# 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-3a
#
_entry.id sp-ring-3a
#
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 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" 
"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 VAL 40 
1 n PRO 41 
1 n ARG 42 
#
_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 12:20:06)"
_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 56.28
_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 51.02 1 1  
A ASP 2  2 52.18 1 2  
A GLU 3  2 51.02 1 3  
A ASP 4  2 53.47 1 4  
A ILE 5  2 52.47 1 5  
A VAL 6  2 52.38 1 6  
A MET 7  2 53.84 1 7  
A THR 8  2 54.85 1 8  
A SER 9  2 54.24 1 9  
A THR 10 2 55.10 1 10 
A GLN 11 2 53.41 1 11 
A CYS 12 2 52.90 1 12 
A PRO 13 2 55.80 1 13 
A LEU 14 2 55.10 1 14 
A LEU 15 2 56.55 1 15 
A ASN 16 2 58.21 1 16 
A MET 17 2 57.78 1 17 
A THR 18 2 63.53 1 18 
A CYS 19 2 59.26 1 19 
A PRO 20 2 65.00 1 20 
A LEU 21 2 61.96 1 21 
A SER 22 2 63.39 1 22 
A GLY 23 2 66.71 1 23 
A LYS 24 2 60.45 1 24 
A PRO 25 2 64.15 1 25 
A VAL 26 2 63.21 1 26 
A THR 27 2 62.92 1 27 
A GLU 28 2 61.70 1 28 
A LEU 29 2 62.07 1 29 
A ALA 30 2 62.11 1 30 
A ASP 31 2 58.17 1 31 
A PRO 32 2 61.40 1 32 
A VAL 33 2 59.04 1 33 
A ARG 34 2 52.12 1 34 
A SER 35 2 56.07 1 35 
A MET 36 2 54.93 1 36 
A ASP 37 2 54.79 1 37 
A CYS 38 2 51.82 1 38 
A ARG 39 2 49.01 1 39 
A VAL 40 2 52.99 1 40 
A PRO 41 2 52.26 1 41 
A ARG 42 2 45.31 1 42 
#
_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 VAL . 40 A 40 
A 41 1 n PRO . 41 A 41 
A 42 1 n ARG . 42 A 42 
#
_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  ? -0.127  19.798  4.614   1.00 49.24 1  A 1 
ATOM 2   C CA  . ASP A 1 1  ? 1.111   19.359  3.965   1.00 54.61 1  A 1 
ATOM 3   C C   . ASP A 1 1  ? 0.819   18.472  2.764   1.00 57.01 1  A 1 
ATOM 4   O O   . ASP A 1 1  ? 0.652   17.261  2.894   1.00 53.98 1  A 1 
ATOM 5   C CB  . ASP A 1 1  ? 1.985   18.598  4.959   1.00 53.37 1  A 1 
ATOM 6   C CG  . ASP A 1 1  ? 2.434   19.471  6.112   1.00 48.43 1  A 1 
ATOM 7   O OD1 . ASP A 1 1  ? 2.493   20.702  5.924   1.00 44.68 1  A 1 
ATOM 8   O OD2 . ASP A 1 1  ? 2.723   18.941  7.202   1.00 46.88 1  A 1 
ATOM 9   N N   . ASP A 1 2  ? 0.754   19.085  1.590   1.00 52.70 2  A 1 
ATOM 10  C CA  . ASP A 1 2  ? 0.477   18.341  0.365   1.00 55.99 2  A 1 
ATOM 11  C C   . ASP A 1 2  ? 1.721   18.267  -0.519  1.00 58.07 2  A 1 
ATOM 12  O O   . ASP A 1 2  ? 1.641   17.948  -1.704  1.00 56.09 2  A 1 
ATOM 13  C CB  . ASP A 1 2  ? -0.670  19.002  -0.405  1.00 55.06 2  A 1 
ATOM 14  C CG  . ASP A 1 2  ? -1.981  18.958  0.347   1.00 48.41 2  A 1 
ATOM 15  O OD1 . ASP A 1 2  ? -1.978  18.620  1.544   1.00 44.66 2  A 1 
ATOM 16  O OD2 . ASP A 1 2  ? -3.021  19.270  -0.262  1.00 46.49 2  A 1 
ATOM 17  N N   . GLU A 1 3  ? 2.863   18.562  0.056   1.00 52.73 3  A 1 
ATOM 18  C CA  . GLU A 1 3  ? 4.118   18.546  -0.693  1.00 55.49 3  A 1 
ATOM 19  C C   . GLU A 1 3  ? 4.670   17.131  -0.835  1.00 57.39 3  A 1 
ATOM 20  O O   . GLU A 1 3  ? 5.432   16.839  -1.750  1.00 54.69 3  A 1 
ATOM 21  C CB  . GLU A 1 3  ? 5.147   19.439  0.009   1.00 54.97 3  A 1 
ATOM 22  C CG  . GLU A 1 3  ? 5.450   18.994  1.426   1.00 48.85 3  A 1 
ATOM 23  C CD  . GLU A 1 3  ? 6.437   19.923  2.123   1.00 47.21 3  A 1 
ATOM 24  O OE1 . GLU A 1 3  ? 6.161   21.128  2.180   1.00 43.23 3  A 1 
ATOM 25  O OE2 . GLU A 1 3  ? 7.468   19.435  2.596   1.00 44.60 3  A 1 
ATOM 26  N N   . ASP A 1 4  ? 4.265   16.253  0.066   1.00 55.58 4  A 1 
ATOM 27  C CA  . ASP A 1 4  ? 4.734   14.868  0.043   1.00 57.38 4  A 1 
ATOM 28  C C   . ASP A 1 4  ? 3.810   13.981  -0.786  1.00 57.89 4  A 1 
ATOM 29  O O   . ASP A 1 4  ? 4.159   12.852  -1.127  1.00 56.97 4  A 1 
ATOM 30  C CB  . ASP A 1 4  ? 4.834   14.317  1.468   1.00 56.56 4  A 1 
ATOM 31  C CG  . ASP A 1 4  ? 5.873   15.041  2.298   1.00 49.93 4  A 1 
ATOM 32  O OD1 . ASP A 1 4  ? 7.074   14.825  2.060   1.00 46.23 4  A 1 
ATOM 33  O OD2 . ASP A 1 4  ? 5.485   15.808  3.190   1.00 47.20 4  A 1 
ATOM 34  N N   . ILE A 1 5  ? 2.634   14.492  -1.118  1.00 52.90 5  A 1 
ATOM 35  C CA  . ILE A 1 5  ? 1.661   13.735  -1.897  1.00 54.47 5  A 1 
ATOM 36  C C   . ILE A 1 5  ? 1.852   13.987  -3.394  1.00 52.73 5  A 1 
ATOM 37  O O   . ILE A 1 5  ? 1.056   13.550  -4.218  1.00 51.64 5  A 1 
ATOM 38  C CB  . ILE A 1 5  ? 0.229   14.106  -1.477  1.00 55.22 5  A 1 
ATOM 39  C CG1 . ILE A 1 5  ? -0.779  13.034  -1.905  1.00 52.02 5  A 1 
ATOM 40  C CG2 . ILE A 1 5  ? -0.169  15.456  -2.073  1.00 52.15 5  A 1 
ATOM 41  C CD1 . ILE A 1 5  ? -0.533  11.699  -1.236  1.00 48.64 5  A 1 
ATOM 42  N N   . VAL A 1 6  ? 2.930   14.698  -3.737  1.00 53.33 6  A 1 
ATOM 43  C CA  . VAL A 1 6  ? 3.227   15.010  -5.133  1.00 54.84 6  A 1 
ATOM 44  C C   . VAL A 1 6  ? 3.568   13.748  -5.917  1.00 54.95 6  A 1 
ATOM 45  O O   . VAL A 1 6  ? 3.439   13.705  -7.138  1.00 53.55 6  A 1 
ATOM 46  C CB  . VAL A 1 6  ? 4.402   16.002  -5.240  1.00 53.84 6  A 1 
ATOM 47  C CG1 . VAL A 1 6  ? 5.690   15.372  -4.718  1.00 47.44 6  A 1 
ATOM 48  C CG2 . VAL A 1 6  ? 4.593   16.464  -6.676  1.00 48.72 6  A 1 
ATOM 49  N N   . MET A 1 7  ? 4.002   12.717  -5.232  1.00 54.74 7  A 1 
ATOM 50  C CA  . MET A 1 7  ? 4.359   11.454  -5.862  1.00 56.74 7  A 1 
ATOM 51  C C   . MET A 1 7  ? 3.123   10.580  -6.050  1.00 55.72 7  A 1 
ATOM 52  O O   . MET A 1 7  ? 2.284   10.462  -5.166  1.00 53.85 7  A 1 
ATOM 53  C CB  . MET A 1 7  ? 5.402   10.713  -5.022  1.00 56.33 7  A 1 
ATOM 54  C CG  . MET A 1 7  ? 4.961   10.454  -3.589  1.00 53.75 7  A 1 
ATOM 55  S SD  . MET A 1 7  ? 6.250   9.690   -2.600  1.00 51.84 7  A 1 
ATOM 56  C CE  . MET A 1 7  ? 5.428   9.600   -1.009  1.00 47.71 7  A 1 
ATOM 57  N N   . THR A 1 8  ? 3.039   9.954   -7.230  1.00 56.61 8  A 1 
ATOM 58  C CA  . THR A 1 8  ? 1.910   9.085   -7.547  1.00 57.40 8  A 1 
ATOM 59  C C   . THR A 1 8  ? 2.135   7.675   -6.999  1.00 56.52 8  A 1 
ATOM 60  O O   . THR A 1 8  ? 3.178   7.379   -6.419  1.00 54.33 8  A 1 
ATOM 61  C CB  . THR A 1 8  ? 1.692   9.011   -9.064  1.00 56.31 8  A 1 
ATOM 62  O OG1 . THR A 1 8  ? 2.855   8.498   -9.703  1.00 51.70 8  A 1 
ATOM 63  C CG2 . THR A 1 8  ? 1.381   10.387  -9.622  1.00 51.06 8  A 1 
ATOM 64  N N   . SER A 1 9  ? 1.160   6.802   -7.213  1.00 55.41 9  A 1 
ATOM 65  C CA  . SER A 1 9  ? 1.252   5.424   -6.735  1.00 56.27 9  A 1 
ATOM 66  C C   . SER A 1 9  ? 2.327   4.641   -7.480  1.00 56.65 9  A 1 
ATOM 67  O O   . SER A 1 9  ? 2.751   3.578   -7.041  1.00 54.70 9  A 1 
ATOM 68  C CB  . SER A 1 9  ? -0.093  4.716   -6.894  1.00 53.97 9  A 1 
ATOM 69  O OG  . SER A 1 9  ? -0.485  4.687   -8.242  1.00 48.42 9  A 1 
ATOM 70  N N   . THR A 1 10 ? 2.755   5.166   -8.616  1.00 56.42 10 A 1 
ATOM 71  C CA  . THR A 1 10 ? 3.786   4.515   -9.419  1.00 57.32 10 A 1 
ATOM 72  C C   . THR A 1 10 ? 5.186   4.916   -8.963  1.00 57.63 10 A 1 
ATOM 73  O O   . THR A 1 10 ? 6.166   4.252   -9.286  1.00 55.77 10 A 1 
ATOM 74  C CB  . THR A 1 10 ? 3.628   4.869   -10.902 1.00 55.92 10 A 1 
ATOM 75  O OG1 . THR A 1 10 ? 3.703   6.281   -11.072 1.00 51.44 10 A 1 
ATOM 76  C CG2 . THR A 1 10 ? 2.302   4.364   -11.429 1.00 51.22 10 A 1 
ATOM 77  N N   . GLN A 1 11 ? 5.274   5.998   -8.218  1.00 56.39 11 A 1 
ATOM 78  C CA  . GLN A 1 11 ? 6.550   6.508   -7.736  1.00 57.25 11 A 1 
ATOM 79  C C   . GLN A 1 11 ? 6.635   6.471   -6.214  1.00 57.25 11 A 1 
ATOM 80  O O   . GLN A 1 11 ? 7.650   6.842   -5.631  1.00 55.21 11 A 1 
ATOM 81  C CB  . GLN A 1 11 ? 6.762   7.940   -8.225  1.00 56.82 11 A 1 
ATOM 82  C CG  . GLN A 1 11 ? 6.801   8.059   -9.740  1.00 53.34 11 A 1 
ATOM 83  C CD  . GLN A 1 11 ? 6.951   9.499   -10.199 1.00 50.50 11 A 1 
ATOM 84  O OE1 . GLN A 1 11 ? 6.901   10.428  -9.397  1.00 48.15 11 A 1 
ATOM 85  N NE2 . GLN A 1 11 ? 7.139   9.704   -11.489 1.00 45.80 11 A 1 
ATOM 86  N N   . CYS A 1 12 ? 5.587   6.016   -5.583  1.00 54.83 12 A 1 
ATOM 87  C CA  . CYS A 1 12 ? 5.549   5.957   -4.130  1.00 54.88 12 A 1 
ATOM 88  C C   . CYS A 1 12 ? 6.355   4.764   -3.611  1.00 55.13 12 A 1 
ATOM 89  O O   . CYS A 1 12 ? 6.426   3.724   -4.269  1.00 52.46 12 A 1 
ATOM 90  C CB  . CYS A 1 12 ? 4.102   5.853   -3.643  1.00 52.86 12 A 1 
ATOM 91  S SG  . CYS A 1 12 ? 3.266   4.338   -4.162  1.00 47.26 12 A 1 
ATOM 92  N N   . PRO A 1 13 ? 6.964   4.899   -2.427  1.00 57.65 13 A 1 
ATOM 93  C CA  . PRO A 1 13 ? 7.748   3.825   -1.801  1.00 56.50 13 A 1 
ATOM 94  C C   . PRO A 1 13 ? 6.869   2.709   -1.242  1.00 56.95 13 A 1 
ATOM 95  O O   . PRO A 1 13 ? 7.368   1.766   -0.635  1.00 55.56 13 A 1 
ATOM 96  C CB  . PRO A 1 13 ? 8.504   4.544   -0.680  1.00 53.99 13 A 1 
ATOM 97  C CG  . PRO A 1 13 ? 7.622   5.697   -0.328  1.00 53.81 13 A 1 
ATOM 98  C CD  . PRO A 1 13 ? 6.977   6.124   -1.617  1.00 56.14 13 A 1 
ATOM 99  N N   . LEU A 1 14 ? 5.570   2.802   -1.463  1.00 56.96 14 A 1 
ATOM 100 C CA  . LEU A 1 14 ? 4.633   1.799   -0.970  1.00 58.03 14 A 1 
ATOM 101 C C   . LEU A 1 14 ? 4.819   0.465   -1.680  1.00 58.13 14 A 1 
ATOM 102 O O   . LEU A 1 14 ? 4.409   -0.579  -1.178  1.00 56.43 14 A 1 
ATOM 103 C CB  . LEU A 1 14 ? 3.195   2.282   -1.159  1.00 56.43 14 A 1 
ATOM 104 C CG  . LEU A 1 14 ? 2.869   3.608   -0.479  1.00 53.67 14 A 1 
ATOM 105 C CD1 . LEU A 1 14 ? 1.432   4.008   -0.754  1.00 50.85 14 A 1 
ATOM 106 C CD2 . LEU A 1 14 ? 3.119   3.515   1.017   1.00 50.31 14 A 1 
ATOM 107 N N   . LEU A 1 15 ? 5.450   0.496   -2.858  1.00 58.60 15 A 1 
ATOM 108 C CA  . LEU A 1 15 ? 5.679   -0.717  -3.633  1.00 59.56 15 A 1 
ATOM 109 C C   . LEU A 1 15 ? 6.716   -1.616  -2.968  1.00 59.92 15 A 1 
ATOM 110 O O   . LEU A 1 15 ? 6.623   -2.838  -3.040  1.00 56.72 15 A 1 
ATOM 111 C CB  . LEU A 1 15 ? 6.132   -0.355  -5.048  1.00 58.18 15 A 1 
ATOM 112 C CG  . LEU A 1 15 ? 5.126   0.467   -5.854  1.00 55.04 15 A 1 
ATOM 113 C CD1 . LEU A 1 15 ? 5.702   0.831   -7.212  1.00 52.72 15 A 1 
ATOM 114 C CD2 . LEU A 1 15 ? 3.824   -0.296  -6.015  1.00 51.70 15 A 1 
ATOM 115 N N   . ASN A 1 16 ? 7.704   -1.010  -2.332  1.00 59.74 16 A 1 
ATOM 116 C CA  . ASN A 1 16 ? 8.740   -1.765  -1.643  1.00 60.61 16 A 1 
ATOM 117 C C   . ASN A 1 16 ? 8.373   -2.013  -0.184  1.00 61.12 16 A 1 
ATOM 118 O O   . ASN A 1 16 ? 9.079   -2.724  0.529   1.00 60.28 16 A 1 
ATOM 119 C CB  . ASN A 1 16 ? 10.084  -1.036  -1.742  1.00 60.32 16 A 1 
ATOM 120 C CG  . ASN A 1 16 ? 10.060  0.322   -1.073  1.00 56.30 16 A 1 
ATOM 121 O OD1 . ASN A 1 16 ? 9.566   0.482   0.033   1.00 54.05 16 A 1 
ATOM 122 N ND2 . ASN A 1 16 ? 10.605  1.324   -1.735  1.00 53.29 16 A 1 
ATOM 123 N N   . MET A 1 17 ? 7.279   -1.445  0.235   1.00 60.28 17 A 1 
ATOM 124 C CA  . MET A 1 17 ? 6.816   -1.611  1.602   1.00 61.67 17 A 1 
ATOM 125 C C   . MET A 1 17 ? 5.821   -2.763  1.688   1.00 61.99 17 A 1 
ATOM 126 O O   . MET A 1 17 ? 4.678   -2.645  1.258   1.00 60.39 17 A 1 
ATOM 127 C CB  . MET A 1 17 ? 6.170   -0.321  2.107   1.00 59.88 17 A 1 
ATOM 128 C CG  . MET A 1 17 ? 5.698   -0.404  3.547   1.00 55.94 17 A 1 
ATOM 129 S SD  . MET A 1 17 ? 7.040   -0.726  4.689   1.00 52.99 17 A 1 
ATOM 130 C CE  . MET A 1 17 ? 6.146   -0.793  6.238   1.00 49.09 17 A 1 
ATOM 131 N N   . THR A 1 18 ? 6.267   -3.872  2.247   1.00 64.06 18 A 1 
ATOM 132 C CA  . THR A 1 18 ? 5.419   -5.050  2.392   1.00 65.91 18 A 1 
ATOM 133 C C   . THR A 1 18 ? 4.979   -5.225  3.842   1.00 66.47 18 A 1 
ATOM 134 O O   . THR A 1 18 ? 5.797   -5.175  4.759   1.00 63.91 18 A 1 
ATOM 135 C CB  . THR A 1 18 ? 6.150   -6.318  1.937   1.00 65.59 18 A 1 
ATOM 136 O OG1 . THR A 1 18 ? 6.661   -6.142  0.618   1.00 59.85 18 A 1 
ATOM 137 C CG2 . THR A 1 18 ? 5.219   -7.517  1.956   1.00 58.89 18 A 1 
ATOM 138 N N   . CYS A 1 19 ? 3.693   -5.431  4.035   1.00 59.93 19 A 1 
ATOM 139 C CA  . CYS A 1 19 ? 3.162   -5.609  5.379   1.00 60.76 19 A 1 
ATOM 140 C C   . CYS A 1 19 ? 3.278   -7.066  5.830   1.00 60.96 19 A 1 
ATOM 141 O O   . CYS A 1 19 ? 2.868   -7.971  5.101   1.00 58.67 19 A 1 
ATOM 142 C CB  . CYS A 1 19 ? 1.701   -5.173  5.437   1.00 60.17 19 A 1 
ATOM 143 S SG  . CYS A 1 19 ? 1.007   -5.181  7.105   1.00 55.09 19 A 1 
ATOM 144 N N   . PRO A 1 20 ? 3.819   -7.301  7.024   1.00 65.16 20 A 1 
ATOM 145 C CA  . PRO A 1 20 ? 3.994   -8.656  7.559   1.00 64.89 20 A 1 
ATOM 146 C C   . PRO A 1 20 ? 2.671   -9.314  7.950   1.00 64.72 20 A 1 
ATOM 147 O O   . PRO A 1 20 ? 2.639   -10.494 8.288   1.00 63.82 20 A 1 
ATOM 148 C CB  . PRO A 1 20 ? 4.882   -8.444  8.788   1.00 64.56 20 A 1 
ATOM 149 C CG  . PRO A 1 20 ? 4.586   -7.048  9.227   1.00 64.41 20 A 1 
ATOM 150 C CD  . PRO A 1 20 ? 4.312   -6.276  7.960   1.00 67.47 20 A 1 
ATOM 151 N N   . LEU A 1 21 ? 1.600   -8.559  7.892   1.00 62.24 21 A 1 
ATOM 152 C CA  . LEU A 1 21 ? 0.289   -9.082  8.265   1.00 64.01 21 A 1 
ATOM 153 C C   . LEU A 1 21 ? -0.289  -9.985  7.182   1.00 62.93 21 A 1 
ATOM 154 O O   . LEU A 1 21 ? -0.947  -10.981 7.477   1.00 61.08 21 A 1 
ATOM 155 C CB  . LEU A 1 21 ? -0.673  -7.930  8.547   1.00 64.32 21 A 1 
ATOM 156 C CG  . LEU A 1 21 ? -0.254  -7.008  9.694   1.00 62.32 21 A 1 
ATOM 157 C CD1 . LEU A 1 21 ? -1.256  -5.878  9.863   1.00 60.16 21 A 1 
ATOM 158 C CD2 . LEU A 1 21 ? -0.102  -7.788  10.985  1.00 58.66 21 A 1 
ATOM 159 N N   . SER A 1 22 ? -0.038  -9.628  5.921   1.00 65.67 22 A 1 
ATOM 160 C CA  . SER A 1 22 ? -0.559  -10.405 4.798   1.00 65.54 22 A 1 
ATOM 161 C C   . SER A 1 22 ? 0.523   -10.739 3.775   1.00 64.96 22 A 1 
ATOM 162 O O   . SER A 1 22 ? 0.316   -11.560 2.888   1.00 62.26 22 A 1 
ATOM 163 C CB  . SER A 1 22 ? -1.700  -9.652  4.116   1.00 63.82 22 A 1 
ATOM 164 O OG  . SER A 1 22 ? -1.246  -8.436  3.577   1.00 58.09 22 A 1 
ATOM 165 N N   . GLY A 1 23 ? 1.674   -10.101 3.902   1.00 66.90 23 A 1 
ATOM 166 C CA  . GLY A 1 23 ? 2.764   -10.349 2.967   1.00 66.58 23 A 1 
ATOM 167 C C   . GLY A 1 23 ? 2.576   -9.646  1.640   1.00 68.08 23 A 1 
ATOM 168 O O   . GLY A 1 23 ? 3.278   -9.925  0.671   1.00 65.29 23 A 1 
ATOM 169 N N   . LYS A 1 24 ? 1.637   -8.729  1.585   1.00 61.29 24 A 1 
ATOM 170 C CA  . LYS A 1 24 ? 1.348   -7.981  0.366   1.00 64.16 24 A 1 
ATOM 171 C C   . LYS A 1 24 ? 1.748   -6.518  0.527   1.00 64.37 24 A 1 
ATOM 172 O O   . LYS A 1 24 ? 1.822   -6.016  1.650   1.00 63.06 24 A 1 
ATOM 173 C CB  . LYS A 1 24 ? -0.139  -8.078  0.025   1.00 63.03 24 A 1 
ATOM 174 C CG  . LYS A 1 24 ? -0.593  -9.485  -0.306  1.00 60.64 24 A 1 
ATOM 175 C CD  . LYS A 1 24 ? -2.067  -9.506  -0.691  1.00 59.77 24 A 1 
ATOM 176 C CE  . LYS A 1 24 ? -2.523  -10.908 -1.065  1.00 56.00 24 A 1 
ATOM 177 N NZ  . LYS A 1 24 ? -3.950  -10.923 -1.464  1.00 51.76 24 A 1 
ATOM 178 N N   . PRO A 1 25 ? 2.023   -5.824  -0.585  1.00 63.08 25 A 1 
ATOM 179 C CA  . PRO A 1 25 ? 2.376   -4.402  -0.529  1.00 64.23 25 A 1 
ATOM 180 C C   . PRO A 1 25 ? 1.242   -3.576  0.071   1.00 64.70 25 A 1 
ATOM 181 O O   . PRO A 1 25 ? 0.072   -3.884  -0.138  1.00 63.83 25 A 1 
ATOM 182 C CB  . PRO A 1 25 ? 2.616   -4.031  -1.994  1.00 64.55 25 A 1 
ATOM 183 C CG  . PRO A 1 25 ? 1.875   -5.070  -2.779  1.00 63.23 25 A 1 
ATOM 184 C CD  . PRO A 1 25 ? 1.976   -6.327  -1.960  1.00 65.40 25 A 1 
ATOM 185 N N   . VAL A 1 26 ? 1.591   -2.530  0.795   1.00 64.04 26 A 1 
ATOM 186 C CA  . VAL A 1 26 ? 0.596   -1.695  1.458   1.00 64.70 26 A 1 
ATOM 187 C C   . VAL A 1 26 ? -0.376  -1.058  0.472   1.00 64.84 26 A 1 
ATOM 188 O O   . VAL A 1 26 ? -1.432  -0.573  0.861   1.00 63.44 26 A 1 
ATOM 189 C CB  . VAL A 1 26 ? 1.268   -0.588  2.292   1.00 63.57 26 A 1 
ATOM 190 C CG1 . VAL A 1 26 ? 2.057   -1.185  3.443   1.00 60.09 26 A 1 
ATOM 191 C CG2 . VAL A 1 26 ? 2.173   0.261   1.412   1.00 61.81 26 A 1 
ATOM 192 N N   . THR A 1 27 ? -0.014  -1.083  -0.811  1.00 65.40 27 A 1 
ATOM 193 C CA  . THR A 1 27 ? -0.883  -0.534  -1.847  1.00 64.84 27 A 1 
ATOM 194 C C   . THR A 1 27 ? -2.186  -1.324  -1.927  1.00 63.98 27 A 1 
ATOM 195 O O   . THR A 1 27 ? -3.267  -0.757  -2.048  1.00 61.91 27 A 1 
ATOM 196 C CB  . THR A 1 27 ? -0.196  -0.561  -3.217  1.00 64.37 27 A 1 
ATOM 197 O OG1 . THR A 1 27 ? 0.228   -1.886  -3.524  1.00 60.16 27 A 1 
ATOM 198 C CG2 . THR A 1 27 ? 1.002   0.370   -3.238  1.00 59.79 27 A 1 
ATOM 199 N N   . GLU A 1 28 ? -2.068  -2.643  -1.862  1.00 64.87 28 A 1 
ATOM 200 C CA  . GLU A 1 28 ? -3.234  -3.521  -1.879  1.00 65.98 28 A 1 
ATOM 201 C C   . GLU A 1 28 ? -3.685  -3.834  -0.457  1.00 65.68 28 A 1 
ATOM 202 O O   . GLU A 1 28 ? -4.770  -4.367  -0.236  1.00 64.15 28 A 1 
ATOM 203 C CB  . GLU A 1 28 ? -2.913  -4.823  -2.607  1.00 65.21 28 A 1 
ATOM 204 C CG  . GLU A 1 28 ? -2.522  -4.619  -4.058  1.00 60.86 28 A 1 
ATOM 205 C CD  . GLU A 1 28 ? -2.236  -5.932  -4.757  1.00 58.18 28 A 1 
ATOM 206 O OE1 . GLU A 1 28 ? -3.166  -6.737  -4.898  1.00 55.20 28 A 1 
ATOM 207 O OE2 . GLU A 1 28 ? -1.083  -6.145  -5.152  1.00 55.16 28 A 1 
ATOM 208 N N   . LEU A 1 29 ? -2.838  -3.507  0.489   1.00 64.04 29 A 1 
ATOM 209 C CA  . LEU A 1 29 ? -3.121  -3.747  1.896   1.00 64.20 29 A 1 
ATOM 210 C C   . LEU A 1 29 ? -3.944  -2.614  2.499   1.00 63.35 29 A 1 
ATOM 211 O O   . LEU A 1 29 ? -4.498  -2.748  3.587   1.00 62.63 29 A 1 
ATOM 212 C CB  . LEU A 1 29 ? -1.805  -3.904  2.659   1.00 63.52 29 A 1 
ATOM 213 C CG  . LEU A 1 29 ? -1.940  -4.393  4.095   1.00 60.95 29 A 1 
ATOM 214 C CD1 . LEU A 1 29 ? -2.450  -5.816  4.135   1.00 59.72 29 A 1 
ATOM 215 C CD2 . LEU A 1 29 ? -0.596  -4.291  4.796   1.00 58.12 29 A 1 
ATOM 216 N N   . ALA A 1 30 ? -4.008  -1.504  1.776   1.00 63.49 30 A 1 
ATOM 217 C CA  . ALA A 1 30 ? -4.771  -0.349  2.239   1.00 62.87 30 A 1 
ATOM 218 C C   . ALA A 1 30 ? -6.257  -0.680  2.333   1.00 62.90 30 A 1 
ATOM 219 O O   . ALA A 1 30 ? -7.026  0.030   2.982   1.00 59.63 30 A 1 
ATOM 220 C CB  . ALA A 1 30 ? -4.558  0.832   1.297   1.00 61.67 30 A 1 
ATOM 221 N N   . ASP A 1 31 ? -6.646  -1.766  1.672   1.00 60.68 31 A 1 
ATOM 222 C CA  . ASP A 1 31 ? -8.026  -2.233  1.689   1.00 62.00 31 A 1 
ATOM 223 C C   . ASP A 1 31 ? -8.408  -2.714  3.094   1.00 62.66 31 A 1 
ATOM 224 O O   . ASP A 1 31 ? -7.552  -2.826  3.971   1.00 60.03 31 A 1 
ATOM 225 C CB  . ASP A 1 31 ? -8.194  -3.354  0.667   1.00 60.58 31 A 1 
ATOM 226 C CG  . ASP A 1 31 ? -7.979  -2.860  -0.751  1.00 55.29 31 A 1 
ATOM 227 O OD1 . ASP A 1 31 ? -7.699  -1.663  -0.925  1.00 52.03 31 A 1 
ATOM 228 O OD2 . ASP A 1 31 ? -8.091  -3.669  -1.684  1.00 52.08 31 A 1 
ATOM 229 N N   . PRO A 1 32 ? -9.682  -3.000  3.328   1.00 62.67 32 A 1 
ATOM 230 C CA  . PRO A 1 32 ? -10.140 -3.458  4.645   1.00 61.64 32 A 1 
ATOM 231 C C   . PRO A 1 32 ? -9.456  -4.745  5.103   1.00 61.64 32 A 1 
ATOM 232 O O   . PRO A 1 32 ? -9.868  -5.847  4.744   1.00 60.49 32 A 1 
ATOM 233 C CB  . PRO A 1 32 ? -11.644 -3.677  4.450   1.00 60.83 32 A 1 
ATOM 234 C CG  . PRO A 1 32 ? -11.838 -3.782  2.972   1.00 60.42 32 A 1 
ATOM 235 C CD  . PRO A 1 32 ? -10.788 -2.895  2.373   1.00 62.13 32 A 1 
ATOM 236 N N   . VAL A 1 33 ? -8.403  -4.596  5.886   1.00 60.73 33 A 1 
ATOM 237 C CA  . VAL A 1 33 ? -7.657  -5.733  6.427   1.00 61.06 33 A 1 
ATOM 238 C C   . VAL A 1 33 ? -7.109  -5.386  7.813   1.00 60.89 33 A 1 
ATOM 239 O O   . VAL A 1 33 ? -6.359  -6.144  8.413   1.00 58.29 33 A 1 
ATOM 240 C CB  . VAL A 1 33 ? -6.506  -6.139  5.481   1.00 59.28 33 A 1 
ATOM 241 C CG1 . VAL A 1 33 ? -5.418  -5.068  5.483   1.00 55.96 33 A 1 
ATOM 242 C CG2 . VAL A 1 33 ? -5.926  -7.493  5.859   1.00 57.10 33 A 1 
ATOM 243 N N   . ARG A 1 34 ? -7.504  -4.215  8.297   1.00 56.88 34 A 1 
ATOM 244 C CA  . ARG A 1 34 ? -7.078  -3.746  9.618   1.00 58.92 34 A 1 
ATOM 245 C C   . ARG A 1 34 ? -5.556  -3.660  9.732   1.00 58.40 34 A 1 
ATOM 246 O O   . ARG A 1 34 ? -4.968  -4.048  10.745  1.00 57.05 34 A 1 
ATOM 247 C CB  . ARG A 1 34 ? -7.644  -4.656  10.709  1.00 58.09 34 A 1 
ATOM 248 C CG  . ARG A 1 34 ? -9.142  -4.818  10.644  1.00 54.19 34 A 1 
ATOM 249 C CD  . ARG A 1 34 ? -9.619  -5.749  11.748  1.00 52.01 34 A 1 
ATOM 250 N NE  . ARG A 1 34 ? -9.486  -5.142  13.066  1.00 49.03 34 A 1 
ATOM 251 C CZ  . ARG A 1 34 ? -10.420 -4.418  13.656  1.00 44.98 34 A 1 
ATOM 252 N NH1 . ARG A 1 34 ? -11.582 -4.211  13.052  1.00 42.63 34 A 1 
ATOM 253 N NH2 . ARG A 1 34 ? -10.213 -3.898  14.847  1.00 41.12 34 A 1 
ATOM 254 N N   . SER A 1 35 ? -4.932  -3.146  8.680   1.00 57.79 35 A 1 
ATOM 255 C CA  . SER A 1 35 ? -3.482  -2.984  8.647   1.00 57.80 35 A 1 
ATOM 256 C C   . SER A 1 35 ? -3.068  -1.656  9.283   1.00 57.72 35 A 1 
ATOM 257 O O   . SER A 1 35 ? -2.462  -0.802  8.638   1.00 56.10 35 A 1 
ATOM 258 C CB  . SER A 1 35 ? -2.982  -3.054  7.209   1.00 55.88 35 A 1 
ATOM 259 O OG  . SER A 1 35 ? -3.623  -2.094  6.398   1.00 51.10 35 A 1 
ATOM 260 N N   . MET A 1 36 ? -3.380  -1.490  10.528  1.00 58.26 36 A 1 
ATOM 261 C CA  . MET A 1 36 ? -3.105  -0.247  11.249  1.00 59.16 36 A 1 
ATOM 262 C C   . MET A 1 36 ? -1.609  -0.024  11.450  1.00 59.20 36 A 1 
ATOM 263 O O   . MET A 1 36 ? -1.163  1.108   11.602  1.00 56.90 36 A 1 
ATOM 264 C CB  . MET A 1 36 ? -3.814  -0.259  12.604  1.00 57.92 36 A 1 
ATOM 265 C CG  . MET A 1 36 ? -5.322  -0.378  12.487  1.00 53.66 36 A 1 
ATOM 266 S SD  . MET A 1 36 ? -6.072  1.020   11.648  1.00 49.13 36 A 1 
ATOM 267 C CE  . MET A 1 36 ? -5.657  2.343   12.785  1.00 45.18 36 A 1 
ATOM 268 N N   . ASP A 1 37 ? -0.836  -1.096  11.453  1.00 56.48 37 A 1 
ATOM 269 C CA  . ASP A 1 37 ? 0.606   -1.002  11.680  1.00 58.58 37 A 1 
ATOM 270 C C   . ASP A 1 37 ? 1.357   -0.590  10.419  1.00 58.39 37 A 1 
ATOM 271 O O   . ASP A 1 37 ? 2.305   0.189   10.474  1.00 55.96 37 A 1 
ATOM 272 C CB  . ASP A 1 37 ? 1.151   -2.343  12.186  1.00 57.65 37 A 1 
ATOM 273 C CG  . ASP A 1 37 ? 2.642   -2.290  12.461  1.00 52.37 37 A 1 
ATOM 274 O OD1 . ASP A 1 37 ? 3.031   -1.731  13.504  1.00 49.21 37 A 1 
ATOM 275 O OD2 . ASP A 1 37 ? 3.419   -2.811  11.646  1.00 49.66 37 A 1 
ATOM 276 N N   . CYS A 1 38 ? 0.955   -1.108  9.276   1.00 54.35 38 A 1 
ATOM 277 C CA  . CYS A 1 38 ? 1.625   -0.841  8.011   1.00 53.20 38 A 1 
ATOM 278 C C   . CYS A 1 38 ? 0.825   0.089   7.106   1.00 51.71 38 A 1 
ATOM 279 O O   . CYS A 1 38 ? 1.279   0.458   6.027   1.00 49.76 38 A 1 
ATOM 280 C CB  . CYS A 1 38 ? 1.887   -2.162  7.283   1.00 52.57 38 A 1 
ATOM 281 S SG  . CYS A 1 38 ? 0.428   -3.231  7.208   1.00 49.30 38 A 1 
ATOM 282 N N   . ARG A 1 39 ? -0.341  0.472   7.533   1.00 54.72 39 A 1 
ATOM 283 C CA  . ARG A 1 39 ? -1.197  1.353   6.739   1.00 56.29 39 A 1 
ATOM 284 C C   . ARG A 1 39 ? -0.725  2.794   6.827   1.00 54.95 39 A 1 
ATOM 285 O O   . ARG A 1 39 ? -0.589  3.345   7.922   1.00 53.36 39 A 1 
ATOM 286 C CB  . ARG A 1 39 ? -2.647  1.257   7.215   1.00 54.86 39 A 1 
ATOM 287 C CG  . ARG A 1 39 ? -3.608  2.045   6.353   1.00 50.66 39 A 1 
ATOM 288 C CD  . ARG A 1 39 ? -5.007  2.021   6.933   1.00 47.84 39 A 1 
ATOM 289 N NE  . ARG A 1 39 ? -5.052  2.654   8.248   1.00 45.84 39 A 1 
ATOM 290 C CZ  . ARG A 1 39 ? -5.908  3.590   8.616   1.00 41.86 39 A 1 
ATOM 291 N NH1 . ARG A 1 39 ? -6.818  4.028   7.772   1.00 40.35 39 A 1 
ATOM 292 N NH2 . ARG A 1 39 ? -5.856  4.101   9.831   1.00 38.39 39 A 1 
ATOM 293 N N   . VAL A 1 40 ? -0.485  3.396   5.677   1.00 55.16 40 A 1 
ATOM 294 C CA  . VAL A 1 40 ? -0.038  4.785   5.616   1.00 55.83 40 A 1 
ATOM 295 C C   . VAL A 1 40 ? -1.091  5.651   4.925   1.00 55.43 40 A 1 
ATOM 296 O O   . VAL A 1 40 ? -1.712  5.219   3.957   1.00 52.53 40 A 1 
ATOM 297 C CB  . VAL A 1 40 ? 1.305   4.906   4.869   1.00 53.84 40 A 1 
ATOM 298 C CG1 . VAL A 1 40 ? 2.426   4.294   5.699   1.00 49.43 40 A 1 
ATOM 299 C CG2 . VAL A 1 40 ? 1.237   4.244   3.504   1.00 48.72 40 A 1 
ATOM 300 N N   . PRO A 1 41 ? -1.288  6.863   5.405   1.00 53.52 41 A 1 
ATOM 301 C CA  . PRO A 1 41 ? -2.277  7.782   4.835   1.00 53.63 41 A 1 
ATOM 302 C C   . PRO A 1 41 ? -1.800  8.443   3.536   1.00 52.97 41 A 1 
ATOM 303 O O   . PRO A 1 41 ? -1.856  9.662   3.403   1.00 50.47 41 A 1 
ATOM 304 C CB  . PRO A 1 41 ? -2.464  8.818   5.942   1.00 52.20 41 A 1 
ATOM 305 C CG  . PRO A 1 41 ? -1.146  8.848   6.647   1.00 49.99 41 A 1 
ATOM 306 C CD  . PRO A 1 41 ? -0.625  7.430   6.582   1.00 53.05 41 A 1 
ATOM 307 N N   . ARG A 1 42 ? -1.311  7.634   2.600   1.00 53.51 42 A 1 
ATOM 308 C CA  . ARG A 1 42 ? -0.810  8.157   1.326   1.00 53.08 42 A 1 
ATOM 309 C C   . ARG A 1 42 ? -1.692  7.675   0.187   1.00 50.11 42 A 1 
ATOM 310 O O   . ARG A 1 42 ? -1.569  6.505   -0.206  1.00 46.14 42 A 1 
ATOM 311 C CB  . ARG A 1 42 ? 0.623   7.714   1.075   1.00 51.53 42 A 1 
ATOM 312 C CG  . ARG A 1 42 ? 1.631   8.273   2.059   1.00 45.80 42 A 1 
ATOM 313 C CD  . ARG A 1 42 ? 1.707   9.778   1.985   1.00 43.03 42 A 1 
ATOM 314 N NE  . ARG A 1 42 ? 2.805   10.311  2.790   1.00 41.52 42 A 1 
ATOM 315 C CZ  . ARG A 1 42 ? 2.905   11.565  3.192   1.00 39.31 42 A 1 
ATOM 316 N NH1 . ARG A 1 42 ? 1.964   12.431  2.907   1.00 39.11 42 A 1 
ATOM 317 N NH2 . ARG A 1 42 ? 3.953   11.954  3.877   1.00 38.26 42 A 1 
ATOM 318 O OXT . ARG A 1 42 ? -2.487  8.452   -0.301  1.00 42.30 42 A 1 
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