# 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-3c
#
_entry.id sp-ring-3c
#
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 GLY 61 
1 n ALA 62 
1 n GLU 63 
1 n VAL 64 
1 n ASN 65 
1 n CYS 66 
1 n ARG 67 
1 n ILE 68 
1 n ALA 69 
1 n LYS 70 
#
_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 12:22:04)"
_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 73.83
_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 60.60 1 1  
A ASP 2  2 58.60 1 2  
A GLU 3  2 53.73 1 3  
A ASP 4  2 55.23 1 4  
A ILE 5  2 50.26 1 5  
A VAL 6  2 49.46 1 6  
A MET 7  2 43.98 1 7  
A THR 8  2 45.78 1 8  
A SER 9  2 45.50 1 9  
A THR 10 2 46.80 1 10 
A GLN 11 2 46.67 1 11 
A CYS 12 2 55.08 1 12 
A PRO 13 2 56.48 1 13 
A LEU 14 2 61.10 1 14 
A LEU 15 2 68.54 1 15 
A ASN 16 2 76.13 1 16 
A MET 17 2 77.43 1 17 
A THR 18 2 84.86 1 18 
A CYS 19 2 87.06 1 19 
A PRO 20 2 85.04 1 20 
A LEU 21 2 84.96 1 21 
A SER 22 2 88.72 1 22 
A GLY 23 2 91.00 1 23 
A LYS 24 2 87.33 1 24 
A PRO 25 2 89.53 1 25 
A VAL 26 2 84.27 1 26 
A THR 27 2 82.39 1 27 
A GLU 28 2 82.55 1 28 
A LEU 29 2 88.28 1 29 
A ALA 30 2 87.52 1 30 
A ASP 31 2 84.81 1 31 
A PRO 32 2 87.83 1 32 
A VAL 33 2 85.88 1 33 
A ARG 34 2 72.10 1 34 
A SER 35 2 78.11 1 35 
A MET 36 2 70.66 1 36 
A ASP 37 2 70.30 1 37 
A CYS 38 2 76.85 1 38 
A ARG 39 2 68.68 1 39 
A HIS 40 2 80.32 1 40 
A VAL 41 2 85.45 1 41 
A TYR 42 2 86.24 1 42 
A GLU 43 2 87.08 1 43 
A LYS 44 2 86.31 1 44 
A SER 45 2 90.04 1 45 
A VAL 46 2 88.46 1 46 
A ILE 47 2 84.54 1 47 
A LEU 48 2 84.89 1 48 
A HIS 49 2 85.20 1 49 
A TYR 50 2 85.27 1 50 
A ILE 51 2 81.45 1 51 
A VAL 52 2 87.46 1 52 
A ASN 53 2 86.13 1 53 
A ASN 54 2 81.69 1 54 
A PRO 55 2 82.88 1 55 
A ASN 56 2 74.94 1 56 
A ALA 57 2 75.20 1 57 
A ASN 58 2 73.36 1 58 
A CYS 59 2 76.83 1 59 
A PRO 60 2 78.82 1 60 
A GLY 61 2 75.00 1 61 
A ALA 62 2 70.69 1 62 
A GLU 63 2 63.89 1 63 
A VAL 64 2 66.10 1 64 
A ASN 65 2 65.73 1 65 
A CYS 66 2 72.12 1 66 
A ARG 67 2 62.73 1 67 
A ILE 68 2 69.28 1 68 
A ALA 69 2 66.25 1 69 
A LYS 70 2 56.04 1 70 
#
_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 GLY . 61 A 61 
A 62 1 n ALA . 62 A 62 
A 63 1 n GLU . 63 A 63 
A 64 1 n VAL . 64 A 64 
A 65 1 n ASN . 65 A 65 
A 66 1 n CYS . 66 A 66 
A 67 1 n ARG . 67 A 67 
A 68 1 n ILE . 68 A 68 
A 69 1 n ALA . 69 A 69 
A 70 1 n LYS . 70 A 70 
#
_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  ? -27.652 16.749  -9.194  1.00 55.42 1  A 1 
ATOM 2   C CA  . ASP A 1 1  ? -27.497 15.310  -8.974  1.00 66.52 1  A 1 
ATOM 3   C C   . ASP A 1 1  ? -26.639 15.038  -7.746  1.00 70.43 1  A 1 
ATOM 4   O O   . ASP A 1 1  ? -25.539 15.564  -7.632  1.00 66.69 1  A 1 
ATOM 5   C CB  . ASP A 1 1  ? -26.844 14.645  -10.188 1.00 62.81 1  A 1 
ATOM 6   C CG  . ASP A 1 1  ? -27.644 14.852  -11.457 1.00 55.12 1  A 1 
ATOM 7   O OD1 . ASP A 1 1  ? -28.653 14.146  -11.650 1.00 52.27 1  A 1 
ATOM 8   O OD2 . ASP A 1 1  ? -27.262 15.735  -12.252 1.00 55.54 1  A 1 
ATOM 9   N N   . ASP A 1 2  ? -27.157 14.246  -6.857  1.00 57.07 2  A 1 
ATOM 10  C CA  . ASP A 1 2  ? -26.400 13.886  -5.668  1.00 64.00 2  A 1 
ATOM 11  C C   . ASP A 1 2  ? -25.529 12.671  -5.953  1.00 65.65 2  A 1 
ATOM 12  O O   . ASP A 1 2  ? -26.016 11.620  -6.363  1.00 64.07 2  A 1 
ATOM 13  C CB  . ASP A 1 2  ? -27.332 13.612  -4.481  1.00 61.95 2  A 1 
ATOM 14  C CG  . ASP A 1 2  ? -28.335 12.506  -4.753  1.00 53.63 2  A 1 
ATOM 15  O OD1 . ASP A 1 2  ? -29.344 12.775  -5.446  1.00 50.33 2  A 1 
ATOM 16  O OD2 . ASP A 1 2  ? -28.137 11.383  -4.254  1.00 52.12 2  A 1 
ATOM 17  N N   . GLU A 1 3  ? -24.250 12.838  -5.752  1.00 54.07 3  A 1 
ATOM 18  C CA  . GLU A 1 3  ? -23.306 11.768  -6.033  1.00 58.97 3  A 1 
ATOM 19  C C   . GLU A 1 3  ? -23.213 10.810  -4.852  1.00 60.72 3  A 1 
ATOM 20  O O   . GLU A 1 3  ? -22.496 11.062  -3.882  1.00 57.68 3  A 1 
ATOM 21  C CB  . GLU A 1 3  ? -21.928 12.349  -6.356  1.00 57.78 3  A 1 
ATOM 22  C CG  . GLU A 1 3  ? -20.902 11.312  -6.787  1.00 51.78 3  A 1 
ATOM 23  C CD  . GLU A 1 3  ? -21.324 10.585  -8.052  1.00 49.37 3  A 1 
ATOM 24  O OE1 . GLU A 1 3  ? -21.568 11.251  -9.068  1.00 44.97 3  A 1 
ATOM 25  O OE2 . GLU A 1 3  ? -21.402 9.342   -8.009  1.00 48.19 3  A 1 
ATOM 26  N N   . ASP A 1 4  ? -23.949 9.732   -4.946  1.00 55.30 4  A 1 
ATOM 27  C CA  . ASP A 1 4  ? -23.921 8.720   -3.902  1.00 60.14 4  A 1 
ATOM 28  C C   . ASP A 1 4  ? -22.807 7.722   -4.174  1.00 59.73 4  A 1 
ATOM 29  O O   . ASP A 1 4  ? -22.825 6.993   -5.161  1.00 59.02 4  A 1 
ATOM 30  C CB  . ASP A 1 4  ? -25.272 8.007   -3.791  1.00 59.04 4  A 1 
ATOM 31  C CG  . ASP A 1 4  ? -25.687 7.314   -5.072  1.00 51.81 4  A 1 
ATOM 32  O OD1 . ASP A 1 4  ? -26.191 8.005   -5.983  1.00 47.04 4  A 1 
ATOM 33  O OD2 . ASP A 1 4  ? -25.542 6.080   -5.158  1.00 49.77 4  A 1 
ATOM 34  N N   . ILE A 1 5  ? -21.835 7.726   -3.303  1.00 50.41 5  A 1 
ATOM 35  C CA  . ILE A 1 5  ? -20.702 6.829   -3.468  1.00 53.08 5  A 1 
ATOM 36  C C   . ILE A 1 5  ? -21.013 5.445   -2.909  1.00 51.26 5  A 1 
ATOM 37  O O   . ILE A 1 5  ? -20.979 5.207   -1.703  1.00 50.34 5  A 1 
ATOM 38  C CB  . ILE A 1 5  ? -19.435 7.387   -2.790  1.00 53.55 5  A 1 
ATOM 39  C CG1 . ILE A 1 5  ? -19.716 7.786   -1.342  1.00 48.87 5  A 1 
ATOM 40  C CG2 . ILE A 1 5  ? -18.905 8.578   -3.576  1.00 48.25 5  A 1 
ATOM 41  C CD1 . ILE A 1 5  ? -18.490 8.250   -0.580  1.00 46.29 5  A 1 
ATOM 42  N N   . VAL A 1 6  ? -21.319 4.539   -3.805  1.00 48.85 6  A 1 
ATOM 43  C CA  . VAL A 1 6  ? -21.589 3.163   -3.421  1.00 52.65 6  A 1 
ATOM 44  C C   . VAL A 1 6  ? -20.710 2.226   -4.233  1.00 52.54 6  A 1 
ATOM 45  O O   . VAL A 1 6  ? -20.945 2.012   -5.421  1.00 51.42 6  A 1 
ATOM 46  C CB  . VAL A 1 6  ? -23.063 2.784   -3.635  1.00 51.89 6  A 1 
ATOM 47  C CG1 . VAL A 1 6  ? -23.305 1.342   -3.212  1.00 43.73 6  A 1 
ATOM 48  C CG2 . VAL A 1 6  ? -23.982 3.721   -2.878  1.00 45.17 6  A 1 
ATOM 49  N N   . MET A 1 7  ? -19.714 1.688   -3.575  1.00 45.33 7  A 1 
ATOM 50  C CA  . MET A 1 7  ? -18.801 0.778   -4.251  1.00 47.46 7  A 1 
ATOM 51  C C   . MET A 1 7  ? -18.405 -0.370  -3.322  1.00 46.74 7  A 1 
ATOM 52  O O   . MET A 1 7  ? -17.309 -0.403  -2.776  1.00 45.09 7  A 1 
ATOM 53  C CB  . MET A 1 7  ? -17.566 1.538   -4.739  1.00 47.17 7  A 1 
ATOM 54  C CG  . MET A 1 7  ? -16.846 2.326   -3.658  1.00 42.78 7  A 1 
ATOM 55  S SD  . MET A 1 7  ? -15.517 3.349   -4.313  1.00 39.62 7  A 1 
ATOM 56  C CE  . MET A 1 7  ? -16.450 4.683   -5.038  1.00 37.61 7  A 1 
ATOM 57  N N   . THR A 1 8  ? -19.319 -1.296  -3.155  1.00 46.44 8  A 1 
ATOM 58  C CA  . THR A 1 8  ? -19.072 -2.455  -2.308  1.00 49.15 8  A 1 
ATOM 59  C C   . THR A 1 8  ? -18.535 -3.620  -3.123  1.00 49.13 8  A 1 
ATOM 60  O O   . THR A 1 8  ? -18.362 -4.727  -2.617  1.00 46.43 8  A 1 
ATOM 61  C CB  . THR A 1 8  ? -20.351 -2.898  -1.586  1.00 47.09 8  A 1 
ATOM 62  O OG1 . THR A 1 8  ? -21.389 -3.126  -2.535  1.00 41.50 8  A 1 
ATOM 63  C CG2 . THR A 1 8  ? -20.803 -1.838  -0.601  1.00 40.70 8  A 1 
ATOM 64  N N   . SER A 1 9  ? -18.299 -3.361  -4.382  1.00 46.00 9  A 1 
ATOM 65  C CA  . SER A 1 9  ? -17.791 -4.380  -5.286  1.00 47.89 9  A 1 
ATOM 66  C C   . SER A 1 9  ? -16.359 -4.750  -4.922  1.00 48.18 9  A 1 
ATOM 67  O O   . SER A 1 9  ? -15.478 -3.892  -4.896  1.00 46.28 9  A 1 
ATOM 68  C CB  . SER A 1 9  ? -17.843 -3.898  -6.732  1.00 45.25 9  A 1 
ATOM 69  O OG  . SER A 1 9  ? -17.382 -4.889  -7.617  1.00 39.38 9  A 1 
ATOM 70  N N   . THR A 1 10 ? -16.151 -6.017  -4.637  1.00 49.24 10 A 1 
ATOM 71  C CA  . THR A 1 10 ? -14.819 -6.493  -4.294  1.00 49.84 10 A 1 
ATOM 72  C C   . THR A 1 10 ? -13.962 -6.595  -5.546  1.00 51.22 10 A 1 
ATOM 73  O O   . THR A 1 10 ? -14.399 -7.094  -6.581  1.00 48.90 10 A 1 
ATOM 74  C CB  . THR A 1 10 ? -14.874 -7.859  -3.589  1.00 46.62 10 A 1 
ATOM 75  O OG1 . THR A 1 10 ? -13.550 -8.302  -3.274  1.00 41.45 10 A 1 
ATOM 76  C CG2 . THR A 1 10 ? -15.562 -8.900  -4.454  1.00 40.35 10 A 1 
ATOM 77  N N   . GLN A 1 11 ? -12.746 -6.104  -5.445  1.00 52.26 11 A 1 
ATOM 78  C CA  . GLN A 1 11 ? -11.835 -6.114  -6.571  1.00 52.46 11 A 1 
ATOM 79  C C   . GLN A 1 11 ? -10.411 -6.363  -6.098  1.00 53.97 11 A 1 
ATOM 80  O O   . GLN A 1 11 ? -10.140 -6.438  -4.900  1.00 50.98 11 A 1 
ATOM 81  C CB  . GLN A 1 11 ? -11.914 -4.787  -7.328  1.00 49.53 11 A 1 
ATOM 82  C CG  . GLN A 1 11 ? -11.579 -3.578  -6.482  1.00 44.28 11 A 1 
ATOM 83  C CD  . GLN A 1 11 ? -11.725 -2.271  -7.242  1.00 40.24 11 A 1 
ATOM 84  O OE1 . GLN A 1 11 ? -11.543 -1.202  -6.679  1.00 38.71 11 A 1 
ATOM 85  N NE2 . GLN A 1 11 ? -12.045 -2.330  -8.514  1.00 37.62 11 A 1 
ATOM 86  N N   . CYS A 1 12 ? -9.520  -6.507  -7.058  1.00 57.98 12 A 1 
ATOM 87  C CA  . CYS A 1 12 ? -8.125  -6.769  -6.739  1.00 57.61 12 A 1 
ATOM 88  C C   . CYS A 1 12 ? -7.509  -5.578  -6.012  1.00 59.40 12 A 1 
ATOM 89  O O   . CYS A 1 12 ? -7.686  -4.438  -6.436  1.00 55.35 12 A 1 
ATOM 90  C CB  . CYS A 1 12 ? -7.339  -7.066  -8.017  1.00 53.45 12 A 1 
ATOM 91  S SG  . CYS A 1 12 ? -8.014  -8.457  -8.964  1.00 46.70 12 A 1 
ATOM 92  N N   . PRO A 1 13 ? -6.794  -5.836  -4.918  1.00 57.83 13 A 1 
ATOM 93  C CA  . PRO A 1 13 ? -6.164  -4.801  -4.100  1.00 58.06 13 A 1 
ATOM 94  C C   . PRO A 1 13 ? -4.942  -4.183  -4.774  1.00 60.80 13 A 1 
ATOM 95  O O   . PRO A 1 13 ? -4.381  -3.211  -4.279  1.00 58.36 13 A 1 
ATOM 96  C CB  . PRO A 1 13 ? -5.763  -5.552  -2.827  1.00 53.88 13 A 1 
ATOM 97  C CG  . PRO A 1 13 ? -5.548  -6.954  -3.277  1.00 52.75 13 A 1 
ATOM 98  C CD  . PRO A 1 13 ? -6.550  -7.184  -4.377  1.00 53.71 13 A 1 
ATOM 99  N N   . LEU A 1 14 ? -4.547  -4.746  -5.891  1.00 62.77 14 A 1 
ATOM 100 C CA  . LEU A 1 14 ? -3.369  -4.262  -6.590  1.00 64.69 14 A 1 
ATOM 101 C C   . LEU A 1 14 ? -3.670  -2.993  -7.386  1.00 66.70 14 A 1 
ATOM 102 O O   . LEU A 1 14 ? -4.310  -3.016  -8.428  1.00 64.61 14 A 1 
ATOM 103 C CB  . LEU A 1 14 ? -2.790  -5.358  -7.492  1.00 61.87 14 A 1 
ATOM 104 C CG  . LEU A 1 14 ? -3.748  -6.029  -8.482  1.00 57.67 14 A 1 
ATOM 105 C CD1 . LEU A 1 14 ? -3.794  -5.286  -9.806  1.00 54.65 14 A 1 
ATOM 106 C CD2 . LEU A 1 14 ? -3.353  -7.480  -8.710  1.00 55.85 14 A 1 
ATOM 107 N N   . LEU A 1 15 ? -3.206  -1.883  -6.856  1.00 73.31 15 A 1 
ATOM 108 C CA  . LEU A 1 15 ? -3.338  -0.607  -7.539  1.00 73.69 15 A 1 
ATOM 109 C C   . LEU A 1 15 ? -2.078  -0.339  -8.344  1.00 75.50 15 A 1 
ATOM 110 O O   . LEU A 1 15 ? -2.127  0.121   -9.481  1.00 70.76 15 A 1 
ATOM 111 C CB  . LEU A 1 15 ? -3.561  0.524   -6.527  1.00 69.39 15 A 1 
ATOM 112 C CG  . LEU A 1 15 ? -3.657  1.921   -7.133  1.00 64.35 15 A 1 
ATOM 113 C CD1 . LEU A 1 15 ? -4.877  2.028   -8.028  1.00 60.71 15 A 1 
ATOM 114 C CD2 . LEU A 1 15 ? -3.697  2.976   -6.044  1.00 60.60 15 A 1 
ATOM 115 N N   . ASN A 1 16 ? -0.959  -0.637  -7.727  1.00 79.46 16 A 1 
ATOM 116 C CA  . ASN A 1 16 ? 0.332   -0.471  -8.360  1.00 80.38 16 A 1 
ATOM 117 C C   . ASN A 1 16 ? 0.755   -1.760  -9.049  1.00 81.78 16 A 1 
ATOM 118 O O   . ASN A 1 16 ? 0.439   -2.855  -8.593  1.00 79.89 16 A 1 
ATOM 119 C CB  . ASN A 1 16 ? 1.394   -0.045  -7.339  1.00 76.92 16 A 1 
ATOM 120 C CG  . ASN A 1 16 ? 1.447   -0.955  -6.132  1.00 74.25 16 A 1 
ATOM 121 O OD1 . ASN A 1 16 ? 0.446   -1.180  -5.454  1.00 65.94 16 A 1 
ATOM 122 N ND2 . ASN A 1 16 ? 2.620   -1.485  -5.845  1.00 70.40 16 A 1 
ATOM 123 N N   . MET A 1 17 ? 1.456   -1.605  -10.141 1.00 82.95 17 A 1 
ATOM 124 C CA  . MET A 1 17 ? 1.902   -2.759  -10.908 1.00 84.09 17 A 1 
ATOM 125 C C   . MET A 1 17 ? 3.066   -3.466  -10.232 1.00 87.01 17 A 1 
ATOM 126 O O   . MET A 1 17 ? 3.161   -4.691  -10.245 1.00 85.71 17 A 1 
ATOM 127 C CB  . MET A 1 17 ? 2.307   -2.327  -12.315 1.00 80.98 17 A 1 
ATOM 128 C CG  . MET A 1 17 ? 1.169   -1.725  -13.126 1.00 74.17 17 A 1 
ATOM 129 S SD  . MET A 1 17 ? -0.042  -2.930  -13.671 1.00 66.13 17 A 1 
ATOM 130 C CE  . MET A 1 17 ? -1.156  -2.994  -12.279 1.00 58.43 17 A 1 
ATOM 131 N N   . THR A 1 18 ? 3.948   -2.673  -9.648  1.00 86.59 18 A 1 
ATOM 132 C CA  . THR A 1 18 ? 5.121   -3.226  -8.992  1.00 87.67 18 A 1 
ATOM 133 C C   . THR A 1 18 ? 5.324   -2.633  -7.606  1.00 87.57 18 A 1 
ATOM 134 O O   . THR A 1 18 ? 4.832   -1.545  -7.303  1.00 85.10 18 A 1 
ATOM 135 C CB  . THR A 1 18 ? 6.396   -2.973  -9.817  1.00 87.25 18 A 1 
ATOM 136 O OG1 . THR A 1 18 ? 6.555   -1.574  -10.048 1.00 80.33 18 A 1 
ATOM 137 C CG2 . THR A 1 18 ? 6.332   -3.692  -11.152 1.00 79.48 18 A 1 
ATOM 138 N N   . CYS A 1 19 ? 6.035   -3.353  -6.775  1.00 88.56 19 A 1 
ATOM 139 C CA  . CYS A 1 19 ? 6.359   -2.874  -5.442  1.00 87.91 19 A 1 
ATOM 140 C C   . CYS A 1 19 ? 7.462   -1.819  -5.543  1.00 87.50 19 A 1 
ATOM 141 O O   . CYS A 1 19 ? 8.542   -2.111  -6.050  1.00 86.20 19 A 1 
ATOM 142 C CB  . CYS A 1 19 ? 6.822   -4.031  -4.555  1.00 87.28 19 A 1 
ATOM 143 S SG  . CYS A 1 19 ? 7.319   -3.537  -2.887  1.00 84.91 19 A 1 
ATOM 144 N N   . PRO A 1 20 ? 7.186   -0.602  -5.072  1.00 87.77 20 A 1 
ATOM 145 C CA  . PRO A 1 20 ? 8.143   0.509   -5.156  1.00 86.06 20 A 1 
ATOM 146 C C   . PRO A 1 20 ? 9.424   0.245   -4.370  1.00 86.81 20 A 1 
ATOM 147 O O   . PRO A 1 20 ? 10.429  0.925   -4.574  1.00 84.20 20 A 1 
ATOM 148 C CB  . PRO A 1 20 ? 7.378   1.693   -4.555  1.00 83.82 20 A 1 
ATOM 149 C CG  . PRO A 1 20 ? 6.312   1.078   -3.718  1.00 81.77 20 A 1 
ATOM 150 C CD  . PRO A 1 20 ? 5.946   -0.215  -4.387  1.00 84.86 20 A 1 
ATOM 151 N N   . LEU A 1 21 ? 9.375   -0.726  -3.485  1.00 87.00 21 A 1 
ATOM 152 C CA  . LEU A 1 21 ? 10.543  -1.066  -2.684  1.00 87.30 21 A 1 
ATOM 153 C C   . LEU A 1 21 ? 11.401  -2.133  -3.350  1.00 88.17 21 A 1 
ATOM 154 O O   . LEU A 1 21 ? 12.594  -1.943  -3.568  1.00 85.82 21 A 1 
ATOM 155 C CB  . LEU A 1 21 ? 10.112  -1.538  -1.293  1.00 85.62 21 A 1 
ATOM 156 C CG  . LEU A 1 21 ? 9.527   -0.454  -0.389  1.00 83.70 21 A 1 
ATOM 157 C CD1 . LEU A 1 21 ? 9.008   -1.051  0.909   1.00 81.40 21 A 1 
ATOM 158 C CD2 . LEU A 1 21 ? 10.564  0.618   -0.110  1.00 80.68 21 A 1 
ATOM 159 N N   . SER A 1 22 ? 10.781  -3.254  -3.665  1.00 88.65 22 A 1 
ATOM 160 C CA  . SER A 1 22 ? 11.504  -4.362  -4.277  1.00 89.92 22 A 1 
ATOM 161 C C   . SER A 1 22 ? 11.564  -4.227  -5.791  1.00 90.99 22 A 1 
ATOM 162 O O   . SER A 1 22 ? 12.479  -4.726  -6.439  1.00 89.43 22 A 1 
ATOM 163 C CB  . SER A 1 22 ? 10.862  -5.696  -3.896  1.00 88.84 22 A 1 
ATOM 164 O OG  . SER A 1 22 ? 9.520   -5.765  -4.321  1.00 84.50 22 A 1 
ATOM 165 N N   . GLY A 1 23 ? 10.567  -3.534  -6.339  1.00 90.02 23 A 1 
ATOM 166 C CA  . GLY A 1 23 ? 10.513  -3.335  -7.778  1.00 90.83 23 A 1 
ATOM 167 C C   . GLY A 1 23 ? 9.907   -4.517  -8.505  1.00 92.49 23 A 1 
ATOM 168 O O   . GLY A 1 23 ? 9.781   -4.512  -9.730  1.00 90.67 23 A 1 
ATOM 169 N N   . LYS A 1 24 ? 9.529   -5.515  -7.749  1.00 91.26 24 A 1 
ATOM 170 C CA  . LYS A 1 24 ? 8.935   -6.709  -8.324  1.00 91.79 24 A 1 
ATOM 171 C C   . LYS A 1 24 ? 7.432   -6.535  -8.490  1.00 91.88 24 A 1 
ATOM 172 O O   . LYS A 1 24 ? 6.793   -5.836  -7.699  1.00 91.10 24 A 1 
ATOM 173 C CB  . LYS A 1 24 ? 9.217   -7.921  -7.441  1.00 91.16 24 A 1 
ATOM 174 C CG  . LYS A 1 24 ? 10.698  -8.238  -7.293  1.00 87.74 24 A 1 
ATOM 175 C CD  . LYS A 1 24 ? 10.921  -9.495  -6.462  1.00 85.81 24 A 1 
ATOM 176 C CE  . LYS A 1 24 ? 10.359  -9.366  -5.056  1.00 81.37 24 A 1 
ATOM 177 N NZ  . LYS A 1 24 ? 10.603  -10.583 -4.248  1.00 73.88 24 A 1 
ATOM 178 N N   . PRO A 1 25 ? 6.850   -7.153  -9.510  1.00 90.96 25 A 1 
ATOM 179 C CA  . PRO A 1 25 ? 5.404   -7.103  -9.734  1.00 90.53 25 A 1 
ATOM 180 C C   . PRO A 1 25 ? 4.649   -7.637  -8.524  1.00 90.08 25 A 1 
ATOM 181 O O   . PRO A 1 25 ? 5.069   -8.623  -7.920  1.00 88.55 25 A 1 
ATOM 182 C CB  . PRO A 1 25 ? 5.187   -8.010  -10.946 1.00 89.41 25 A 1 
ATOM 183 C CG  . PRO A 1 25 ? 6.515   -8.066  -11.625 1.00 87.09 25 A 1 
ATOM 184 C CD  . PRO A 1 25 ? 7.544   -7.932  -10.541 1.00 90.10 25 A 1 
ATOM 185 N N   . VAL A 1 26 ? 3.544   -6.989  -8.175  1.00 88.18 26 A 1 
ATOM 186 C CA  . VAL A 1 26 ? 2.764   -7.390  -7.011  1.00 87.12 26 A 1 
ATOM 187 C C   . VAL A 1 26 ? 2.217   -8.803  -7.155  1.00 86.91 26 A 1 
ATOM 188 O O   . VAL A 1 26 ? 1.872   -9.453  -6.175  1.00 84.76 26 A 1 
ATOM 189 C CB  . VAL A 1 26 ? 1.594   -6.415  -6.761  1.00 85.38 26 A 1 
ATOM 190 C CG1 . VAL A 1 26 ? 2.119   -5.023  -6.436  1.00 78.14 26 A 1 
ATOM 191 C CG2 . VAL A 1 26 ? 0.665   -6.369  -7.963  1.00 79.41 26 A 1 
ATOM 192 N N   . THR A 1 27 ? 2.148   -9.254  -8.381  1.00 87.03 27 A 1 
ATOM 193 C CA  . THR A 1 27 ? 1.656   -10.597 -8.660  1.00 85.98 27 A 1 
ATOM 194 C C   . THR A 1 27 ? 2.756   -11.637 -8.471  1.00 86.78 27 A 1 
ATOM 195 O O   . THR A 1 27 ? 2.490   -12.834 -8.410  1.00 84.91 27 A 1 
ATOM 196 C CB  . THR A 1 27 ? 1.115   -10.699 -10.094 1.00 83.28 27 A 1 
ATOM 197 O OG1 . THR A 1 27 ? 2.095   -10.245 -11.024 1.00 75.78 27 A 1 
ATOM 198 C CG2 . THR A 1 27 ? -0.144  -9.866  -10.247 1.00 72.94 27 A 1 
ATOM 199 N N   . GLU A 1 28 ? 3.975   -11.153 -8.379  1.00 88.39 28 A 1 
ATOM 200 C CA  . GLU A 1 28 ? 5.120   -12.038 -8.223  1.00 88.82 28 A 1 
ATOM 201 C C   . GLU A 1 28 ? 5.670   -11.997 -6.803  1.00 89.18 28 A 1 
ATOM 202 O O   . GLU A 1 28 ? 6.679   -12.630 -6.490  1.00 87.25 28 A 1 
ATOM 203 C CB  . GLU A 1 28 ? 6.230   -11.663 -9.212  1.00 87.61 28 A 1 
ATOM 204 C CG  . GLU A 1 28 ? 5.848   -11.885 -10.662 1.00 81.19 28 A 1 
ATOM 205 C CD  . GLU A 1 28 ? 5.569   -13.342 -10.965 1.00 76.86 28 A 1 
ATOM 206 O OE1 . GLU A 1 28 ? 6.426   -14.186 -10.657 1.00 71.54 28 A 1 
ATOM 207 O OE2 . GLU A 1 28 ? 4.496   -13.640 -11.511 1.00 72.12 28 A 1 
ATOM 208 N N   . LEU A 1 29 ? 5.009   -11.232 -5.950  1.00 89.93 29 A 1 
ATOM 209 C CA  . LEU A 1 29 ? 5.437   -11.103 -4.567  1.00 89.73 29 A 1 
ATOM 210 C C   . LEU A 1 29 ? 5.112   -12.370 -3.787  1.00 89.33 29 A 1 
ATOM 211 O O   . LEU A 1 29 ? 4.049   -12.962 -3.960  1.00 87.89 29 A 1 
ATOM 212 C CB  . LEU A 1 29 ? 4.774   -9.898  -3.899  1.00 89.28 29 A 1 
ATOM 213 C CG  . LEU A 1 29 ? 5.068   -8.542  -4.543  1.00 88.41 29 A 1 
ATOM 214 C CD1 . LEU A 1 29 ? 4.349   -7.426  -3.807  1.00 85.94 29 A 1 
ATOM 215 C CD2 . LEU A 1 29 ? 6.563   -8.280  -4.588  1.00 85.71 29 A 1 
ATOM 216 N N   . ALA A 1 30 ? 6.034   -12.765 -2.936  1.00 89.83 30 A 1 
ATOM 217 C CA  . ALA A 1 30 ? 5.842   -13.961 -2.132  1.00 88.46 30 A 1 
ATOM 218 C C   . ALA A 1 30 ? 4.702   -13.768 -1.142  1.00 88.55 30 A 1 
ATOM 219 O O   . ALA A 1 30 ? 3.843   -14.631 -0.981  1.00 84.62 30 A 1 
ATOM 220 C CB  . ALA A 1 30 ? 7.127   -14.307 -1.393  1.00 86.15 30 A 1 
ATOM 221 N N   . ASP A 1 31 ? 4.704   -12.620 -0.490  1.00 89.58 31 A 1 
ATOM 222 C CA  . ASP A 1 31 ? 3.654   -12.287 0.461   1.00 89.63 31 A 1 
ATOM 223 C C   . ASP A 1 31 ? 3.323   -10.804 0.352   1.00 90.08 31 A 1 
ATOM 224 O O   . ASP A 1 31 ? 3.892   -9.979  1.070   1.00 88.17 31 A 1 
ATOM 225 C CB  . ASP A 1 31 ? 4.091   -12.635 1.885   1.00 87.32 31 A 1 
ATOM 226 C CG  . ASP A 1 31 ? 2.927   -12.668 2.863   1.00 80.43 31 A 1 
ATOM 227 O OD1 . ASP A 1 31 ? 2.073   -11.772 2.812   1.00 76.56 31 A 1 
ATOM 228 O OD2 . ASP A 1 31 ? 2.880   -13.596 3.690   1.00 76.74 31 A 1 
ATOM 229 N N   . PRO A 1 32 ? 2.422   -10.455 -0.567  1.00 89.83 32 A 1 
ATOM 230 C CA  . PRO A 1 32 ? 2.032   -9.066  -0.787  1.00 89.01 32 A 1 
ATOM 231 C C   . PRO A 1 32 ? 1.092   -8.544  0.290   1.00 88.39 32 A 1 
ATOM 232 O O   . PRO A 1 32 ? 0.125   -9.208  0.658   1.00 86.33 32 A 1 
ATOM 233 C CB  . PRO A 1 32 ? 1.327   -9.105  -2.140  1.00 87.49 32 A 1 
ATOM 234 C CG  . PRO A 1 32 ? 0.784   -10.493 -2.233  1.00 85.32 32 A 1 
ATOM 235 C CD  . PRO A 1 32 ? 1.741   -11.378 -1.488  1.00 88.45 32 A 1 
ATOM 236 N N   . VAL A 1 33 ? 1.381   -7.353  0.789   1.00 89.00 33 A 1 
ATOM 237 C CA  . VAL A 1 33 ? 0.532   -6.715  1.781   1.00 88.14 33 A 1 
ATOM 238 C C   . VAL A 1 33 ? 0.023   -5.390  1.240   1.00 87.43 33 A 1 
ATOM 239 O O   . VAL A 1 33 ? 0.741   -4.675  0.543   1.00 85.83 33 A 1 
ATOM 240 C CB  . VAL A 1 33 ? 1.282   -6.475  3.109   1.00 87.18 33 A 1 
ATOM 241 C CG1 . VAL A 1 33 ? 1.613   -7.809  3.767   1.00 81.63 33 A 1 
ATOM 242 C CG2 . VAL A 1 33 ? 2.544   -5.665  2.885   1.00 81.97 33 A 1 
ATOM 243 N N   . ARG A 1 34 ? -1.221  -5.072  1.553   1.00 83.92 34 A 1 
ATOM 244 C CA  . ARG A 1 34 ? -1.839  -3.853  1.052   1.00 82.64 34 A 1 
ATOM 245 C C   . ARG A 1 34 ? -2.014  -2.832  2.155   1.00 82.06 34 A 1 
ATOM 246 O O   . ARG A 1 34 ? -2.349  -3.174  3.288   1.00 79.47 34 A 1 
ATOM 247 C CB  . ARG A 1 34 ? -3.197  -4.167  0.423   1.00 80.42 34 A 1 
ATOM 248 C CG  . ARG A 1 34 ? -3.879  -2.968  -0.190  1.00 73.25 34 A 1 
ATOM 249 C CD  . ARG A 1 34 ? -5.323  -3.264  -0.548  1.00 70.28 34 A 1 
ATOM 250 N NE  . ARG A 1 34 ? -6.103  -3.620  0.636   1.00 66.55 34 A 1 
ATOM 251 C CZ  . ARG A 1 34 ? -7.425  -3.751  0.651   1.00 61.46 34 A 1 
ATOM 252 N NH1 . ARG A 1 34 ? -8.124  -3.566  -0.451  1.00 57.51 34 A 1 
ATOM 253 N NH2 . ARG A 1 34 ? -8.041  -4.073  1.775   1.00 55.59 34 A 1 
ATOM 254 N N   . SER A 1 35 ? -1.805  -1.586  1.817   1.00 82.41 35 A 1 
ATOM 255 C CA  . SER A 1 35 ? -2.028  -0.499  2.752   1.00 80.35 35 A 1 
ATOM 256 C C   . SER A 1 35 ? -3.504  -0.117  2.741   1.00 80.10 35 A 1 
ATOM 257 O O   . SER A 1 35 ? -4.149  -0.147  1.695   1.00 78.01 35 A 1 
ATOM 258 C CB  . SER A 1 35 ? -1.154  0.703   2.396   1.00 78.36 35 A 1 
ATOM 259 O OG  . SER A 1 35 ? -1.275  1.033   1.030   1.00 69.41 35 A 1 
ATOM 260 N N   . MET A 1 36 ? -4.041  0.215   3.897   1.00 78.33 36 A 1 
ATOM 261 C CA  . MET A 1 36 ? -5.459  0.530   3.999   1.00 76.59 36 A 1 
ATOM 262 C C   . MET A 1 36 ? -5.776  1.946   3.533   1.00 76.45 36 A 1 
ATOM 263 O O   . MET A 1 36 ? -6.831  2.191   2.958   1.00 72.54 36 A 1 
ATOM 264 C CB  . MET A 1 36 ? -5.955  0.341   5.438   1.00 75.07 36 A 1 
ATOM 265 C CG  . MET A 1 36 ? -5.146  1.095   6.477   1.00 68.64 36 A 1 
ATOM 266 S SD  . MET A 1 36 ? -5.920  1.099   8.106   1.00 61.55 36 A 1 
ATOM 267 C CE  . MET A 1 36 ? -6.299  -0.638  8.326   1.00 56.15 36 A 1 
ATOM 268 N N   . ASP A 1 37 ? -4.865  2.870   3.783   1.00 76.49 37 A 1 
ATOM 269 C CA  . ASP A 1 37 ? -5.077  4.254   3.385   1.00 75.26 37 A 1 
ATOM 270 C C   . ASP A 1 37 ? -4.965  4.407   1.877   1.00 75.78 37 A 1 
ATOM 271 O O   . ASP A 1 37 ? -5.811  5.015   1.227   1.00 70.95 37 A 1 
ATOM 272 C CB  . ASP A 1 37 ? -4.079  5.176   4.083   1.00 72.74 37 A 1 
ATOM 273 C CG  . ASP A 1 37 ? -4.348  5.285   5.567   1.00 67.02 37 A 1 
ATOM 274 O OD1 . ASP A 1 37 ? -5.186  6.121   5.957   1.00 61.83 37 A 1 
ATOM 275 O OD2 . ASP A 1 37 ? -3.730  4.537   6.335   1.00 62.33 37 A 1 
ATOM 276 N N   . CYS A 1 38 ? -3.909  3.851   1.335   1.00 80.29 38 A 1 
ATOM 277 C CA  . CYS A 1 38 ? -3.761  3.794   -0.104  1.00 79.11 38 A 1 
ATOM 278 C C   . CYS A 1 38 ? -4.016  2.366   -0.564  1.00 79.40 38 A 1 
ATOM 279 O O   . CYS A 1 38 ? -4.267  1.477   0.239   1.00 74.79 38 A 1 
ATOM 280 C CB  . CYS A 1 38 ? -2.364  4.268   -0.529  1.00 75.62 38 A 1 
ATOM 281 S SG  . CYS A 1 38 ? -1.002  3.599   0.454   1.00 71.87 38 A 1 
ATOM 282 N N   . ARG A 1 39 ? -3.962  2.154   -1.851  1.00 80.18 39 A 1 
ATOM 283 C CA  . ARG A 1 39 ? -4.239  0.829   -2.383  1.00 80.06 39 A 1 
ATOM 284 C C   . ARG A 1 39 ? -2.978  0.190   -2.945  1.00 81.62 39 A 1 
ATOM 285 O O   . ARG A 1 39 ? -3.036  -0.723  -3.771  1.00 79.13 39 A 1 
ATOM 286 C CB  . ARG A 1 39 ? -5.333  0.907   -3.449  1.00 77.30 39 A 1 
ATOM 287 C CG  . ARG A 1 39 ? -6.653  1.415   -2.894  1.00 71.89 39 A 1 
ATOM 288 C CD  . ARG A 1 39 ? -7.661  1.666   -3.995  1.00 66.93 39 A 1 
ATOM 289 N NE  . ARG A 1 39 ? -7.956  0.468   -4.766  1.00 62.65 39 A 1 
ATOM 290 C CZ  . ARG A 1 39 ? -8.769  0.436   -5.813  1.00 55.02 39 A 1 
ATOM 291 N NH1 . ARG A 1 39 ? -9.369  1.536   -6.216  1.00 52.25 39 A 1 
ATOM 292 N NH2 . ARG A 1 39 ? -8.981  -0.699  -6.460  1.00 48.40 39 A 1 
ATOM 293 N N   . HIS A 1 40 ? -1.856  0.696   -2.487  1.00 82.67 40 A 1 
ATOM 294 C CA  . HIS A 1 40 ? -0.574  0.192   -2.950  1.00 84.24 40 A 1 
ATOM 295 C C   . HIS A 1 40 ? -0.223  -1.117  -2.261  1.00 85.70 40 A 1 
ATOM 296 O O   . HIS A 1 40 ? -0.524  -1.321  -1.088  1.00 84.84 40 A 1 
ATOM 297 C CB  . HIS A 1 40 ? 0.526   1.220   -2.700  1.00 83.23 40 A 1 
ATOM 298 C CG  . HIS A 1 40 ? 0.391   2.454   -3.535  1.00 81.82 40 A 1 
ATOM 299 N ND1 . HIS A 1 40 ? 0.029   3.666   -3.020  1.00 74.27 40 A 1 
ATOM 300 C CD2 . HIS A 1 40 ? 0.564   2.642   -4.853  1.00 74.80 40 A 1 
ATOM 301 C CE1 . HIS A 1 40 ? -0.012  4.557   -3.993  1.00 75.00 40 A 1 
ATOM 302 N NE2 . HIS A 1 40 ? 0.308   3.969   -5.125  1.00 76.61 40 A 1 
ATOM 303 N N   . VAL A 1 41 ? 0.412   -1.992  -3.008  1.00 85.50 41 A 1 
ATOM 304 C CA  . VAL A 1 41 ? 0.807   -3.284  -2.479  1.00 86.77 41 A 1 
ATOM 305 C C   . VAL A 1 41 ? 2.323   -3.363  -2.379  1.00 87.66 41 A 1 
ATOM 306 O O   . VAL A 1 41 ? 3.034   -3.007  -3.318  1.00 87.27 41 A 1 
ATOM 307 C CB  . VAL A 1 41 ? 0.293   -4.436  -3.357  1.00 86.00 41 A 1 
ATOM 308 C CG1 . VAL A 1 41 ? 0.712   -5.782  -2.780  1.00 82.21 41 A 1 
ATOM 309 C CG2 . VAL A 1 41 ? -1.219  -4.365  -3.489  1.00 82.77 41 A 1 
ATOM 310 N N   . TYR A 1 42 ? 2.793   -3.821  -1.234  1.00 87.51 42 A 1 
ATOM 311 C CA  . TYR A 1 42 ? 4.220   -3.938  -1.000  1.00 88.83 42 A 1 
ATOM 312 C C   . TYR A 1 42 ? 4.579   -5.367  -0.634  1.00 90.05 42 A 1 
ATOM 313 O O   . TYR A 1 42 ? 3.722   -6.154  -0.231  1.00 89.53 42 A 1 
ATOM 314 C CB  . TYR A 1 42 ? 4.657   -3.012  0.133   1.00 88.02 42 A 1 
ATOM 315 C CG  . TYR A 1 42 ? 4.264   -1.570  -0.061  1.00 88.08 42 A 1 
ATOM 316 C CD1 . TYR A 1 42 ? 5.060   -0.703  -0.789  1.00 85.15 42 A 1 
ATOM 317 C CD2 . TYR A 1 42 ? 3.091   -1.079  0.491   1.00 84.96 42 A 1 
ATOM 318 C CE1 . TYR A 1 42 ? 4.696   0.618   -0.965  1.00 83.32 42 A 1 
ATOM 319 C CE2 . TYR A 1 42 ? 2.721   0.241   0.315   1.00 83.31 42 A 1 
ATOM 320 C CZ  . TYR A 1 42 ? 3.527   1.085   -0.413  1.00 84.09 42 A 1 
ATOM 321 O OH  . TYR A 1 42 ? 3.163   2.392   -0.584  1.00 82.04 42 A 1 
ATOM 322 N N   . GLU A 1 43 ? 5.836   -5.686  -0.775  1.00 89.21 43 A 1 
ATOM 323 C CA  . GLU A 1 43 ? 6.306   -6.999  -0.369  1.00 90.05 43 A 1 
ATOM 324 C C   . GLU A 1 43 ? 6.439   -7.015  1.149   1.00 89.94 43 A 1 
ATOM 325 O O   . GLU A 1 43 ? 7.094   -6.149  1.727   1.00 89.15 43 A 1 
ATOM 326 C CB  . GLU A 1 43 ? 7.645   -7.317  -1.028  1.00 89.96 43 A 1 
ATOM 327 C CG  . GLU A 1 43 ? 8.133   -8.729  -0.754  1.00 88.13 43 A 1 
ATOM 328 C CD  . GLU A 1 43 ? 9.392   -9.071  -1.528  1.00 85.80 43 A 1 
ATOM 329 O OE1 . GLU A 1 43 ? 10.062  -8.146  -2.018  1.00 80.70 43 A 1 
ATOM 330 O OE2 . GLU A 1 43 ? 9.709   -10.265 -1.641  1.00 80.78 43 A 1 
ATOM 331 N N   . LYS A 1 44 ? 5.806   -7.994  1.772   1.00 90.37 44 A 1 
ATOM 332 C CA  . LYS A 1 44 ? 5.759   -8.087  3.229   1.00 90.07 44 A 1 
ATOM 333 C C   . LYS A 1 44 ? 7.135   -7.977  3.869   1.00 89.08 44 A 1 
ATOM 334 O O   . LYS A 1 44 ? 7.354   -7.163  4.765   1.00 88.28 44 A 1 
ATOM 335 C CB  . LYS A 1 44 ? 5.103   -9.404  3.648   1.00 89.53 44 A 1 
ATOM 336 C CG  . LYS A 1 44 ? 4.935   -9.561  5.148   1.00 88.59 44 A 1 
ATOM 337 C CD  . LYS A 1 44 ? 4.271   -10.885 5.482   1.00 86.08 44 A 1 
ATOM 338 C CE  . LYS A 1 44 ? 4.087   -11.061 6.979   1.00 81.11 44 A 1 
ATOM 339 N NZ  . LYS A 1 44 ? 3.462   -12.367 7.301   1.00 73.72 44 A 1 
ATOM 340 N N   . SER A 1 45 ? 8.053   -8.796  3.403   1.00 93.09 45 A 1 
ATOM 341 C CA  . SER A 1 45 ? 9.404   -8.812  3.955   1.00 92.43 45 A 1 
ATOM 342 C C   . SER A 1 45 ? 10.088  -7.452  3.832   1.00 91.90 45 A 1 
ATOM 343 O O   . SER A 1 45 ? 10.728  -6.976  4.770   1.00 90.04 45 A 1 
ATOM 344 C CB  . SER A 1 45 ? 10.255  -9.874  3.255   1.00 91.68 45 A 1 
ATOM 345 O OG  . SER A 1 45 ? 11.558  -9.923  3.795   1.00 81.11 45 A 1 
ATOM 346 N N   . VAL A 1 46 ? 9.928   -6.832  2.676   1.00 91.67 46 A 1 
ATOM 347 C CA  . VAL A 1 46 ? 10.572  -5.550  2.410   1.00 90.63 46 A 1 
ATOM 348 C C   . VAL A 1 46 ? 9.900   -4.408  3.164   1.00 89.70 46 A 1 
ATOM 349 O O   . VAL A 1 46 ? 10.576  -3.574  3.768   1.00 87.95 46 A 1 
ATOM 350 C CB  . VAL A 1 46 ? 10.579  -5.232  0.905   1.00 90.09 46 A 1 
ATOM 351 C CG1 . VAL A 1 46 ? 11.291  -3.913  0.641   1.00 84.36 46 A 1 
ATOM 352 C CG2 . VAL A 1 46 ? 11.236  -6.353  0.124   1.00 84.83 46 A 1 
ATOM 353 N N   . ILE A 1 47 ? 8.575   -4.370  3.126   1.00 89.09 47 A 1 
ATOM 354 C CA  . ILE A 1 47 ? 7.842   -3.288  3.767   1.00 87.76 47 A 1 
ATOM 355 C C   . ILE A 1 47 ? 8.007   -3.330  5.283   1.00 87.50 47 A 1 
ATOM 356 O O   . ILE A 1 47 ? 8.134   -2.292  5.929   1.00 86.45 47 A 1 
ATOM 357 C CB  . ILE A 1 47 ? 6.340   -3.313  3.393   1.00 86.17 47 A 1 
ATOM 358 C CG1 . ILE A 1 47 ? 5.630   -2.050  3.920   1.00 82.54 47 A 1 
ATOM 359 C CG2 . ILE A 1 47 ? 5.650   -4.567  3.924   1.00 80.40 47 A 1 
ATOM 360 C CD1 . ILE A 1 47 ? 6.165   -0.774  3.327   1.00 76.38 47 A 1 
ATOM 361 N N   . LEU A 1 48 ? 8.028   -4.518  5.848   1.00 87.45 48 A 1 
ATOM 362 C CA  . LEU A 1 48 ? 8.213   -4.667  7.285   1.00 87.60 48 A 1 
ATOM 363 C C   . LEU A 1 48 ? 9.590   -4.165  7.690   1.00 88.48 48 A 1 
ATOM 364 O O   . LEU A 1 48 ? 9.743   -3.448  8.675   1.00 88.14 48 A 1 
ATOM 365 C CB  . LEU A 1 48 ? 8.046   -6.129  7.706   1.00 86.83 48 A 1 
ATOM 366 C CG  . LEU A 1 48 ? 6.612   -6.658  7.657   1.00 82.05 48 A 1 
ATOM 367 C CD1 . LEU A 1 48 ? 6.569   -8.125  8.050   1.00 79.13 48 A 1 
ATOM 368 C CD2 . LEU A 1 48 ? 5.706   -5.839  8.561   1.00 79.47 48 A 1 
ATOM 369 N N   . HIS A 1 49 ? 10.582  -4.531  6.915   1.00 89.42 49 A 1 
ATOM 370 C CA  . HIS A 1 49 ? 11.947  -4.083  7.157   1.00 90.25 49 A 1 
ATOM 371 C C   . HIS A 1 49 ? 12.032  -2.566  7.047   1.00 90.64 49 A 1 
ATOM 372 O O   . HIS A 1 49 ? 12.713  -1.910  7.835   1.00 90.18 49 A 1 
ATOM 373 C CB  . HIS A 1 49 ? 12.903  -4.738  6.162   1.00 90.40 49 A 1 
ATOM 374 C CG  . HIS A 1 49 ? 14.341  -4.355  6.368   1.00 87.25 49 A 1 
ATOM 375 N ND1 . HIS A 1 49 ? 15.176  -5.010  7.241   1.00 76.57 49 A 1 
ATOM 376 C CD2 . HIS A 1 49 ? 15.087  -3.380  5.803   1.00 77.34 49 A 1 
ATOM 377 C CE1 . HIS A 1 49 ? 16.372  -4.447  7.197   1.00 78.61 49 A 1 
ATOM 378 N NE2 . HIS A 1 49 ? 16.354  -3.456  6.337   1.00 81.38 49 A 1 
ATOM 379 N N   . TYR A 1 50 ? 11.327  -2.023  6.072   1.00 88.16 50 A 1 
ATOM 380 C CA  . TYR A 1 50 ? 11.290  -0.585  5.853   1.00 87.92 50 A 1 
ATOM 381 C C   . TYR A 1 50 ? 10.676  0.134   7.049   1.00 88.36 50 A 1 
ATOM 382 O O   . TYR A 1 50 ? 11.195  1.148   7.511   1.00 87.50 50 A 1 
ATOM 383 C CB  . TYR A 1 50 ? 10.490  -0.271  4.588   1.00 87.06 50 A 1 
ATOM 384 C CG  . TYR A 1 50 ? 10.331  1.208   4.325   1.00 86.48 50 A 1 
ATOM 385 C CD1 . TYR A 1 50 ? 11.350  1.942   3.737   1.00 84.20 50 A 1 
ATOM 386 C CD2 . TYR A 1 50 ? 9.158   1.867   4.665   1.00 84.22 50 A 1 
ATOM 387 C CE1 . TYR A 1 50 ? 11.205  3.293   3.494   1.00 82.81 50 A 1 
ATOM 388 C CE2 . TYR A 1 50 ? 9.007   3.222   4.428   1.00 82.88 50 A 1 
ATOM 389 C CZ  . TYR A 1 50 ? 10.032  3.930   3.843   1.00 82.64 50 A 1 
ATOM 390 O OH  . TYR A 1 50 ? 9.884   5.270   3.606   1.00 81.03 50 A 1 
ATOM 391 N N   . ILE A 1 51 ? 9.575   -0.409  7.546   1.00 86.28 51 A 1 
ATOM 392 C CA  . ILE A 1 51 ? 8.871   0.179   8.677   1.00 85.97 51 A 1 
ATOM 393 C C   . ILE A 1 51 ? 9.720   0.128   9.943   1.00 88.21 51 A 1 
ATOM 394 O O   . ILE A 1 51 ? 9.758   1.080   10.719  1.00 88.02 51 A 1 
ATOM 395 C CB  . ILE A 1 51 ? 7.529   -0.538  8.931   1.00 83.39 51 A 1 
ATOM 396 C CG1 . ILE A 1 51 ? 6.586   -0.341  7.744   1.00 75.88 51 A 1 
ATOM 397 C CG2 . ILE A 1 51 ? 6.878   -0.026  10.207  1.00 73.00 51 A 1 
ATOM 398 C CD1 . ILE A 1 51 ? 5.325   -1.180  7.828   1.00 70.83 51 A 1 
ATOM 399 N N   . VAL A 1 52 ? 10.391  -0.984  10.139  1.00 87.55 52 A 1 
ATOM 400 C CA  . VAL A 1 52 ? 11.246  -1.150  11.310  1.00 89.03 52 A 1 
ATOM 401 C C   . VAL A 1 52 ? 12.367  -0.117  11.321  1.00 90.48 52 A 1 
ATOM 402 O O   . VAL A 1 52 ? 12.692  0.463   12.359  1.00 90.46 52 A 1 
ATOM 403 C CB  . VAL A 1 52 ? 11.854  -2.564  11.366  1.00 88.90 52 A 1 
ATOM 404 C CG1 . VAL A 1 52 ? 12.873  -2.679  12.501  1.00 82.75 52 A 1 
ATOM 405 C CG2 . VAL A 1 52 ? 10.764  -3.604  11.550  1.00 83.03 52 A 1 
ATOM 406 N N   . ASN A 1 53 ? 12.944  0.104   10.161  1.00 89.48 53 A 1 
ATOM 407 C CA  . ASN A 1 53 ? 14.034  1.062   10.041  1.00 90.00 53 A 1 
ATOM 408 C C   . ASN A 1 53 ? 13.529  2.501   9.972   1.00 89.57 53 A 1 
ATOM 409 O O   . ASN A 1 53 ? 14.226  3.434   10.369  1.00 87.68 53 A 1 
ATOM 410 C CB  . ASN A 1 53 ? 14.884  0.752   8.807   1.00 89.91 53 A 1 
ATOM 411 C CG  . ASN A 1 53 ? 15.751  -0.477  8.997   1.00 87.03 53 A 1 
ATOM 412 O OD1 . ASN A 1 53 ? 16.908  -0.388  9.413   1.00 78.09 53 A 1 
ATOM 413 N ND2 . ASN A 1 53 ? 15.210  -1.638  8.688   1.00 77.28 53 A 1 
ATOM 414 N N   . ASN A 1 54 ? 12.318  2.663   9.472   1.00 88.32 54 A 1 
ATOM 415 C CA  . ASN A 1 54 ? 11.735  3.988   9.327   1.00 86.17 54 A 1 
ATOM 416 C C   . ASN A 1 54 ? 10.288  4.028   9.821   1.00 84.75 54 A 1 
ATOM 417 O O   . ASN A 1 54 ? 9.351   4.086   9.023   1.00 81.48 54 A 1 
ATOM 418 C CB  . ASN A 1 54 ? 11.792  4.437   7.865   1.00 84.65 54 A 1 
ATOM 419 C CG  . ASN A 1 54 ? 13.193  4.418   7.304   1.00 80.64 54 A 1 
ATOM 420 O OD1 . ASN A 1 54 ? 13.602  3.457   6.659   1.00 73.49 54 A 1 
ATOM 421 N ND2 . ASN A 1 54 ? 13.939  5.481   7.546   1.00 74.05 54 A 1 
ATOM 422 N N   . PRO A 1 55 ? 10.100  4.009   11.141  1.00 86.24 55 A 1 
ATOM 423 C CA  . PRO A 1 55 ? 8.758   4.019   11.737  1.00 83.68 55 A 1 
ATOM 424 C C   . PRO A 1 55 ? 8.047   5.357   11.567  1.00 82.38 55 A 1 
ATOM 425 O O   . PRO A 1 55 ? 6.823   5.433   11.638  1.00 77.35 55 A 1 
ATOM 426 C CB  . PRO A 1 55 ? 9.031   3.736   13.217  1.00 82.86 55 A 1 
ATOM 427 C CG  . PRO A 1 55 ? 10.428  4.218   13.440  1.00 82.35 55 A 1 
ATOM 428 C CD  . PRO A 1 55 ? 11.166  3.961   12.157  1.00 85.32 55 A 1 
ATOM 429 N N   . ASN A 1 56 ? 8.824   6.398   11.337  1.00 83.03 56 A 1 
ATOM 430 C CA  . ASN A 1 56 ? 8.260   7.729   11.171  1.00 79.91 56 A 1 
ATOM 431 C C   . ASN A 1 56 ? 8.198   8.142   9.706   1.00 78.27 56 A 1 
ATOM 432 O O   . ASN A 1 56 ? 7.758   9.241   9.372   1.00 74.36 56 A 1 
ATOM 433 C CB  . ASN A 1 56 ? 9.074   8.760   11.955  1.00 78.22 56 A 1 
ATOM 434 C CG  . ASN A 1 56 ? 9.027   8.523   13.452  1.00 72.36 56 A 1 
ATOM 435 O OD1 . ASN A 1 56 ? 8.154   9.034   14.154  1.00 66.13 56 A 1 
ATOM 436 N ND2 . ASN A 1 56 ? 9.969   7.757   13.961  1.00 67.21 56 A 1 
ATOM 437 N N   . ALA A 1 57 ? 8.641   7.255   8.852   1.00 78.82 57 A 1 
ATOM 438 C CA  . ALA A 1 57 ? 8.666   7.542   7.429   1.00 76.05 57 A 1 
ATOM 439 C C   . ALA A 1 57 ? 7.331   7.206   6.774   1.00 76.60 57 A 1 
ATOM 440 O O   . ALA A 1 57 ? 6.560   6.391   7.280   1.00 72.18 57 A 1 
ATOM 441 C CB  . ALA A 1 57 ? 9.789   6.772   6.750   1.00 72.35 57 A 1 
ATOM 442 N N   . ASN A 1 58 ? 7.070   7.856   5.661   1.00 79.68 58 A 1 
ATOM 443 C CA  . ASN A 1 58 ? 5.852   7.612   4.910   1.00 79.38 58 A 1 
ATOM 444 C C   . ASN A 1 58 ? 6.026   6.417   3.988   1.00 80.44 58 A 1 
ATOM 445 O O   . ASN A 1 58 ? 7.138   5.938   3.769   1.00 76.67 58 A 1 
ATOM 446 C CB  . ASN A 1 58 ? 5.478   8.841   4.085   1.00 75.31 58 A 1 
ATOM 447 C CG  . ASN A 1 58 ? 5.241   10.069  4.936   1.00 69.57 58 A 1 
ATOM 448 O OD1 . ASN A 1 58 ? 4.794   9.977   6.079   1.00 61.91 58 A 1 
ATOM 449 N ND2 . ASN A 1 58 ? 5.534   11.238  4.399   1.00 63.94 58 A 1 
ATOM 450 N N   . CYS A 1 59 ? 4.919   5.940   3.446   1.00 80.19 59 A 1 
ATOM 451 C CA  . CYS A 1 59 ? 4.982   4.839   2.503   1.00 79.61 59 A 1 
ATOM 452 C C   . CYS A 1 59 ? 5.719   5.285   1.242   1.00 80.45 59 A 1 
ATOM 453 O O   . CYS A 1 59 ? 5.442   6.357   0.711   1.00 75.57 59 A 1 
ATOM 454 C CB  . CYS A 1 59 ? 3.573   4.360   2.156   1.00 76.12 59 A 1 
ATOM 455 S SG  . CYS A 1 59 ? 2.650   3.740   3.588   1.00 69.06 59 A 1 
ATOM 456 N N   . PRO A 1 60 ? 6.651   4.471   0.767   1.00 80.65 60 A 1 
ATOM 457 C CA  . PRO A 1 60 ? 7.464   4.797   -0.410  1.00 80.31 60 A 1 
ATOM 458 C C   . PRO A 1 60 ? 6.637   4.966   -1.677  1.00 80.86 60 A 1 
ATOM 459 O O   . PRO A 1 60 ? 7.021   5.706   -2.582  1.00 75.31 60 A 1 
ATOM 460 C CB  . PRO A 1 60 ? 8.410   3.601   -0.540  1.00 77.75 60 A 1 
ATOM 461 C CG  . PRO A 1 60 ? 7.718   2.492   0.173   1.00 77.13 60 A 1 
ATOM 462 C CD  . PRO A 1 60 ? 6.961   3.131   1.292   1.00 79.73 60 A 1 
ATOM 463 N N   . GLY A 1 61 ? 5.507   4.271   -1.725  1.00 77.15 61 A 1 
ATOM 464 C CA  . GLY A 1 61 ? 4.644   4.363   -2.890  1.00 75.66 61 A 1 
ATOM 465 C C   . GLY A 1 61 ? 3.625   5.477   -2.772  1.00 76.04 61 A 1 
ATOM 466 O O   . GLY A 1 61 ? 3.175   6.035   -3.773  1.00 71.14 61 A 1 
ATOM 467 N N   . ALA A 1 62 ? 3.270   5.799   -1.541  1.00 73.72 62 A 1 
ATOM 468 C CA  . ALA A 1 62 ? 2.291   6.841   -1.282  1.00 72.17 62 A 1 
ATOM 469 C C   . ALA A 1 62 ? 2.967   8.122   -0.805  1.00 72.62 62 A 1 
ATOM 470 O O   . ALA A 1 62 ? 4.134   8.122   -0.425  1.00 67.47 62 A 1 
ATOM 471 C CB  . ALA A 1 62 ? 1.276   6.373   -0.250  1.00 67.45 62 A 1 
ATOM 472 N N   . GLU A 1 63 ? 2.203   9.198   -0.821  1.00 71.86 63 A 1 
ATOM 473 C CA  . GLU A 1 63 ? 2.723   10.487  -0.394  1.00 71.66 63 A 1 
ATOM 474 C C   . GLU A 1 63 ? 2.481   10.715  1.094   1.00 71.68 63 A 1 
ATOM 475 O O   . GLU A 1 63 ? 2.980   11.670  1.685   1.00 67.57 63 A 1 
ATOM 476 C CB  . GLU A 1 63 ? 2.074   11.614  -1.194  1.00 68.11 63 A 1 
ATOM 477 C CG  . GLU A 1 63 ? 2.327   11.524  -2.683  1.00 61.61 63 A 1 
ATOM 478 C CD  . GLU A 1 63 ? 1.629   12.628  -3.451  1.00 56.28 63 A 1 
ATOM 479 O OE1 . GLU A 1 63 ? 2.132   13.763  -3.442  1.00 52.71 63 A 1 
ATOM 480 O OE2 . GLU A 1 63 ? 0.585   12.349  -4.056  1.00 53.56 63 A 1 
ATOM 481 N N   . VAL A 1 64 ? 1.700   9.833   1.680   1.00 71.11 64 A 1 
ATOM 482 C CA  . VAL A 1 64 ? 1.368   9.927   3.093   1.00 69.96 64 A 1 
ATOM 483 C C   . VAL A 1 64 ? 1.651   8.611   3.796   1.00 70.63 64 A 1 
ATOM 484 O O   . VAL A 1 64 ? 1.826   7.574   3.157   1.00 64.39 64 A 1 
ATOM 485 C CB  . VAL A 1 64 ? -0.113  10.298  3.305   1.00 65.55 64 A 1 
ATOM 486 C CG1 . VAL A 1 64 ? -0.404  11.682  2.750   1.00 60.27 64 A 1 
ATOM 487 C CG2 . VAL A 1 64 ? -1.019  9.260   2.667   1.00 60.82 64 A 1 
ATOM 488 N N   . ASN A 1 65 ? 1.681   8.669   5.115   1.00 71.39 65 A 1 
ATOM 489 C CA  . ASN A 1 65 ? 1.930   7.472   5.899   1.00 71.54 65 A 1 
ATOM 490 C C   . ASN A 1 65 ? 0.672   6.614   5.966   1.00 72.32 65 A 1 
ATOM 491 O O   . ASN A 1 65 ? -0.347  7.037   6.511   1.00 68.84 65 A 1 
ATOM 492 C CB  . ASN A 1 65 ? 2.390   7.833   7.306   1.00 68.10 65 A 1 
ATOM 493 C CG  . ASN A 1 65 ? 2.760   6.613   8.129   1.00 61.68 65 A 1 
ATOM 494 O OD1 . ASN A 1 65 ? 1.926   6.048   8.835   1.00 55.93 65 A 1 
ATOM 495 N ND2 . ASN A 1 65 ? 4.003   6.199   8.051   1.00 56.03 65 A 1 
ATOM 496 N N   . CYS A 1 66 ? 0.743   5.430   5.416   1.00 75.51 66 A 1 
ATOM 497 C CA  . CYS A 1 66 ? -0.398  4.535   5.381   1.00 75.11 66 A 1 
ATOM 498 C C   . CYS A 1 66 ? -0.163  3.322   6.266   1.00 76.32 66 A 1 
ATOM 499 O O   . CYS A 1 66 ? 0.973   2.986   6.594   1.00 72.32 66 A 1 
ATOM 500 C CB  . CYS A 1 66 ? -0.672  4.070   3.953   1.00 70.46 66 A 1 
ATOM 501 S SG  . CYS A 1 66 ? -0.783  5.406   2.749   1.00 63.01 66 A 1 
ATOM 502 N N   . ARG A 1 67 ? -1.249  2.677   6.630   1.00 72.73 67 A 1 
ATOM 503 C CA  . ARG A 1 67 ? -1.159  1.472   7.437   1.00 72.87 67 A 1 
ATOM 504 C C   . ARG A 1 67 ? -1.293  0.242   6.549   1.00 73.03 67 A 1 
ATOM 505 O O   . ARG A 1 67 ? -1.818  0.314   5.441   1.00 71.77 67 A 1 
ATOM 506 C CB  . ARG A 1 67 ? -2.244  1.463   8.512   1.00 69.73 67 A 1 
ATOM 507 C CG  . ARG A 1 67 ? -2.115  2.597   9.513   1.00 65.15 67 A 1 
ATOM 508 C CD  . ARG A 1 67 ? -3.143  2.478   10.620  1.00 61.24 67 A 1 
ATOM 509 N NE  . ARG A 1 67 ? -3.009  3.541   11.613  1.00 58.33 67 A 1 
ATOM 510 C CZ  . ARG A 1 67 ? -3.717  3.617   12.729  1.00 51.49 67 A 1 
ATOM 511 N NH1 . ARG A 1 67 ? -4.622  2.705   13.015  1.00 48.18 67 A 1 
ATOM 512 N NH2 . ARG A 1 67 ? -3.520  4.614   13.570  1.00 45.53 67 A 1 
ATOM 513 N N   . ILE A 1 68 ? -0.831  -0.875  7.067   1.00 73.33 68 A 1 
ATOM 514 C CA  . ILE A 1 68 ? -0.876  -2.109  6.290   1.00 73.73 68 A 1 
ATOM 515 C C   . ILE A 1 68 ? -2.084  -2.947  6.678   1.00 72.65 68 A 1 
ATOM 516 O O   . ILE A 1 68 ? -2.384  -3.116  7.862   1.00 69.68 68 A 1 
ATOM 517 C CB  . ILE A 1 68 ? 0.410   -2.938  6.490   1.00 71.28 68 A 1 
ATOM 518 C CG1 . ILE A 1 68 ? 1.632   -2.105  6.115   1.00 65.96 68 A 1 
ATOM 519 C CG2 . ILE A 1 68 ? 0.358   -4.210  5.659   1.00 64.45 68 A 1 
ATOM 520 C CD1 . ILE A 1 68 ? 1.626   -1.635  4.674   1.00 63.15 68 A 1 
ATOM 521 N N   . ALA A 1 69 ? -2.754  -3.448  5.677   1.00 69.52 69 A 1 
ATOM 522 C CA  . ALA A 1 69 ? -3.924  -4.279  5.903   1.00 67.95 69 A 1 
ATOM 523 C C   . ALA A 1 69 ? -3.817  -5.566  5.094   1.00 67.30 69 A 1 
ATOM 524 O O   . ALA A 1 69 ? -3.051  -5.654  4.135   1.00 62.59 69 A 1 
ATOM 525 C CB  . ALA A 1 69 ? -5.196  -3.524  5.539   1.00 63.89 69 A 1 
ATOM 526 N N   . LYS A 1 70 ? -4.571  -6.552  5.513   1.00 67.81 70 A 1 
ATOM 527 C CA  . LYS A 1 70 ? -4.554  -7.843  4.839   1.00 64.41 70 A 1 
ATOM 528 C C   . LYS A 1 70 ? -5.726  -7.945  3.881   1.00 59.42 70 A 1 
ATOM 529 O O   . LYS A 1 70 ? -6.869  -7.700  4.306   1.00 54.86 70 A 1 
ATOM 530 C CB  . LYS A 1 70 ? -4.625  -8.972  5.861   1.00 60.36 70 A 1 
ATOM 531 C CG  . LYS A 1 70 ? -3.418  -9.016  6.779   1.00 54.79 70 A 1 
ATOM 532 C CD  . LYS A 1 70 ? -3.553  -10.123 7.806   1.00 52.50 70 A 1 
ATOM 533 C CE  . LYS A 1 70 ? -4.650  -9.846  8.810   1.00 49.66 70 A 1 
ATOM 534 N NZ  . LYS A 1 70 ? -4.359  -8.648  9.638   1.00 45.68 70 A 1 
ATOM 535 O OXT . LYS A 1 70 ? -5.522  -8.322  2.712   1.00 50.90 70 A 1 
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