# 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_sp-ring-3b
#
_entry.id sp-ring-3b
#
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 H8 N2 O3"   132.118 ASN y ASPARAGINE      C([C@@H](C(=O)O)N)C(=O)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 H10 N2 O3"  146.144 GLN y GLUTAMINE       C(CC(=O)N)[C@@H](C(=O)O)N        ? "L-PEPTIDE LINKING" 
"C5 H9 N O4"    147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N        ? "L-PEPTIDE LINKING" 
"C2 H5 N O2"    75.067  GLY y GLYCINE         C(C(=O)O)N                       ? "PEPTIDE LINKING"   
"C6 H10 N3 O2"  156.162 HIS y HISTIDINE       c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 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" 
"C6 H15 N2 O2"  147.195 LYS y LYSINE          C(CC[NH3+])C[C@@H](C(=O)O)N      ? "L-PEPTIDE LINKING" 
"C5 H11 N O2 S" 149.211 MET y METHIONINE      CSCC[C@@H](C(=O)O)N              ? "L-PEPTIDE LINKING" 
"C5 H9 N O2"    115.130 PRO y PROLINE         C1C[C@H](NC1)C(=O)O              ? "L-PEPTIDE LINKING" 
"C3 H7 N O3"    105.093 SER y SERINE          C([C@@H](C(=O)O)N)O              ? "L-PEPTIDE LINKING" 
"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 ASP 2  
1 n GLU 3  
1 n ASP 4  
1 n ILE 5  
1 n VAL 6  
1 n MET 7  
1 n THR 8  
1 n SER 9  
1 n THR 10 
1 n GLN 11 
1 n CYS 12 
1 n PRO 13 
1 n LEU 14 
1 n LEU 15 
1 n ASN 16 
1 n MET 17 
1 n THR 18 
1 n CYS 19 
1 n PRO 20 
1 n LEU 21 
1 n SER 22 
1 n GLY 23 
1 n LYS 24 
1 n PRO 25 
1 n VAL 26 
1 n THR 27 
1 n GLU 28 
1 n LEU 29 
1 n ALA 30 
1 n ASP 31 
1 n PRO 32 
1 n VAL 33 
1 n ARG 34 
1 n SER 35 
1 n MET 36 
1 n ASP 37 
1 n CYS 38 
1 n ARG 39 
1 n HIS 40 
1 n VAL 41 
1 n TYR 42 
1 n GLU 43 
1 n LYS 44 
1 n SER 45 
1 n GLY 46 
1 n ALA 47 
1 n GLU 48 
1 n VAL 49 
1 n ASN 50 
1 n CYS 51 
1 n ARG 52 
1 n ILE 53 
1 n ALA 54 
1 n LYS 55 
#
_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 @ 2026-06-18 12:20:52)"
_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 72.51
_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 56.18 1 1  
A ASP 2  2 55.14 1 2  
A GLU 3  2 53.25 1 3  
A ASP 4  2 52.53 1 4  
A ILE 5  2 50.49 1 5  
A VAL 6  2 50.36 1 6  
A MET 7  2 43.52 1 7  
A THR 8  2 48.56 1 8  
A SER 9  2 45.87 1 9  
A THR 10 2 48.99 1 10 
A GLN 11 2 46.86 1 11 
A CYS 12 2 54.70 1 12 
A PRO 13 2 64.67 1 13 
A LEU 14 2 70.32 1 14 
A LEU 15 2 77.03 1 15 
A ASN 16 2 83.18 1 16 
A MET 17 2 82.20 1 17 
A THR 18 2 88.07 1 18 
A CYS 19 2 87.49 1 19 
A PRO 20 2 87.14 1 20 
A LEU 21 2 83.45 1 21 
A SER 22 2 87.29 1 22 
A GLY 23 2 90.70 1 23 
A LYS 24 2 85.92 1 24 
A PRO 25 2 91.23 1 25 
A VAL 26 2 87.99 1 26 
A THR 27 2 86.78 1 27 
A GLU 28 2 86.71 1 28 
A LEU 29 2 88.98 1 29 
A ALA 30 2 89.41 1 30 
A ASP 31 2 84.56 1 31 
A PRO 32 2 88.69 1 32 
A VAL 33 2 85.99 1 33 
A ARG 34 2 74.78 1 34 
A SER 35 2 80.29 1 35 
A MET 36 2 72.03 1 36 
A ASP 37 2 73.00 1 37 
A CYS 38 2 81.05 1 38 
A ARG 39 2 71.70 1 39 
A HIS 40 2 84.34 1 40 
A VAL 41 2 87.56 1 41 
A TYR 42 2 84.30 1 42 
A GLU 43 2 82.64 1 43 
A LYS 44 2 79.84 1 44 
A SER 45 2 82.36 1 45 
A GLY 46 2 77.33 1 46 
A ALA 47 2 74.80 1 47 
A GLU 48 2 68.22 1 48 
A VAL 49 2 70.64 1 49 
A ASN 50 2 67.60 1 50 
A CYS 51 2 69.32 1 51 
A ARG 52 2 60.89 1 52 
A ILE 53 2 66.61 1 53 
A ALA 54 2 62.42 1 54 
A LYS 55 2 54.41 1 55 
#
_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 ASP . 2  A 2  
A 3  1 n GLU . 3  A 3  
A 4  1 n ASP . 4  A 4  
A 5  1 n ILE . 5  A 5  
A 6  1 n VAL . 6  A 6  
A 7  1 n MET . 7  A 7  
A 8  1 n THR . 8  A 8  
A 9  1 n SER . 9  A 9  
A 10 1 n THR . 10 A 10 
A 11 1 n GLN . 11 A 11 
A 12 1 n CYS . 12 A 12 
A 13 1 n PRO . 13 A 13 
A 14 1 n LEU . 14 A 14 
A 15 1 n LEU . 15 A 15 
A 16 1 n ASN . 16 A 16 
A 17 1 n MET . 17 A 17 
A 18 1 n THR . 18 A 18 
A 19 1 n CYS . 19 A 19 
A 20 1 n PRO . 20 A 20 
A 21 1 n LEU . 21 A 21 
A 22 1 n SER . 22 A 22 
A 23 1 n GLY . 23 A 23 
A 24 1 n LYS . 24 A 24 
A 25 1 n PRO . 25 A 25 
A 26 1 n VAL . 26 A 26 
A 27 1 n THR . 27 A 27 
A 28 1 n GLU . 28 A 28 
A 29 1 n LEU . 29 A 29 
A 30 1 n ALA . 30 A 30 
A 31 1 n ASP . 31 A 31 
A 32 1 n PRO . 32 A 32 
A 33 1 n VAL . 33 A 33 
A 34 1 n ARG . 34 A 34 
A 35 1 n SER . 35 A 35 
A 36 1 n MET . 36 A 36 
A 37 1 n ASP . 37 A 37 
A 38 1 n CYS . 38 A 38 
A 39 1 n ARG . 39 A 39 
A 40 1 n HIS . 40 A 40 
A 41 1 n VAL . 41 A 41 
A 42 1 n TYR . 42 A 42 
A 43 1 n GLU . 43 A 43 
A 44 1 n LYS . 44 A 44 
A 45 1 n SER . 45 A 45 
A 46 1 n GLY . 46 A 46 
A 47 1 n ALA . 47 A 47 
A 48 1 n GLU . 48 A 48 
A 49 1 n VAL . 49 A 49 
A 50 1 n ASN . 50 A 50 
A 51 1 n CYS . 51 A 51 
A 52 1 n ARG . 52 A 52 
A 53 1 n ILE . 53 A 53 
A 54 1 n ALA . 54 A 54 
A 55 1 n LYS . 55 A 55 
#
_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  ? -28.528 13.973  18.785  1.00 48.87 1  A 1 
ATOM 2   C CA  . ASP A 1 1  ? -27.130 13.517  18.753  1.00 62.07 1  A 1 
ATOM 3   C C   . ASP A 1 1  ? -26.871 12.991  17.349  1.00 65.62 1  A 1 
ATOM 4   O O   . ASP A 1 1  ? -27.258 11.872  17.042  1.00 61.23 1  A 1 
ATOM 5   C CB  . ASP A 1 1  ? -26.880 12.476  19.855  1.00 59.22 1  A 1 
ATOM 6   C CG  . ASP A 1 1  ? -25.646 12.842  20.691  1.00 51.49 1  A 1 
ATOM 7   O OD1 . ASP A 1 1  ? -24.704 12.041  20.744  1.00 48.81 1  A 1 
ATOM 8   O OD2 . ASP A 1 1  ? -25.704 13.958  21.272  1.00 52.16 1  A 1 
ATOM 9   N N   . ASP A 1 2  ? -26.388 13.861  16.468  1.00 52.24 2  A 1 
ATOM 10  C CA  . ASP A 1 2  ? -26.108 13.536  15.070  1.00 60.95 2  A 1 
ATOM 11  C C   . ASP A 1 2  ? -24.668 13.007  15.004  1.00 62.24 2  A 1 
ATOM 12  O O   . ASP A 1 2  ? -23.708 13.771  14.916  1.00 59.52 2  A 1 
ATOM 13  C CB  . ASP A 1 2  ? -26.343 14.781  14.185  1.00 58.94 2  A 1 
ATOM 14  C CG  . ASP A 1 2  ? -27.608 14.665  13.323  1.00 50.61 2  A 1 
ATOM 15  O OD1 . ASP A 1 2  ? -27.463 14.345  12.122  1.00 46.81 2  A 1 
ATOM 16  O OD2 . ASP A 1 2  ? -28.704 14.913  13.867  1.00 49.80 2  A 1 
ATOM 17  N N   . GLU A 1 3  ? -24.514 11.690  15.115  1.00 53.02 3  A 1 
ATOM 18  C CA  . GLU A 1 3  ? -23.242 11.052  14.786  1.00 58.40 3  A 1 
ATOM 19  C C   . GLU A 1 3  ? -23.125 10.978  13.260  1.00 60.59 3  A 1 
ATOM 20  O O   . GLU A 1 3  ? -23.366 9.953   12.630  1.00 56.87 3  A 1 
ATOM 21  C CB  . GLU A 1 3  ? -23.077 9.685   15.472  1.00 57.44 3  A 1 
ATOM 22  C CG  . GLU A 1 3  ? -22.936 9.802   16.994  1.00 51.41 3  A 1 
ATOM 23  C CD  . GLU A 1 3  ? -22.421 8.493   17.619  1.00 49.54 3  A 1 
ATOM 24  O OE1 . GLU A 1 3  ? -21.214 8.412   17.922  1.00 45.42 3  A 1 
ATOM 25  O OE2 . GLU A 1 3  ? -23.244 7.562   17.795  1.00 46.57 3  A 1 
ATOM 26  N N   . ASP A 1 4  ? -22.782 12.118  12.660  1.00 50.30 4  A 1 
ATOM 27  C CA  . ASP A 1 4  ? -22.351 12.197  11.273  1.00 56.66 4  A 1 
ATOM 28  C C   . ASP A 1 4  ? -21.053 11.383  11.152  1.00 56.70 4  A 1 
ATOM 29  O O   . ASP A 1 4  ? -19.941 11.862  11.395  1.00 56.62 4  A 1 
ATOM 30  C CB  . ASP A 1 4  ? -22.201 13.672  10.851  1.00 56.36 4  A 1 
ATOM 31  C CG  . ASP A 1 4  ? -22.285 13.852  9.329   1.00 49.73 4  A 1 
ATOM 32  O OD1 . ASP A 1 4  ? -21.234 13.754  8.664   1.00 45.47 4  A 1 
ATOM 33  O OD2 . ASP A 1 4  ? -23.407 14.111  8.844   1.00 48.43 4  A 1 
ATOM 34  N N   . ILE A 1 5  ? -21.229 10.085  10.836  1.00 48.97 5  A 1 
ATOM 35  C CA  . ILE A 1 5  ? -20.104 9.214   10.510  1.00 53.11 5  A 1 
ATOM 36  C C   . ILE A 1 5  ? -19.569 9.676   9.160   1.00 51.48 5  A 1 
ATOM 37  O O   . ILE A 1 5  ? -19.859 9.103   8.111   1.00 50.70 5  A 1 
ATOM 38  C CB  . ILE A 1 5  ? -20.483 7.711   10.530  1.00 53.38 5  A 1 
ATOM 39  C CG1 . ILE A 1 5  ? -21.069 7.301   11.901  1.00 49.14 5  A 1 
ATOM 40  C CG2 . ILE A 1 5  ? -19.245 6.856   10.208  1.00 49.58 5  A 1 
ATOM 41  C CD1 . ILE A 1 5  ? -21.607 5.864   11.941  1.00 47.54 5  A 1 
ATOM 42  N N   . VAL A 1 6  ? -18.792 10.749  9.195   1.00 48.40 6  A 1 
ATOM 43  C CA  . VAL A 1 6  ? -17.986 11.148  8.055   1.00 53.43 6  A 1 
ATOM 44  C C   . VAL A 1 6  ? -16.923 10.074  7.853   1.00 53.02 6  A 1 
ATOM 45  O O   . VAL A 1 6  ? -15.815 10.125  8.380   1.00 52.19 6  A 1 
ATOM 46  C CB  . VAL A 1 6  ? -17.471 12.602  8.177   1.00 52.88 6  A 1 
ATOM 47  C CG1 . VAL A 1 6  ? -16.399 12.831  9.230   1.00 45.13 6  A 1 
ATOM 48  C CG2 . VAL A 1 6  ? -16.945 13.102  6.827   1.00 47.45 6  A 1 
ATOM 49  N N   . MET A 1 7  ? -17.302 9.048   7.076   1.00 42.89 7  A 1 
ATOM 50  C CA  . MET A 1 7  ? -16.329 8.166   6.456   1.00 46.94 7  A 1 
ATOM 51  C C   . MET A 1 7  ? -15.541 8.990   5.438   1.00 46.24 7  A 1 
ATOM 52  O O   . MET A 1 7  ? -15.755 8.924   4.233   1.00 45.47 7  A 1 
ATOM 53  C CB  . MET A 1 7  ? -17.000 6.942   5.812   1.00 46.52 7  A 1 
ATOM 54  C CG  . MET A 1 7  ? -17.575 5.982   6.857   1.00 42.22 7  A 1 
ATOM 55  S SD  . MET A 1 7  ? -17.855 4.319   6.196   1.00 40.12 7  A 1 
ATOM 56  C CE  . MET A 1 7  ? -18.562 3.525   7.655   1.00 37.75 7  A 1 
ATOM 57  N N   . THR A 1 8  ? -14.625 9.799   5.948   1.00 48.61 8  A 1 
ATOM 58  C CA  . THR A 1 8  ? -13.520 10.313  5.156   1.00 51.79 8  A 1 
ATOM 59  C C   . THR A 1 8  ? -12.654 9.117   4.793   1.00 51.68 8  A 1 
ATOM 60  O O   . THR A 1 8  ? -11.627 8.836   5.404   1.00 49.14 8  A 1 
ATOM 61  C CB  . THR A 1 8  ? -12.726 11.418  5.872   1.00 49.92 8  A 1 
ATOM 62  O OG1 . THR A 1 8  ? -12.642 11.197  7.260   1.00 44.15 8  A 1 
ATOM 63  C CG2 . THR A 1 8  ? -13.373 12.784  5.680   1.00 44.65 8  A 1 
ATOM 64  N N   . SER A 1 9  ? -13.111 8.382   3.757   1.00 44.06 9  A 1 
ATOM 65  C CA  . SER A 1 9  ? -12.215 7.610   2.917   1.00 48.16 9  A 1 
ATOM 66  C C   . SER A 1 9  ? -11.280 8.626   2.272   1.00 48.63 9  A 1 
ATOM 67  O O   . SER A 1 9  ? -11.463 9.057   1.140   1.00 47.13 9  A 1 
ATOM 68  C CB  . SER A 1 9  ? -12.995 6.799   1.885   1.00 46.18 9  A 1 
ATOM 69  O OG  . SER A 1 9  ? -12.102 5.992   1.150   1.00 41.05 9  A 1 
ATOM 70  N N   . THR A 1 10 ? -10.338 9.103   3.066   1.00 49.69 10 A 1 
ATOM 71  C CA  . THR A 1 10 ? -9.235  9.911   2.596   1.00 51.52 10 A 1 
ATOM 72  C C   . THR A 1 10 ? -8.494  8.975   1.670   1.00 52.16 10 A 1 
ATOM 73  O O   . THR A 1 10 ? -7.716  8.132   2.110   1.00 50.29 10 A 1 
ATOM 74  C CB  . THR A 1 10 ? -8.352  10.406  3.748   1.00 49.96 10 A 1 
ATOM 75  O OG1 . THR A 1 10 ? -9.128  11.115  4.685   1.00 44.86 10 A 1 
ATOM 76  C CG2 . THR A 1 10 ? -7.271  11.368  3.269   1.00 44.42 10 A 1 
ATOM 77  N N   . GLN A 1 11 ? -8.809  9.087   0.374   1.00 50.10 11 A 1 
ATOM 78  C CA  . GLN A 1 11 ? -7.947  8.592   -0.682  1.00 51.97 11 A 1 
ATOM 79  C C   . GLN A 1 11 ? -6.607  9.281   -0.458  1.00 54.04 11 A 1 
ATOM 80  O O   . GLN A 1 11 ? -6.358  10.368  -0.962  1.00 51.96 11 A 1 
ATOM 81  C CB  . GLN A 1 11 ? -8.530  8.940   -2.060  1.00 49.69 11 A 1 
ATOM 82  C CG  . GLN A 1 11 ? -9.748  8.092   -2.437  1.00 44.72 11 A 1 
ATOM 83  C CD  . GLN A 1 11 ? -10.289 8.472   -3.822  1.00 41.22 11 A 1 
ATOM 84  O OE1 . GLN A 1 11 ? -10.249 9.611   -4.254  1.00 39.66 11 A 1 
ATOM 85  N NE2 . GLN A 1 11 ? -10.821 7.536   -4.569  1.00 38.36 11 A 1 
ATOM 86  N N   . CYS A 1 12 ? -5.802  8.706   0.429   1.00 56.79 12 A 1 
ATOM 87  C CA  . CYS A 1 12 ? -4.453  9.179   0.629   1.00 57.18 12 A 1 
ATOM 88  C C   . CYS A 1 12 ? -3.760  8.916   -0.703  1.00 58.66 12 A 1 
ATOM 89  O O   . CYS A 1 12 ? -3.614  7.740   -1.050  1.00 55.08 12 A 1 
ATOM 90  C CB  . CYS A 1 12 ? -3.812  8.431   1.799   1.00 53.79 12 A 1 
ATOM 91  S SG  . CYS A 1 12 ? -2.276  9.261   2.287   1.00 46.67 12 A 1 
ATOM 92  N N   . PRO A 1 13 ? -3.461  9.970   -1.487  1.00 65.42 13 A 1 
ATOM 93  C CA  . PRO A 1 13 ? -2.871  9.782   -2.792  1.00 66.19 13 A 1 
ATOM 94  C C   . PRO A 1 13 ? -1.600  8.966   -2.597  1.00 68.24 13 A 1 
ATOM 95  O O   . PRO A 1 13 ? -0.828  9.216   -1.663  1.00 66.07 13 A 1 
ATOM 96  C CB  . PRO A 1 13 ? -2.629  11.186  -3.353  1.00 62.45 13 A 1 
ATOM 97  C CG  . PRO A 1 13 ? -2.598  12.077  -2.116  1.00 61.04 13 A 1 
ATOM 98  C CD  . PRO A 1 13 ? -3.538  11.381  -1.149  1.00 63.25 13 A 1 
ATOM 99  N N   . LEU A 1 14 ? -1.429  7.944   -3.436  1.00 71.88 14 A 1 
ATOM 100 C CA  . LEU A 1 14 ? -0.204  7.166   -3.417  1.00 74.23 14 A 1 
ATOM 101 C C   . LEU A 1 14 ? 0.951   8.134   -3.662  1.00 76.36 14 A 1 
ATOM 102 O O   . LEU A 1 14 ? 1.001   8.799   -4.691  1.00 74.90 14 A 1 
ATOM 103 C CB  . LEU A 1 14 ? -0.264  6.059   -4.473  1.00 71.68 14 A 1 
ATOM 104 C CG  . LEU A 1 14 ? -1.330  4.979   -4.215  1.00 65.81 14 A 1 
ATOM 105 C CD1 . LEU A 1 14 ? -1.394  4.020   -5.400  1.00 63.44 14 A 1 
ATOM 106 C CD2 . LEU A 1 14 ? -1.034  4.170   -2.952  1.00 64.25 14 A 1 
ATOM 107 N N   . LEU A 1 15 ? 1.849   8.236   -2.695  1.00 79.07 15 A 1 
ATOM 108 C CA  . LEU A 1 15 ? 3.003   9.134   -2.789  1.00 81.80 15 A 1 
ATOM 109 C C   . LEU A 1 15 ? 3.991   8.690   -3.867  1.00 84.00 15 A 1 
ATOM 110 O O   . LEU A 1 15 ? 4.833   9.472   -4.303  1.00 81.04 15 A 1 
ATOM 111 C CB  . LEU A 1 15 ? 3.703   9.196   -1.424  1.00 79.13 15 A 1 
ATOM 112 C CG  . LEU A 1 15 ? 2.896   9.880   -0.308  1.00 72.78 15 A 1 
ATOM 113 C CD1 . LEU A 1 15 ? 3.673   9.784   1.000   1.00 69.47 15 A 1 
ATOM 114 C CD2 . LEU A 1 15 ? 2.637   11.354  -0.602  1.00 68.97 15 A 1 
ATOM 115 N N   . ASN A 1 16 ? 3.873   7.443   -4.298  1.00 85.25 16 A 1 
ATOM 116 C CA  . ASN A 1 16 ? 4.697   6.844   -5.323  1.00 85.99 16 A 1 
ATOM 117 C C   . ASN A 1 16 ? 3.852   5.951   -6.228  1.00 86.57 16 A 1 
ATOM 118 O O   . ASN A 1 16 ? 2.973   5.226   -5.774  1.00 84.94 16 A 1 
ATOM 119 C CB  . ASN A 1 16 ? 5.853   6.077   -4.663  1.00 83.72 16 A 1 
ATOM 120 C CG  . ASN A 1 16 ? 5.426   4.942   -3.750  1.00 82.80 16 A 1 
ATOM 121 O OD1 . ASN A 1 16 ? 4.580   5.075   -2.884  1.00 76.37 16 A 1 
ATOM 122 N ND2 . ASN A 1 16 ? 6.035   3.791   -3.893  1.00 79.83 16 A 1 
ATOM 123 N N   . MET A 1 17 ? 4.163   5.993   -7.526  1.00 88.65 17 A 1 
ATOM 124 C CA  . MET A 1 17 ? 3.575   5.094   -8.524  1.00 89.21 17 A 1 
ATOM 125 C C   . MET A 1 17 ? 4.429   3.842   -8.734  1.00 91.33 17 A 1 
ATOM 126 O O   . MET A 1 17 ? 3.939   2.831   -9.223  1.00 89.92 17 A 1 
ATOM 127 C CB  . MET A 1 17 ? 3.387   5.850   -9.842  1.00 87.05 17 A 1 
ATOM 128 C CG  . MET A 1 17 ? 2.374   6.999   -9.730  1.00 79.20 17 A 1 
ATOM 129 S SD  . MET A 1 17 ? 0.678   6.494   -9.301  1.00 70.46 17 A 1 
ATOM 130 C CE  . MET A 1 17 ? 0.198   5.596   -10.796 1.00 61.81 17 A 1 
ATOM 131 N N   . THR A 1 18 ? 5.687   3.903   -8.347  1.00 90.61 18 A 1 
ATOM 132 C CA  . THR A 1 18 ? 6.653   2.807   -8.448  1.00 91.41 18 A 1 
ATOM 133 C C   . THR A 1 18 ? 7.294   2.533   -7.093  1.00 91.10 18 A 1 
ATOM 134 O O   . THR A 1 18 ? 7.498   3.444   -6.293  1.00 88.71 18 A 1 
ATOM 135 C CB  . THR A 1 18 ? 7.747   3.110   -9.486  1.00 91.05 18 A 1 
ATOM 136 O OG1 . THR A 1 18 ? 8.347   4.356   -9.229  1.00 82.97 18 A 1 
ATOM 137 C CG2 . THR A 1 18 ? 7.196   3.170   -10.907 1.00 80.67 18 A 1 
ATOM 138 N N   . CYS A 1 19 ? 7.605   1.282   -6.826  1.00 88.60 19 A 1 
ATOM 139 C CA  . CYS A 1 19 ? 8.326   0.899   -5.622  1.00 88.24 19 A 1 
ATOM 140 C C   . CYS A 1 19 ? 9.800   1.319   -5.750  1.00 88.22 19 A 1 
ATOM 141 O O   . CYS A 1 19 ? 10.478  0.834   -6.654  1.00 87.32 19 A 1 
ATOM 142 C CB  . CYS A 1 19 ? 8.178   -0.612  -5.429  1.00 87.50 19 A 1 
ATOM 143 S SG  . CYS A 1 19 ? 9.096   -1.145  -3.957  1.00 85.06 19 A 1 
ATOM 144 N N   . PRO A 1 20 ? 10.325  2.164   -4.849  1.00 89.11 20 A 1 
ATOM 145 C CA  . PRO A 1 20 ? 11.721  2.595   -4.910  1.00 87.98 20 A 1 
ATOM 146 C C   . PRO A 1 20 ? 12.721  1.468   -4.619  1.00 88.23 20 A 1 
ATOM 147 O O   . PRO A 1 20 ? 13.900  1.615   -4.915  1.00 85.91 20 A 1 
ATOM 148 C CB  . PRO A 1 20 ? 11.825  3.728   -3.885  1.00 86.49 20 A 1 
ATOM 149 C CG  . PRO A 1 20 ? 10.737  3.402   -2.880  1.00 84.55 20 A 1 
ATOM 150 C CD  . PRO A 1 20 ? 9.638   2.768   -3.725  1.00 87.71 20 A 1 
ATOM 151 N N   . LEU A 1 21 ? 12.254  0.353   -4.055  1.00 86.94 21 A 1 
ATOM 152 C CA  . LEU A 1 21 ? 13.106  -0.802  -3.759  1.00 86.43 21 A 1 
ATOM 153 C C   . LEU A 1 21 ? 13.222  -1.758  -4.950  1.00 86.62 21 A 1 
ATOM 154 O O   . LEU A 1 21 ? 14.317  -2.205  -5.268  1.00 83.81 21 A 1 
ATOM 155 C CB  . LEU A 1 21 ? 12.561  -1.549  -2.533  1.00 84.76 21 A 1 
ATOM 156 C CG  . LEU A 1 21 ? 12.513  -0.720  -1.237  1.00 81.49 21 A 1 
ATOM 157 C CD1 . LEU A 1 21 ? 11.919  -1.576  -0.123  1.00 79.14 21 A 1 
ATOM 158 C CD2 . LEU A 1 21 ? 13.891  -0.229  -0.799  1.00 78.40 21 A 1 
ATOM 159 N N   . SER A 1 22 ? 12.089  -2.075  -5.599  1.00 88.24 22 A 1 
ATOM 160 C CA  . SER A 1 22 ? 12.065  -3.028  -6.719  1.00 88.54 22 A 1 
ATOM 161 C C   . SER A 1 22 ? 11.958  -2.367  -8.096  1.00 89.51 22 A 1 
ATOM 162 O O   . SER A 1 22 ? 12.127  -3.033  -9.114  1.00 87.39 22 A 1 
ATOM 163 C CB  . SER A 1 22 ? 10.960  -4.072  -6.508  1.00 87.03 22 A 1 
ATOM 164 O OG  . SER A 1 22 ? 9.679   -3.494  -6.401  1.00 83.00 22 A 1 
ATOM 165 N N   . GLY A 1 23 ? 11.659  -1.061  -8.144  1.00 89.95 23 A 1 
ATOM 166 C CA  . GLY A 1 23 ? 11.469  -0.295  -9.380  1.00 90.62 23 A 1 
ATOM 167 C C   . GLY A 1 23 ? 10.173  -0.619  -10.130 1.00 92.03 23 A 1 
ATOM 168 O O   . GLY A 1 23 ? 9.855   0.044   -11.119 1.00 90.18 23 A 1 
ATOM 169 N N   . LYS A 1 24 ? 9.395   -1.598  -9.659  1.00 90.70 24 A 1 
ATOM 170 C CA  . LYS A 1 24 ? 8.118   -1.999  -10.260 1.00 90.94 24 A 1 
ATOM 171 C C   . LYS A 1 24 ? 7.017   -0.994  -9.920  1.00 91.83 24 A 1 
ATOM 172 O O   . LYS A 1 24 ? 7.046   -0.416  -8.834  1.00 91.07 24 A 1 
ATOM 173 C CB  . LYS A 1 24 ? 7.724   -3.392  -9.775  1.00 89.29 24 A 1 
ATOM 174 C CG  . LYS A 1 24 ? 8.700   -4.491  -10.207 1.00 85.79 24 A 1 
ATOM 175 C CD  . LYS A 1 24 ? 8.226   -5.820  -9.605  1.00 83.56 24 A 1 
ATOM 176 C CE  . LYS A 1 24 ? 9.239   -6.941  -9.793  1.00 78.54 24 A 1 
ATOM 177 N NZ  . LYS A 1 24 ? 8.901   -8.070  -8.887  1.00 71.57 24 A 1 
ATOM 178 N N   . PRO A 1 25 ? 6.016   -0.793  -10.800 1.00 91.63 25 A 1 
ATOM 179 C CA  . PRO A 1 25 ? 4.831   -0.022  -10.459 1.00 92.11 25 A 1 
ATOM 180 C C   . PRO A 1 25 ? 4.073   -0.680  -9.300  1.00 92.15 25 A 1 
ATOM 181 O O   . PRO A 1 25 ? 4.014   -1.903  -9.193  1.00 90.76 25 A 1 
ATOM 182 C CB  . PRO A 1 25 ? 4.006   0.052   -11.745 1.00 91.51 25 A 1 
ATOM 183 C CG  . PRO A 1 25 ? 4.427   -1.191  -12.517 1.00 89.30 25 A 1 
ATOM 184 C CD  . PRO A 1 25 ? 5.880   -1.408  -12.108 1.00 91.18 25 A 1 
ATOM 185 N N   . VAL A 1 26 ? 3.459   0.138   -8.431  1.00 90.71 26 A 1 
ATOM 186 C CA  . VAL A 1 26 ? 2.749   -0.362  -7.240  1.00 90.17 26 A 1 
ATOM 187 C C   . VAL A 1 26 ? 1.565   -1.272  -7.577  1.00 90.45 26 A 1 
ATOM 188 O O   . VAL A 1 26 ? 1.153   -2.060  -6.740  1.00 88.84 26 A 1 
ATOM 189 C CB  . VAL A 1 26 ? 2.271   0.786   -6.330  1.00 89.00 26 A 1 
ATOM 190 C CG1 . VAL A 1 26 ? 3.462   1.588   -5.798  1.00 82.71 26 A 1 
ATOM 191 C CG2 . VAL A 1 26 ? 1.286   1.738   -7.013  1.00 84.08 26 A 1 
ATOM 192 N N   . THR A 1 27 ? 1.047   -1.182  -8.807  1.00 90.27 27 A 1 
ATOM 193 C CA  . THR A 1 27 ? -0.029  -2.035  -9.328  1.00 89.83 27 A 1 
ATOM 194 C C   . THR A 1 27 ? 0.438   -3.446  -9.707  1.00 90.48 27 A 1 
ATOM 195 O O   . THR A 1 27 ? -0.389  -4.343  -9.802  1.00 88.64 27 A 1 
ATOM 196 C CB  . THR A 1 27 ? -0.661  -1.378  -10.559 1.00 88.33 27 A 1 
ATOM 197 O OG1 . THR A 1 27 ? 0.337   -1.025  -11.491 1.00 81.36 27 A 1 
ATOM 198 C CG2 . THR A 1 27 ? -1.409  -0.096  -10.198 1.00 78.52 27 A 1 
ATOM 199 N N   . GLU A 1 28 ? 1.729   -3.637  -9.919  1.00 91.29 28 A 1 
ATOM 200 C CA  . GLU A 1 28 ? 2.335   -4.922  -10.303 1.00 91.69 28 A 1 
ATOM 201 C C   . GLU A 1 28 ? 3.115   -5.568  -9.145  1.00 91.56 28 A 1 
ATOM 202 O O   . GLU A 1 28 ? 3.782   -6.591  -9.319  1.00 90.05 28 A 1 
ATOM 203 C CB  . GLU A 1 28 ? 3.233   -4.749  -11.531 1.00 91.34 28 A 1 
ATOM 204 C CG  . GLU A 1 28 ? 2.471   -4.291  -12.776 1.00 86.20 28 A 1 
ATOM 205 C CD  . GLU A 1 28 ? 3.376   -4.336  -14.013 1.00 82.75 28 A 1 
ATOM 206 O OE1 . GLU A 1 28 ? 3.300   -5.329  -14.758 1.00 77.35 28 A 1 
ATOM 207 O OE2 . GLU A 1 28 ? 4.166   -3.380  -14.196 1.00 78.12 28 A 1 
ATOM 208 N N   . LEU A 1 29 ? 3.049   -4.971  -7.948  1.00 90.71 29 A 1 
ATOM 209 C CA  . LEU A 1 29 ? 3.656   -5.552  -6.759  1.00 90.51 29 A 1 
ATOM 210 C C   . LEU A 1 29 ? 2.856   -6.782  -6.322  1.00 90.93 29 A 1 
ATOM 211 O O   . LEU A 1 29 ? 1.635   -6.717  -6.209  1.00 89.86 29 A 1 
ATOM 212 C CB  . LEU A 1 29 ? 3.748   -4.514  -5.633  1.00 90.04 29 A 1 
ATOM 213 C CG  . LEU A 1 29 ? 4.618   -3.285  -5.958  1.00 88.60 29 A 1 
ATOM 214 C CD1 . LEU A 1 29 ? 4.631   -2.334  -4.758  1.00 85.65 29 A 1 
ATOM 215 C CD2 . LEU A 1 29 ? 6.064   -3.647  -6.297  1.00 85.51 29 A 1 
ATOM 216 N N   . ALA A 1 30 ? 3.548   -7.875  -6.039  1.00 90.95 30 A 1 
ATOM 217 C CA  . ALA A 1 30 ? 2.922   -9.093  -5.532  1.00 90.19 30 A 1 
ATOM 218 C C   . ALA A 1 30 ? 2.290   -8.872  -4.147  1.00 90.29 30 A 1 
ATOM 219 O O   . ALA A 1 30 ? 1.156   -9.267  -3.913  1.00 87.18 30 A 1 
ATOM 220 C CB  . ALA A 1 30 ? 3.983   -10.201 -5.501  1.00 88.42 30 A 1 
ATOM 221 N N   . ASP A 1 31 ? 3.007   -8.178  -3.265  1.00 89.64 31 A 1 
ATOM 222 C CA  . ASP A 1 31 ? 2.579   -7.863  -1.901  1.00 89.60 31 A 1 
ATOM 223 C C   . ASP A 1 31 ? 2.812   -6.372  -1.605  1.00 90.40 31 A 1 
ATOM 224 O O   . ASP A 1 31 ? 3.824   -6.012  -0.988  1.00 88.68 31 A 1 
ATOM 225 C CB  . ASP A 1 31 ? 3.330   -8.755  -0.915  1.00 86.97 31 A 1 
ATOM 226 C CG  . ASP A 1 31 ? 2.936   -10.225 -1.003  1.00 80.03 31 A 1 
ATOM 227 O OD1 . ASP A 1 31 ? 1.963   -10.584 -0.290  1.00 75.51 31 A 1 
ATOM 228 O OD2 . ASP A 1 31 ? 3.655   -10.981 -1.691  1.00 75.63 31 A 1 
ATOM 229 N N   . PRO A 1 32 ? 1.914   -5.467  -2.061  1.00 89.62 32 A 1 
ATOM 230 C CA  . PRO A 1 32 ? 2.051   -4.044  -1.793  1.00 89.51 32 A 1 
ATOM 231 C C   . PRO A 1 32 ? 1.733   -3.733  -0.327  1.00 89.09 32 A 1 
ATOM 232 O O   . PRO A 1 32 ? 0.631   -3.983  0.161   1.00 87.16 32 A 1 
ATOM 233 C CB  . PRO A 1 32 ? 1.089   -3.358  -2.763  1.00 88.70 32 A 1 
ATOM 234 C CG  . PRO A 1 32 ? -0.005  -4.398  -2.986  1.00 87.11 32 A 1 
ATOM 235 C CD  . PRO A 1 32 ? 0.737   -5.729  -2.868  1.00 89.64 32 A 1 
ATOM 236 N N   . VAL A 1 33 ? 2.669   -3.133  0.379   1.00 88.80 33 A 1 
ATOM 237 C CA  . VAL A 1 33 ? 2.508   -2.696  1.768   1.00 88.44 33 A 1 
ATOM 238 C C   . VAL A 1 33 ? 2.846   -1.222  1.912   1.00 88.67 33 A 1 
ATOM 239 O O   . VAL A 1 33 ? 3.740   -0.700  1.249   1.00 87.59 33 A 1 
ATOM 240 C CB  . VAL A 1 33 ? 3.340   -3.538  2.751   1.00 87.17 33 A 1 
ATOM 241 C CG1 . VAL A 1 33 ? 2.841   -4.983  2.790   1.00 80.30 33 A 1 
ATOM 242 C CG2 . VAL A 1 33 ? 4.832   -3.522  2.424   1.00 80.96 33 A 1 
ATOM 243 N N   . ARG A 1 34 ? 2.132   -0.537  2.805   1.00 84.75 34 A 1 
ATOM 244 C CA  . ARG A 1 34 ? 2.374   0.880   3.067   1.00 84.06 34 A 1 
ATOM 245 C C   . ARG A 1 34 ? 3.297   1.050   4.265   1.00 83.15 34 A 1 
ATOM 246 O O   . ARG A 1 34 ? 3.036   0.513   5.337   1.00 81.09 34 A 1 
ATOM 247 C CB  . ARG A 1 34 ? 1.034   1.596   3.216   1.00 83.06 34 A 1 
ATOM 248 C CG  . ARG A 1 34 ? 1.216   3.112   3.304   1.00 76.98 34 A 1 
ATOM 249 C CD  . ARG A 1 34 ? -0.142  3.800   3.343   1.00 75.03 34 A 1 
ATOM 250 N NE  . ARG A 1 34 ? 0.018   5.250   3.517   1.00 69.98 34 A 1 
ATOM 251 C CZ  . ARG A 1 34 ? -0.955  6.135   3.604   1.00 64.85 34 A 1 
ATOM 252 N NH1 . ARG A 1 34 ? -2.211  5.793   3.541   1.00 61.10 34 A 1 
ATOM 253 N NH2 . ARG A 1 34 ? -0.661  7.389   3.758   1.00 58.54 34 A 1 
ATOM 254 N N   . SER A 1 35 ? 4.327   1.853   4.102   1.00 84.68 35 A 1 
ATOM 255 C CA  . SER A 1 35 ? 5.191   2.254   5.212   1.00 82.56 35 A 1 
ATOM 256 C C   . SER A 1 35 ? 4.497   3.286   6.103   1.00 82.22 35 A 1 
ATOM 257 O O   . SER A 1 35 ? 3.889   4.235   5.606   1.00 80.20 35 A 1 
ATOM 258 C CB  . SER A 1 35 ? 6.506   2.802   4.667   1.00 80.92 35 A 1 
ATOM 259 O OG  . SER A 1 35 ? 7.306   3.317   5.712   1.00 71.18 35 A 1 
ATOM 260 N N   . MET A 1 36 ? 4.599   3.131   7.411   1.00 79.67 36 A 1 
ATOM 261 C CA  . MET A 1 36 ? 4.133   4.136   8.379   1.00 78.08 36 A 1 
ATOM 262 C C   . MET A 1 36 ? 5.095   5.318   8.504   1.00 78.45 36 A 1 
ATOM 263 O O   . MET A 1 36 ? 4.659   6.422   8.824   1.00 75.42 36 A 1 
ATOM 264 C CB  . MET A 1 36 ? 3.940   3.500   9.759   1.00 76.48 36 A 1 
ATOM 265 C CG  . MET A 1 36 ? 2.801   2.484   9.761   1.00 68.87 36 A 1 
ATOM 266 S SD  . MET A 1 36 ? 2.231   2.018   11.422  1.00 62.49 36 A 1 
ATOM 267 C CE  . MET A 1 36 ? 1.348   3.519   11.917  1.00 56.81 36 A 1 
ATOM 268 N N   . ASP A 1 37 ? 6.364   5.108   8.255   1.00 78.12 37 A 1 
ATOM 269 C CA  . ASP A 1 37 ? 7.402   6.126   8.409   1.00 78.51 37 A 1 
ATOM 270 C C   . ASP A 1 37 ? 7.362   7.145   7.266   1.00 78.98 37 A 1 
ATOM 271 O O   . ASP A 1 37 ? 7.108   8.333   7.474   1.00 75.42 37 A 1 
ATOM 272 C CB  . ASP A 1 37 ? 8.760   5.414   8.507   1.00 76.70 37 A 1 
ATOM 273 C CG  . ASP A 1 37 ? 9.872   6.396   8.850   1.00 68.68 37 A 1 
ATOM 274 O OD1 . ASP A 1 37 ? 10.619  6.756   7.914   1.00 63.57 37 A 1 
ATOM 275 O OD2 . ASP A 1 37 ? 9.945   6.779   10.036  1.00 64.04 37 A 1 
ATOM 276 N N   . CYS A 1 38 ? 7.515   6.676   6.030   1.00 82.98 38 A 1 
ATOM 277 C CA  . CYS A 1 38 ? 7.548   7.535   4.844   1.00 82.56 38 A 1 
ATOM 278 C C   . CYS A 1 38 ? 6.244   7.539   4.031   1.00 83.15 38 A 1 
ATOM 279 O O   . CYS A 1 38 ? 6.127   8.301   3.075   1.00 80.43 38 A 1 
ATOM 280 C CB  . CYS A 1 38 ? 8.770   7.152   4.000   1.00 79.37 38 A 1 
ATOM 281 S SG  . CYS A 1 38 ? 8.703   5.405   3.525   1.00 77.78 38 A 1 
ATOM 282 N N   . ARG A 1 39 ? 5.246   6.729   4.419   1.00 82.89 39 A 1 
ATOM 283 C CA  . ARG A 1 39 ? 3.920   6.633   3.771   1.00 83.89 39 A 1 
ATOM 284 C C   . ARG A 1 39 ? 3.934   6.200   2.298   1.00 85.87 39 A 1 
ATOM 285 O O   . ARG A 1 39 ? 2.889   6.233   1.657   1.00 84.42 39 A 1 
ATOM 286 C CB  . ARG A 1 39 ? 3.113   7.922   3.993   1.00 81.34 39 A 1 
ATOM 287 C CG  . ARG A 1 39 ? 2.857   8.215   5.481   1.00 75.68 39 A 1 
ATOM 288 C CD  . ARG A 1 39 ? 2.059   9.509   5.656   1.00 70.55 39 A 1 
ATOM 289 N NE  . ARG A 1 39 ? 2.895   10.699  5.426   1.00 65.09 39 A 1 
ATOM 290 C CZ  . ARG A 1 39 ? 2.519   11.959  5.588   1.00 56.27 39 A 1 
ATOM 291 N NH1 . ARG A 1 39 ? 1.299   12.271  5.939   1.00 53.42 39 A 1 
ATOM 292 N NH2 . ARG A 1 39 ? 3.373   12.930  5.409   1.00 49.24 39 A 1 
ATOM 293 N N   . HIS A 1 40 ? 5.077   5.772   1.778   1.00 85.68 40 A 1 
ATOM 294 C CA  . HIS A 1 40 ? 5.188   5.186   0.444   1.00 87.50 40 A 1 
ATOM 295 C C   . HIS A 1 40 ? 4.698   3.731   0.428   1.00 88.33 40 A 1 
ATOM 296 O O   . HIS A 1 40 ? 4.611   3.076   1.464   1.00 87.69 40 A 1 
ATOM 297 C CB  . HIS A 1 40 ? 6.631   5.289   -0.047  1.00 87.50 40 A 1 
ATOM 298 C CG  . HIS A 1 40 ? 7.079   6.705   -0.292  1.00 86.80 40 A 1 
ATOM 299 N ND1 . HIS A 1 40 ? 7.903   7.444   0.516   1.00 78.64 40 A 1 
ATOM 300 C CD2 . HIS A 1 40 ? 6.753   7.498   -1.354  1.00 78.66 40 A 1 
ATOM 301 C CE1 . HIS A 1 40 ? 8.068   8.653   -0.052  1.00 80.44 40 A 1 
ATOM 302 N NE2 . HIS A 1 40 ? 7.387   8.732   -1.190  1.00 82.16 40 A 1 
ATOM 303 N N   . VAL A 1 41 ? 4.388   3.231   -0.768  1.00 87.86 41 A 1 
ATOM 304 C CA  . VAL A 1 41 ? 4.045   1.826   -1.005  1.00 88.76 41 A 1 
ATOM 305 C C   . VAL A 1 41 ? 5.283   1.081   -1.497  1.00 89.03 41 A 1 
ATOM 306 O O   . VAL A 1 41 ? 5.971   1.542   -2.404  1.00 88.16 41 A 1 
ATOM 307 C CB  . VAL A 1 41 ? 2.865   1.685   -1.981  1.00 88.65 41 A 1 
ATOM 308 C CG1 . VAL A 1 41 ? 2.496   0.221   -2.222  1.00 84.72 41 A 1 
ATOM 309 C CG2 . VAL A 1 41 ? 1.623   2.403   -1.441  1.00 85.76 41 A 1 
ATOM 310 N N   . TYR A 1 42 ? 5.548   -0.051  -0.878  1.00 88.95 42 A 1 
ATOM 311 C CA  . TYR A 1 42 ? 6.695   -0.905  -1.153  1.00 89.18 42 A 1 
ATOM 312 C C   . TYR A 1 42 ? 6.240   -2.346  -1.356  1.00 89.87 42 A 1 
ATOM 313 O O   . TYR A 1 42 ? 5.139   -2.724  -0.954  1.00 88.93 42 A 1 
ATOM 314 C CB  . TYR A 1 42 ? 7.677   -0.829  0.019   1.00 87.80 42 A 1 
ATOM 315 C CG  . TYR A 1 42 ? 8.287   0.537   0.236   1.00 86.89 42 A 1 
ATOM 316 C CD1 . TYR A 1 42 ? 9.490   0.876   -0.405  1.00 82.53 42 A 1 
ATOM 317 C CD2 . TYR A 1 42 ? 7.658   1.473   1.081   1.00 81.89 42 A 1 
ATOM 318 C CE1 . TYR A 1 42 ? 10.064  2.140   -0.201  1.00 78.79 42 A 1 
ATOM 319 C CE2 . TYR A 1 42 ? 8.231   2.741   1.280   1.00 79.35 42 A 1 
ATOM 320 C CZ  . TYR A 1 42 ? 9.435   3.073   0.641   1.00 79.88 42 A 1 
ATOM 321 O OH  . TYR A 1 42 ? 9.996   4.300   0.835   1.00 77.52 42 A 1 
ATOM 322 N N   . GLU A 1 43 ? 7.092   -3.156  -1.932  1.00 87.13 43 A 1 
ATOM 323 C CA  . GLU A 1 43 ? 6.927   -4.605  -1.915  1.00 87.40 43 A 1 
ATOM 324 C C   . GLU A 1 43 ? 7.233   -5.127  -0.505  1.00 86.53 43 A 1 
ATOM 325 O O   . GLU A 1 43 ? 8.223   -4.720  0.109   1.00 84.42 43 A 1 
ATOM 326 C CB  . GLU A 1 43 ? 7.839   -5.211  -2.991  1.00 86.38 43 A 1 
ATOM 327 C CG  . GLU A 1 43 ? 7.570   -6.695  -3.274  1.00 83.00 43 A 1 
ATOM 328 C CD  . GLU A 1 43 ? 8.323   -7.116  -4.552  1.00 80.54 43 A 1 
ATOM 329 O OE1 . GLU A 1 43 ? 7.669   -7.399  -5.576  1.00 74.04 43 A 1 
ATOM 330 O OE2 . GLU A 1 43 ? 9.571   -7.075  -4.544  1.00 74.30 43 A 1 
ATOM 331 N N   . LYS A 1 44 ? 6.381   -6.017  0.019   1.00 87.54 44 A 1 
ATOM 332 C CA  . LYS A 1 44 ? 6.464   -6.522  1.397   1.00 86.51 44 A 1 
ATOM 333 C C   . LYS A 1 44 ? 7.855   -7.043  1.749   1.00 84.67 44 A 1 
ATOM 334 O O   . LYS A 1 44 ? 8.421   -6.620  2.756   1.00 80.27 44 A 1 
ATOM 335 C CB  . LYS A 1 44 ? 5.401   -7.604  1.583   1.00 84.55 44 A 1 
ATOM 336 C CG  . LYS A 1 44 ? 5.358   -8.131  3.015   1.00 80.84 44 A 1 
ATOM 337 C CD  . LYS A 1 44 ? 4.281   -9.205  3.145   1.00 78.47 44 A 1 
ATOM 338 C CE  . LYS A 1 44 ? 4.349   -9.813  4.539   1.00 71.48 44 A 1 
ATOM 339 N NZ  . LYS A 1 44 ? 3.474   -10.996 4.642   1.00 64.25 44 A 1 
ATOM 340 N N   . SER A 1 45 ? 8.427   -7.870  0.885   1.00 87.87 45 A 1 
ATOM 341 C CA  . SER A 1 45 ? 9.768   -8.450  1.064   1.00 85.80 45 A 1 
ATOM 342 C C   . SER A 1 45 ? 10.871  -7.402  1.262   1.00 84.41 45 A 1 
ATOM 343 O O   . SER A 1 45 ? 11.789  -7.603  2.058   1.00 78.28 45 A 1 
ATOM 344 C CB  . SER A 1 45 ? 10.088  -9.305  -0.169  1.00 83.40 45 A 1 
ATOM 345 O OG  . SER A 1 45 ? 9.898   -8.557  -1.355  1.00 74.41 45 A 1 
ATOM 346 N N   . GLY A 1 46 ? 10.765  -6.258  0.582   1.00 81.18 46 A 1 
ATOM 347 C CA  . GLY A 1 46 ? 11.699  -5.143  0.748   1.00 77.78 46 A 1 
ATOM 348 C C   . GLY A 1 46 ? 11.331  -4.213  1.908   1.00 77.46 46 A 1 
ATOM 349 O O   . GLY A 1 46 ? 12.215  -3.638  2.543   1.00 72.91 46 A 1 
ATOM 350 N N   . ALA A 1 47 ? 10.039  -4.063  2.206   1.00 78.03 47 A 1 
ATOM 351 C CA  . ALA A 1 47 ? 9.571   -3.171  3.257   1.00 75.55 47 A 1 
ATOM 352 C C   . ALA A 1 47 ? 9.852   -3.703  4.669   1.00 75.54 47 A 1 
ATOM 353 O O   . ALA A 1 47 ? 10.158  -2.911  5.557   1.00 72.08 47 A 1 
ATOM 354 C CB  . ALA A 1 47 ? 8.082   -2.907  3.047   1.00 72.78 47 A 1 
ATOM 355 N N   . GLU A 1 48 ? 9.803   -5.014  4.870   1.00 74.22 48 A 1 
ATOM 356 C CA  . GLU A 1 48 ? 10.061  -5.651  6.173   1.00 74.30 48 A 1 
ATOM 357 C C   . GLU A 1 48 ? 11.460  -5.338  6.724   1.00 73.31 48 A 1 
ATOM 358 O O   . GLU A 1 48 ? 11.641  -5.240  7.936   1.00 71.00 48 A 1 
ATOM 359 C CB  . GLU A 1 48 ? 9.875   -7.172  6.054   1.00 73.05 48 A 1 
ATOM 360 C CG  . GLU A 1 48 ? 8.396   -7.551  5.947   1.00 66.44 48 A 1 
ATOM 361 C CD  . GLU A 1 48 ? 8.180   -9.066  5.857   1.00 62.94 48 A 1 
ATOM 362 O OE1 . GLU A 1 48 ? 7.702   -9.644  6.853   1.00 59.07 48 A 1 
ATOM 363 O OE2 . GLU A 1 48 ? 8.423   -9.641  4.770   1.00 59.67 48 A 1 
ATOM 364 N N   . VAL A 1 49 ? 12.437  -5.144  5.846   1.00 75.55 49 A 1 
ATOM 365 C CA  . VAL A 1 49 ? 13.822  -4.848  6.241   1.00 73.18 49 A 1 
ATOM 366 C C   . VAL A 1 49 ? 14.136  -3.347  6.293   1.00 73.34 49 A 1 
ATOM 367 O O   . VAL A 1 49 ? 15.066  -2.949  6.987   1.00 69.17 49 A 1 
ATOM 368 C CB  . VAL A 1 49 ? 14.830  -5.585  5.338   1.00 71.40 49 A 1 
ATOM 369 C CG1 . VAL A 1 49 ? 14.739  -7.103  5.544   1.00 64.79 49 A 1 
ATOM 370 C CG2 . VAL A 1 49 ? 14.641  -5.292  3.848   1.00 67.06 49 A 1 
ATOM 371 N N   . ASN A 1 50 ? 13.373  -2.515  5.571   1.00 73.48 50 A 1 
ATOM 372 C CA  . ASN A 1 50 ? 13.686  -1.090  5.424   1.00 72.71 50 A 1 
ATOM 373 C C   . ASN A 1 50 ? 12.721  -0.159  6.175   1.00 71.14 50 A 1 
ATOM 374 O O   . ASN A 1 50 ? 13.093  0.962   6.518   1.00 68.53 50 A 1 
ATOM 375 C CB  . ASN A 1 50 ? 13.714  -0.734  3.928   1.00 70.90 50 A 1 
ATOM 376 C CG  . ASN A 1 50 ? 14.914  -1.322  3.211   1.00 64.22 50 A 1 
ATOM 377 O OD1 . ASN A 1 50 ? 15.990  -0.746  3.180   1.00 60.07 50 A 1 
ATOM 378 N ND2 . ASN A 1 50 ? 14.783  -2.475  2.612   1.00 59.75 50 A 1 
ATOM 379 N N   . CYS A 1 51 ? 11.473  -0.575  6.389   1.00 74.21 51 A 1 
ATOM 380 C CA  . CYS A 1 51 ? 10.409  0.303   6.865   1.00 72.22 51 A 1 
ATOM 381 C C   . CYS A 1 51 ? 9.474   -0.416  7.839   1.00 72.09 51 A 1 
ATOM 382 O O   . CYS A 1 51 ? 9.217   -1.608  7.725   1.00 68.23 51 A 1 
ATOM 383 C CB  . CYS A 1 51 ? 9.615   0.825   5.659   1.00 68.47 51 A 1 
ATOM 384 S SG  . CYS A 1 51 ? 10.620  1.925   4.619   1.00 60.72 51 A 1 
ATOM 385 N N   . ARG A 1 52 ? 8.870   0.343   8.759   1.00 68.68 52 A 1 
ATOM 386 C CA  . ARG A 1 52 ? 7.757   -0.156  9.574   1.00 69.33 52 A 1 
ATOM 387 C C   . ARG A 1 52 ? 6.505   -0.238  8.705   1.00 67.85 52 A 1 
ATOM 388 O O   . ARG A 1 52 ? 6.096   0.765   8.125   1.00 67.26 52 A 1 
ATOM 389 C CB  . ARG A 1 52 ? 7.530   0.736   10.799  1.00 68.48 52 A 1 
ATOM 390 C CG  . ARG A 1 52 ? 8.760   0.771   11.715  1.00 63.93 52 A 1 
ATOM 391 C CD  . ARG A 1 52 ? 8.454   1.589   12.971  1.00 61.32 52 A 1 
ATOM 392 N NE  . ARG A 1 52 ? 9.671   1.814   13.769  1.00 57.97 52 A 1 
ATOM 393 C CZ  . ARG A 1 52 ? 9.731   2.402   14.954  1.00 50.92 52 A 1 
ATOM 394 N NH1 . ARG A 1 52 ? 8.662   2.795   15.585  1.00 48.32 52 A 1 
ATOM 395 N NH2 . ARG A 1 52 ? 10.884  2.614   15.523  1.00 45.77 52 A 1 
ATOM 396 N N   . ILE A 1 53 ? 5.910   -1.404  8.628   1.00 71.68 53 A 1 
ATOM 397 C CA  . ILE A 1 53 ? 4.721   -1.659  7.809   1.00 70.79 53 A 1 
ATOM 398 C C   . ILE A 1 53 ? 3.480   -1.263  8.607   1.00 68.97 53 A 1 
ATOM 399 O O   . ILE A 1 53 ? 3.364   -1.598  9.786   1.00 65.92 53 A 1 
ATOM 400 C CB  . ILE A 1 53 ? 4.700   -3.130  7.336   1.00 69.21 53 A 1 
ATOM 401 C CG1 . ILE A 1 53 ? 5.993   -3.463  6.552   1.00 63.94 53 A 1 
ATOM 402 C CG2 . ILE A 1 53 ? 3.459   -3.403  6.476   1.00 62.14 53 A 1 
ATOM 403 C CD1 . ILE A 1 53 ? 6.099   -4.939  6.170   1.00 60.24 53 A 1 
ATOM 404 N N   . ALA A 1 54 ? 2.551   -0.542  7.969   1.00 65.32 54 A 1 
ATOM 405 C CA  . ALA A 1 54 ? 1.224   -0.311  8.519   1.00 63.87 54 A 1 
ATOM 406 C C   . ALA A 1 54 ? 0.420   -1.619  8.479   1.00 62.69 54 A 1 
ATOM 407 O O   . ALA A 1 54 ? 0.362   -2.283  7.447   1.00 58.96 54 A 1 
ATOM 408 C CB  . ALA A 1 54 ? 0.531   0.809   7.732   1.00 61.27 54 A 1 
ATOM 409 N N   . LYS A 1 55 ? -0.170  -1.978  9.608   1.00 65.04 55 A 1 
ATOM 410 C CA  . LYS A 1 55 ? -1.066  -3.136  9.737   1.00 61.97 55 A 1 
ATOM 411 C C   . LYS A 1 55 ? -2.489  -2.750  9.395   1.00 56.47 55 A 1 
ATOM 412 O O   . LYS A 1 55 ? -2.878  -1.619  9.758   1.00 52.39 55 A 1 
ATOM 413 C CB  . LYS A 1 55 ? -0.959  -3.715  11.158  1.00 58.46 55 A 1 
ATOM 414 C CG  . LYS A 1 55 ? -1.752  -5.024  11.296  1.00 52.83 55 A 1 
ATOM 415 C CD  . LYS A 1 55 ? -1.629  -5.595  12.707  1.00 52.11 55 A 1 
ATOM 416 C CE  . LYS A 1 55 ? -2.390  -6.922  12.785  1.00 49.46 55 A 1 
ATOM 417 N NZ  . LYS A 1 55 ? -2.344  -7.502  14.150  1.00 44.53 55 A 1 
ATOM 418 O OXT . LYS A 1 55 ? -3.175  -3.628  8.809   1.00 50.81 55 A 1 
#
