
ATOM 45  C CG  . LYS A 1 6  ? 5.588   -3.684  -8.088  1.00 80.59 6  A 1 
ATOM 46  C CD  . LYS A 1 6  ? 7.049   -3.498  -8.500  1.00 78.57 6  A 1 
ATOM 47  C CE  . LYS A 1 6  ? 7.923   -3.237  -7.275  1.00 68.86 6  A 1 
ATOM 48  N NZ  . LYS A 1 6  ? 9.356   -3.068  -7.630  1.00 61.61 6  A 1 
ATOM 49  N N   . ILE A 1 7  ? 2.163   -3.138  -7.144  1.00 93.57 7  A 1 
ATOM 50  C CA  . ILE A 1 7  ? 1.332   -2.107  -6.521  1.00 93.83 7  A 1 
ATOM 51  C C   . ILE A 1 7  ? 2.064   -1.520  -5.325  1.00 94.76 7  A 1 
ATOM 52  O O   . ILE A 1 7  ? 3.021   -2.104  -4.818  1.00 94.31 7  A 1 
ATOM 53  C CB  . ILE A 1 7  ? -0.051  -2.675  -6.102  1.00 92.72 7  A 1 
ATOM 54  C CG1 . ILE A 1 7  ? 0.071   -3.798  -5.043  1.00 87.89 7  A 1 
ATOM 55  C CG2 . ILE A 1 7  ? -0.823  -3.153  -7.341  1.00 84.85 7  A 1 
ATOM 56  C CD1 . ILE A 1 7  ? -1.259  -4.195  -4.404  1.00 84.38 7  A 1 
ATOM 57  N N   . LYS A 1 8  ? 1.604   -0.385  -4.845  1.00 95.56 8  A 1 
ATOM 58  C CA  . LYS A 1 8  ? 2.020   0.153   -3.557  1.00 95.86 8  A 1 
ATOM 59  C C   . LYS A 1 8  ? 0.840   0.219   -2.600  1.00 95.99 8  A 1 
ATOM 60  O O   . LYS A 1 8  ? -0.298  0.435   -3.009  1.00 94.87 8  A 1 
ATOM 61  C CB  . LYS A 1 8  ? 2.739   1.500   -3.723  1.00 94.60 8  A 1 
ATOM 62  C CG  . LYS A 1 8  ? 1.850   2.633   -4.240  1.00 88.03 8  A 1 
ATOM 63  C CD  . LYS A 1 8  ? 2.675   3.904   -4.463  1.00 88.58 8  A 1 
ATOM 64  C CE  . LYS A 1 8  ? 1.788   5.024   -4.997  1.00 79.63 8  A 1 
ATOM 65  N NZ  . LYS A 1 8  ? 2.560   6.221   -5.391  1.00 73.88 8  A 1 
ATOM 66  N N   . MET A 1 9  ? 1.126   0.045   -1.324  1.00 96.26 9  A 1 
ATOM 67  C CA  . MET A 1 9  ? 0.187   0.266   -0.229  1.00 96.24 9  A 1 
ATOM 68  C C   . MET A 1 9  ? 0.527   1.613   0.397   1.00 96.49 9  A 1 
ATOM 69  O O   . MET A 1 9  ? 1.534   1.730   1.091   1.00 95.73 9  A 1 
ATOM 70  C CB  . MET A 1 9  ? 0.290   -0.881  0.781   1.00 95.37 9  A 1 
ATOM 71  C CG  . MET A 1 9  ? -0.054  -2.248  0.170   1.00 90.84 9  A 1 
ATOM 72  S SD  . MET A 1 9  ? -1.720  -2.393  -0.533  1.00 86.39 9  A 1 
ATOM 73  C CE  . MET A 1 9  ? -2.722  -2.265  0.968   1.00 77.44 9  A 1 
ATOM 74  N N   . LYS A 1 10 ? -0.255  2.643   0.105   1.00 96.55 10 A 1 
ATOM 75  C CA  . LYS A 1 10 ? -0.002  4.018   0.545   1.00 96.41 10 A 1 
ATOM 76  C C   . LYS A 1 10 ? -0.684  4.291   1.878   1.00 96.58 10 A 1 
ATOM 77  O O   . LYS A 1 10 ? -1.852  3.953   2.056   1.00 95.34 10 A 1 
ATOM 78  C CB  . LYS A 1 10 ? -0.456  4.991   -0.553  1.00 94.96 10 A 1 
ATOM 79  C CG  . LYS A 1 10 ? 0.013   6.432   -0.289  1.00 85.54 10 A 1 
ATOM 80  C CD  . LYS A 1 10 ? -0.367  7.381   -1.440  1.00 83.69 10 A 1 
ATOM 81  C CE  . LYS A 1 10 ? -1.873  7.656   -1.471  1.00 73.04 10 A 1 
ATOM 82  N NZ  . LYS A 1 10 ? -2.282  8.368   -2.699  1.00 64.98 10 A 1 
ATOM 83  N N   . SER A 1 11 ? 0.033   4.915   2.795   1.00 96.32 11 A 1 
ATOM 84  C CA  . SER A 1 11 ? -0.515  5.379   4.065   1.00 96.24 11 A 1 
ATOM 85  C C   . SER A 1 11 ? -1.651  6.373   3.829   1.00 95.74 11 A 1 
ATOM 86  O O   . SER A 1 11 ? -1.568  7.223   2.942   1.00 94.53 11 A 1 
ATOM 87  C CB  . SER A 1 11 ? 0.590   6.037   4.893   1.00 95.74 11 A 1 
ATOM 88  O OG  . SER A 1 11 ? 0.081   6.480   6.136   1.00 91.13 11 A 1 
ATOM 89  N N   . THR A 1 12 ? -2.696  6.283   4.639   1.00 96.14 12 A 1 
ATOM 90  C CA  . THR A 1 12 ? -3.784  7.275   4.632   1.00 95.08 12 A 1 
ATOM 91  C C   . THR A 1 12 ? -3.426  8.553   5.391   1.00 94.96 12 A 1 
ATOM 92  O O   . THR A 1 12 ? -4.112  9.555   5.231   1.00 92.04 12 A 1 
ATOM 93  C CB  . THR A 1 12 ? -5.065  6.678   5.221   1.00 93.72 12 A 1 
ATOM 94  O OG1 . THR A 1 12 ? -4.840  6.149   6.507   1.00 85.59 12 A 1 
ATOM 95  C CG2 . THR A 1 12 ? -5.601  5.549   4.349   1.00 83.04 12 A 1 
ATOM 96  N N   . GLU A 1 13 ? -2.365  8.516   6.195   1.00 95.66 13 A 1 
ATOM 97  C CA  . GLU A 1 13 ? -1.991  9.577   7.137   1.00 94.97 13 A 1 
ATOM 98  C C   . GLU A 1 13 ? -0.681  10.283  6.759   1.00 94.50 13 A 1 
ATOM 99  O O   . GLU A 1 13 ? -0.373  11.353  7.289   1.00 90.05 13 A 1 
ATOM 100 C CB  . GLU A 1 13 ? -1.842  8.962   8.531   1.00 93.73 13 A 1 
ATOM 101 C CG  . GLU A 1 13 ? -3.103  8.275   9.073   1.00 86.88 13 A 1 
ATOM 102 C CD  . GLU A 1 13 ? -4.238  9.255   9.369   1.00 78.87 13 A 1 
ATOM 103 O OE1 . GLU A 1 13 ? -5.357  8.994   8.897   1.00 71.88 13 A 1 
ATOM 104 O OE2 . GLU A 1 13 ? -3.978  10.235  10.100  1.00 71.74 13 A 1 
ATOM 105 N N   . SER A 1 14 ? 0.119   9.680   5.871   1.00 95.19 14 A 1 
ATOM 106 C CA  . SER A 1 14 ? 1.413   10.222  5.444   1.00 93.71 14 A 1 
ATOM 107 C C   . SER A 1 14 ? 1.713   9.885   3.979   1.00 92.11 14 A 1 
ATOM 108 O O   . SER A 1 14 ? 0.954   9.181   3.312   1.00 87.08 14 A 1 
ATOM 109 C CB  . SER A 1 14 ? 2.526   9.709   6.374   1.00 92.17 14 A 1 
ATOM 110 O OG  . SER A 1 14 ? 3.005   8.450   5.970   1.00 86.75 14 A 1 
ATOM 111 N N   . ALA A 1 15 ? 2.846   10.373  3.478   1.00 93.71 15 A 1 
ATOM 112 C CA  . ALA A 1 15 ? 3.325   10.049  2.131   1.00 92.80 15 A 1 
ATOM 113 C C   . ALA A 1 15 ? 4.047   8.691   2.054   1.00 93.36 15 A 1 
ATOM 114 O O   . ALA A 1 15 ? 4.436   8.263   0.967   1.00 90.22 15 A 1 
ATOM 115 C CB  . ALA A 1 15 ? 4.217   11.197  1.648   1.00 90.67 15 A 1 
ATOM 116 N N   . HIS A 1 16 ? 4.245   8.001   3.191   1.00 95.96 16 A 1 
ATOM 117 C CA  . HIS A 1 16 ? 4.917   6.708   3.214   1.00 96.79 16 A 1 
ATOM 118 C C   . HIS A 1 16 ? 4.084   5.636   2.506   1.00 97.09 16 A 1 
ATOM 119 O O   . HIS A 1 16 ? 2.852   5.657   2.537   1.00 96.52 16 A 1 
ATOM 120 C CB  . HIS A 1 16 ? 5.237   6.312   4.660   1.00 96.30 16 A 1 
ATOM 121 C CG  . HIS A 1 16 ? 5.931   4.984   4.753   1.00 96.14 16 A 1 
ATOM 122 N ND1 . HIS A 1 16 ? 5.319   3.780   4.997   1.00 88.88 16 A 1 
ATOM 123 C CD2 . HIS A 1 16 ? 7.251   4.713   4.517   1.00 90.39 16 A 1 
ATOM 124 C CE1 . HIS A 1 16 ? 6.242   2.812   4.907   1.00 91.28 16 A 1 
ATOM 125 N NE2 . HIS A 1 16 ? 7.434   3.343   4.613   1.00 92.09 16 A 1 
ATOM 126 N N   . PHE A 1 17 ? 4.768   4.676   1.875   1.00 96.97 17 A 1 
ATOM 127 C CA  . PHE A 1 17 ? 4.119   3.519   1.271   1.00 96.89 17 A 1 
ATOM 128 C C   . PHE A 1 17 ? 5.016   2.284   1.317   1.00 97.06 17 A 1 
ATOM 129 O O   . PHE A 1 17 ? 6.241   2.382   1.294   1.00 96.26 17 A 1 
ATOM 130 C CB  . PHE A 1 17 ? 3.698   3.832   -0.174  1.00 95.92 17 A 1 
ATOM 131 C CG  . PHE A 1 17 ? 4.839   4.114   -1.129  1.00 95.06 17 A 1 
ATOM 132 C CD1 . PHE A 1 17 ? 5.336   5.420   -1.278  1.00 92.57 17 A 1 
ATOM 133 C CD2 . PHE A 1 17 ? 5.420   3.079   -1.875  1.00 90.65 17 A 1 
ATOM 134 C CE1 . PHE A 1 17 ? 6.399   5.677   -2.150  1.00 88.35 17 A 1 
ATOM 135 C CE2 . PHE A 1 17 ? 6.485   3.334   -2.748  1.00 88.73 17 A 1 
ATOM 136 C CZ  . PHE A 1 17 ? 6.975   4.638   -2.886  1.00 88.16 17 A 1 
ATOM 137 N N   . TYR A 1 18 ? 4.385   1.108   1.326   1.00 96.55 18 A 1 
ATOM 138 C CA  . TYR A 1 18 ? 5.053   -0.162  1.078   1.00 96.40 18 A 1 
ATOM 139 C C   . TYR A 1 18 ? 4.793   -0.605  -0.358  1.00 96.18 18 A 1 
ATOM 140 O O   . TYR A 1 18 ? 3.720   -0.355  -0.906  1.00 94.49 18 A 1 
ATOM 141 C CB  . TYR A 1 18 ? 4.559   -1.211  2.075   1.00 95.53 18 A 1 
ATOM 142 C CG  . TYR A 1 18 ? 4.976   -0.923  3.497   1.00 94.34 18 A 1 
ATOM 143 C CD1 . TYR A 1 18 ? 6.294   -1.173  3.912   1.00 90.86 18 A 1 
ATOM 144 C CD2 . TYR A 1 18 ? 4.050   -0.393  4.418   1.00 89.74 18 A 1 
ATOM 145 C CE1 . TYR A 1 18 ? 6.689   -0.899  5.227   1.00 87.63 18 A 1 
ATOM 146 C CE2 . TYR A 1 18 ? 4.441   -0.115  5.736   1.00 87.62 18 A 1 
ATOM 147 C CZ  . TYR A 1 18 ? 5.762   -0.371  6.136   1.00 88.52 18 A 1 
ATOM 148 O OH  . TYR A 1 18 ? 6.144   -0.100  7.423   1.00 85.82 18 A 1 
ATOM 149 N N   . THR A 1 19 ? 5.756   -1.310  -0.972  1.00 96.08 19 A 1 
ATOM 150 C CA  . THR A 1 19 ? 5.550   -1.947  -2.273  1.00 95.37 19 A 1 
ATOM 151 C C   . THR A 1 19 ? 5.205   -3.420  -2.093  1.00 94.68 19 A 1 
ATOM 152 O O   . THR A 1 19 ? 5.739   -4.104  -1.221  1.00 91.23 19 A 1 
ATOM 153 C CB  . THR A 1 19 ? 6.751   -1.774  -3.212  1.00 93.98 19 A 1 
ATOM 154 O OG1 . THR A 1 19 ? 7.918   -2.308  -2.642  1.00 84.16 19 A 1 
ATOM 155 C CG2 . THR A 1 19 ? 7.012   -0.306  -3.528  1.00 82.68 19 A 1 
ATOM 156 N N   . THR A 1 20 ? 4.305   -3.915  -2.918  1.00 94.06 20 A 1 
ATOM 157 C CA  . THR A 1 20 ? 3.925   -5.326  -2.959  1.00 93.03 20 A 1 
ATOM 158 C C   . THR A 1 20 ? 3.460   -5.690  -4.368  1.00 93.03 20 A 1 
ATOM 159 O O   . THR A 1 20 ? 3.518   -4.866  -5.287  1.00 90.39 20 A 1 
ATOM 160 C CB  . THR A 1 20 ? 2.875   -5.622  -1.866  1.00 90.83 20 A 1 
ATOM 161 O OG1 . THR A 1 20 ? 2.668   -7.015  -1.776  1.00 81.39 20 A 1 
ATOM 162 C CG2 . THR A 1 20 ? 1.519   -4.962  -2.095  1.00 81.91 20 A 1 
ATOM 163 N N   . SER A 1 21 ? 3.031   -6.920  -4.568  1.00 92.29 21 A 1 
ATOM 164 C CA  . SER A 1 21 ? 2.433   -7.357  -5.825  1.00 91.47 21 A 1 
ATOM 165 C C   . SER A 1 21 ? 1.177   -8.178  -5.571  1.00 91.42 21 A 1 
ATOM 166 O O   . SER A 1 21 ? 1.075   -8.897  -4.571  1.00 88.58 21 A 1 
ATOM 167 C CB  . SER A 1 21 ? 3.452   -8.126  -6.672  1.00 89.59 21 A 1 
ATOM 168 O OG  . SER A 1 21 ? 3.877   -9.309  -6.032  1.00 81.71 21 A 1 
ATOM 169 N N   . LYS A 1 22 ? 0.220   -8.097  -6.489  1.00 90.71 22 A 1 
ATOM 170 C CA  . LYS A 1 22 ? -0.982  -8.919  -6.465  1.00 90.92 22 A 1 
ATOM 171 C C   . LYS A 1 22 ? -1.352  -9.382  -7.866  1.00 90.26 22 A 1 
ATOM 172 O O   . LYS A 1 22 ? -0.968  -8.773  -8.859  1.00 86.67 22 A 1 
ATOM 173 C CB  . LYS A 1 22 ? -2.136  -8.176  -5.773  1.00 89.15 22 A 1 
ATOM 174 C CG  . LYS A 1 22 ? -2.758  -7.070  -6.625  1.00 86.19 22 A 1 
ATOM 175 C CD  . LYS A 1 22 ? -3.985  -6.488  -5.930  1.00 85.02 22 A 1 
ATOM 176 C CE  . LYS A 1 22 ? -4.759  -5.611  -6.905  1.00 80.16 22 A 1 
ATOM 177 N NZ  . LYS A 1 22 ? -6.022  -5.137  -6.323  1.00 74.95 22 A 1 
ATOM 178 N N   . ASN A 1 23 ? -2.148  -10.433 -7.951  1.00 89.90 23 A 1 
ATOM 179 C CA  . ASN A 1 23 ? -2.773  -10.829 -9.200  1.00 89.24 23 A 1 
ATOM 180 C C   . ASN A 1 23 ? -4.143  -10.142 -9.324  1.00 88.24 23 A 1 
ATOM 181 O O   . ASN A 1 23 ? -5.119  -10.572 -8.712  1.00 85.21 23 A 1 
ATOM 182 C CB  . ASN A 1 23 ? -2.840  -12.358 -9.252  1.00 87.44 23 A 1 
ATOM 183 C CG  . ASN A 1 23 ? -3.388  -12.849 -10.579 1.00 83.45 23 A 1 
ATOM 184 O OD1 . ASN A 1 23 ? -3.873  -12.099 -11.402 1.00 75.04 23 A 1 
ATOM 185 N ND2 . ASN A 1 23 ? -3.333  -14.139 -10.816 1.00 75.67 23 A 1 
ATOM 186 N N   . LYS A 1 24 ? -4.218  -9.089  -10.139 1.00 87.25 24 A 1 
ATOM 187 C CA  . LYS A 1 24 ? -5.467  -8.345  -10.370 1.00 85.98 24 A 1 
ATOM 188 C C   . LYS A 1 24 ? -6.547  -9.173  -11.067 1.00 86.10 24 A 1 
ATOM 189 O O   . LYS A 1 24 ? -7.722  -8.839  -10.949 1.00 81.86 24 A 1 
ATOM 190 C CB  . LYS A 1 24 ? -5.190  -7.070  -11.171 1.00 82.69 24 A 1 
ATOM 191 C CG  . LYS A 1 24 ? -4.452  -6.027  -10.334 1.00 73.44 24 A 1 
ATOM 192 C CD  . LYS A 1 24 ? -4.278  -4.734  -11.110 1.00 70.59 24 A 1 
ATOM 193 C CE  . LYS A 1 24 ? -3.497  -3.731  -10.265 1.00 62.46 24 A 1 
ATOM 194 N NZ  . LYS A 1 24 ? -3.157  -2.523  -11.034 1.00 55.48 24 A 1 
ATOM 195 N N   . LYS A 1 25 ? -6.175  -10.266 -11.750 1.00 86.34 25 A 1 
ATOM 196 C CA  . LYS A 1 25 ? -7.153  -11.156 -12.389 1.00 86.15 25 A 1 
ATOM 197 C C   . LYS A 1 25 ? -7.993  -11.917 -11.362 1.00 86.60 25 A 1 
ATOM 198 O O   . LYS A 1 25 ? -9.172  -12.152 -11.598 1.00 83.15 25 A 1 
ATOM 199 C CB  . LYS A 1 25 ? -6.435  -12.138 -13.322 1.00 84.92 25 A 1 
ATOM 200 C CG  . LYS A 1 25 ? -5.636  -11.475 -14.457 1.00 76.14 25 A 1 
ATOM 201 C CD  . LYS A 1 25 ? -6.539  -10.723 -15.435 1.00 73.07 25 A 1 
ATOM 202 C CE  . LYS A 1 25 ? -5.720  -10.197 -16.607 1.00 64.63 25 A 1 
ATOM 203 N NZ  . LYS A 1 25 ? -6.552  -9.522  -17.627 1.00 56.45 25 A 1 
ATOM 204 N N   . THR A 1 26 ? -7.398  -12.297 -10.227 1.00 86.36 26 A 1 
ATOM 205 C CA  . THR A 1 26 ? -8.082  -13.031 -9.149  1.00 84.94 26 A 1 
ATOM 206 C C   . THR A 1 26 ? -8.570  -12.113 -8.026  1.00 85.08 26 A 1 
ATOM 207 O O   . THR A 1 26 ? -9.537  -12.446 -7.344  1.00 81.40 26 A 1 
ATOM 208 C CB  . THR A 1 26 ? -7.177  -14.119 -8.557  1.00 83.34 26 A 1 
ATOM 209 O OG1 . THR A 1 26 ? -5.974  -13.568 -8.077  1.00 77.02 26 A 1 
ATOM 210 C CG2 . THR A 1 26 ? -6.818  -15.186 -9.583  1.00 74.78 26 A 1 
ATOM 211 N N   . LYS A 1 27 ? -7.917  -10.961 -7.829  1.00 84.25 27 A 1 
ATOM 212 C CA  . LYS A 1 27 ? -8.273  -9.961  -6.818  1.00 83.71 27 A 1 
ATOM 213 C C   . LYS A 1 27 ? -8.343  -8.561  -7.448  1.00 84.72 27 A 1 
ATOM 214 O O   . LYS A 1 27 ? -7.420  -7.765  -7.274  1.00 80.63 27 A 1 
ATOM 215 C CB  . LYS A 1 27 ? -7.310  -10.026 -5.625  1.00 81.28 27 A 1 
ATOM 216 C CG  . LYS A 1 27 ? -7.362  -11.381 -4.901  1.00 74.03 27 A 1 
ATOM 217 C CD  . LYS A 1 27 ? -6.871  -11.270 -3.462  1.00 70.04 27 A 1 
ATOM 218 C CE  . LYS A 1 27 ? -7.016  -12.618 -2.756  1.00 62.85 27 A 1 
ATOM 219 N NZ  . LYS A 1 27 ? -6.926  -12.493 -1.277  1.00 56.15 27 A 1 
ATOM 220 N N   . PRO A 1 28 ? -9.426  -8.252  -8.187  1.00 85.04 28 A 1 
ATOM 221 C CA  . PRO A 1 28 ? -9.589  -6.945  -8.824  1.00 84.40 28 A 1 
ATOM 222 C C   . PRO A 1 28 ? -9.852  -5.823  -7.815  1.00 85.70 28 A 1 
ATOM 223 O O   . PRO A 1 28 ? -9.513  -4.668  -8.082  1.00 81.93 28 A 1 
ATOM 224 C CB  . PRO A 1 28 ? -10.764 -7.136  -9.788  1.00 82.54 28 A 1 
ATOM 225 C CG  . PRO A 1 28 ? -11.608 -8.235  -9.144  1.00 81.74 28 A 1 
ATOM 226 C CD  . PRO A 1 28 ? -10.561 -9.125  -8.492  1.00 84.79 28 A 1 
ATOM 227 N N   . ALA A 1 29 ? -10.433 -6.155  -6.648  1.00 88.97 29 A 1 
ATOM 228 C CA  . ALA A 1 29 ? -10.677 -5.186  -5.591  1.00 89.20 29 A 1 
ATOM 229 C C   . ALA A 1 29 ? -9.357  -4.615  -5.045  1.00 90.79 29 A 1 
ATOM 230 O O   . ALA A 1 29 ? -8.338  -5.309  -4.972  1.00 88.28 29 A 1 
ATOM 231 C CB  . ALA A 1 29 ? -11.516 -5.838  -4.488  1.00 86.87 29 A 1 
ATOM 232 N N   . LYS A 1 30 ? -9.383  -3.339  -4.642  1.00 91.87 30 A 1 
ATOM 233 C CA  . LYS A 1 30 ? -8.252  -2.703  -3.974  1.00 92.57 30 A 1 
ATOM 234 C C   . LYS A 1 30 ? -8.015  -3.342  -2.610  1.00 92.83 30 A 1 
ATOM 235 O O   . LYS A 1 30 ? -8.957  -3.740  -1.929  1.00 90.24 30 A 1 
ATOM 236 C CB  . LYS A 1 30 ? -8.461  -1.196  -3.846  1.00 91.22 30 A 1 
ATOM 237 C CG  . LYS A 1 30 ? -8.415  -0.490  -5.205  1.00 86.00 30 A 1 
ATOM 238 C CD  . LYS A 1 30 ? -8.465  1.022   -5.006  1.00 82.48 30 A 1 
ATOM 239 C CE  . LYS A 1 30 ? -8.328  1.746   -6.342  1.00 75.17 30 A 1 
ATOM 240 N NZ  . LYS A 1 30 ? -8.272  3.212   -6.154  1.00 67.57 30 A 1 
ATOM 241 N N   . LEU A 1 31 ? -6.745  -3.432  -2.230  1.00 92.59 31 A 1 
ATOM 242 C CA  . LEU A 1 31 ? -6.361  -3.944  -0.925  1.00 92.64 31 A 1 
ATOM 243 C C   . LEU A 1 31 ? -6.346  -2.808  0.095   1.00 93.83 31 A 1 
ATOM 244 O O   . LEU A 1 31 ? -5.945  -1.689  -0.209  1.00 92.49 31 A 1 
ATOM 245 C CB  . LEU A 1 31 ? -4.995  -4.639  -1.012  1.00 90.38 31 A 1 
ATOM 246 C CG  . LEU A 1 31 ? -4.936  -5.842  -1.969  1.00 83.46 31 A 1 
ATOM 247 C CD1 . LEU A 1 31 ? -3.518  -6.407  -1.988  1.00 79.03 31 A 1 
ATOM 248 C CD2 . LEU A 1 31 ? -5.902  -6.954  -1.560  1.00 77.26 31 A 1 
ATOM 249 N N   . GLU A 1 32 ? -6.729  -3.134  1.329   1.00 94.59 32 A 1 
ATOM 250 C CA  . GLU A 1 32 ? -6.543  -2.273  2.491   1.00 94.47 32 A 1 
ATOM 251 C C   . GLU A 1 32 ? -5.952  -3.109  3.623   1.00 94.25 32 A 1 
ATOM 252 O O   . GLU A 1 32 ? -6.403  -4.223  3.891   1.00 91.18 32 A 1 
ATOM 253 C CB  . GLU A 1 32 ? -7.845  -1.588  2.921   1.00 92.40 32 A 1 
ATOM 254 C CG  . GLU A 1 32 ? -8.482  -0.766  1.792   1.00 80.52 32 A 1 
ATOM 255 C CD  . GLU A 1 32 ? -9.522  0.257   2.256   1.00 78.07 32 A 1 
ATOM 256 O OE1 . GLU A 1 32 ? -9.968  1.064   1.406   1.00 72.79 32 A 1 
ATOM 257 O OE2 . GLU A 1 32 ? -9.833  0.348   3.453   1.00 71.58 32 A 1 
ATOM 258 N N   . MET A 1 33 ? -4.900  -2.599  4.268   1.00 94.65 33 A 1 
ATOM 259 C CA  . MET A 1 33 ? -4.210  -3.303  5.343   1.00 94.09 33 A 1 
ATOM 260 C C   . MET A 1 33 ? -3.779  -2.316  6.416   1.00 95.32 33 A 1 
ATOM 261 O O   . MET A 1 33 ? -3.309  -1.228  6.110   1.00 93.74 33 A 1 
ATOM 262 C CB  . MET A 1 33 ? -2.978  -4.051  4.803   1.00 90.28 33 A 1 
ATOM 263 C CG  . MET A 1 33 ? -3.332  -5.173  3.828   1.00 78.77 33 A 1 
ATOM 264 S SD  . MET A 1 33 ? -1.896  -6.160  3.325   1.00 74.55 33 A 1 
ATOM 265 C CE  . MET A 1 33 ? -2.705  -7.319  2.209   1.00 65.97 33 A 1 
ATOM 266 N N   . LYS A 1 34 ? -3.866  -2.737  7.678   1.00 95.93 34 A 1 
ATOM 267 C CA  . LYS A 1 34 ? -3.265  -1.986  8.776   1.00 96.22 34 A 1 
ATOM 268 C C   . LYS A 1 34 ? -1.785  -2.354  8.886   1.00 96.21 34 A 1 
ATOM 269 O O   . LYS A 1 34 ? -1.448  -3.526  9.060   1.00 93.53 34 A 1 
ATOM 270 C CB  . LYS A 1 34 ? -4.060  -2.231  10.064  1.00 95.44 34 A 1 
ATOM 271 C CG  . LYS A 1 34 ? -3.692  -1.219  11.158  1.00 87.19 34 A 1 
ATOM 272 C CD  . LYS A 1 34 ? -4.613  -1.380  12.369  1.00 86.19 34 A 1 
ATOM 273 C CE  . LYS A 1 34 ? -4.292  -0.323  13.425  1.00 78.42 34 A 1 
ATOM 274 N NZ  . LYS A 1 34 ? -5.199  -0.404  14.594  1.00 70.78 34 A 1 
ATOM 275 N N   . LYS A 1 35 ? -0.892  -1.371  8.768   1.00 96.70 35 A 1 
ATOM 276 C CA  . LYS A 1 35 ? 0.564   -1.540  8.828   1.00 96.59 35 A 1 
ATOM 277 C C   . LYS A 1 35 ? 1.200   -0.434  9.664   1.00 96.91 35 A 1 
ATOM 278 O O   . LYS A 1 35 ? 0.577   0.597   9.916   1.00 95.25 35 A 1 
ATOM 279 C CB  . LYS A 1 35 ? 1.154   -1.560  7.405   1.00 95.07 35 A 1 
ATOM 280 C CG  . LYS A 1 35 ? 0.795   -2.800  6.567   1.00 90.17 35 A 1 
ATOM 281 C CD  . LYS A 1 35 ? 1.419   -4.073  7.126   1.00 85.73 35 A 1 
ATOM 282 C CE  . LYS A 1 35 ? 1.115   -5.257  6.207   1.00 80.37 35 A 1 
ATOM 283 N NZ  . LYS A 1 35 ? 1.709   -6.506  6.708   1.00 72.06 35 A 1 
ATOM 284 N N   . PHE A 1 36 ? 2.443   -0.674  10.105  1.00 96.75 36 A 1 
ATOM 285 C CA  . PHE A 1 36 ? 3.220   0.336   10.806  1.00 97.22 36 A 1 
ATOM 286 C C   . PHE A 1 36 ? 3.728   1.395   9.831   1.00 97.42 36 A 1 
ATOM 287 O O   . PHE A 1 36 ? 4.385   1.068   8.841   1.00 96.64 36 A 1 
ATOM 288 C CB  . PHE A 1 36 ? 4.372   -0.337  11.549  1.00 96.78 36 A 1 
ATOM 289 C CG  . PHE A 1 36 ? 5.180   0.625   12.391  1.00 96.77 36 A 1 
ATOM 290 C CD1 . PHE A 1 36 ? 6.430   1.083   11.951  1.00 95.46 36 A 1 
ATOM 291 C CD2 . PHE A 1 36 ? 4.672   1.072   13.619  1.00 95.31 36 A 1 
ATOM 292 C CE1 . PHE A 1 36 ? 7.176   1.961   12.747  1.00 93.91 36 A 1 
ATOM 293 C CE2 . PHE A 1 36 ? 5.416   1.951   14.414  1.00 94.05 36 A 1 
ATOM 294 C CZ  . PHE A 1 36 ? 6.673   2.389   13.981  1.00 94.21 36 A 1 
ATOM 295 N N   . ASP A 1 37 ? 3.434   2.655   10.104  1.00 97.12 37 A 1 
ATOM 296 C CA  . ASP A 1 37 ? 3.975   3.806   9.389   1.00 97.48 37 A 1 
ATOM 297 C C   . ASP A 1 37 ? 5.219   4.312   10.132  1.00 97.45 37 A 1 
ATOM 298 O O   . ASP A 1 37 ? 5.092   4.841   11.239  1.00 96.36 37 A 1 
ATOM 299 C CB  . ASP A 1 37 ? 2.898   4.886   9.260   1.00 96.81 37 A 1 
ATOM 300 C CG  . ASP A 1 37 ? 3.331   6.045   8.358   1.00 95.94 37 A 1 
ATOM 301 O OD1 . ASP A 1 37 ? 4.528   6.386   8.330   1.00 92.67 37 A 1 
ATOM 302 O OD2 . ASP A 1 37 ? 2.449   6.611   7.687   1.00 91.60 37 A 1 
ATOM 303 N N   . PRO A 1 38 ? 6.428   4.156   9.550   1.00 97.22 38 A 1 
ATOM 304 C CA  . PRO A 1 38 ? 7.664   4.601   10.191  1.00 96.58 38 A 1 
ATOM 305 C C   . PRO A 1 38 ? 7.777   6.122   10.276  1.00 96.59 38 A 1 
ATOM 306 O O   . PRO A 1 38 ? 8.440   6.626   11.180  1.00 94.71 38 A 1 
ATOM 307 C CB  . PRO A 1 38 ? 8.786   3.996   9.341   1.00 95.54 38 A 1 
ATOM 308 C CG  . PRO A 1 38 ? 8.167   3.865   7.958   1.00 93.76 38 A 1 
ATOM 309 C CD  . PRO A 1 38 ? 6.707   3.540   8.259   1.00 96.62 38 A 1 
ATOM 310 N N   . THR A 1 39 ? 7.121   6.863   9.382   1.00 96.18 39 A 1 
ATOM 311 C CA  . THR A 1 39 ? 7.112   8.333   9.408   1.00 95.61 39 A 1 
ATOM 312 C C   . THR A 1 39 ? 6.339   8.844   10.626  1.00 95.70 39 A 1 
ATOM 313 O O   . THR A 1 39 ? 6.811   9.725   11.343  1.00 93.01 39 A 1 
ATOM 314 C CB  . THR A 1 39 ? 6.489   8.900   8.119   1.00 94.07 39 A 1 
ATOM 315 O OG1 . THR A 1 39 ? 7.134   8.354   6.986   1.00 84.18 39 A 1 
ATOM 316 C CG2 . THR A 1 39 ? 6.632   10.416  8.019   1.00 82.53 39 A 1 
ATOM 317 N N   . LEU A 1 40 ? 5.174   8.250   10.886  1.00 96.72 40 A 1 
ATOM 318 C CA  . LEU A 1 40 ? 4.316   8.626   12.011  1.00 96.21 40 A 1 
ATOM 319 C C   . LEU A 1 40 ? 4.573   7.783   13.270  1.00 96.33 40 A 1 
ATOM 320 O O   . LEU A 1 40 ? 4.049   8.099   14.337  1.00 94.28 40 A 1 
ATOM 321 C CB  . LEU A 1 40 ? 2.852   8.521   11.569  1.00 95.29 40 A 1 
ATOM 322 C CG  . LEU A 1 40 ? 2.481   9.409   10.364  1.00 92.12 40 A 1 
ATOM 323 C CD1 . LEU A 1 40 ? 1.015   9.196   10.031  1.00 87.32 40 A 1 
ATOM 324 C CD2 . LEU A 1 40 ? 2.704   10.897  10.644  1.00 86.80 40 A 1 
ATOM 325 N N   . ARG A 1 41 ? 5.367   6.705   13.144  1.00 96.72 41 A 1 
ATOM 326 C CA  . ARG A 1 41 ? 5.684   5.741   14.218  1.00 96.73 41 A 1 
ATOM 327 C C   . ARG A 1 41 ? 4.433   5.142   14.880  1.00 96.73 41 A 1 
ATOM 328 O O   . ARG A 1 41 ? 4.400   4.918   16.083  1.00 94.64 41 A 1 
ATOM 329 C CB  . ARG A 1 41 ? 6.661   6.365   15.229  1.00 96.00 41 A 1 
ATOM 330 C CG  . ARG A 1 41 ? 7.986   6.809   14.576  1.00 91.24 41 A 1 
ATOM 331 C CD  . ARG A 1 41 ? 8.931   7.399   15.626  1.00 86.24 41 A 1 
ATOM 332 N NE  . ARG A 1 41 ? 8.453   8.708   16.092  1.00 77.07 41 A 1 
ATOM 333 C CZ  . ARG A 1 41 ? 9.006   9.441   17.058  1.00 70.48 41 A 1 
ATOM 334 N NH1 . ARG A 1 41 ? 10.062  9.024   17.705  1.00 64.91 41 A 1 
ATOM 335 N NH2 . ARG A 1 41 ? 8.504   10.605  17.365  1.00 61.69 41 A 1 
ATOM 336 N N   . LYS A 1 42 ? 3.393   4.886   14.088  1.00 96.79 42 A 1 
ATOM 337 C CA  . LYS A 1 42 ? 2.147   4.271   14.542  1.00 96.59 42 A 1 
ATOM 338 C C   . LYS A 1 42 ? 1.553   3.360   13.470  1.00 96.95 42 A 1 
ATOM 339 O O   . LYS A 1 42 ? 1.902   3.457   12.296  1.00 95.13 42 A 1 
ATOM 340 C CB  . LYS A 1 42 ? 1.155   5.358   15.007  1.00 94.10 42 A 1 
ATOM 341 C CG  . LYS A 1 42 ? 0.660   6.275   13.878  1.00 84.26 42 A 1 
ATOM 342 C CD  . LYS A 1 42 ? -0.301  7.357   14.396  1.00 84.94 42 A 1 
ATOM 343 C CE  . LYS A 1 42 ? -0.821  8.192   13.225  1.00 73.90 42 A 1 
ATOM 344 N NZ  . LYS A 1 42 ? -1.813  9.225   13.628  1.00 67.10 42 A 1 
ATOM 345 N N   . HIS A 1 43 ? 0.657   2.472   13.866  1.00 97.69 43 A 1 
ATOM 346 C CA  . HIS A 1 43 ? -0.084  1.647   12.920  1.00 97.70 43 A 1 
ATOM 347 C C   . HIS A 1 43 ? -1.242  2.441   12.317  1.00 97.50 43 A 1 
ATOM 348 O O   . HIS A 1 43 ? -2.098  2.949   13.037  1.00 95.39 43 A 1 
ATOM 349 C CB  . HIS A 1 43 ? -0.586  0.376   13.596  1.00 96.91 43 A 1 
ATOM 350 C CG  . HIS A 1 43 ? 0.519   -0.582  13.926  1.00 95.73 43 A 1 
ATOM 351 N ND1 . HIS A 1 43 ? 1.333   -0.531  15.038  1.00 85.52 43 A 1 
ATOM 352 C CD2 . HIS A 1 43 ? 0.916   -1.664  13.193  1.00 84.62 43 A 1 
ATOM 353 C CE1 . HIS A 1 43 ? 2.191   -1.558  14.968  1.00 86.61 43 A 1 
ATOM 354 N NE2 . HIS A 1 43 ? 1.965   -2.274  13.865  1.00 88.29 43 A 1 
ATOM 355 N N   . VAL A 1 44 ? -1.279  2.503   10.979  1.00 97.13 44 A 1 
ATOM 356 C CA  . VAL A 1 44 ? -2.303  3.204   10.199  1.00 96.94 44 A 1 
ATOM 357 C C   . VAL A 1 44 ? -2.833  2.301   9.090   1.00 97.24 44 A 1 
ATOM 358 O O   . VAL A 1 44 ? -2.249  1.258   8.782   1.00 96.14 44 A 1 
ATOM 359 C CB  . VAL A 1 44 ? -1.771  4.535   9.625   1.00 95.53 44 A 1 
ATOM 360 C CG1 . VAL A 1 44 ? -1.329  5.479   10.741  1.00 89.53 44 A 1 
ATOM 361 C CG2 . VAL A 1 44 ? -0.614  4.333   8.653   1.00 90.63 44 A 1 
ATOM 362 N N   . VAL A 1 45 ? -3.948  2.680   8.481   1.00 97.13 45 A 1 
ATOM 363 C CA  . VAL A 1 45 ? -4.493  1.973   7.323   1.00 97.04 45 A 1 
ATOM 364 C C   . VAL A 1 45 ? -3.697  2.355   6.078   1.00 97.34 45 A 1 
ATOM 365 O O   . VAL A 1 45 ? -3.479  3.532   5.796   1.00 96.72 45 A 1 
ATOM 366 C CB  . VAL A 1 45 ? -5.995  2.246   7.143   1.00 96.06 45 A 1 
ATOM 367 C CG1 . VAL A 1 45 ? -6.561  1.514   5.925   1.00 92.58 45 A 1 
ATOM 368 C CG2 . VAL A 1 45 ? -6.781  1.779   8.370   1.00 93.05 45 A 1 
ATOM 369 N N   . TYR A 1 46 ? -3.266  1.343   5.330   1.00 96.98 46 A 1 
ATOM 370 C CA  . TYR A 1 46 ? -2.632  1.482   4.029   1.00 97.16 46 A 1 
ATOM 371 C C   . TYR A 1 46 ? -3.611  1.046   2.949   1.00 96.68 46 A 1 
ATOM 372 O O   . TYR A 1 46 ? -4.195  -0.030  3.042   1.00 95.48 46 A 1 
ATOM 373 C CB  . TYR A 1 46 ? -1.350  0.649   3.963   1.00 97.23 46 A 1 
ATOM 374 C CG  . TYR A 1 46 ? -0.168  1.299   4.635   1.00 97.43 46 A 1 
ATOM 375 C CD1 . TYR A 1 46 ? -0.143  1.501   6.026   1.00 96.34 46 A 1 
ATOM 376 C CD2 . TYR A 1 46 ? 0.920   1.733   3.859   1.00 96.37 46 A 1 
ATOM 377 C CE1 . TYR A 1 46 ? 0.941   2.139   6.630   1.00 95.53 46 A 1 
ATOM 378 C CE2 . TYR A 1 46 ? 2.009   2.368   4.458   1.00 95.56 46 A 1 
ATOM 379 C CZ  . TYR A 1 46 ? 2.016   2.574   5.843   1.00 96.27 46 A 1 
ATOM 380 O OH  . TYR A 1 46 ? 3.069   3.217   6.425   1.00 95.54 46 A 1 
ATOM 381 N N   . LYS A 1 47 ? -3.770  1.859   1.908   1.00 96.58 47 A 1 
ATOM 382 C CA  . LYS A 1 47 ? -4.654  1.592   0.774   1.00 96.32 47 A 1 
ATOM 383 C C   . LYS A 1 47 ? -3.846  1.339   -0.490  1.00 96.05 47 A 1 
ATOM 384 O O   . LYS A 1 47 ? -2.807  1.955   -0.711  1.00 94.44 47 A 1 
ATOM 385 C CB  . LYS A 1 47 ? -5.654  2.737   0.587   1.00 95.51 47 A 1 
ATOM 386 C CG  . LYS A 1 47 ? -6.524  2.935   1.833   1.00 91.28 47 A 1 
ATOM 387 C CD  . LYS A 1 47 ? -7.768  3.763   1.532   1.00 87.32 47 A 1 
ATOM 388 C CE  . LYS A 1 47 ? -8.618  3.869   2.800   1.00 78.81 47 A 1 
ATOM 389 N NZ  . LYS A 1 47 ? -10.053 3.611   2.543   1.00 69.48 47 A 1 
ATOM 390 N N   . GLU A 1 48 ? -4.339  0.435   -1.335  1.00 95.70 48 A 1 
ATOM 391 C CA  . GLU A 1 48 ? -3.706  0.155   -2.615  1.00 95.07 48 A 1 
ATOM 392 C C   . GLU A 1 48 ? -3.710  1.384   -3.528  1.00 94.32 48 A 1 
ATOM 393 O O   . GLU A 1 48 ? -4.751  1.991   -3.790  1.00 91.91 48 A 1 
ATOM 394 C CB  . GLU A 1 48 ? -4.410  -1.023  -3.288  1.00 93.52 48 A 1 
ATOM 395 C CG  . GLU A 1 48 ? -3.783  -1.366  -4.639  1.00 89.30 48 A 1 
ATOM 396 C CD  . GLU A 1 48 ? -4.531  -2.484  -5.348  1.00 86.87 48 A 1 
ATOM 397 O OE1 . GLU A 1 48 ? -4.485  -2.564  -6.590  1.00 81.89 48 A 1 
ATOM 398 O OE2 . GLU A 1 48 ? -5.171  -3.321  -4.691  1.00 80.92 48 A 1 
ATOM 399 N N   . ASP A 1 49 ? -2.539  1.673   -4.088  1.00 93.98 49 A 1 
ATOM 400 C CA  . ASP A 1 49 ? -2.350  2.687   -5.121  1.00 92.39 49 A 1 
ATOM 401 C C   . ASP A 1 49 ? -1.406  2.160   -6.214  1.00 91.04 49 A 1 
ATOM 402 O O   . ASP A 1 49 ? -0.693  1.163   -6.026  1.00 85.28 49 A 1 
ATOM 403 C CB  . ASP A 1 49 ? -1.835  3.973   -4.459  1.00 89.02 49 A 1 
ATOM 404 C CG  . ASP A 1 49 ? -2.132  5.243   -5.255  1.00 80.27 49 A 1 
ATOM 405 O OD1 . ASP A 1 49 ? -2.594  5.131   -6.412  1.00 73.00 49 A 1 
ATOM 406 O OD2 . ASP A 1 49 ? -1.891  6.333   -4.690  1.00 76.14 49 A 1 
ATOM 407 N N   . LYS A 1 50 ? -1.403  2.800   -7.381  1.00 90.60 50 A 1 
ATOM 408 C CA  . LYS A 1 50 ? -0.488  2.439   -8.463  1.00 89.12 50 A 1 
ATOM 409 C C   . LYS A 1 50 ? 0.911   2.959   -8.153  1.00 88.47 50 A 1 
ATOM 410 O O   . LYS A 1 50 ? 1.064   4.071   -7.649  1.00 82.88 50 A 1 
ATOM 411 C CB  . LYS A 1 50 ? -0.986  2.978   -9.804  1.00 85.62 50 A 1 
ATOM 412 C CG  . LYS A 1 50 ? -2.282  2.292   -10.263 1.00 74.66 50 A 1 
ATOM 413 C CD  . LYS A 1 50 ? -2.712  2.842   -11.621 1.00 71.59 50 A 1 
ATOM 414 C CE  . LYS A 1 50 ? -4.006  2.193   -12.100 1.00 62.63 50 A 1 
ATOM 415 N NZ  . LYS A 1 50 ? -4.475  2.792   -13.380 1.00 55.53 50 A 1 
ATOM 416 N N   . ILE A 1 51 ? 1.925   2.170   -8.503  1.00 88.32 51 A 1 
ATOM 417 C CA  . ILE A 1 51 ? 3.294   2.692   -8.548  1.00 85.68 51 A 1 
ATOM 418 C C   . ILE A 1 51 ? 3.381   3.629   -9.753  1.00 82.47 51 A 1 
ATOM 419 O O   . ILE A 1 51 ? 3.046   3.240   -10.870 1.00 73.47 51 A 1 
ATOM 420 C CB  . ILE A 1 51 ? 4.334   1.552   -8.567  1.00 83.61 51 A 1 
ATOM 421 C CG1 . ILE A 1 51 ? 4.199   0.749   -7.250  1.00 75.30 51 A 1 
ATOM 422 C CG2 . ILE A 1 51 ? 5.759   2.114   -8.727  1.00 71.69 51 A 1 
ATOM 423 C CD1 . ILE A 1 51 ? 5.187   -0.407  -7.119  1.00 68.72 51 A 1 
ATOM 424 N N   . LYS A 1 52 ? 3.771   4.865   -9.496  1.00 81.48 52 A 1 
ATOM 425 C CA  . LYS A 1 52 ? 4.074   5.891   -10.483 1.00 78.36 52 A 1 
ATOM 426 C C   . LYS A 1 52 ? 5.557   6.213   -10.410 1.00 73.53 52 A 1 
ATOM 427 O O   . LYS A 1 52 ? 6.130   6.107   -9.303  1.00 66.06 52 A 1 
ATOM 428 C CB  . LYS A 1 52 ? 3.224   7.151   -10.243 1.00 73.24 52 A 1 
ATOM 429 C CG  . LYS A 1 52 ? 1.721   6.933   -10.456 1.00 67.64 52 A 1 
ATOM 430 C CD  . LYS A 1 52 ? 0.979   8.264   -10.291 1.00 62.99 52 A 1 
ATOM 431 C CE  . LYS A 1 52 ? -0.516  8.100   -10.497 1.00 58.18 52 A 1 
ATOM 432 N NZ  . LYS A 1 52 ? -1.228  9.403   -10.369 1.00 52.20 52 A 1 
ATOM 433 O OXT . LYS A 1 52 ? 6.138   6.584   -11.471 1.00 59.34 52 A 1 
#
