# 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-3d
#
_entry.id sp-ring-3d
#
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 VAL 46 
1 n ILE 47 
1 n LEU 48 
1 n HIS 49 
1 n TYR 50 
1 n ILE 51 
1 n VAL 52 
1 n ASN 53 
1 n ASN 54 
1 n PRO 55 
1 n ASN 56 
1 n ALA 57 
1 n ASN 58 
1 n CYS 59 
1 n PRO 60 
1 n VAL 61 
1 n ALA 62 
1 n ASP 63 
1 n LYS 64 
1 n ILE 65 
1 n VAL 66 
1 n LEU 67 
1 n ALA 68 
1 n GLN 69 
1 n LYS 70 
1 n HIS 71 
1 n LEU 72 
#
_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 12:22:52)"
_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 73.59
_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 47.27 1 1  
A ASP 2  2 46.36 1 2  
A GLU 3  2 45.78 1 3  
A ASP 4  2 47.26 1 4  
A ILE 5  2 44.69 1 5  
A VAL 6  2 44.73 1 6  
A MET 7  2 42.04 1 7  
A THR 8  2 43.23 1 8  
A SER 9  2 44.39 1 9  
A THR 10 2 41.44 1 10 
A GLN 11 2 43.94 1 11 
A CYS 12 2 52.75 1 12 
A PRO 13 2 59.02 1 13 
A LEU 14 2 65.11 1 14 
A LEU 15 2 72.38 1 15 
A ASN 16 2 80.48 1 16 
A MET 17 2 78.91 1 17 
A THR 18 2 86.75 1 18 
A CYS 19 2 89.55 1 19 
A PRO 20 2 89.03 1 20 
A LEU 21 2 87.90 1 21 
A SER 22 2 89.65 1 22 
A GLY 23 2 91.53 1 23 
A LYS 24 2 86.75 1 24 
A PRO 25 2 90.46 1 25 
A VAL 26 2 86.04 1 26 
A THR 27 2 84.73 1 27 
A GLU 28 2 83.57 1 28 
A LEU 29 2 88.53 1 29 
A ALA 30 2 87.68 1 30 
A ASP 31 2 83.81 1 31 
A PRO 32 2 88.67 1 32 
A VAL 33 2 86.98 1 33 
A ARG 34 2 75.82 1 34 
A SER 35 2 81.35 1 35 
A MET 36 2 71.69 1 36 
A ASP 37 2 72.64 1 37 
A CYS 38 2 80.17 1 38 
A ARG 39 2 70.44 1 39 
A HIS 40 2 84.93 1 40 
A VAL 41 2 87.63 1 41 
A TYR 42 2 89.38 1 42 
A GLU 43 2 86.24 1 43 
A LYS 44 2 84.79 1 44 
A SER 45 2 88.43 1 45 
A VAL 46 2 88.55 1 46 
A ILE 47 2 85.68 1 47 
A LEU 48 2 84.74 1 48 
A HIS 49 2 83.84 1 49 
A TYR 50 2 86.34 1 50 
A ILE 51 2 81.94 1 51 
A VAL 52 2 85.26 1 52 
A ASN 53 2 84.53 1 53 
A ASN 54 2 80.02 1 54 
A PRO 55 2 79.27 1 55 
A ASN 56 2 73.94 1 56 
A ALA 57 2 79.09 1 57 
A ASN 58 2 75.46 1 58 
A CYS 59 2 81.94 1 59 
A PRO 60 2 82.28 1 60 
A VAL 61 2 79.56 1 61 
A ALA 62 2 77.06 1 62 
A ASP 63 2 72.15 1 63 
A LYS 64 2 73.30 1 64 
A ILE 65 2 73.96 1 65 
A VAL 66 2 76.63 1 66 
A LEU 67 2 69.40 1 67 
A ALA 68 2 69.46 1 68 
A GLN 69 2 58.30 1 69 
A LYS 70 2 55.58 1 70 
A HIS 71 2 51.77 1 71 
A LEU 72 2 55.37 1 72 
#
_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 VAL . 46 A 46 
A 47 1 n ILE . 47 A 47 
A 48 1 n LEU . 48 A 48 
A 49 1 n HIS . 49 A 49 
A 50 1 n TYR . 50 A 50 
A 51 1 n ILE . 51 A 51 
A 52 1 n VAL . 52 A 52 
A 53 1 n ASN . 53 A 53 
A 54 1 n ASN . 54 A 54 
A 55 1 n PRO . 55 A 55 
A 56 1 n ASN . 56 A 56 
A 57 1 n ALA . 57 A 57 
A 58 1 n ASN . 58 A 58 
A 59 1 n CYS . 59 A 59 
A 60 1 n PRO . 60 A 60 
A 61 1 n VAL . 61 A 61 
A 62 1 n ALA . 62 A 62 
A 63 1 n ASP . 63 A 63 
A 64 1 n LYS . 64 A 64 
A 65 1 n ILE . 65 A 65 
A 66 1 n VAL . 66 A 66 
A 67 1 n LEU . 67 A 67 
A 68 1 n ALA . 68 A 68 
A 69 1 n GLN . 69 A 69 
A 70 1 n LYS . 70 A 70 
A 71 1 n HIS . 71 A 71 
A 72 1 n LEU . 72 A 72 
#
_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  ? 6.114   22.082 18.810  1.00 43.85 1  A 1 
ATOM 2   C CA  . ASP A 1 1  ? 7.224   22.241 17.862  1.00 51.97 1  A 1 
ATOM 3   C C   . ASP A 1 1  ? 7.363   20.995 17.000  1.00 55.41 1  A 1 
ATOM 4   O O   . ASP A 1 1  ? 7.825   19.960 17.470  1.00 52.57 1  A 1 
ATOM 5   C CB  . ASP A 1 1  ? 8.520   22.501 18.621  1.00 49.60 1  A 1 
ATOM 6   C CG  . ASP A 1 1  ? 8.382   23.697 19.544  1.00 43.49 1  A 1 
ATOM 7   O OD1 . ASP A 1 1  ? 8.276   24.824 19.022  1.00 39.83 1  A 1 
ATOM 8   O OD2 . ASP A 1 1  ? 8.323   23.492 20.774  1.00 41.42 1  A 1 
ATOM 9   N N   . ASP A 1 2  ? 6.954   21.095 15.763  1.00 45.94 2  A 1 
ATOM 10  C CA  . ASP A 1 2  ? 7.021   19.962 14.836  1.00 50.42 2  A 1 
ATOM 11  C C   . ASP A 1 2  ? 8.306   20.007 13.997  1.00 51.76 2  A 1 
ATOM 12  O O   . ASP A 1 2  ? 8.434   19.317 12.986  1.00 50.12 2  A 1 
ATOM 13  C CB  . ASP A 1 2  ? 5.784   19.958 13.932  1.00 49.43 2  A 1 
ATOM 14  C CG  . ASP A 1 2  ? 4.487   19.777 14.703  1.00 43.20 2  A 1 
ATOM 15  O OD1 . ASP A 1 2  ? 4.171   18.623 15.065  1.00 39.42 2  A 1 
ATOM 16  O OD2 . ASP A 1 2  ? 3.787   20.776 14.927  1.00 40.58 2  A 1 
ATOM 17  N N   . GLU A 1 3  ? 9.241   20.831 14.417  1.00 46.70 3  A 1 
ATOM 18  C CA  . GLU A 1 3  ? 10.486  21.044 13.677  1.00 49.97 3  A 1 
ATOM 19  C C   . GLU A 1 3  ? 11.408  19.820 13.745  1.00 51.60 3  A 1 
ATOM 20  O O   . GLU A 1 3  ? 12.211  19.581 12.845  1.00 49.16 3  A 1 
ATOM 21  C CB  . GLU A 1 3  ? 11.183  22.291 14.235  1.00 49.38 3  A 1 
ATOM 22  C CG  . GLU A 1 3  ? 12.278  22.835 13.334  1.00 43.78 3  A 1 
ATOM 23  C CD  . GLU A 1 3  ? 12.801  24.179 13.829  1.00 40.78 3  A 1 
ATOM 24  O OE1 . GLU A 1 3  ? 12.411  25.207 13.257  1.00 38.72 3  A 1 
ATOM 25  O OE2 . GLU A 1 3  ? 13.588  24.181 14.793  1.00 41.92 3  A 1 
ATOM 26  N N   . ASP A 1 4  ? 11.257  19.038 14.815  1.00 47.43 4  A 1 
ATOM 27  C CA  . ASP A 1 4  ? 12.096  17.855 15.014  1.00 51.27 4  A 1 
ATOM 28  C C   . ASP A 1 4  ? 11.655  16.666 14.160  1.00 51.63 4  A 1 
ATOM 29  O O   . ASP A 1 4  ? 12.366  15.663 14.064  1.00 51.04 4  A 1 
ATOM 30  C CB  . ASP A 1 4  ? 12.103  17.460 16.493  1.00 50.82 4  A 1 
ATOM 31  C CG  . ASP A 1 4  ? 12.866  18.460 17.342  1.00 44.48 4  A 1 
ATOM 32  O OD1 . ASP A 1 4  ? 14.113  18.387 17.356  1.00 40.00 4  A 1 
ATOM 33  O OD2 . ASP A 1 4  ? 12.219  19.297 17.991  1.00 41.38 4  A 1 
ATOM 34  N N   . ILE A 1 5  ? 10.485  16.768 13.537  1.00 45.03 5  A 1 
ATOM 35  C CA  . ILE A 1 5  ? 9.993   15.703 12.661  1.00 46.73 5  A 1 
ATOM 36  C C   . ILE A 1 5  ? 10.551  15.897 11.247  1.00 45.59 5  A 1 
ATOM 37  O O   . ILE A 1 5  ? 9.823   15.927 10.251  1.00 44.38 5  A 1 
ATOM 38  C CB  . ILE A 1 5  ? 8.450   15.609 12.663  1.00 47.71 5  A 1 
ATOM 39  C CG1 . ILE A 1 5  ? 7.905   15.618 14.101  1.00 43.76 5  A 1 
ATOM 40  C CG2 . ILE A 1 5  ? 7.983   14.330 11.958  1.00 42.96 5  A 1 
ATOM 41  C CD1 . ILE A 1 5  ? 6.386   15.605 14.198  1.00 41.40 5  A 1 
ATOM 42  N N   . VAL A 1 6  ? 11.870  16.044 11.185  1.00 45.40 6  A 1 
ATOM 43  C CA  . VAL A 1 6  ? 12.542  16.135 9.896   1.00 47.25 6  A 1 
ATOM 44  C C   . VAL A 1 6  ? 12.901  14.720 9.448   1.00 47.37 6  A 1 
ATOM 45  O O   . VAL A 1 6  ? 13.865  14.110 9.903   1.00 45.82 6  A 1 
ATOM 46  C CB  . VAL A 1 6  ? 13.759  17.085 9.944   1.00 46.64 6  A 1 
ATOM 47  C CG1 . VAL A 1 6  ? 14.838  16.648 10.933  1.00 40.29 6  A 1 
ATOM 48  C CG2 . VAL A 1 6  ? 14.358  17.255 8.553   1.00 40.32 6  A 1 
ATOM 49  N N   . MET A 1 7  ? 12.073  14.174 8.583   1.00 44.20 7  A 1 
ATOM 50  C CA  . MET A 1 7  ? 12.294  12.835 8.046   1.00 45.20 7  A 1 
ATOM 51  C C   . MET A 1 7  ? 13.368  12.866 6.953   1.00 44.62 7  A 1 
ATOM 52  O O   . MET A 1 7  ? 13.102  12.594 5.783   1.00 42.78 7  A 1 
ATOM 53  C CB  . MET A 1 7  ? 10.986  12.242 7.512   1.00 44.67 7  A 1 
ATOM 54  C CG  . MET A 1 7  ? 9.922   12.086 8.589   1.00 40.76 7  A 1 
ATOM 55  S SD  . MET A 1 7  ? 8.394   11.368 7.961   1.00 37.84 7  A 1 
ATOM 56  C CE  . MET A 1 7  ? 7.365   11.486 9.422   1.00 36.21 7  A 1 
ATOM 57  N N   . THR A 1 8  ? 14.583  13.222 7.350   1.00 44.60 8  A 1 
ATOM 58  C CA  . THR A 1 8  ? 15.731  13.229 6.445   1.00 46.26 8  A 1 
ATOM 59  C C   . THR A 1 8  ? 16.319  11.828 6.331   1.00 46.21 8  A 1 
ATOM 60  O O   . THR A 1 8  ? 17.474  11.574 6.676   1.00 43.44 8  A 1 
ATOM 61  C CB  . THR A 1 8  ? 16.813  14.220 6.898   1.00 44.33 8  A 1 
ATOM 62  O OG1 . THR A 1 8  ? 16.971  14.173 8.308   1.00 39.64 8  A 1 
ATOM 63  C CG2 . THR A 1 8  ? 16.459  15.638 6.489   1.00 38.15 8  A 1 
ATOM 64  N N   . SER A 1 9  ? 15.495  10.903 5.851   1.00 45.01 9  A 1 
ATOM 65  C CA  . SER A 1 9  ? 15.988  9.567  5.555   1.00 46.50 9  A 1 
ATOM 66  C C   . SER A 1 9  ? 16.595  9.584  4.158   1.00 46.21 9  A 1 
ATOM 67  O O   . SER A 1 9  ? 15.902  9.820  3.172   1.00 43.92 9  A 1 
ATOM 68  C CB  . SER A 1 9  ? 14.865  8.539  5.650   1.00 44.60 9  A 1 
ATOM 69  O OG  . SER A 1 9  ? 15.379  7.236  5.495   1.00 40.09 9  A 1 
ATOM 70  N N   . THR A 1 10 ? 17.900  9.349  4.085   1.00 43.54 10 A 1 
ATOM 71  C CA  . THR A 1 10 ? 18.616  9.285  2.809   1.00 44.51 10 A 1 
ATOM 72  C C   . THR A 1 10 ? 18.150  8.090  1.981   1.00 45.68 10 A 1 
ATOM 73  O O   . THR A 1 10 ? 18.361  8.025  0.773   1.00 43.14 10 A 1 
ATOM 74  C CB  . THR A 1 10 ? 20.131  9.181  3.043   1.00 41.20 10 A 1 
ATOM 75  O OG1 . THR A 1 10 ? 20.515  9.990  4.148   1.00 36.60 10 A 1 
ATOM 76  C CG2 . THR A 1 10 ? 20.921  9.638  1.829   1.00 35.42 10 A 1 
ATOM 77  N N   . GLN A 1 11 ? 17.523  7.135  2.660   1.00 49.13 11 A 1 
ATOM 78  C CA  . GLN A 1 11 ? 16.943  5.972  2.008   1.00 49.82 11 A 1 
ATOM 79  C C   . GLN A 1 11 ? 15.559  6.318  1.459   1.00 51.93 11 A 1 
ATOM 80  O O   . GLN A 1 11 ? 15.027  7.402  1.704   1.00 49.29 11 A 1 
ATOM 81  C CB  . GLN A 1 11 ? 16.858  4.807  3.003   1.00 46.60 11 A 1 
ATOM 82  C CG  . GLN A 1 11 ? 18.210  4.386  3.546   1.00 41.24 11 A 1 
ATOM 83  C CD  . GLN A 1 11 ? 18.102  3.236  4.527   1.00 37.00 11 A 1 
ATOM 84  O OE1 . GLN A 1 11 ? 17.620  3.392  5.640   1.00 35.49 11 A 1 
ATOM 85  N NE2 . GLN A 1 11 ? 18.549  2.061  4.139   1.00 34.95 11 A 1 
ATOM 86  N N   . CYS A 1 12 ? 14.981  5.377  0.714   1.00 54.36 12 A 1 
ATOM 87  C CA  . CYS A 1 12 ? 13.637  5.576  0.178   1.00 54.73 12 A 1 
ATOM 88  C C   . CYS A 1 12 ? 12.643  5.821  1.322   1.00 57.09 12 A 1 
ATOM 89  O O   . CYS A 1 12 ? 12.677  5.102  2.321   1.00 53.76 12 A 1 
ATOM 90  C CB  . CYS A 1 12 ? 13.215  4.350  -0.639  1.00 51.20 12 A 1 
ATOM 91  S SG  . CYS A 1 12 ? 14.288  4.096  -2.085  1.00 45.36 12 A 1 
ATOM 92  N N   . PRO A 1 13 ? 11.748  6.804  1.188   1.00 59.78 13 A 1 
ATOM 93  C CA  . PRO A 1 13 ? 10.772  7.143  2.229   1.00 60.71 13 A 1 
ATOM 94  C C   . PRO A 1 13 ? 9.657   6.101  2.351   1.00 63.28 13 A 1 
ATOM 95  O O   . PRO A 1 13 ? 8.662   6.313  3.044   1.00 61.11 13 A 1 
ATOM 96  C CB  . PRO A 1 13 ? 10.229  8.504  1.781   1.00 56.80 13 A 1 
ATOM 97  C CG  . PRO A 1 13 ? 10.362  8.477  0.286   1.00 55.16 13 A 1 
ATOM 98  C CD  . PRO A 1 13 ? 11.627  7.683  0.027   1.00 56.31 13 A 1 
ATOM 99  N N   . LEU A 1 14 ? 9.827   4.975  1.681   1.00 66.84 14 A 1 
ATOM 100 C CA  . LEU A 1 14 ? 8.840   3.911  1.648   1.00 69.29 14 A 1 
ATOM 101 C C   . LEU A 1 14 ? 9.148   2.853  2.708   1.00 71.91 14 A 1 
ATOM 102 O O   . LEU A 1 14 ? 10.294  2.440  2.870   1.00 69.84 14 A 1 
ATOM 103 C CB  . LEU A 1 14 ? 8.805   3.278  0.255   1.00 65.51 14 A 1 
ATOM 104 C CG  . LEU A 1 14 ? 8.559   4.264  -0.895  1.00 60.55 14 A 1 
ATOM 105 C CD1 . LEU A 1 14 ? 8.647   3.550  -2.234  1.00 58.09 14 A 1 
ATOM 106 C CD2 . LEU A 1 14 ? 7.207   4.947  -0.744  1.00 58.84 14 A 1 
ATOM 107 N N   . LEU A 1 15 ? 8.114   2.416  3.413   1.00 75.15 15 A 1 
ATOM 108 C CA  . LEU A 1 15 ? 8.254   1.385  4.438   1.00 77.27 15 A 1 
ATOM 109 C C   . LEU A 1 15 ? 8.286   -0.015 3.830   1.00 80.11 15 A 1 
ATOM 110 O O   . LEU A 1 15 ? 8.815   -0.950 4.428   1.00 76.86 15 A 1 
ATOM 111 C CB  . LEU A 1 15 ? 7.104   1.494  5.447   1.00 73.30 15 A 1 
ATOM 112 C CG  . LEU A 1 15 ? 7.066   2.790  6.266   1.00 68.13 15 A 1 
ATOM 113 C CD1 . LEU A 1 15 ? 5.826   2.812  7.143   1.00 64.42 15 A 1 
ATOM 114 C CD2 . LEU A 1 15 ? 8.313   2.934  7.124   1.00 63.79 15 A 1 
ATOM 115 N N   . ASN A 1 16 ? 7.718   -0.146 2.646   1.00 82.23 16 A 1 
ATOM 116 C CA  . ASN A 1 16 ? 7.656   -1.418 1.949   1.00 83.36 16 A 1 
ATOM 117 C C   . ASN A 1 16 ? 8.233   -1.292 0.544   1.00 84.23 16 A 1 
ATOM 118 O O   . ASN A 1 16 ? 8.029   -0.289 -0.136  1.00 82.69 16 A 1 
ATOM 119 C CB  . ASN A 1 16 ? 6.211   -1.945 1.909   1.00 81.17 16 A 1 
ATOM 120 C CG  . ASN A 1 16 ? 5.239   -0.996 1.241   1.00 80.59 16 A 1 
ATOM 121 O OD1 . ASN A 1 16 ? 5.075   0.150  1.645   1.00 72.87 16 A 1 
ATOM 122 N ND2 . ASN A 1 16 ? 4.561   -1.470 0.216   1.00 76.74 16 A 1 
ATOM 123 N N   . MET A 1 17 ? 8.960   -2.314 0.118   1.00 85.30 17 A 1 
ATOM 124 C CA  . MET A 1 17 ? 9.563   -2.337 -1.212  1.00 85.72 17 A 1 
ATOM 125 C C   . MET A 1 17 ? 8.591   -2.882 -2.254  1.00 88.76 17 A 1 
ATOM 126 O O   . MET A 1 17 ? 8.705   -2.589 -3.440  1.00 87.40 17 A 1 
ATOM 127 C CB  . MET A 1 17 ? 10.835  -3.187 -1.194  1.00 82.32 17 A 1 
ATOM 128 C CG  . MET A 1 17 ? 11.912  -2.635 -0.271  1.00 75.39 17 A 1 
ATOM 129 S SD  . MET A 1 17 ? 13.431  -3.607 -0.284  1.00 66.69 17 A 1 
ATOM 130 C CE  . MET A 1 17 ? 12.875  -5.114 0.499   1.00 59.71 17 A 1 
ATOM 131 N N   . THR A 1 18 ? 7.641   -3.682 -1.795  1.00 87.99 18 A 1 
ATOM 132 C CA  . THR A 1 18 ? 6.646   -4.292 -2.664  1.00 89.28 18 A 1 
ATOM 133 C C   . THR A 1 18 ? 5.249   -4.101 -2.087  1.00 89.71 18 A 1 
ATOM 134 O O   . THR A 1 18 ? 5.083   -3.901 -0.882  1.00 88.02 18 A 1 
ATOM 135 C CB  . THR A 1 18 ? 6.913   -5.802 -2.852  1.00 88.65 18 A 1 
ATOM 136 O OG1 . THR A 1 18 ? 6.953   -6.455 -1.590  1.00 82.25 18 A 1 
ATOM 137 C CG2 . THR A 1 18 ? 8.231   -6.058 -3.567  1.00 81.32 18 A 1 
ATOM 138 N N   . CYS A 1 19 ? 4.257   -4.154 -2.945  1.00 90.02 19 A 1 
ATOM 139 C CA  . CYS A 1 19 ? 2.870   -4.084 -2.509  1.00 89.94 19 A 1 
ATOM 140 C C   . CYS A 1 19 ? 2.487   -5.398 -1.815  1.00 90.10 19 A 1 
ATOM 141 O O   . CYS A 1 19 ? 2.555   -6.454 -2.444  1.00 89.68 19 A 1 
ATOM 142 C CB  . CYS A 1 19 ? 1.963   -3.819 -3.715  1.00 89.62 19 A 1 
ATOM 143 S SG  . CYS A 1 19 ? 0.205   -3.830 -3.287  1.00 87.91 19 A 1 
ATOM 144 N N   . PRO A 1 20 ? 2.082   -5.353 -0.533  1.00 90.41 20 A 1 
ATOM 145 C CA  . PRO A 1 20 ? 1.722   -6.563 0.221   1.00 89.75 20 A 1 
ATOM 146 C C   . PRO A 1 20 ? 0.553   -7.337 -0.389  1.00 90.11 20 A 1 
ATOM 147 O O   . PRO A 1 20 ? 0.373   -8.518 -0.094  1.00 88.34 20 A 1 
ATOM 148 C CB  . PRO A 1 20 ? 1.349   -6.033 1.613   1.00 88.53 20 A 1 
ATOM 149 C CG  . PRO A 1 20 ? 2.052   -4.713 1.721   1.00 86.92 20 A 1 
ATOM 150 C CD  . PRO A 1 20 ? 2.033   -4.155 0.316   1.00 89.15 20 A 1 
ATOM 151 N N   . LEU A 1 21 ? -0.238  -6.679 -1.224  1.00 89.55 21 A 1 
ATOM 152 C CA  . LEU A 1 21 ? -1.412  -7.302 -1.828  1.00 89.46 21 A 1 
ATOM 153 C C   . LEU A 1 21 ? -1.124  -7.874 -3.218  1.00 89.54 21 A 1 
ATOM 154 O O   . LEU A 1 21 ? -1.534  -8.990 -3.527  1.00 87.24 21 A 1 
ATOM 155 C CB  . LEU A 1 21 ? -2.562  -6.290 -1.898  1.00 88.59 21 A 1 
ATOM 156 C CG  . LEU A 1 21 ? -3.067  -5.772 -0.545  1.00 87.53 21 A 1 
ATOM 157 C CD1 . LEU A 1 21 ? -4.151  -4.722 -0.751  1.00 85.91 21 A 1 
ATOM 158 C CD2 . LEU A 1 21 ? -3.600  -6.903 0.320   1.00 85.41 21 A 1 
ATOM 159 N N   . SER A 1 22 ? -0.424  -7.115 -4.051  1.00 90.38 22 A 1 
ATOM 160 C CA  . SER A 1 22 ? -0.123  -7.549 -5.417  1.00 90.82 22 A 1 
ATOM 161 C C   . SER A 1 22 ? 1.245   -8.220 -5.539  1.00 91.45 22 A 1 
ATOM 162 O O   . SER A 1 22 ? 1.495   -8.967 -6.484  1.00 89.66 22 A 1 
ATOM 163 C CB  . SER A 1 22 ? -0.209  -6.367 -6.388  1.00 89.83 22 A 1 
ATOM 164 O OG  . SER A 1 22 ? 0.789   -5.407 -6.124  1.00 85.74 22 A 1 
ATOM 165 N N   . GLY A 1 23 ? 2.131   -7.944 -4.584  1.00 90.77 23 A 1 
ATOM 166 C CA  . GLY A 1 23 ? 3.482   -8.498 -4.597  1.00 91.30 23 A 1 
ATOM 167 C C   . GLY A 1 23 ? 4.427   -7.783 -5.551  1.00 92.86 23 A 1 
ATOM 168 O O   . GLY A 1 23 ? 5.617   -8.094 -5.605  1.00 91.18 23 A 1 
ATOM 169 N N   . LYS A 1 24 ? 3.919   -6.823 -6.294  1.00 91.27 24 A 1 
ATOM 170 C CA  . LYS A 1 24 ? 4.725   -6.056 -7.239  1.00 91.68 24 A 1 
ATOM 171 C C   . LYS A 1 24 ? 5.577   -5.018 -6.509  1.00 92.04 24 A 1 
ATOM 172 O O   . LYS A 1 24 ? 5.143   -4.470 -5.493  1.00 91.38 24 A 1 
ATOM 173 C CB  . LYS A 1 24 ? 3.833   -5.337 -8.251  1.00 90.87 24 A 1 
ATOM 174 C CG  . LYS A 1 24 ? 3.069   -6.256 -9.189  1.00 86.60 24 A 1 
ATOM 175 C CD  . LYS A 1 24 ? 2.198   -5.410 -10.115 1.00 84.73 24 A 1 
ATOM 176 C CE  . LYS A 1 24 ? 1.361   -6.251 -11.061 1.00 79.63 24 A 1 
ATOM 177 N NZ  . LYS A 1 24 ? 0.416   -5.390 -11.817 1.00 72.59 24 A 1 
ATOM 178 N N   . PRO A 1 25 ? 6.785   -4.718 -7.019  1.00 91.38 25 A 1 
ATOM 179 C CA  . PRO A 1 25 ? 7.601   -3.629 -6.477  1.00 91.28 25 A 1 
ATOM 180 C C   . PRO A 1 25 ? 6.868   -2.294 -6.598  1.00 91.01 25 A 1 
ATOM 181 O O   . PRO A 1 25 ? 6.150   -2.067 -7.570  1.00 89.73 25 A 1 
ATOM 182 C CB  . PRO A 1 25 ? 8.865   -3.632 -7.345  1.00 90.46 25 A 1 
ATOM 183 C CG  . PRO A 1 25 ? 8.897   -4.986 -7.987  1.00 88.43 25 A 1 
ATOM 184 C CD  . PRO A 1 25 ? 7.452   -5.389 -8.137  1.00 90.94 25 A 1 
ATOM 185 N N   . VAL A 1 26 ? 7.060   -1.406 -5.619  1.00 89.64 26 A 1 
ATOM 186 C CA  . VAL A 1 26 ? 6.393   -0.101 -5.620  1.00 88.63 26 A 1 
ATOM 187 C C   . VAL A 1 26 ? 6.778   0.742  -6.838  1.00 88.60 26 A 1 
ATOM 188 O O   . VAL A 1 26 ? 6.038   1.635  -7.240  1.00 86.91 26 A 1 
ATOM 189 C CB  . VAL A 1 26 ? 6.682   0.687  -4.321  1.00 87.06 26 A 1 
ATOM 190 C CG1 . VAL A 1 26 ? 6.102   -0.037 -3.112  1.00 79.99 26 A 1 
ATOM 191 C CG2 . VAL A 1 26 ? 8.179   0.920  -4.128  1.00 81.42 26 A 1 
ATOM 192 N N   . THR A 1 27 ? 7.928   0.436  -7.427  1.00 89.04 27 A 1 
ATOM 193 C CA  . THR A 1 27 ? 8.413   1.124  -8.622  1.00 88.08 27 A 1 
ATOM 194 C C   . THR A 1 27 ? 7.709   0.640  -9.891  1.00 88.59 27 A 1 
ATOM 195 O O   . THR A 1 27 ? 7.733   1.322  -10.914 1.00 86.70 27 A 1 
ATOM 196 C CB  . THR A 1 27 ? 9.929   0.923  -8.776  1.00 85.93 27 A 1 
ATOM 197 O OG1 . THR A 1 27 ? 10.251  -0.459 -8.701  1.00 78.70 27 A 1 
ATOM 198 C CG2 . THR A 1 27 ? 10.692  1.656  -7.683  1.00 76.07 27 A 1 
ATOM 199 N N   . GLU A 1 28 ? 7.093   -0.531 -9.813  1.00 89.43 28 A 1 
ATOM 200 C CA  . GLU A 1 28 ? 6.396   -1.136 -10.950 1.00 89.32 28 A 1 
ATOM 201 C C   . GLU A 1 28 ? 4.893   -0.862 -10.910 1.00 89.36 28 A 1 
ATOM 202 O O   . GLU A 1 28 ? 4.152   -1.263 -11.807 1.00 87.34 28 A 1 
ATOM 203 C CB  . GLU A 1 28 ? 6.644   -2.654 -10.970 1.00 88.22 28 A 1 
ATOM 204 C CG  . GLU A 1 28 ? 8.063   -3.044 -11.361 1.00 82.30 28 A 1 
ATOM 205 C CD  . GLU A 1 28 ? 8.291   -3.014 -12.864 1.00 78.33 28 A 1 
ATOM 206 O OE1 . GLU A 1 28 ? 7.399   -3.442 -13.617 1.00 73.36 28 A 1 
ATOM 207 O OE2 . GLU A 1 28 ? 9.375   -2.578 -13.290 1.00 74.44 28 A 1 
ATOM 208 N N   . LEU A 1 29 ? 4.439   -0.189 -9.859  1.00 89.97 29 A 1 
ATOM 209 C CA  . LEU A 1 29 ? 3.025   0.110  -9.693  1.00 89.68 29 A 1 
ATOM 210 C C   . LEU A 1 29 ? 2.603   1.245  -10.625 1.00 89.01 29 A 1 
ATOM 211 O O   . LEU A 1 29 ? 3.275   2.272  -10.708 1.00 87.74 29 A 1 
ATOM 212 C CB  . LEU A 1 29 ? 2.714   0.476  -8.236  1.00 89.53 29 A 1 
ATOM 213 C CG  . LEU A 1 29 ? 3.111   -0.569 -7.188  1.00 88.93 29 A 1 
ATOM 214 C CD1 . LEU A 1 29 ? 2.735   -0.095 -5.791  1.00 86.75 29 A 1 
ATOM 215 C CD2 . LEU A 1 29 ? 2.463   -1.917 -7.471  1.00 86.60 29 A 1 
ATOM 216 N N   . ALA A 1 30 ? 1.490   1.048  -11.305 1.00 90.07 30 A 1 
ATOM 217 C CA  . ALA A 1 30 ? 0.965   2.063  -12.210 1.00 88.54 30 A 1 
ATOM 218 C C   . ALA A 1 30 ? 0.500   3.302  -11.443 1.00 88.42 30 A 1 
ATOM 219 O O   . ALA A 1 30 ? 0.830   4.431  -11.804 1.00 84.82 30 A 1 
ATOM 220 C CB  . ALA A 1 30 ? -0.181  1.474  -13.028 1.00 86.56 30 A 1 
ATOM 221 N N   . ASP A 1 31 ? -0.239  3.074  -10.363 1.00 89.54 31 A 1 
ATOM 222 C CA  . ASP A 1 31 ? -0.727  4.140  -9.498  1.00 89.59 31 A 1 
ATOM 223 C C   . ASP A 1 31 ? -0.527  3.741  -8.034  1.00 90.46 31 A 1 
ATOM 224 O O   . ASP A 1 31 ? -1.434  3.186  -7.406  1.00 88.93 31 A 1 
ATOM 225 C CB  . ASP A 1 31 ? -2.208  4.425  -9.776  1.00 86.68 31 A 1 
ATOM 226 C CG  . ASP A 1 31 ? -2.424  5.248  -11.033 1.00 78.18 31 A 1 
ATOM 227 O OD1 . ASP A 1 31 ? -2.351  6.492  -10.943 1.00 73.55 31 A 1 
ATOM 228 O OD2 . ASP A 1 31 ? -2.696  4.649  -12.091 1.00 73.51 31 A 1 
ATOM 229 N N   . PRO A 1 32 ? 0.674   3.992  -7.485  1.00 90.00 32 A 1 
ATOM 230 C CA  . PRO A 1 32 ? 0.938   3.670  -6.085  1.00 89.60 32 A 1 
ATOM 231 C C   . PRO A 1 32 ? 0.232   4.648  -5.145  1.00 89.19 32 A 1 
ATOM 232 O O   . PRO A 1 32 ? 0.324   5.866  -5.308  1.00 87.56 32 A 1 
ATOM 233 C CB  . PRO A 1 32 ? 2.460   3.767  -5.963  1.00 88.51 32 A 1 
ATOM 234 C CG  . PRO A 1 32 ? 2.864   4.727  -7.040  1.00 86.56 32 A 1 
ATOM 235 C CD  . PRO A 1 32 ? 1.859   4.536  -8.152  1.00 89.29 32 A 1 
ATOM 236 N N   . VAL A 1 33 ? -0.469  4.103  -4.158  1.00 89.61 33 A 1 
ATOM 237 C CA  . VAL A 1 33 ? -1.133  4.900  -3.129  1.00 89.16 33 A 1 
ATOM 238 C C   . VAL A 1 33 ? -0.622  4.491  -1.758  1.00 88.95 33 A 1 
ATOM 239 O O   . VAL A 1 33 ? -0.293  3.329  -1.525  1.00 87.94 33 A 1 
ATOM 240 C CB  . VAL A 1 33 ? -2.674  4.767  -3.186  1.00 87.99 33 A 1 
ATOM 241 C CG1 . VAL A 1 33 ? -3.215  5.385  -4.474  1.00 82.44 33 A 1 
ATOM 242 C CG2 . VAL A 1 33 ? -3.121  3.317  -3.069  1.00 82.77 33 A 1 
ATOM 243 N N   . ARG A 1 34 ? -0.543  5.450  -0.857  1.00 85.90 34 A 1 
ATOM 244 C CA  . ARG A 1 34 ? -0.029  5.206  0.487   1.00 84.98 34 A 1 
ATOM 245 C C   . ARG A 1 34 ? -1.158  5.261  1.501   1.00 84.07 34 A 1 
ATOM 246 O O   . ARG A 1 34 ? -1.953  6.198  1.507   1.00 82.18 34 A 1 
ATOM 247 C CB  . ARG A 1 34 ? 1.073   6.221  0.802   1.00 83.26 34 A 1 
ATOM 248 C CG  . ARG A 1 34 ? 1.630   6.129  2.206   1.00 77.04 34 A 1 
ATOM 249 C CD  . ARG A 1 34 ? 2.900   6.946  2.330   1.00 74.57 34 A 1 
ATOM 250 N NE  . ARG A 1 34 ? 3.089   7.503  3.675   1.00 71.18 34 A 1 
ATOM 251 C CZ  . ARG A 1 34 ? 2.710   8.732  4.047   1.00 66.75 34 A 1 
ATOM 252 N NH1 . ARG A 1 34 ? 2.106   9.544  3.199   1.00 62.52 34 A 1 
ATOM 253 N NH2 . ARG A 1 34 ? 2.938   9.150  5.273   1.00 61.62 34 A 1 
ATOM 254 N N   . SER A 1 35 ? -1.202  4.260  2.366   1.00 85.35 35 A 1 
ATOM 255 C CA  . SER A 1 35 ? -2.164  4.234  3.462   1.00 83.53 35 A 1 
ATOM 256 C C   . SER A 1 35 ? -1.718  5.185  4.573   1.00 82.99 35 A 1 
ATOM 257 O O   . SER A 1 35 ? -0.540  5.225  4.926   1.00 81.34 35 A 1 
ATOM 258 C CB  . SER A 1 35 ? -2.309  2.811  4.003   1.00 81.71 35 A 1 
ATOM 259 O OG  . SER A 1 35 ? -3.168  2.775  5.123   1.00 73.17 35 A 1 
ATOM 260 N N   . MET A 1 36 ? -2.648  5.946  5.115   1.00 80.28 36 A 1 
ATOM 261 C CA  . MET A 1 36 ? -2.332  6.899  6.183   1.00 78.21 36 A 1 
ATOM 262 C C   . MET A 1 36 ? -2.014  6.198  7.507   1.00 78.71 36 A 1 
ATOM 263 O O   . MET A 1 36 ? -1.137  6.636  8.249   1.00 75.09 36 A 1 
ATOM 264 C CB  . MET A 1 36 ? -3.495  7.879  6.384   1.00 75.56 36 A 1 
ATOM 265 C CG  . MET A 1 36 ? -3.752  8.772  5.180   1.00 68.26 36 A 1 
ATOM 266 S SD  . MET A 1 36 ? -4.986  10.046 5.513   1.00 61.51 36 A 1 
ATOM 267 C CE  . MET A 1 36 ? -4.064  11.142 6.592   1.00 55.92 36 A 1 
ATOM 268 N N   . ASP A 1 37 ? -2.720  5.114  7.790   1.00 79.06 37 A 1 
ATOM 269 C CA  . ASP A 1 37 ? -2.588  4.424  9.072   1.00 78.37 37 A 1 
ATOM 270 C C   . ASP A 1 37 ? -1.299  3.609  9.182   1.00 79.54 37 A 1 
ATOM 271 O O   . ASP A 1 37 ? -0.545  3.748  10.144  1.00 75.03 37 A 1 
ATOM 272 C CB  . ASP A 1 37 ? -3.807  3.524  9.299   1.00 75.58 37 A 1 
ATOM 273 C CG  . ASP A 1 37 ? -5.047  4.329  9.630   1.00 68.13 37 A 1 
ATOM 274 O OD1 . ASP A 1 37 ? -5.711  4.815  8.693   1.00 62.81 37 A 1 
ATOM 275 O OD2 . ASP A 1 37 ? -5.342  4.477  10.833  1.00 62.61 37 A 1 
ATOM 276 N N   . CYS A 1 38 ? -1.037  2.758  8.201   1.00 81.51 38 A 1 
ATOM 277 C CA  . CYS A 1 38 ? 0.147   1.907  8.228   1.00 81.31 38 A 1 
ATOM 278 C C   . CYS A 1 38 ? 1.302   2.473  7.401   1.00 82.21 38 A 1 
ATOM 279 O O   . CYS A 1 38 ? 2.429   1.994  7.502   1.00 79.91 38 A 1 
ATOM 280 C CB  . CYS A 1 38 ? -0.216  0.493  7.756   1.00 78.83 38 A 1 
ATOM 281 S SG  . CYS A 1 38 ? -0.719  0.431  6.016   1.00 77.25 38 A 1 
ATOM 282 N N   . ARG A 1 39 ? 1.015   3.503  6.603   1.00 81.55 39 A 1 
ATOM 283 C CA  . ARG A 1 39 ? 1.989   4.188  5.738   1.00 82.45 39 A 1 
ATOM 284 C C   . ARG A 1 39 ? 2.628   3.283  4.676   1.00 84.50 39 A 1 
ATOM 285 O O   . ARG A 1 39 ? 3.629   3.648  4.066   1.00 82.75 39 A 1 
ATOM 286 C CB  . ARG A 1 39 ? 3.068   4.893  6.576   1.00 80.02 39 A 1 
ATOM 287 C CG  . ARG A 1 39 ? 2.489   5.934  7.543   1.00 74.69 39 A 1 
ATOM 288 C CD  . ARG A 1 39 ? 3.591   6.708  8.254   1.00 68.35 39 A 1 
ATOM 289 N NE  . ARG A 1 39 ? 4.386   5.853  9.136   1.00 63.64 39 A 1 
ATOM 290 C CZ  . ARG A 1 39 ? 5.481   6.237  9.786   1.00 55.47 39 A 1 
ATOM 291 N NH1 . ARG A 1 39 ? 5.935   7.465  9.662   1.00 52.41 39 A 1 
ATOM 292 N NH2 . ARG A 1 39 ? 6.123   5.385  10.562  1.00 49.03 39 A 1 
ATOM 293 N N   . HIS A 1 40 ? 2.047   2.124  4.446   1.00 86.25 40 A 1 
ATOM 294 C CA  . HIS A 1 40 ? 2.523   1.217  3.410   1.00 87.67 40 A 1 
ATOM 295 C C   . HIS A 1 40 ? 1.975   1.627  2.042   1.00 88.10 40 A 1 
ATOM 296 O O   . HIS A 1 40 ? 0.920   2.254  1.944   1.00 87.28 40 A 1 
ATOM 297 C CB  . HIS A 1 40 ? 2.126   -0.222 3.734   1.00 87.70 40 A 1 
ATOM 298 C CG  . HIS A 1 40 ? 2.974   -0.842 4.810   1.00 87.14 40 A 1 
ATOM 299 N ND1 . HIS A 1 40 ? 2.638   -0.868 6.134   1.00 80.33 40 A 1 
ATOM 300 C CD2 . HIS A 1 40 ? 4.171   -1.460 4.709   1.00 80.38 40 A 1 
ATOM 301 C CE1 . HIS A 1 40 ? 3.601   -1.479 6.811   1.00 81.63 40 A 1 
ATOM 302 N NE2 . HIS A 1 40 ? 4.553   -1.855 5.977   1.00 82.87 40 A 1 
ATOM 303 N N   . VAL A 1 41 ? 2.704   1.270  0.996   1.00 88.08 41 A 1 
ATOM 304 C CA  . VAL A 1 41 ? 2.319   1.609  -0.369  1.00 89.02 41 A 1 
ATOM 305 C C   . VAL A 1 41 ? 1.652   0.410  -1.035  1.00 89.70 41 A 1 
ATOM 306 O O   . VAL A 1 41 ? 2.142   -0.715 -0.943  1.00 89.27 41 A 1 
ATOM 307 C CB  . VAL A 1 41 ? 3.536   2.084  -1.193  1.00 88.26 41 A 1 
ATOM 308 C CG1 . VAL A 1 41 ? 3.143   2.421  -2.631  1.00 84.13 41 A 1 
ATOM 309 C CG2 . VAL A 1 41 ? 4.172   3.308  -0.542  1.00 84.98 41 A 1 
ATOM 310 N N   . TYR A 1 42 ? 0.541   0.671  -1.695  1.00 90.12 42 A 1 
ATOM 311 C CA  . TYR A 1 42 ? -0.246  -0.349 -2.370  1.00 91.03 42 A 1 
ATOM 312 C C   . TYR A 1 42 ? -0.559  0.092  -3.794  1.00 91.39 42 A 1 
ATOM 313 O O   . TYR A 1 42 ? -0.537  1.286  -4.104  1.00 90.75 42 A 1 
ATOM 314 C CB  . TYR A 1 42 ? -1.557  -0.587 -1.616  1.00 90.89 42 A 1 
ATOM 315 C CG  . TYR A 1 42 ? -1.374  -1.109 -0.212  1.00 91.16 42 A 1 
ATOM 316 C CD1 . TYR A 1 42 ? -1.306  -2.479 0.038   1.00 88.58 42 A 1 
ATOM 317 C CD2 . TYR A 1 42 ? -1.275  -0.223 0.864   1.00 88.62 42 A 1 
ATOM 318 C CE1 . TYR A 1 42 ? -1.139  -2.961 1.329   1.00 87.24 42 A 1 
ATOM 319 C CE2 . TYR A 1 42 ? -1.102  -0.699 2.161   1.00 87.45 42 A 1 
ATOM 320 C CZ  . TYR A 1 42 ? -1.036  -2.067 2.386   1.00 88.44 42 A 1 
ATOM 321 O OH  . TYR A 1 42 ? -0.868  -2.540 3.662   1.00 86.87 42 A 1 
ATOM 322 N N   . GLU A 1 43 ? -0.853  -0.865 -4.651  1.00 90.18 43 A 1 
ATOM 323 C CA  . GLU A 1 43 ? -1.325  -0.547 -5.989  1.00 90.25 43 A 1 
ATOM 324 C C   . GLU A 1 43 ? -2.783  -0.089 -5.893  1.00 89.86 43 A 1 
ATOM 325 O O   . GLU A 1 43 ? -3.606  -0.749 -5.258  1.00 89.02 43 A 1 
ATOM 326 C CB  . GLU A 1 43 ? -1.179  -1.767 -6.904  1.00 89.78 43 A 1 
ATOM 327 C CG  . GLU A 1 43 ? -1.544  -1.484 -8.356  1.00 86.85 43 A 1 
ATOM 328 C CD  . GLU A 1 43 ? -1.093  -2.603 -9.288  1.00 83.81 43 A 1 
ATOM 329 O OE1 . GLU A 1 43 ? -1.660  -3.708 -9.215  1.00 78.22 43 A 1 
ATOM 330 O OE2 . GLU A 1 43 ? -0.162  -2.373 -10.079 1.00 78.23 43 A 1 
ATOM 331 N N   . LYS A 1 44 ? -3.086  1.048  -6.514  1.00 89.91 44 A 1 
ATOM 332 C CA  . LYS A 1 44 ? -4.406  1.679  -6.419  1.00 89.41 44 A 1 
ATOM 333 C C   . LYS A 1 44 ? -5.539  0.716  -6.768  1.00 88.61 44 A 1 
ATOM 334 O O   . LYS A 1 44 ? -6.510  0.598  -6.026  1.00 87.99 44 A 1 
ATOM 335 C CB  . LYS A 1 44 ? -4.440  2.913  -7.330  1.00 88.52 44 A 1 
ATOM 336 C CG  . LYS A 1 44 ? -5.699  3.760  -7.194  1.00 86.50 44 A 1 
ATOM 337 C CD  . LYS A 1 44 ? -5.595  4.993  -8.088  1.00 83.77 44 A 1 
ATOM 338 C CE  . LYS A 1 44 ? -6.821  5.884  -7.975  1.00 77.65 44 A 1 
ATOM 339 N NZ  . LYS A 1 44 ? -6.699  7.069  -8.864  1.00 70.71 44 A 1 
ATOM 340 N N   . SER A 1 45 ? -5.394  0.012  -7.886  1.00 91.13 45 A 1 
ATOM 341 C CA  . SER A 1 45 ? -6.420  -0.929 -8.333  1.00 90.60 45 A 1 
ATOM 342 C C   . SER A 1 45 ? -6.619  -2.072 -7.337  1.00 90.31 45 A 1 
ATOM 343 O O   . SER A 1 45 ? -7.748  -2.487 -7.067  1.00 88.60 45 A 1 
ATOM 344 C CB  . SER A 1 45 ? -6.042  -1.496 -9.704  1.00 89.73 45 A 1 
ATOM 345 O OG  . SER A 1 45 ? -5.810  -0.451 -10.634 1.00 80.21 45 A 1 
ATOM 346 N N   . VAL A 1 46 ? -5.517  -2.565 -6.773  1.00 91.03 46 A 1 
ATOM 347 C CA  . VAL A 1 46 ? -5.552  -3.691 -5.839  1.00 90.33 46 A 1 
ATOM 348 C C   . VAL A 1 46 ? -6.116  -3.266 -4.484  1.00 90.03 46 A 1 
ATOM 349 O O   . VAL A 1 46 ? -6.969  -3.957 -3.924  1.00 88.72 46 A 1 
ATOM 350 C CB  . VAL A 1 46 ? -4.150  -4.314 -5.672  1.00 89.73 46 A 1 
ATOM 351 C CG1 . VAL A 1 46 ? -4.178  -5.489 -4.698  1.00 84.85 46 A 1 
ATOM 352 C CG2 . VAL A 1 46 ? -3.612  -4.788 -7.017  1.00 85.14 46 A 1 
ATOM 353 N N   . ILE A 1 47 ? -5.661  -2.131 -3.961  1.00 88.96 47 A 1 
ATOM 354 C CA  . ILE A 1 47 ? -6.116  -1.667 -2.652  1.00 88.42 47 A 1 
ATOM 355 C C   . ILE A 1 47 ? -7.593  -1.273 -2.689  1.00 88.66 47 A 1 
ATOM 356 O O   . ILE A 1 47 ? -8.327  -1.543 -1.743  1.00 88.05 47 A 1 
ATOM 357 C CB  . ILE A 1 47 ? -5.229  -0.512 -2.115  1.00 87.25 47 A 1 
ATOM 358 C CG1 . ILE A 1 47 ? -5.527  -0.212 -0.631  1.00 83.66 47 A 1 
ATOM 359 C CG2 . ILE A 1 47 ? -5.386  0.769  -2.941  1.00 81.88 47 A 1 
ATOM 360 C CD1 . ILE A 1 47 ? -5.238  -1.373 0.296   1.00 78.56 47 A 1 
ATOM 361 N N   . LEU A 1 48 ? -8.043  -0.683 -3.792  1.00 87.40 48 A 1 
ATOM 362 C CA  . LEU A 1 48 ? -9.451  -0.337 -3.949  1.00 87.46 48 A 1 
ATOM 363 C C   . LEU A 1 48 ? -10.313 -1.597 -3.960  1.00 88.40 48 A 1 
ATOM 364 O O   . LEU A 1 48 ? -11.333 -1.662 -3.280  1.00 88.34 48 A 1 
ATOM 365 C CB  . LEU A 1 48 ? -9.669  0.470  -5.236  1.00 86.45 48 A 1 
ATOM 366 C CG  . LEU A 1 48 ? -9.170  1.922  -5.185  1.00 81.69 48 A 1 
ATOM 367 C CD1 . LEU A 1 48 ? -9.305  2.572  -6.556  1.00 78.95 48 A 1 
ATOM 368 C CD2 . LEU A 1 48 ? -9.937  2.734  -4.149  1.00 79.24 48 A 1 
ATOM 369 N N   . HIS A 1 49 ? -9.881  -2.610 -4.705  1.00 88.82 49 A 1 
ATOM 370 C CA  . HIS A 1 49 ? -10.581 -3.891 -4.741  1.00 89.20 49 A 1 
ATOM 371 C C   . HIS A 1 49 ? -10.605 -4.538 -3.354  1.00 89.40 49 A 1 
ATOM 372 O O   . HIS A 1 49 ? -11.625 -5.081 -2.932  1.00 88.95 49 A 1 
ATOM 373 C CB  . HIS A 1 49 ? -9.914  -4.823 -5.759  1.00 89.23 49 A 1 
ATOM 374 C CG  . HIS A 1 49 ? -10.602 -6.153 -5.888  1.00 85.87 49 A 1 
ATOM 375 N ND1 . HIS A 1 49 ? -11.714 -6.368 -6.667  1.00 75.71 49 A 1 
ATOM 376 C CD2 . HIS A 1 49 ? -10.316 -7.343 -5.299  1.00 75.95 49 A 1 
ATOM 377 C CE1 . HIS A 1 49 ? -12.075 -7.644 -6.551  1.00 76.45 49 A 1 
ATOM 378 N NE2 . HIS A 1 49 ? -11.252 -8.263 -5.731  1.00 78.85 49 A 1 
ATOM 379 N N   . TYR A 1 50 ? -9.482  -4.452 -2.640  1.00 87.73 50 A 1 
ATOM 380 C CA  . TYR A 1 50 ? -9.362  -5.013 -1.298  1.00 87.88 50 A 1 
ATOM 381 C C   . TYR A 1 50 ? -10.307 -4.321 -0.311  1.00 88.03 50 A 1 
ATOM 382 O O   . TYR A 1 50 ? -10.970 -4.985 0.486   1.00 87.31 50 A 1 
ATOM 383 C CB  . TYR A 1 50 ? -7.908  -4.899 -0.828  1.00 87.70 50 A 1 
ATOM 384 C CG  . TYR A 1 50 ? -7.627  -5.630 0.467   1.00 87.65 50 A 1 
ATOM 385 C CD1 . TYR A 1 50 ? -7.673  -7.022 0.525   1.00 85.46 50 A 1 
ATOM 386 C CD2 . TYR A 1 50 ? -7.308  -4.922 1.627   1.00 85.91 50 A 1 
ATOM 387 C CE1 . TYR A 1 50 ? -7.410  -7.692 1.714   1.00 84.70 50 A 1 
ATOM 388 C CE2 . TYR A 1 50 ? -7.044  -5.586 2.820   1.00 84.76 50 A 1 
ATOM 389 C CZ  . TYR A 1 50 ? -7.097  -6.970 2.858   1.00 85.14 50 A 1 
ATOM 390 O OH  . TYR A 1 50 ? -6.839  -7.627 4.034   1.00 83.80 50 A 1 
ATOM 391 N N   . ILE A 1 51 ? -10.384 -2.991 -0.378  1.00 86.42 51 A 1 
ATOM 392 C CA  . ILE A 1 51 ? -11.263 -2.213 0.496   1.00 85.76 51 A 1 
ATOM 393 C C   . ILE A 1 51 ? -12.736 -2.468 0.165   1.00 87.02 51 A 1 
ATOM 394 O O   . ILE A 1 51 ? -13.570 -2.575 1.063   1.00 86.44 51 A 1 
ATOM 395 C CB  . ILE A 1 51 ? -10.929 -0.704 0.405   1.00 83.80 51 A 1 
ATOM 396 C CG1 . ILE A 1 51 ? -9.534  -0.429 0.988   1.00 77.06 51 A 1 
ATOM 397 C CG2 . ILE A 1 51 ? -11.974 0.142  1.137   1.00 75.30 51 A 1 
ATOM 398 C CD1 . ILE A 1 51 ? -9.005  0.967  0.694   1.00 73.76 51 A 1 
ATOM 399 N N   . VAL A 1 52 ? -13.049 -2.591 -1.116  1.00 86.81 52 A 1 
ATOM 400 C CA  . VAL A 1 52 ? -14.422 -2.889 -1.539  1.00 87.03 52 A 1 
ATOM 401 C C   . VAL A 1 52 ? -14.850 -4.273 -1.050  1.00 87.65 52 A 1 
ATOM 402 O O   . VAL A 1 52 ? -15.979 -4.460 -0.587  1.00 87.31 52 A 1 
ATOM 403 C CB  . VAL A 1 52 ? -14.560 -2.781 -3.075  1.00 86.75 52 A 1 
ATOM 404 C CG1 . VAL A 1 52 ? -15.906 -3.323 -3.563  1.00 80.47 52 A 1 
ATOM 405 C CG2 . VAL A 1 52 ? -14.426 -1.328 -3.518  1.00 80.83 52 A 1 
ATOM 406 N N   . ASN A 1 53 ? -13.932 -5.235 -1.132  1.00 89.76 53 A 1 
ATOM 407 C CA  . ASN A 1 53 ? -14.205 -6.597 -0.683  1.00 89.10 53 A 1 
ATOM 408 C C   . ASN A 1 53 ? -14.219 -6.699 0.842   1.00 88.15 53 A 1 
ATOM 409 O O   . ASN A 1 53 ? -14.984 -7.479 1.414   1.00 85.70 53 A 1 
ATOM 410 C CB  . ASN A 1 53 ? -13.159 -7.554 -1.271  1.00 88.49 53 A 1 
ATOM 411 C CG  . ASN A 1 53 ? -13.527 -9.009 -1.060  1.00 84.38 53 A 1 
ATOM 412 O OD1 . ASN A 1 53 ? -13.048 -9.670 -0.143  1.00 75.90 53 A 1 
ATOM 413 N ND2 . ASN A 1 53 ? -14.386 -9.536 -1.909  1.00 74.72 53 A 1 
ATOM 414 N N   . ASN A 1 54 ? -13.392 -5.893 1.499   1.00 87.88 54 A 1 
ATOM 415 C CA  . ASN A 1 54 ? -13.270 -5.893 2.951   1.00 85.14 54 A 1 
ATOM 416 C C   . ASN A 1 54 ? -13.427 -4.468 3.497   1.00 84.03 54 A 1 
ATOM 417 O O   . ASN A 1 54 ? -12.464 -3.704 3.491   1.00 80.82 54 A 1 
ATOM 418 C CB  . ASN A 1 54 ? -11.910 -6.468 3.367   1.00 83.37 54 A 1 
ATOM 419 C CG  . ASN A 1 54 ? -11.688 -7.877 2.858   1.00 77.65 54 A 1 
ATOM 420 O OD1 . ASN A 1 54 ? -12.093 -8.854 3.478   1.00 70.65 54 A 1 
ATOM 421 N ND2 . ASN A 1 54 ? -11.028 -8.003 1.722   1.00 70.59 54 A 1 
ATOM 422 N N   . PRO A 1 55 ? -14.621 -4.106 3.996   1.00 83.25 55 A 1 
ATOM 423 C CA  . PRO A 1 55 ? -14.867 -2.765 4.549   1.00 80.04 55 A 1 
ATOM 424 C C   . PRO A 1 55 ? -13.897 -2.394 5.673   1.00 79.25 55 A 1 
ATOM 425 O O   . PRO A 1 55 ? -13.557 -1.224 5.853   1.00 74.38 55 A 1 
ATOM 426 C CB  . PRO A 1 55 ? -16.306 -2.842 5.070   1.00 79.32 55 A 1 
ATOM 427 C CG  . PRO A 1 55 ? -16.937 -3.940 4.265   1.00 77.97 55 A 1 
ATOM 428 C CD  . PRO A 1 55 ? -15.831 -4.930 4.008   1.00 80.69 55 A 1 
ATOM 429 N N   . ASN A 1 56 ? -13.448 -3.403 6.416   1.00 81.45 56 A 1 
ATOM 430 C CA  . ASN A 1 56 ? -12.465 -3.217 7.478   1.00 79.93 56 A 1 
ATOM 431 C C   . ASN A 1 56 ? -11.103 -3.762 7.038   1.00 80.59 56 A 1 
ATOM 432 O O   . ASN A 1 56 ? -10.467 -4.543 7.751   1.00 76.59 56 A 1 
ATOM 433 C CB  . ASN A 1 56 ? -12.945 -3.896 8.766   1.00 76.60 56 A 1 
ATOM 434 C CG  . ASN A 1 56 ? -14.231 -3.291 9.291   1.00 69.57 56 A 1 
ATOM 435 O OD1 . ASN A 1 56 ? -15.302 -3.879 9.190   1.00 63.07 56 A 1 
ATOM 436 N ND2 . ASN A 1 56 ? -14.146 -2.107 9.867   1.00 63.70 56 A 1 
ATOM 437 N N   . ALA A 1 57 ? -10.674 -3.354 5.855   1.00 80.13 57 A 1 
ATOM 438 C CA  . ALA A 1 57 ? -9.420  -3.805 5.268   1.00 79.63 57 A 1 
ATOM 439 C C   . ALA A 1 57 ? -8.247  -3.583 6.222   1.00 81.35 57 A 1 
ATOM 440 O O   . ALA A 1 57 ? -8.035  -2.477 6.721   1.00 77.71 57 A 1 
ATOM 441 C CB  . ALA A 1 57 ? -9.178  -3.083 3.943   1.00 76.62 57 A 1 
ATOM 442 N N   . ASN A 1 58 ? -7.492  -4.644 6.471   1.00 81.26 58 A 1 
ATOM 443 C CA  . ASN A 1 58 ? -6.371  -4.618 7.397   1.00 82.74 58 A 1 
ATOM 444 C C   . ASN A 1 58 ? -5.062  -4.880 6.654   1.00 84.50 58 A 1 
ATOM 445 O O   . ASN A 1 58 ? -5.004  -5.731 5.764   1.00 81.01 58 A 1 
ATOM 446 C CB  . ASN A 1 58 ? -6.598  -5.655 8.498   1.00 78.31 58 A 1 
ATOM 447 C CG  . ASN A 1 58 ? -5.562  -5.578 9.600   1.00 70.49 58 A 1 
ATOM 448 O OD1 . ASN A 1 58 ? -4.474  -6.122 9.474   1.00 61.97 58 A 1 
ATOM 449 N ND2 . ASN A 1 58 ? -5.890  -4.923 10.693  1.00 63.43 58 A 1 
ATOM 450 N N   . CYS A 1 59 ? -4.023  -4.149 7.018   1.00 82.63 59 A 1 
ATOM 451 C CA  . CYS A 1 59 ? -2.703  -4.330 6.432   1.00 83.12 59 A 1 
ATOM 452 C C   . CYS A 1 59 ? -2.078  -5.629 6.948   1.00 83.53 59 A 1 
ATOM 453 O O   . CYS A 1 59 ? -1.891  -5.778 8.154   1.00 81.21 59 A 1 
ATOM 454 C CB  . CYS A 1 59 ? -1.814  -3.134 6.777   1.00 81.91 59 A 1 
ATOM 455 S SG  . CYS A 1 59 ? -0.129  -3.316 6.138   1.00 79.25 59 A 1 
ATOM 456 N N   . PRO A 1 60 ? -1.726  -6.564 6.053   1.00 84.52 60 A 1 
ATOM 457 C CA  . PRO A 1 60 ? -1.149  -7.854 6.451   1.00 83.55 60 A 1 
ATOM 458 C C   . PRO A 1 60 ? 0.240   -7.726 7.069   1.00 84.42 60 A 1 
ATOM 459 O O   . PRO A 1 60 ? 0.727   -8.661 7.704   1.00 80.24 60 A 1 
ATOM 460 C CB  . PRO A 1 60 ? -1.099  -8.651 5.142   1.00 81.30 60 A 1 
ATOM 461 C CG  . PRO A 1 60 ? -1.034  -7.607 4.069   1.00 79.66 60 A 1 
ATOM 462 C CD  . PRO A 1 60 ? -1.844  -6.448 4.598   1.00 82.27 60 A 1 
ATOM 463 N N   . VAL A 1 61 ? 0.886   -6.572 6.885   1.00 83.36 61 A 1 
ATOM 464 C CA  . VAL A 1 61 ? 2.241   -6.347 7.391   1.00 82.61 61 A 1 
ATOM 465 C C   . VAL A 1 61 ? 2.234   -5.608 8.731   1.00 81.98 61 A 1 
ATOM 466 O O   . VAL A 1 61 ? 2.946   -5.986 9.661   1.00 76.86 61 A 1 
ATOM 467 C CB  . VAL A 1 61 ? 3.090   -5.568 6.365   1.00 80.78 61 A 1 
ATOM 468 C CG1 . VAL A 1 61 ? 4.518   -5.374 6.871   1.00 74.66 61 A 1 
ATOM 469 C CG2 . VAL A 1 61 ? 3.116   -6.283 5.021   1.00 76.70 61 A 1 
ATOM 470 N N   . ALA A 1 62 ? 1.436   -4.552 8.820   1.00 80.80 62 A 1 
ATOM 471 C CA  . ALA A 1 62 ? 1.434   -3.686 9.998   1.00 78.53 62 A 1 
ATOM 472 C C   . ALA A 1 62 ? 0.249   -3.929 10.940  1.00 78.56 62 A 1 
ATOM 473 O O   . ALA A 1 62 ? 0.194   -3.353 12.022  1.00 72.53 62 A 1 
ATOM 474 C CB  . ALA A 1 62 ? 1.470   -2.222 9.560   1.00 74.90 62 A 1 
ATOM 475 N N   . ASP A 1 63 ? -0.685  -4.775 10.523  1.00 78.37 63 A 1 
ATOM 476 C CA  . ASP A 1 63 ? -1.913  -5.051 11.281  1.00 78.55 63 A 1 
ATOM 477 C C   . ASP A 1 63 ? -2.667  -3.760 11.630  1.00 80.15 63 A 1 
ATOM 478 O O   . ASP A 1 63 ? -3.143  -3.558 12.750  1.00 75.46 63 A 1 
ATOM 479 C CB  . ASP A 1 63 ? -1.612  -5.904 12.523  1.00 74.22 63 A 1 
ATOM 480 C CG  . ASP A 1 63 ? -2.868  -6.519 13.135  1.00 67.08 63 A 1 
ATOM 481 O OD1 . ASP A 1 63 ? -3.903  -6.616 12.445  1.00 61.87 63 A 1 
ATOM 482 O OD2 . ASP A 1 63 ? -2.803  -6.925 14.310  1.00 61.46 63 A 1 
ATOM 483 N N   . LYS A 1 64 ? -2.740  -2.870 10.644  1.00 79.14 64 A 1 
ATOM 484 C CA  . LYS A 1 64 ? -3.443  -1.597 10.769  1.00 79.33 64 A 1 
ATOM 485 C C   . LYS A 1 64 ? -4.485  -1.476 9.663   1.00 80.41 64 A 1 
ATOM 486 O O   . LYS A 1 64 ? -4.364  -2.107 8.616   1.00 78.53 64 A 1 
ATOM 487 C CB  . LYS A 1 64 ? -2.459  -0.427 10.685  1.00 75.37 64 A 1 
ATOM 488 C CG  . LYS A 1 64 ? -1.453  -0.359 11.832  1.00 73.59 64 A 1 
ATOM 489 C CD  . LYS A 1 64 ? -2.133  -0.039 13.156  1.00 70.03 64 A 1 
ATOM 490 C CE  . LYS A 1 64 ? -1.114  0.101  14.272  1.00 65.50 64 A 1 
ATOM 491 N NZ  . LYS A 1 64 ? -1.758  0.443  15.563  1.00 57.81 64 A 1 
ATOM 492 N N   . ILE A 1 65 ? -5.494  -0.651 9.898   1.00 79.29 65 A 1 
ATOM 493 C CA  . ILE A 1 65 ? -6.508  -0.401 8.884   1.00 79.31 65 A 1 
ATOM 494 C C   . ILE A 1 65 ? -5.859  0.308  7.698   1.00 79.60 65 A 1 
ATOM 495 O O   . ILE A 1 65 ? -5.099  1.264  7.872   1.00 76.51 65 A 1 
ATOM 496 C CB  . ILE A 1 65 ? -7.673  0.436  9.457   1.00 76.36 65 A 1 
ATOM 497 C CG1 . ILE A 1 65 ? -8.329  -0.304 10.636  1.00 69.56 65 A 1 
ATOM 498 C CG2 . ILE A 1 65 ? -8.705  0.748  8.374   1.00 67.71 65 A 1 
ATOM 499 C CD1 . ILE A 1 65 ? -9.396  0.502  11.364  1.00 63.36 65 A 1 
ATOM 500 N N   . VAL A 1 66 ? -6.142  -0.170 6.494   1.00 79.11 66 A 1 
ATOM 501 C CA  . VAL A 1 66 ? -5.602  0.462  5.296   1.00 78.76 66 A 1 
ATOM 502 C C   . VAL A 1 66 ? -6.631  1.396  4.675   1.00 78.41 66 A 1 
ATOM 503 O O   . VAL A 1 66 ? -7.678  0.975  4.187   1.00 76.91 66 A 1 
ATOM 504 C CB  . VAL A 1 66 ? -5.103  -0.567 4.255   1.00 76.62 66 A 1 
ATOM 505 C CG1 . VAL A 1 66 ? -3.797  -1.189 4.721   1.00 71.58 66 A 1 
ATOM 506 C CG2 . VAL A 1 66 ? -6.119  -1.665 3.984   1.00 75.04 66 A 1 
ATOM 507 N N   . LEU A 1 67 ? -6.302  2.672  4.706   1.00 76.43 67 A 1 
ATOM 508 C CA  . LEU A 1 67 ? -7.093  3.698  4.049   1.00 75.02 67 A 1 
ATOM 509 C C   . LEU A 1 67 ? -6.234  4.312  2.952   1.00 75.05 67 A 1 
ATOM 510 O O   . LEU A 1 67 ? -5.216  4.948  3.231   1.00 71.68 67 A 1 
ATOM 511 C CB  . LEU A 1 67 ? -7.549  4.756  5.057   1.00 70.19 67 A 1 
ATOM 512 C CG  . LEU A 1 67 ? -8.513  4.250  6.136   1.00 64.07 67 A 1 
ATOM 513 C CD1 . LEU A 1 67 ? -8.777  5.337  7.166   1.00 61.24 67 A 1 
ATOM 514 C CD2 . LEU A 1 67 ? -9.834  3.787  5.529   1.00 61.48 67 A 1 
ATOM 515 N N   . ALA A 1 68 ? -6.623  4.082  1.710   1.00 71.98 68 A 1 
ATOM 516 C CA  . ALA A 1 68 ? -5.866  4.584  0.574   1.00 70.90 68 A 1 
ATOM 517 C C   . ALA A 1 68 ? -6.006  6.102  0.461   1.00 70.96 68 A 1 
ATOM 518 O O   . ALA A 1 68 ? -7.008  6.616  -0.034  1.00 67.35 68 A 1 
ATOM 519 C CB  . ALA A 1 68 ? -6.326  3.891  -0.704  1.00 66.12 68 A 1 
ATOM 520 N N   . GLN A 1 69 ? -4.993  6.810  0.947   1.00 67.63 69 A 1 
ATOM 521 C CA  . GLN A 1 69 ? -4.916  8.255  0.815   1.00 66.67 69 A 1 
ATOM 522 C C   . GLN A 1 69 ? -3.480  8.657  0.490   1.00 66.94 69 A 1 
ATOM 523 O O   . GLN A 1 69 ? -2.533  7.981  0.893   1.00 62.37 69 A 1 
ATOM 524 C CB  . GLN A 1 69 ? -5.397  8.968  2.085   1.00 61.30 69 A 1 
ATOM 525 C CG  . GLN A 1 69 ? -6.888  8.778  2.342   1.00 54.06 69 A 1 
ATOM 526 C CD  . GLN A 1 69 ? -7.488  9.868  3.209   1.00 49.98 69 A 1 
ATOM 527 O OE1 . GLN A 1 69 ? -6.838  10.844 3.563   1.00 50.31 69 A 1 
ATOM 528 N NE2 . GLN A 1 69 ? -8.754  9.740  3.550   1.00 45.45 69 A 1 
ATOM 529 N N   . LYS A 1 70 ? -3.338  9.766  -0.225  1.00 62.89 70 A 1 
ATOM 530 C CA  . LYS A 1 70 ? -2.078  10.281 -0.761  1.00 61.73 70 A 1 
ATOM 531 C C   . LYS A 1 70 ? -1.570  9.432  -1.929  1.00 60.52 70 A 1 
ATOM 532 O O   . LYS A 1 70 ? -1.454  8.214  -1.843  1.00 57.20 70 A 1 
ATOM 533 C CB  . LYS A 1 70 ? -0.991  10.418 0.323   1.00 58.89 70 A 1 
ATOM 534 C CG  . LYS A 1 70 ? -1.397  11.303 1.504   1.00 54.51 70 A 1 
ATOM 535 C CD  . LYS A 1 70 ? -1.610  12.746 1.082   1.00 52.20 70 A 1 
ATOM 536 C CE  . LYS A 1 70 ? -1.953  13.619 2.282   1.00 48.84 70 A 1 
ATOM 537 N NZ  . LYS A 1 70 ? -2.118  15.046 1.908   1.00 43.42 70 A 1 
ATOM 538 N N   . HIS A 1 71 ? -1.268  10.120 -3.005  1.00 58.51 71 A 1 
ATOM 539 C CA  . HIS A 1 71 ? -0.687  9.493  -4.186  1.00 58.27 71 A 1 
ATOM 540 C C   . HIS A 1 71 ? 0.833   9.593  -4.088  1.00 57.26 71 A 1 
ATOM 541 O O   . HIS A 1 71 ? 1.363   10.567 -3.554  1.00 54.21 71 A 1 
ATOM 542 C CB  . HIS A 1 71 ? -1.201  10.194 -5.454  1.00 55.93 71 A 1 
ATOM 543 C CG  . HIS A 1 71 ? -0.903  9.451  -6.724  1.00 51.02 71 A 1 
ATOM 544 N ND1 . HIS A 1 71 ? 0.101   9.788  -7.589  1.00 46.28 71 A 1 
ATOM 545 C CD2 . HIS A 1 71 ? -1.527  8.376  -7.260  1.00 46.66 71 A 1 
ATOM 546 C CE1 . HIS A 1 71 ? 0.086   8.943  -8.618  1.00 44.70 71 A 1 
ATOM 547 N NE2 . HIS A 1 71 ? -0.897  8.070  -8.448  1.00 44.90 71 A 1 
ATOM 548 N N   . LEU A 1 72 ? 1.510   8.566  -4.568  1.00 62.18 72 A 1 
ATOM 549 C CA  . LEU A 1 72 ? 2.970   8.543  -4.556  1.00 62.07 72 A 1 
ATOM 550 C C   . LEU A 1 72 ? 3.526   9.204  -5.816  1.00 57.45 72 A 1 
ATOM 551 O O   . LEU A 1 72 ? 2.923   9.042  -6.896  1.00 51.75 72 A 1 
ATOM 552 C CB  . LEU A 1 72 ? 3.478   7.096  -4.416  1.00 57.25 72 A 1 
ATOM 553 C CG  . LEU A 1 72 ? 4.916   6.981  -3.888  1.00 52.23 72 A 1 
ATOM 554 C CD1 . LEU A 1 72 ? 4.940   7.164  -2.376  1.00 51.43 72 A 1 
ATOM 555 C CD2 . LEU A 1 72 ? 5.526   5.635  -4.241  1.00 52.66 72 A 1 
ATOM 556 O OXT . LEU A 1 72 ? 4.569   9.872  -5.708  1.00 51.35 72 A 1 
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