# 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-3f
#
_entry.id sp-ring-3f
#
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 GLY 66 
1 n ALA 67 
1 n GLU 68 
1 n VAL 69 
1 n ASN 70 
1 n CYS 71 
1 n ARG 72 
1 n ILE 73 
1 n ALA 74 
1 n LYS 75 
#
_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 14:27:55)"
_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 65.29
_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 45.70 1 1  
A ASP 2  2 44.55 1 2  
A GLU 3  2 43.42 1 3  
A ASP 4  2 41.86 1 4  
A ILE 5  2 39.52 1 5  
A VAL 6  2 37.84 1 6  
A MET 7  2 36.96 1 7  
A THR 8  2 37.45 1 8  
A SER 9  2 39.74 1 9  
A THR 10 2 38.74 1 10 
A GLN 11 2 42.02 1 11 
A CYS 12 2 49.74 1 12 
A PRO 13 2 55.02 1 13 
A LEU 14 2 59.80 1 14 
A LEU 15 2 67.31 1 15 
A ASN 16 2 73.63 1 16 
A MET 17 2 75.33 1 17 
A THR 18 2 81.89 1 18 
A CYS 19 2 83.44 1 19 
A PRO 20 2 82.14 1 20 
A LEU 21 2 81.25 1 21 
A SER 22 2 85.95 1 22 
A GLY 23 2 88.72 1 23 
A LYS 24 2 83.22 1 24 
A PRO 25 2 87.47 1 25 
A VAL 26 2 81.12 1 26 
A THR 27 2 81.09 1 27 
A GLU 28 2 79.24 1 28 
A LEU 29 2 82.50 1 29 
A ALA 30 2 83.35 1 30 
A ASP 31 2 79.01 1 31 
A PRO 32 2 82.95 1 32 
A VAL 33 2 80.16 1 33 
A ARG 34 2 69.68 1 34 
A SER 35 2 72.81 1 35 
A MET 36 2 63.73 1 36 
A ASP 37 2 62.74 1 37 
A CYS 38 2 70.41 1 38 
A ARG 39 2 65.80 1 39 
A HIS 40 2 77.75 1 40 
A VAL 41 2 81.75 1 41 
A TYR 42 2 82.11 1 42 
A GLU 43 2 81.48 1 43 
A LYS 44 2 79.03 1 44 
A SER 45 2 85.13 1 45 
A VAL 46 2 83.89 1 46 
A ILE 47 2 78.78 1 47 
A LEU 48 2 77.91 1 48 
A HIS 49 2 78.77 1 49 
A TYR 50 2 77.83 1 50 
A ILE 51 2 74.21 1 51 
A VAL 52 2 78.28 1 52 
A ASN 53 2 78.88 1 53 
A ASN 54 2 73.53 1 54 
A PRO 55 2 72.59 1 55 
A ASN 56 2 64.88 1 56 
A ALA 57 2 65.86 1 57 
A ASN 58 2 61.90 1 58 
A CYS 59 2 69.54 1 59 
A PRO 60 2 71.17 1 60 
A VAL 61 2 68.50 1 61 
A ALA 62 2 61.77 1 62 
A ASP 63 2 51.82 1 63 
A LYS 64 2 46.47 1 64 
A ILE 65 2 44.49 1 65 
A GLY 66 2 49.91 1 66 
A ALA 67 2 51.34 1 67 
A GLU 68 2 48.86 1 68 
A VAL 69 2 51.61 1 69 
A ASN 70 2 50.49 1 70 
A CYS 71 2 52.65 1 71 
A ARG 72 2 44.07 1 72 
A ILE 73 2 44.17 1 73 
A ALA 74 2 48.22 1 74 
A LYS 75 2 37.64 1 75 
#
_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 GLY . 66 A 66 
A 67 1 n ALA . 67 A 67 
A 68 1 n GLU . 68 A 68 
A 69 1 n VAL . 69 A 69 
A 70 1 n ASN . 70 A 70 
A 71 1 n CYS . 71 A 71 
A 72 1 n ARG . 72 A 72 
A 73 1 n ILE . 73 A 73 
A 74 1 n ALA . 74 A 74 
A 75 1 n LYS . 75 A 75 
#
_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  ? -34.224 2.950   -3.608  1.00 40.59 1  A 1 
ATOM 2   C CA  . ASP A 1 1  ? -33.274 2.030   -4.246  1.00 50.77 1  A 1 
ATOM 3   C C   . ASP A 1 1  ? -32.036 2.007   -3.369  1.00 54.69 1  A 1 
ATOM 4   O O   . ASP A 1 1  ? -31.210 2.903   -3.472  1.00 51.55 1  A 1 
ATOM 5   C CB  . ASP A 1 1  ? -33.003 2.453   -5.689  1.00 48.49 1  A 1 
ATOM 6   C CG  . ASP A 1 1  ? -34.332 2.402   -6.440  1.00 41.68 1  A 1 
ATOM 7   O OD1 . ASP A 1 1  ? -34.656 1.334   -6.987  1.00 37.68 1  A 1 
ATOM 8   O OD2 . ASP A 1 1  ? -35.116 3.378   -6.275  1.00 40.14 1  A 1 
ATOM 9   N N   . ASP A 1 2  ? -32.012 1.054   -2.427  1.00 41.53 2  A 1 
ATOM 10  C CA  . ASP A 1 2  ? -30.798 0.730   -1.693  1.00 48.81 2  A 1 
ATOM 11  C C   . ASP A 1 2  ? -29.850 0.071   -2.701  1.00 50.22 2  A 1 
ATOM 12  O O   . ASP A 1 2  ? -29.924 -1.126  -2.960  1.00 48.79 2  A 1 
ATOM 13  C CB  . ASP A 1 2  ? -31.119 -0.183  -0.503  1.00 48.01 2  A 1 
ATOM 14  C CG  . ASP A 1 2  ? -31.784 0.593   0.640   1.00 41.57 2  A 1 
ATOM 15  O OD1 . ASP A 1 2  ? -31.037 1.107   1.510   1.00 37.85 2  A 1 
ATOM 16  O OD2 . ASP A 1 2  ? -33.033 0.709   0.623   1.00 39.60 2  A 1 
ATOM 17  N N   . GLU A 1 3  ? -29.028 0.879   -3.329  1.00 43.00 3  A 1 
ATOM 18  C CA  . GLU A 1 3  ? -27.860 0.395   -4.047  1.00 47.24 3  A 1 
ATOM 19  C C   . GLU A 1 3  ? -26.922 -0.165  -2.978  1.00 48.76 3  A 1 
ATOM 20  O O   . GLU A 1 3  ? -26.021 0.516   -2.486  1.00 46.28 3  A 1 
ATOM 21  C CB  . GLU A 1 3  ? -27.209 1.526   -4.864  1.00 46.95 3  A 1 
ATOM 22  C CG  . GLU A 1 3  ? -28.045 1.990   -6.069  1.00 41.75 3  A 1 
ATOM 23  C CD  . GLU A 1 3  ? -27.775 1.196   -7.364  1.00 39.41 3  A 1 
ATOM 24  O OE1 . GLU A 1 3  ? -28.731 0.644   -7.932  1.00 37.59 3  A 1 
ATOM 25  O OE2 . GLU A 1 3  ? -26.604 1.207   -7.823  1.00 39.84 3  A 1 
ATOM 26  N N   . ASP A 1 4  ? -27.216 -1.413  -2.575  1.00 41.03 4  A 1 
ATOM 27  C CA  . ASP A 1 4  ? -26.253 -2.256  -1.898  1.00 45.65 4  A 1 
ATOM 28  C C   . ASP A 1 4  ? -24.986 -2.187  -2.740  1.00 45.65 4  A 1 
ATOM 29  O O   . ASP A 1 4  ? -24.913 -2.732  -3.845  1.00 44.85 4  A 1 
ATOM 30  C CB  . ASP A 1 4  ? -26.759 -3.706  -1.812  1.00 45.52 4  A 1 
ATOM 31  C CG  . ASP A 1 4  ? -27.632 -3.974  -0.587  1.00 39.79 4  A 1 
ATOM 32  O OD1 . ASP A 1 4  ? -27.087 -3.850  0.536   1.00 35.68 4  A 1 
ATOM 33  O OD2 . ASP A 1 4  ? -28.794 -4.386  -0.779  1.00 36.72 4  A 1 
ATOM 34  N N   . ILE A 1 5  ? -23.999 -1.469  -2.219  1.00 39.29 5  A 1 
ATOM 35  C CA  . ILE A 1 5  ? -22.649 -1.521  -2.749  1.00 41.32 5  A 1 
ATOM 36  C C   . ILE A 1 5  ? -22.201 -2.957  -2.505  1.00 40.70 5  A 1 
ATOM 37  O O   . ILE A 1 5  ? -21.592 -3.286  -1.491  1.00 39.41 5  A 1 
ATOM 38  C CB  . ILE A 1 5  ? -21.713 -0.475  -2.104  1.00 41.99 5  A 1 
ATOM 39  C CG1 . ILE A 1 5  ? -22.274 0.957   -2.275  1.00 38.47 5  A 1 
ATOM 40  C CG2 . ILE A 1 5  ? -20.314 -0.579  -2.736  1.00 38.28 5  A 1 
ATOM 41  C CD1 . ILE A 1 5  ? -21.470 2.031   -1.531  1.00 36.72 5  A 1 
ATOM 42  N N   . VAL A 1 6  ? -22.573 -3.826  -3.453  1.00 37.24 6  A 1 
ATOM 43  C CA  . VAL A 1 6  ? -21.978 -5.133  -3.617  1.00 40.28 6  A 1 
ATOM 44  C C   . VAL A 1 6  ? -20.513 -4.840  -3.889  1.00 40.44 6  A 1 
ATOM 45  O O   . VAL A 1 6  ? -20.089 -4.637  -5.021  1.00 39.01 6  A 1 
ATOM 46  C CB  . VAL A 1 6  ? -22.647 -5.944  -4.744  1.00 39.84 6  A 1 
ATOM 47  C CG1 . VAL A 1 6  ? -22.013 -7.332  -4.862  1.00 34.10 6  A 1 
ATOM 48  C CG2 . VAL A 1 6  ? -24.139 -6.148  -4.476  1.00 33.97 6  A 1 
ATOM 49  N N   . MET A 1 7  ? -19.756 -4.776  -2.799  1.00 38.09 7  A 1 
ATOM 50  C CA  . MET A 1 7  ? -18.333 -5.021  -2.844  1.00 39.51 7  A 1 
ATOM 51  C C   . MET A 1 7  ? -18.201 -6.436  -3.401  1.00 39.26 7  A 1 
ATOM 52  O O   . MET A 1 7  ? -18.127 -7.414  -2.664  1.00 37.64 7  A 1 
ATOM 53  C CB  . MET A 1 7  ? -17.687 -4.908  -1.453  1.00 39.54 7  A 1 
ATOM 54  C CG  . MET A 1 7  ? -17.677 -3.480  -0.904  1.00 35.89 7  A 1 
ATOM 55  S SD  . MET A 1 7  ? -16.584 -3.304  0.537   1.00 33.35 7  A 1 
ATOM 56  C CE  . MET A 1 7  ? -16.987 -1.606  1.028   1.00 32.40 7  A 1 
ATOM 57  N N   . THR A 1 8  ? -18.265 -6.542  -4.736  1.00 38.16 8  A 1 
ATOM 58  C CA  . THR A 1 8  ? -17.819 -7.727  -5.434  1.00 40.60 8  A 1 
ATOM 59  C C   . THR A 1 8  ? -16.391 -7.899  -4.973  1.00 40.94 8  A 1 
ATOM 60  O O   . THR A 1 8  ? -15.475 -7.172  -5.354  1.00 37.95 8  A 1 
ATOM 61  C CB  . THR A 1 8  ? -17.913 -7.603  -6.960  1.00 38.32 8  A 1 
ATOM 62  O OG1 . THR A 1 8  ? -17.414 -6.379  -7.415  1.00 33.76 8  A 1 
ATOM 63  C CG2 . THR A 1 8  ? -19.362 -7.707  -7.433  1.00 32.43 8  A 1 
ATOM 64  N N   . SER A 1 9  ? -16.247 -8.847  -4.068  1.00 39.73 9  A 1 
ATOM 65  C CA  . SER A 1 9  ? -14.980 -9.373  -3.622  1.00 41.72 9  A 1 
ATOM 66  C C   . SER A 1 9  ? -14.359 -10.180 -4.763  1.00 42.11 9  A 1 
ATOM 67  O O   . SER A 1 9  ? -13.993 -11.334 -4.611  1.00 39.94 9  A 1 
ATOM 68  C CB  . SER A 1 9  ? -15.163 -10.167 -2.324  1.00 39.79 9  A 1 
ATOM 69  O OG  . SER A 1 9  ? -16.162 -11.145 -2.478  1.00 35.15 9  A 1 
ATOM 70  N N   . THR A 1 10 ? -14.190 -9.559  -5.935  1.00 40.81 10 A 1 
ATOM 71  C CA  . THR A 1 10 ? -12.946 -9.711  -6.667  1.00 41.63 10 A 1 
ATOM 72  C C   . THR A 1 10 ? -11.869 -9.119  -5.768  1.00 43.14 10 A 1 
ATOM 73  O O   . THR A 1 10 ? -11.294 -8.064  -6.022  1.00 40.53 10 A 1 
ATOM 74  C CB  . THR A 1 10 ? -12.985 -9.053  -8.053  1.00 38.30 10 A 1 
ATOM 75  O OG1 . THR A 1 10 ? -13.455 -7.734  -7.975  1.00 34.05 10 A 1 
ATOM 76  C CG2 . THR A 1 10 ? -13.902 -9.816  -9.005  1.00 32.69 10 A 1 
ATOM 77  N N   . GLN A 1 11 ? -11.647 -9.811  -4.651  1.00 45.56 11 A 1 
ATOM 78  C CA  . GLN A 1 11 ? -10.434 -9.726  -3.878  1.00 46.71 11 A 1 
ATOM 79  C C   . GLN A 1 11 ? -9.322  -10.115 -4.843  1.00 49.01 11 A 1 
ATOM 80  O O   . GLN A 1 11 ? -8.881  -11.252 -4.902  1.00 47.09 11 A 1 
ATOM 81  C CB  . GLN A 1 11 ? -10.477 -10.660 -2.653  1.00 44.47 11 A 1 
ATOM 82  C CG  . GLN A 1 11 ? -11.454 -10.211 -1.555  1.00 39.98 11 A 1 
ATOM 83  C CD  . GLN A 1 11 ? -11.399 -11.104 -0.314  1.00 36.46 11 A 1 
ATOM 84  O OE1 . GLN A 1 11 ? -10.759 -12.140 -0.268  1.00 34.77 11 A 1 
ATOM 85  N NE2 . GLN A 1 11 ? -12.067 -10.739 0.754   1.00 34.14 11 A 1 
ATOM 86  N N   . CYS A 1 12 ? -8.899  -9.148  -5.669  1.00 50.82 12 A 1 
ATOM 87  C CA  . CYS A 1 12 ? -7.509  -9.128  -6.061  1.00 51.39 12 A 1 
ATOM 88  C C   . CYS A 1 12 ? -6.787  -9.286  -4.724  1.00 53.78 12 A 1 
ATOM 89  O O   . CYS A 1 12 ? -6.958  -8.384  -3.898  1.00 51.36 12 A 1 
ATOM 90  C CB  . CYS A 1 12 ? -7.197  -7.781  -6.723  1.00 48.24 12 A 1 
ATOM 91  S SG  . CYS A 1 12 ? -5.559  -7.859  -7.490  1.00 42.84 12 A 1 
ATOM 92  N N   . PRO A 1 13 ? -6.160  -10.449 -4.437  1.00 55.13 13 A 1 
ATOM 93  C CA  . PRO A 1 13 ? -5.782  -10.818 -3.082  1.00 56.32 13 A 1 
ATOM 94  C C   . PRO A 1 13 ? -4.848  -9.738  -2.547  1.00 59.26 13 A 1 
ATOM 95  O O   . PRO A 1 13 ? -3.669  -9.684  -2.896  1.00 57.92 13 A 1 
ATOM 96  C CB  . PRO A 1 13 ? -5.143  -12.211 -3.191  1.00 52.48 13 A 1 
ATOM 97  C CG  . PRO A 1 13 ? -4.756  -12.322 -4.660  1.00 51.37 13 A 1 
ATOM 98  C CD  . PRO A 1 13 ? -5.817  -11.494 -5.368  1.00 52.68 13 A 1 
ATOM 99  N N   . LEU A 1 14 ? -5.448  -8.803  -1.794  1.00 61.78 14 A 1 
ATOM 100 C CA  . LEU A 1 14 ? -4.693  -7.823  -1.064  1.00 63.72 14 A 1 
ATOM 101 C C   . LEU A 1 14 ? -4.005  -8.631  0.016   1.00 66.14 14 A 1 
ATOM 102 O O   . LEU A 1 14 ? -4.664  -9.250  0.850   1.00 64.70 14 A 1 
ATOM 103 C CB  . LEU A 1 14 ? -5.610  -6.726  -0.506  1.00 60.33 14 A 1 
ATOM 104 C CG  . LEU A 1 14 ? -6.275  -5.839  -1.575  1.00 55.78 14 A 1 
ATOM 105 C CD1 . LEU A 1 14 ? -7.262  -4.875  -0.921  1.00 52.69 14 A 1 
ATOM 106 C CD2 . LEU A 1 14 ? -5.259  -5.014  -2.367  1.00 53.26 14 A 1 
ATOM 107 N N   . LEU A 1 15 ? -2.691  -8.676  -0.042  1.00 70.16 15 A 1 
ATOM 108 C CA  . LEU A 1 15 ? -1.893  -9.416  0.932   1.00 72.09 15 A 1 
ATOM 109 C C   . LEU A 1 15 ? -2.028  -8.830  2.340   1.00 74.58 15 A 1 
ATOM 110 O O   . LEU A 1 15 ? -1.656  -9.475  3.315   1.00 71.21 15 A 1 
ATOM 111 C CB  . LEU A 1 15 ? -0.432  -9.400  0.468   1.00 68.28 15 A 1 
ATOM 112 C CG  . LEU A 1 15 ? -0.162  -10.247 -0.787  1.00 63.49 15 A 1 
ATOM 113 C CD1 . LEU A 1 15 ? 1.245   -9.967  -1.302  1.00 59.67 15 A 1 
ATOM 114 C CD2 . LEU A 1 15 ? -0.270  -11.741 -0.496  1.00 59.02 15 A 1 
ATOM 115 N N   . ASN A 1 16 ? -2.584  -7.621  2.427   1.00 75.87 16 A 1 
ATOM 116 C CA  . ASN A 1 16 ? -2.817  -6.910  3.665   1.00 77.31 16 A 1 
ATOM 117 C C   . ASN A 1 16 ? -4.126  -6.122  3.602   1.00 78.65 16 A 1 
ATOM 118 O O   . ASN A 1 16 ? -4.448  -5.489  2.600   1.00 77.29 16 A 1 
ATOM 119 C CB  . ASN A 1 16 ? -1.610  -6.006  3.961   1.00 74.48 16 A 1 
ATOM 120 C CG  . ASN A 1 16 ? -1.298  -4.981  2.885   1.00 72.05 16 A 1 
ATOM 121 O OD1 . ASN A 1 16 ? -1.225  -5.262  1.703   1.00 65.18 16 A 1 
ATOM 122 N ND2 . ASN A 1 16 ? -1.063  -3.754  3.279   1.00 68.23 16 A 1 
ATOM 123 N N   . MET A 1 17 ? -4.865  -6.125  4.716   1.00 81.27 17 A 1 
ATOM 124 C CA  . MET A 1 17 ? -6.060  -5.288  4.913   1.00 82.27 17 A 1 
ATOM 125 C C   . MET A 1 17 ? -5.714  -3.944  5.556   1.00 85.56 17 A 1 
ATOM 126 O O   . MET A 1 17 ? -6.503  -3.004  5.502   1.00 84.48 17 A 1 
ATOM 127 C CB  . MET A 1 17 ? -7.071  -6.043  5.778   1.00 78.54 17 A 1 
ATOM 128 C CG  . MET A 1 17 ? -7.620  -7.290  5.072   1.00 70.81 17 A 1 
ATOM 129 S SD  . MET A 1 17 ? -8.762  -8.269  6.084   1.00 63.64 17 A 1 
ATOM 130 C CE  . MET A 1 17 ? -10.123 -7.097  6.303   1.00 56.04 17 A 1 
ATOM 131 N N   . THR A 1 18 ? -4.540  -3.842  6.152   1.00 83.46 18 A 1 
ATOM 132 C CA  . THR A 1 18 ? -4.022  -2.648  6.817   1.00 84.64 18 A 1 
ATOM 133 C C   . THR A 1 18 ? -2.650  -2.288  6.261   1.00 84.63 18 A 1 
ATOM 134 O O   . THR A 1 18 ? -1.898  -3.162  5.826   1.00 82.49 18 A 1 
ATOM 135 C CB  . THR A 1 18 ? -3.935  -2.845  8.339   1.00 84.60 18 A 1 
ATOM 136 O OG1 . THR A 1 18 ? -3.158  -3.977  8.647   1.00 77.40 18 A 1 
ATOM 137 C CG2 . THR A 1 18 ? -5.303  -3.059  8.980   1.00 76.03 18 A 1 
ATOM 138 N N   . CYS A 1 19 ? -2.319  -1.002  6.262   1.00 84.98 19 A 1 
ATOM 139 C CA  . CYS A 1 19 ? -0.977  -0.569  5.892   1.00 84.47 19 A 1 
ATOM 140 C C   . CYS A 1 19 ? 0.029   -1.047  6.953   1.00 84.50 19 A 1 
ATOM 141 O O   . CYS A 1 19 ? -0.097  -0.642  8.107   1.00 83.33 19 A 1 
ATOM 142 C CB  . CYS A 1 19 ? -0.975  0.955   5.746   1.00 83.48 19 A 1 
ATOM 143 S SG  . CYS A 1 19 ? 0.704   1.539   5.371   1.00 79.87 19 A 1 
ATOM 144 N N   . PRO A 1 20 ? 1.054   -1.838  6.584   1.00 84.73 20 A 1 
ATOM 145 C CA  . PRO A 1 20 ? 2.034   -2.339  7.550   1.00 83.34 20 A 1 
ATOM 146 C C   . PRO A 1 20 ? 2.855   -1.249  8.244   1.00 84.19 20 A 1 
ATOM 147 O O   . PRO A 1 20 ? 3.421   -1.489  9.301   1.00 81.87 20 A 1 
ATOM 148 C CB  . PRO A 1 20 ? 2.955   -3.258  6.744   1.00 80.99 20 A 1 
ATOM 149 C CG  . PRO A 1 20 ? 2.113   -3.660  5.544   1.00 78.49 20 A 1 
ATOM 150 C CD  . PRO A 1 20 ? 1.270   -2.425  5.281   1.00 81.36 20 A 1 
ATOM 151 N N   . LEU A 1 21 ? 2.931   -0.057  7.645   1.00 83.62 21 A 1 
ATOM 152 C CA  . LEU A 1 21 ? 3.711   1.065   8.171   1.00 83.91 21 A 1 
ATOM 153 C C   . LEU A 1 21 ? 2.867   2.009   9.033   1.00 84.91 21 A 1 
ATOM 154 O O   . LEU A 1 21 ? 3.339   2.448   10.077  1.00 82.86 21 A 1 
ATOM 155 C CB  . LEU A 1 21 ? 4.351   1.832   7.006   1.00 81.98 21 A 1 
ATOM 156 C CG  . LEU A 1 21 ? 5.385   1.039   6.189   1.00 79.58 21 A 1 
ATOM 157 C CD1 . LEU A 1 21 ? 5.865   1.899   5.022   1.00 76.87 21 A 1 
ATOM 158 C CD2 . LEU A 1 21 ? 6.600   0.638   7.022   1.00 76.26 21 A 1 
ATOM 159 N N   . SER A 1 22 ? 1.639   2.342   8.604   1.00 86.39 22 A 1 
ATOM 160 C CA  . SER A 1 22 ? 0.759   3.250   9.355   1.00 87.40 22 A 1 
ATOM 161 C C   . SER A 1 22 ? -0.236  2.534   10.267  1.00 88.27 22 A 1 
ATOM 162 O O   . SER A 1 22 ? -0.830  3.167   11.134  1.00 86.16 22 A 1 
ATOM 163 C CB  . SER A 1 22 ? 0.025   4.207   8.411   1.00 86.19 22 A 1 
ATOM 164 O OG  . SER A 1 22 ? -0.877  3.533   7.558   1.00 81.32 22 A 1 
ATOM 165 N N   . GLY A 1 23 ? -0.458  1.241   10.052  1.00 87.69 23 A 1 
ATOM 166 C CA  . GLY A 1 23 ? -1.455  0.439   10.769  1.00 88.54 23 A 1 
ATOM 167 C C   . GLY A 1 23 ? -2.907  0.737   10.389  1.00 90.46 23 A 1 
ATOM 168 O O   . GLY A 1 23 ? -3.808  0.022   10.830  1.00 88.18 23 A 1 
ATOM 169 N N   . LYS A 1 24 ? -3.161  1.752   9.557   1.00 87.95 24 A 1 
ATOM 170 C CA  . LYS A 1 24 ? -4.510  2.128   9.125   1.00 88.36 24 A 1 
ATOM 171 C C   . LYS A 1 24 ? -5.096  1.082   8.170   1.00 88.55 24 A 1 
ATOM 172 O O   . LYS A 1 24 ? -4.359  0.536   7.347   1.00 87.50 24 A 1 
ATOM 173 C CB  . LYS A 1 24 ? -4.501  3.493   8.440   1.00 87.08 24 A 1 
ATOM 174 C CG  . LYS A 1 24 ? -4.109  4.657   9.357   1.00 83.46 24 A 1 
ATOM 175 C CD  . LYS A 1 24 ? -4.104  5.931   8.506   1.00 81.49 24 A 1 
ATOM 176 C CE  . LYS A 1 24 ? -3.561  7.156   9.233   1.00 76.18 24 A 1 
ATOM 177 N NZ  . LYS A 1 24 ? -3.290  8.229   8.241   1.00 68.41 24 A 1 
ATOM 178 N N   . PRO A 1 25 ? -6.425  0.851   8.206   1.00 89.15 25 A 1 
ATOM 179 C CA  . PRO A 1 25 ? -7.118  0.068   7.189   1.00 88.52 25 A 1 
ATOM 180 C C   . PRO A 1 25 ? -6.884  0.643   5.790   1.00 87.41 25 A 1 
ATOM 181 O O   . PRO A 1 25 ? -6.878  1.855   5.602   1.00 85.38 25 A 1 
ATOM 182 C CB  . PRO A 1 25 ? -8.602  0.114   7.565   1.00 87.78 25 A 1 
ATOM 183 C CG  . PRO A 1 25 ? -8.612  0.491   9.036   1.00 85.53 25 A 1 
ATOM 184 C CD  . PRO A 1 25 ? -7.369  1.360   9.183   1.00 88.54 25 A 1 
ATOM 185 N N   . VAL A 1 26 ? -6.748  -0.220  4.779   1.00 86.30 26 A 1 
ATOM 186 C CA  . VAL A 1 26 ? -6.549  0.198   3.380   1.00 84.20 26 A 1 
ATOM 187 C C   . VAL A 1 26 ? -7.698  1.079   2.878   1.00 83.76 26 A 1 
ATOM 188 O O   . VAL A 1 26 ? -7.471  1.970   2.070   1.00 81.29 26 A 1 
ATOM 189 C CB  . VAL A 1 26 ? -6.360  -1.036  2.479   1.00 82.07 26 A 1 
ATOM 190 C CG1 . VAL A 1 26 ? -6.373  -0.716  0.984   1.00 74.42 26 A 1 
ATOM 191 C CG2 . VAL A 1 26 ? -5.026  -1.716  2.797   1.00 75.79 26 A 1 
ATOM 192 N N   . THR A 1 27 ? -8.915  0.872   3.393   1.00 85.17 27 A 1 
ATOM 193 C CA  . THR A 1 27 ? -10.112 1.661   3.073   1.00 84.45 27 A 1 
ATOM 194 C C   . THR A 1 27 ? -10.070 3.095   3.612   1.00 85.27 27 A 1 
ATOM 195 O O   . THR A 1 27 ? -10.797 3.943   3.113   1.00 83.57 27 A 1 
ATOM 196 C CB  . THR A 1 27 ? -11.352 0.965   3.642   1.00 82.18 27 A 1 
ATOM 197 O OG1 . THR A 1 27 ? -11.159 0.663   5.004   1.00 74.75 27 A 1 
ATOM 198 C CG2 . THR A 1 27 ? -11.630 -0.356  2.923   1.00 72.23 27 A 1 
ATOM 199 N N   . GLU A 1 28 ? -9.240  3.371   4.607   1.00 83.92 28 A 1 
ATOM 200 C CA  . GLU A 1 28 ? -9.096  4.686   5.246   1.00 84.61 28 A 1 
ATOM 201 C C   . GLU A 1 28 ? -7.841  5.435   4.774   1.00 84.56 28 A 1 
ATOM 202 O O   . GLU A 1 28 ? -7.543  6.532   5.252   1.00 82.75 28 A 1 
ATOM 203 C CB  . GLU A 1 28 ? -9.074  4.527   6.770   1.00 83.95 28 A 1 
ATOM 204 C CG  . GLU A 1 28 ? -10.397 3.995   7.334   1.00 78.39 28 A 1 
ATOM 205 C CD  . GLU A 1 28 ? -10.363 3.812   8.861   1.00 74.87 28 A 1 
ATOM 206 O OE1 . GLU A 1 28 ? -11.272 3.128   9.375   1.00 68.94 28 A 1 
ATOM 207 O OE2 . GLU A 1 28 ? -9.412  4.313   9.511   1.00 71.14 28 A 1 
ATOM 208 N N   . LEU A 1 29 ? -7.081  4.858   3.845   1.00 85.56 29 A 1 
ATOM 209 C CA  . LEU A 1 29 ? -5.895  5.500   3.302   1.00 84.46 29 A 1 
ATOM 210 C C   . LEU A 1 29 ? -6.302  6.612   2.333   1.00 83.89 29 A 1 
ATOM 211 O O   . LEU A 1 29 ? -7.055  6.376   1.393   1.00 82.10 29 A 1 
ATOM 212 C CB  . LEU A 1 29 ? -4.975  4.476   2.623   1.00 83.62 29 A 1 
ATOM 213 C CG  . LEU A 1 29 ? -4.487  3.336   3.531   1.00 81.91 29 A 1 
ATOM 214 C CD1 . LEU A 1 29 ? -3.533  2.434   2.753   1.00 79.27 29 A 1 
ATOM 215 C CD2 . LEU A 1 29 ? -3.765  3.833   4.780   1.00 79.20 29 A 1 
ATOM 216 N N   . ALA A 1 30 ? -5.757  7.813   2.530   1.00 85.86 30 A 1 
ATOM 217 C CA  . ALA A 1 30 ? -5.997  8.947   1.641   1.00 84.25 30 A 1 
ATOM 218 C C   . ALA A 1 30 ? -5.423  8.709   0.232   1.00 84.08 30 A 1 
ATOM 219 O O   . ALA A 1 30 ? -6.085  8.979   -0.767  1.00 80.34 30 A 1 
ATOM 220 C CB  . ALA A 1 30 ? -5.389  10.193  2.290   1.00 82.24 30 A 1 
ATOM 221 N N   . ASP A 1 31 ? -4.212  8.164   0.159   1.00 85.10 31 A 1 
ATOM 222 C CA  . ASP A 1 31 ? -3.499  7.863   -1.083  1.00 84.81 31 A 1 
ATOM 223 C C   . ASP A 1 31 ? -2.935  6.433   -1.030  1.00 85.54 31 A 1 
ATOM 224 O O   . ASP A 1 31 ? -1.746  6.242   -0.728  1.00 83.20 31 A 1 
ATOM 225 C CB  . ASP A 1 31 ? -2.375  8.884   -1.288  1.00 81.72 31 A 1 
ATOM 226 C CG  . ASP A 1 31 ? -2.836  10.255  -1.751  1.00 74.22 31 A 1 
ATOM 227 O OD1 . ASP A 1 31 ? -2.946  10.414  -2.993  1.00 68.54 31 A 1 
ATOM 228 O OD2 . ASP A 1 31 ? -2.905  11.161  -0.893  1.00 68.93 31 A 1 
ATOM 229 N N   . PRO A 1 32 ? -3.761  5.403   -1.298  1.00 85.18 32 A 1 
ATOM 230 C CA  . PRO A 1 32 ? -3.282  4.032   -1.306  1.00 83.98 32 A 1 
ATOM 231 C C   . PRO A 1 32 ? -2.398  3.767   -2.527  1.00 83.70 32 A 1 
ATOM 232 O O   . PRO A 1 32 ? -2.792  3.985   -3.677  1.00 81.93 32 A 1 
ATOM 233 C CB  . PRO A 1 32 ? -4.537  3.164   -1.279  1.00 82.48 32 A 1 
ATOM 234 C CG  . PRO A 1 32 ? -5.587  4.039   -1.953  1.00 80.21 32 A 1 
ATOM 235 C CD  . PRO A 1 32 ? -5.180  5.454   -1.554  1.00 83.15 32 A 1 
ATOM 236 N N   . VAL A 1 33 ? -1.213  3.237   -2.288  1.00 83.55 33 A 1 
ATOM 237 C CA  . VAL A 1 33 ? -0.281  2.789   -3.324  1.00 82.43 33 A 1 
ATOM 238 C C   . VAL A 1 33 ? 0.051   1.318   -3.137  1.00 82.56 33 A 1 
ATOM 239 O O   . VAL A 1 33 ? 0.223   0.843   -2.020  1.00 81.62 33 A 1 
ATOM 240 C CB  . VAL A 1 33 ? 0.999   3.643   -3.386  1.00 80.95 33 A 1 
ATOM 241 C CG1 . VAL A 1 33 ? 0.680   5.082   -3.799  1.00 74.87 33 A 1 
ATOM 242 C CG2 . VAL A 1 33 ? 1.779   3.666   -2.072  1.00 75.11 33 A 1 
ATOM 243 N N   . ARG A 1 34 ? 0.146   0.585   -4.252  1.00 79.79 34 A 1 
ATOM 244 C CA  . ARG A 1 34 ? 0.475   -0.837  -4.250  1.00 78.59 34 A 1 
ATOM 245 C C   . ARG A 1 34 ? 1.876   -1.048  -4.801  1.00 77.76 34 A 1 
ATOM 246 O O   . ARG A 1 34 ? 2.178   -0.595  -5.903  1.00 75.48 34 A 1 
ATOM 247 C CB  . ARG A 1 34 ? -0.598  -1.593  -5.034  1.00 77.17 34 A 1 
ATOM 248 C CG  . ARG A 1 34 ? -0.424  -3.110  -4.926  1.00 70.79 34 A 1 
ATOM 249 C CD  . ARG A 1 34 ? -1.574  -3.810  -5.639  1.00 67.91 34 A 1 
ATOM 250 N NE  . ARG A 1 34 ? -1.472  -5.274  -5.512  1.00 65.17 34 A 1 
ATOM 251 C CZ  . ARG A 1 34 ? -2.350  -6.154  -5.962  1.00 60.47 34 A 1 
ATOM 252 N NH1 . ARG A 1 34 ? -3.413  -5.791  -6.621  1.00 57.80 34 A 1 
ATOM 253 N NH2 . ARG A 1 34 ? -2.170  -7.419  -5.744  1.00 55.57 34 A 1 
ATOM 254 N N   . SER A 1 35 ? 2.686   -1.789  -4.061  1.00 76.93 35 A 1 
ATOM 255 C CA  . SER A 1 35 ? 3.979   -2.252  -4.557  1.00 74.68 35 A 1 
ATOM 256 C C   . SER A 1 35 ? 3.784   -3.328  -5.627  1.00 74.39 35 A 1 
ATOM 257 O O   . SER A 1 35 ? 3.014   -4.272  -5.438  1.00 73.05 35 A 1 
ATOM 258 C CB  . SER A 1 35 ? 4.842   -2.770  -3.410  1.00 72.83 35 A 1 
ATOM 259 O OG  . SER A 1 35 ? 5.990   -3.424  -3.915  1.00 65.00 35 A 1 
ATOM 260 N N   . MET A 1 36 ? 4.481   -3.200  -6.743  1.00 70.41 36 A 1 
ATOM 261 C CA  . MET A 1 36 ? 4.448   -4.181  -7.832  1.00 69.11 36 A 1 
ATOM 262 C C   . MET A 1 36 ? 5.109   -5.502  -7.435  1.00 69.28 36 A 1 
ATOM 263 O O   . MET A 1 36 ? 4.629   -6.566  -7.834  1.00 66.10 36 A 1 
ATOM 264 C CB  . MET A 1 36 ? 5.135   -3.585  -9.064  1.00 66.74 36 A 1 
ATOM 265 C CG  . MET A 1 36 ? 4.340   -2.415  -9.670  1.00 60.83 36 A 1 
ATOM 266 S SD  . MET A 1 36 ? 2.717   -2.830  -10.379 1.00 56.17 36 A 1 
ATOM 267 C CE  . MET A 1 36 ? 3.218   -3.889  -11.756 1.00 51.23 36 A 1 
ATOM 268 N N   . ASP A 1 37 ? 6.156   -5.453  -6.627  1.00 68.25 37 A 1 
ATOM 269 C CA  . ASP A 1 37 ? 6.967   -6.625  -6.283  1.00 67.74 37 A 1 
ATOM 270 C C   . ASP A 1 37 ? 6.323   -7.480  -5.193  1.00 68.67 37 A 1 
ATOM 271 O O   . ASP A 1 37 ? 6.124   -8.685  -5.355  1.00 64.86 37 A 1 
ATOM 272 C CB  . ASP A 1 37 ? 8.358   -6.159  -5.838  1.00 64.57 37 A 1 
ATOM 273 C CG  . ASP A 1 37 ? 9.017   -5.367  -6.957  1.00 59.06 37 A 1 
ATOM 274 O OD1 . ASP A 1 37 ? 9.540   -6.028  -7.880  1.00 54.69 37 A 1 
ATOM 275 O OD2 . ASP A 1 37 ? 8.878   -4.132  -6.911  1.00 54.07 37 A 1 
ATOM 276 N N   . CYS A 1 38 ? 5.945   -6.850  -4.078  1.00 71.69 38 A 1 
ATOM 277 C CA  . CYS A 1 38 ? 5.362   -7.567  -2.946  1.00 71.80 38 A 1 
ATOM 278 C C   . CYS A 1 38 ? 3.829   -7.547  -2.925  1.00 72.73 38 A 1 
ATOM 279 O O   . CYS A 1 38 ? 3.222   -8.294  -2.164  1.00 70.56 38 A 1 
ATOM 280 C CB  . CYS A 1 38 ? 5.972   -7.032  -1.645  1.00 69.64 38 A 1 
ATOM 281 S SG  . CYS A 1 38 ? 5.407   -5.335  -1.310  1.00 66.06 38 A 1 
ATOM 282 N N   . ARG A 1 39 ? 3.194   -6.724  -3.771  1.00 76.52 39 A 1 
ATOM 283 C CA  . ARG A 1 39 ? 1.728   -6.555  -3.868  1.00 76.62 39 A 1 
ATOM 284 C C   . ARG A 1 39 ? 1.040   -6.044  -2.594  1.00 78.54 39 A 1 
ATOM 285 O O   . ARG A 1 39 ? -0.189  -6.024  -2.553  1.00 76.90 39 A 1 
ATOM 286 C CB  . ARG A 1 39 ? 1.064   -7.824  -4.427  1.00 73.80 39 A 1 
ATOM 287 C CG  . ARG A 1 39 ? 1.613   -8.219  -5.810  1.00 67.81 39 A 1 
ATOM 288 C CD  . ARG A 1 39 ? 0.881   -9.450  -6.355  1.00 63.50 39 A 1 
ATOM 289 N NE  . ARG A 1 39 ? 1.297   -10.683 -5.666  1.00 59.99 39 A 1 
ATOM 290 C CZ  . ARG A 1 39 ? 0.871   -11.908 -5.936  1.00 52.85 39 A 1 
ATOM 291 N NH1 . ARG A 1 39 ? -0.025  -12.131 -6.860  1.00 50.45 39 A 1 
ATOM 292 N NH2 . ARG A 1 39 ? 1.352   -12.930 -5.283  1.00 46.78 39 A 1 
ATOM 293 N N   . HIS A 1 40 ? 1.796   -5.589  -1.598  1.00 79.90 40 A 1 
ATOM 294 C CA  . HIS A 1 40 ? 1.247   -4.930  -0.417  1.00 81.03 40 A 1 
ATOM 295 C C   . HIS A 1 40 ? 0.777   -3.511  -0.745  1.00 82.06 40 A 1 
ATOM 296 O O   . HIS A 1 40 ? 1.310   -2.851  -1.636  1.00 81.58 40 A 1 
ATOM 297 C CB  . HIS A 1 40 ? 2.278   -4.920  0.711   1.00 80.68 40 A 1 
ATOM 298 C CG  . HIS A 1 40 ? 2.574   -6.299  1.228   1.00 79.15 40 A 1 
ATOM 299 N ND1 . HIS A 1 40 ? 3.704   -7.033  0.973   1.00 72.52 40 A 1 
ATOM 300 C CD2 . HIS A 1 40 ? 1.761   -7.079  1.995   1.00 73.05 40 A 1 
ATOM 301 C CE1 . HIS A 1 40 ? 3.571   -8.228  1.574   1.00 73.19 40 A 1 
ATOM 302 N NE2 . HIS A 1 40 ? 2.403   -8.301  2.206   1.00 74.38 40 A 1 
ATOM 303 N N   . VAL A 1 41 ? -0.239  -3.044  -0.009  1.00 82.53 41 A 1 
ATOM 304 C CA  . VAL A 1 41 ? -0.778  -1.688  -0.101  1.00 83.32 41 A 1 
ATOM 305 C C   . VAL A 1 41 ? -0.241  -0.858  1.059   1.00 84.34 41 A 1 
ATOM 306 O O   . VAL A 1 41 ? -0.233  -1.312  2.200   1.00 83.99 41 A 1 
ATOM 307 C CB  . VAL A 1 41 ? -2.317  -1.688  -0.138  1.00 82.27 41 A 1 
ATOM 308 C CG1 . VAL A 1 41 ? -2.875  -0.272  -0.299  1.00 77.82 41 A 1 
ATOM 309 C CG2 . VAL A 1 41 ? -2.841  -2.532  -1.305  1.00 77.97 41 A 1 
ATOM 310 N N   . TYR A 1 42 ? 0.200   0.344   0.750   1.00 83.70 42 A 1 
ATOM 311 C CA  . TYR A 1 42 ? 0.767   1.304   1.687   1.00 84.43 42 A 1 
ATOM 312 C C   . TYR A 1 42 ? 0.109   2.670   1.506   1.00 85.32 42 A 1 
ATOM 313 O O   . TYR A 1 42 ? -0.397  2.987   0.431   1.00 84.83 42 A 1 
ATOM 314 C CB  . TYR A 1 42 ? 2.274   1.417   1.453   1.00 83.83 42 A 1 
ATOM 315 C CG  . TYR A 1 42 ? 3.027   0.116   1.625   1.00 83.73 42 A 1 
ATOM 316 C CD1 . TYR A 1 42 ? 3.417   -0.304  2.905   1.00 81.23 42 A 1 
ATOM 317 C CD2 . TYR A 1 42 ? 3.327   -0.682  0.501   1.00 81.18 42 A 1 
ATOM 318 C CE1 . TYR A 1 42 ? 4.106   -1.514  3.071   1.00 79.47 42 A 1 
ATOM 319 C CE2 . TYR A 1 42 ? 4.015   -1.896  0.664   1.00 79.57 42 A 1 
ATOM 320 C CZ  . TYR A 1 42 ? 4.407   -2.307  1.949   1.00 80.05 42 A 1 
ATOM 321 O OH  . TYR A 1 42 ? 5.083   -3.481  2.110   1.00 77.96 42 A 1 
ATOM 322 N N   . GLU A 1 43 ? 0.152   3.499   2.544   1.00 84.64 43 A 1 
ATOM 323 C CA  . GLU A 1 43 ? -0.163  4.918   2.418   1.00 85.09 43 A 1 
ATOM 324 C C   . GLU A 1 43 ? 1.015   5.630   1.736   1.00 84.84 43 A 1 
ATOM 325 O O   . GLU A 1 43 ? 2.167   5.475   2.140   1.00 83.79 43 A 1 
ATOM 326 C CB  . GLU A 1 43 ? -0.487  5.485   3.809   1.00 84.93 43 A 1 
ATOM 327 C CG  . GLU A 1 43 ? -1.007  6.930   3.784   1.00 82.72 43 A 1 
ATOM 328 C CD  . GLU A 1 43 ? -1.541  7.381   5.164   1.00 79.75 43 A 1 
ATOM 329 O OE1 . GLU A 1 43 ? -2.500  8.169   5.227   1.00 73.44 43 A 1 
ATOM 330 O OE2 . GLU A 1 43 ? -1.029  6.929   6.213   1.00 74.15 43 A 1 
ATOM 331 N N   . LYS A 1 44 ? 0.725   6.409   0.683   1.00 84.95 44 A 1 
ATOM 332 C CA  . LYS A 1 44 ? 1.745   7.062   -0.153  1.00 84.10 44 A 1 
ATOM 333 C C   . LYS A 1 44 ? 2.698   7.939   0.654   1.00 83.68 44 A 1 
ATOM 334 O O   . LYS A 1 44 ? 3.909   7.855   0.461   1.00 82.79 44 A 1 
ATOM 335 C CB  . LYS A 1 44 ? 1.030   7.877   -1.232  1.00 82.51 44 A 1 
ATOM 336 C CG  . LYS A 1 44 ? 1.978   8.557   -2.229  1.00 79.85 44 A 1 
ATOM 337 C CD  . LYS A 1 44 ? 1.117   9.335   -3.226  1.00 77.02 44 A 1 
ATOM 338 C CE  . LYS A 1 44 ? 1.935   10.155  -4.216  1.00 71.14 44 A 1 
ATOM 339 N NZ  . LYS A 1 44 ? 1.017   11.017  -4.998  1.00 65.23 44 A 1 
ATOM 340 N N   . SER A 1 45 ? 2.167   8.756   1.557   1.00 87.50 45 A 1 
ATOM 341 C CA  . SER A 1 45 ? 2.982   9.630   2.404   1.00 86.99 45 A 1 
ATOM 342 C C   . SER A 1 45 ? 3.962   8.835   3.275   1.00 86.62 45 A 1 
ATOM 343 O O   . SER A 1 45 ? 5.144   9.176   3.362   1.00 85.02 45 A 1 
ATOM 344 C CB  . SER A 1 45 ? 2.041   10.463  3.290   1.00 86.48 45 A 1 
ATOM 345 O OG  . SER A 1 45 ? 1.220   9.592   4.043   1.00 78.15 45 A 1 
ATOM 346 N N   . VAL A 1 46 ? 3.483   7.737   3.862   1.00 86.47 46 A 1 
ATOM 347 C CA  . VAL A 1 46 ? 4.251   6.902   4.791   1.00 85.54 46 A 1 
ATOM 348 C C   . VAL A 1 46 ? 5.323   6.101   4.053   1.00 84.62 46 A 1 
ATOM 349 O O   . VAL A 1 46 ? 6.475   6.085   4.487   1.00 83.18 46 A 1 
ATOM 350 C CB  . VAL A 1 46 ? 3.317   5.974   5.587   1.00 85.87 46 A 1 
ATOM 351 C CG1 . VAL A 1 46 ? 4.093   5.152   6.617   1.00 80.59 46 A 1 
ATOM 352 C CG2 . VAL A 1 46 ? 2.261   6.772   6.354   1.00 80.98 46 A 1 
ATOM 353 N N   . ILE A 1 47 ? 4.986   5.486   2.908   1.00 83.68 47 A 1 
ATOM 354 C CA  . ILE A 1 47 ? 5.970   4.717   2.133   1.00 82.16 47 A 1 
ATOM 355 C C   . ILE A 1 47 ? 7.037   5.626   1.516   1.00 81.74 47 A 1 
ATOM 356 O O   . ILE A 1 47 ? 8.205   5.256   1.511   1.00 80.85 47 A 1 
ATOM 357 C CB  . ILE A 1 47 ? 5.290   3.801   1.092   1.00 80.49 47 A 1 
ATOM 358 C CG1 . ILE A 1 47 ? 6.253   2.765   0.469   1.00 75.44 47 A 1 
ATOM 359 C CG2 . ILE A 1 47 ? 4.630   4.592   -0.052  1.00 74.72 47 A 1 
ATOM 360 C CD1 . ILE A 1 47 ? 6.869   1.794   1.472   1.00 71.18 47 A 1 
ATOM 361 N N   . LEU A 1 48 ? 6.680   6.832   1.072   1.00 81.00 48 A 1 
ATOM 362 C CA  . LEU A 1 48 ? 7.658   7.802   0.578   1.00 81.06 48 A 1 
ATOM 363 C C   . LEU A 1 48 ? 8.631   8.217   1.684   1.00 82.21 48 A 1 
ATOM 364 O O   . LEU A 1 48 ? 9.838   8.196   1.467   1.00 82.07 48 A 1 
ATOM 365 C CB  . LEU A 1 48 ? 6.943   9.028   -0.008  1.00 80.01 48 A 1 
ATOM 366 C CG  . LEU A 1 48 ? 6.282   8.791   -1.376  1.00 75.01 48 A 1 
ATOM 367 C CD1 . LEU A 1 48 ? 5.489   10.038  -1.772  1.00 70.93 48 A 1 
ATOM 368 C CD2 . LEU A 1 48 ? 7.299   8.504   -2.480  1.00 71.02 48 A 1 
ATOM 369 N N   . HIS A 1 49 ? 8.125   8.523   2.882   1.00 83.28 49 A 1 
ATOM 370 C CA  . HIS A 1 49 ? 8.992   8.806   4.029   1.00 83.83 49 A 1 
ATOM 371 C C   . HIS A 1 49 ? 9.887   7.613   4.375   1.00 83.86 49 A 1 
ATOM 372 O O   . HIS A 1 49 ? 11.069  7.796   4.666   1.00 83.28 49 A 1 
ATOM 373 C CB  . HIS A 1 49 ? 8.141   9.197   5.246   1.00 84.00 49 A 1 
ATOM 374 C CG  . HIS A 1 49 ? 7.686   10.632  5.269   1.00 80.97 49 A 1 
ATOM 375 N ND1 . HIS A 1 49 ? 7.060   11.241  6.346   1.00 71.39 49 A 1 
ATOM 376 C CD2 . HIS A 1 49 ? 7.843   11.611  4.319   1.00 71.79 49 A 1 
ATOM 377 C CE1 . HIS A 1 49 ? 6.850   12.526  6.042   1.00 71.58 49 A 1 
ATOM 378 N NE2 . HIS A 1 49 ? 7.313   12.795  4.820   1.00 73.69 49 A 1 
ATOM 379 N N   . TYR A 1 50 ? 9.358   6.387   4.309   1.00 81.33 50 A 1 
ATOM 380 C CA  . TYR A 1 50 ? 10.136  5.177   4.564   1.00 80.71 50 A 1 
ATOM 381 C C   . TYR A 1 50 ? 11.277  5.003   3.553   1.00 80.80 50 A 1 
ATOM 382 O O   . TYR A 1 50 ? 12.412  4.776   3.961   1.00 79.83 50 A 1 
ATOM 383 C CB  . TYR A 1 50 ? 9.199   3.969   4.573   1.00 80.27 50 A 1 
ATOM 384 C CG  . TYR A 1 50 ? 9.919   2.670   4.845   1.00 78.91 50 A 1 
ATOM 385 C CD1 . TYR A 1 50 ? 10.324  1.847   3.779   1.00 76.99 50 A 1 
ATOM 386 C CD2 . TYR A 1 50 ? 10.220  2.295   6.171   1.00 76.61 50 A 1 
ATOM 387 C CE1 . TYR A 1 50 ? 11.021  0.658   4.034   1.00 75.01 50 A 1 
ATOM 388 C CE2 . TYR A 1 50 ? 10.916  1.106   6.431   1.00 74.99 50 A 1 
ATOM 389 C CZ  . TYR A 1 50 ? 11.316  0.290   5.360   1.00 74.89 50 A 1 
ATOM 390 O OH  . TYR A 1 50 ? 12.001  -0.870  5.610   1.00 73.60 50 A 1 
ATOM 391 N N   . ILE A 1 51 ? 11.002  5.178   2.249   1.00 79.11 51 A 1 
ATOM 392 C CA  . ILE A 1 51 ? 12.011  5.061   1.184   1.00 78.48 51 A 1 
ATOM 393 C C   . ILE A 1 51 ? 13.078  6.156   1.310   1.00 79.99 51 A 1 
ATOM 394 O O   . ILE A 1 51 ? 14.263  5.874   1.171   1.00 79.55 51 A 1 
ATOM 395 C CB  . ILE A 1 51 ? 11.335  5.093   -0.203  1.00 76.10 51 A 1 
ATOM 396 C CG1 . ILE A 1 51 ? 10.455  3.839   -0.415  1.00 69.23 51 A 1 
ATOM 397 C CG2 . ILE A 1 51 ? 12.379  5.183   -1.336  1.00 66.76 51 A 1 
ATOM 398 C CD1 . ILE A 1 51 ? 9.473   3.985   -1.584  1.00 64.47 51 A 1 
ATOM 399 N N   . VAL A 1 52 ? 12.673  7.395   1.601   1.00 78.53 52 A 1 
ATOM 400 C CA  . VAL A 1 52 ? 13.618  8.512   1.786   1.00 79.67 52 A 1 
ATOM 401 C C   . VAL A 1 52 ? 14.568  8.254   2.957   1.00 80.74 52 A 1 
ATOM 402 O O   . VAL A 1 52 ? 15.763  8.526   2.850   1.00 80.65 52 A 1 
ATOM 403 C CB  . VAL A 1 52 ? 12.858  9.841   1.968   1.00 79.73 52 A 1 
ATOM 404 C CG1 . VAL A 1 52 ? 13.763  10.996  2.419   1.00 73.96 52 A 1 
ATOM 405 C CG2 . VAL A 1 52 ? 12.214  10.273  0.644   1.00 74.67 52 A 1 
ATOM 406 N N   . ASN A 1 53 ? 14.047  7.705   4.057   1.00 82.42 53 A 1 
ATOM 407 C CA  . ASN A 1 53 ? 14.866  7.390   5.231   1.00 82.04 53 A 1 
ATOM 408 C C   . ASN A 1 53 ? 15.661  6.083   5.073   1.00 80.80 53 A 1 
ATOM 409 O O   . ASN A 1 53 ? 16.671  5.894   5.751   1.00 79.22 53 A 1 
ATOM 410 C CB  . ASN A 1 53 ? 13.963  7.350   6.471   1.00 82.43 53 A 1 
ATOM 411 C CG  . ASN A 1 53 ? 13.502  8.743   6.884   1.00 79.49 53 A 1 
ATOM 412 O OD1 . ASN A 1 53 ? 14.284  9.610   7.239   1.00 72.32 53 A 1 
ATOM 413 N ND2 . ASN A 1 53 ? 12.218  9.007   6.860   1.00 72.34 53 A 1 
ATOM 414 N N   . ASN A 1 54 ? 15.223  5.190   4.185   1.00 81.21 54 A 1 
ATOM 415 C CA  . ASN A 1 54 ? 15.827  3.877   3.971   1.00 77.85 54 A 1 
ATOM 416 C C   . ASN A 1 54 ? 16.003  3.604   2.465   1.00 76.20 54 A 1 
ATOM 417 O O   . ASN A 1 54 ? 15.298  2.758   1.910   1.00 72.78 54 A 1 
ATOM 418 C CB  . ASN A 1 54 ? 14.971  2.798   4.657   1.00 76.30 54 A 1 
ATOM 419 C CG  . ASN A 1 54 ? 14.782  3.021   6.143   1.00 71.48 54 A 1 
ATOM 420 O OD1 . ASN A 1 54 ? 15.573  2.592   6.964   1.00 66.10 54 A 1 
ATOM 421 N ND2 . ASN A 1 54 ? 13.711  3.681   6.524   1.00 66.29 54 A 1 
ATOM 422 N N   . PRO A 1 55 ? 16.925  4.287   1.773   1.00 76.84 55 A 1 
ATOM 423 C CA  . PRO A 1 55 ? 17.056  4.202   0.313   1.00 73.24 55 A 1 
ATOM 424 C C   . PRO A 1 55 ? 17.426  2.802   -0.197  1.00 71.07 55 A 1 
ATOM 425 O O   . PRO A 1 55 ? 17.130  2.461   -1.335  1.00 66.23 55 A 1 
ATOM 426 C CB  . PRO A 1 55 ? 18.123  5.240   -0.048  1.00 72.91 55 A 1 
ATOM 427 C CG  . PRO A 1 55 ? 18.934  5.412   1.238   1.00 72.59 55 A 1 
ATOM 428 C CD  . PRO A 1 55 ? 17.886  5.220   2.328   1.00 75.27 55 A 1 
ATOM 429 N N   . ASN A 1 56 ? 18.033  1.984   0.648   1.00 72.93 56 A 1 
ATOM 430 C CA  . ASN A 1 56 ? 18.379  0.590   0.350   1.00 69.78 56 A 1 
ATOM 431 C C   . ASN A 1 56 ? 17.431  -0.413  1.030   1.00 68.28 56 A 1 
ATOM 432 O O   . ASN A 1 56 ? 17.731  -1.608  1.070   1.00 64.95 56 A 1 
ATOM 433 C CB  . ASN A 1 56 ? 19.839  0.343   0.756   1.00 67.69 56 A 1 
ATOM 434 C CG  . ASN A 1 56 ? 20.822  1.233   0.013   1.00 61.61 56 A 1 
ATOM 435 O OD1 . ASN A 1 56 ? 20.725  1.487   -1.174  1.00 57.18 56 A 1 
ATOM 436 N ND2 . ASN A 1 56 ? 21.823  1.736   0.699   1.00 56.63 56 A 1 
ATOM 437 N N   . ALA A 1 57 ? 16.326  0.057   1.614   1.00 69.01 57 A 1 
ATOM 438 C CA  . ALA A 1 57 ? 15.415  -0.821  2.316   1.00 66.70 57 A 1 
ATOM 439 C C   . ALA A 1 57 ? 14.619  -1.668  1.329   1.00 67.41 57 A 1 
ATOM 440 O O   . ALA A 1 57 ? 13.995  -1.181  0.388   1.00 63.46 57 A 1 
ATOM 441 C CB  . ALA A 1 57 ? 14.500  -0.028  3.241   1.00 62.73 57 A 1 
ATOM 442 N N   . ASN A 1 58 ? 14.591  -2.964  1.612   1.00 67.33 58 A 1 
ATOM 443 C CA  . ASN A 1 58 ? 13.647  -3.886  1.005   1.00 67.69 58 A 1 
ATOM 444 C C   . ASN A 1 58 ? 12.219  -3.542  1.442   1.00 70.08 58 A 1 
ATOM 445 O O   . ASN A 1 58 ? 11.999  -2.801  2.404   1.00 67.09 58 A 1 
ATOM 446 C CB  . ASN A 1 58 ? 14.056  -5.310  1.399   1.00 63.09 58 A 1 
ATOM 447 C CG  . ASN A 1 58 ? 15.426  -5.663  0.847   1.00 57.14 58 A 1 
ATOM 448 O OD1 . ASN A 1 58 ? 15.779  -5.329  -0.271  1.00 51.80 58 A 1 
ATOM 449 N ND2 . ASN A 1 58 ? 16.244  -6.351  1.612   1.00 50.99 58 A 1 
ATOM 450 N N   . CYS A 1 59 ? 11.215  -4.122  0.776   1.00 70.04 59 A 1 
ATOM 451 C CA  . CYS A 1 59 ? 9.846   -4.025  1.262   1.00 71.17 59 A 1 
ATOM 452 C C   . CYS A 1 59 ? 9.796   -4.479  2.732   1.00 72.82 59 A 1 
ATOM 453 O O   . CYS A 1 59 ? 10.219  -5.599  3.008   1.00 70.99 59 A 1 
ATOM 454 C CB  . CYS A 1 59 ? 8.947   -4.895  0.378   1.00 69.04 59 A 1 
ATOM 455 S SG  . CYS A 1 59 ? 7.260   -4.907  1.057   1.00 63.20 59 A 1 
ATOM 456 N N   . PRO A 1 60 ? 9.231   -3.677  3.664   1.00 72.27 60 A 1 
ATOM 457 C CA  . PRO A 1 60 ? 9.243   -3.994  5.095   1.00 72.32 60 A 1 
ATOM 458 C C   . PRO A 1 60 ? 8.480   -5.275  5.461   1.00 72.91 60 A 1 
ATOM 459 O O   . PRO A 1 60 ? 8.581   -5.748  6.584   1.00 70.22 60 A 1 
ATOM 460 C CB  . PRO A 1 60 ? 8.632   -2.762  5.772   1.00 70.50 60 A 1 
ATOM 461 C CG  . PRO A 1 60 ? 7.789   -2.113  4.678   1.00 69.20 60 A 1 
ATOM 462 C CD  . PRO A 1 60 ? 8.589   -2.405  3.416   1.00 70.77 60 A 1 
ATOM 463 N N   . VAL A 1 61 ? 7.695   -5.819  4.519   1.00 71.85 61 A 1 
ATOM 464 C CA  . VAL A 1 61 ? 6.901   -7.042  4.711   1.00 71.43 61 A 1 
ATOM 465 C C   . VAL A 1 61 ? 7.433   -8.207  3.876   1.00 70.66 61 A 1 
ATOM 466 O O   . VAL A 1 61 ? 7.287   -9.366  4.263   1.00 66.16 61 A 1 
ATOM 467 C CB  . VAL A 1 61 ? 5.428   -6.782  4.371   1.00 69.60 61 A 1 
ATOM 468 C CG1 . VAL A 1 61 ? 4.531   -7.963  4.752   1.00 64.59 61 A 1 
ATOM 469 C CG2 . VAL A 1 61 ? 4.893   -5.541  5.088   1.00 65.19 61 A 1 
ATOM 470 N N   . ALA A 1 62 ? 8.013   -7.926  2.716   1.00 66.41 62 A 1 
ATOM 471 C CA  . ALA A 1 62 ? 8.587   -8.956  1.871   1.00 63.53 62 A 1 
ATOM 472 C C   . ALA A 1 62 ? 10.074  -9.122  2.211   1.00 62.55 62 A 1 
ATOM 473 O O   . ALA A 1 62 ? 10.877  -8.238  1.932   1.00 57.04 62 A 1 
ATOM 474 C CB  . ALA A 1 62 ? 8.354   -8.605  0.399   1.00 59.31 62 A 1 
ATOM 475 N N   . ASP A 1 63 ? 10.410  -10.298 2.712   1.00 57.47 63 A 1 
ATOM 476 C CA  . ASP A 1 63 ? 11.783  -10.753 2.996   1.00 56.64 63 A 1 
ATOM 477 C C   . ASP A 1 63 ? 12.625  -10.939 1.705   1.00 56.40 63 A 1 
ATOM 478 O O   . ASP A 1 63 ? 13.431  -11.850 1.562   1.00 52.79 63 A 1 
ATOM 479 C CB  . ASP A 1 63 ? 11.668  -12.050 3.827   1.00 53.27 63 A 1 
ATOM 480 C CG  . ASP A 1 63 ? 12.699  -12.143 4.943   1.00 48.81 63 A 1 
ATOM 481 O OD1 . ASP A 1 63 ? 13.908  -12.138 4.627   1.00 44.83 63 A 1 
ATOM 482 O OD2 . ASP A 1 63 ? 12.255  -12.249 6.105   1.00 44.37 63 A 1 
ATOM 483 N N   . LYS A 1 64 ? 12.370  -10.121 0.679   1.00 53.15 64 A 1 
ATOM 484 C CA  . LYS A 1 64 ? 13.044  -10.183 -0.614  1.00 52.88 64 A 1 
ATOM 485 C C   . LYS A 1 64 ? 14.042  -9.046  -0.740  1.00 53.22 64 A 1 
ATOM 486 O O   . LYS A 1 64 ? 13.673  -7.877  -0.825  1.00 49.73 64 A 1 
ATOM 487 C CB  . LYS A 1 64 ? 12.045  -10.224 -1.774  1.00 48.37 64 A 1 
ATOM 488 C CG  . LYS A 1 64 ? 11.275  -11.553 -1.776  1.00 44.28 64 A 1 
ATOM 489 C CD  . LYS A 1 64 ? 10.537  -11.743 -3.101  1.00 41.92 64 A 1 
ATOM 490 C CE  . LYS A 1 64 ? 9.820   -13.094 -3.100  1.00 38.90 64 A 1 
ATOM 491 N NZ  . LYS A 1 64 ? 9.211   -13.367 -4.423  1.00 35.74 64 A 1 
ATOM 492 N N   . ILE A 1 65 ? 15.292  -9.434  -0.812  1.00 49.46 65 A 1 
ATOM 493 C CA  . ILE A 1 65 ? 16.434  -8.585  -1.140  1.00 48.70 65 A 1 
ATOM 494 C C   . ILE A 1 65 ? 16.205  -7.969  -2.526  1.00 50.00 65 A 1 
ATOM 495 O O   . ILE A 1 65 ? 16.061  -8.695  -3.505  1.00 46.79 65 A 1 
ATOM 496 C CB  . ILE A 1 65 ? 17.732  -9.440  -1.088  1.00 44.22 65 A 1 
ATOM 497 C CG1 . ILE A 1 65 ? 17.922  -10.096 0.308   1.00 40.04 65 A 1 
ATOM 498 C CG2 . ILE A 1 65 ? 18.961  -8.586  -1.444  1.00 39.39 65 A 1 
ATOM 499 C CD1 . ILE A 1 65 ? 19.058  -11.129 0.374   1.00 37.31 65 A 1 
ATOM 500 N N   . GLY A 1 66 ? 16.173  -6.638  -2.612  1.00 49.53 66 A 1 
ATOM 501 C CA  . GLY A 1 66 ? 16.251  -5.898  -3.875  1.00 49.53 66 A 1 
ATOM 502 C C   . GLY A 1 66 ? 14.933  -5.586  -4.590  1.00 51.67 66 A 1 
ATOM 503 O O   . GLY A 1 66 ? 14.972  -5.238  -5.767  1.00 48.89 66 A 1 
ATOM 504 N N   . ALA A 1 67 ? 13.769  -5.667  -3.926  1.00 51.56 67 A 1 
ATOM 505 C CA  . ALA A 1 67 ? 12.521  -5.207  -4.521  1.00 51.71 67 A 1 
ATOM 506 C C   . ALA A 1 67 ? 12.502  -3.668  -4.575  1.00 53.38 67 A 1 
ATOM 507 O O   . ALA A 1 67 ? 12.220  -3.010  -3.574  1.00 51.15 67 A 1 
ATOM 508 C CB  . ALA A 1 67 ? 11.339  -5.803  -3.749  1.00 48.92 67 A 1 
ATOM 509 N N   . GLU A 1 68 ? 12.766  -3.092  -5.752  1.00 52.84 68 A 1 
ATOM 510 C CA  . GLU A 1 68 ? 12.433  -1.693  -6.020  1.00 54.39 68 A 1 
ATOM 511 C C   . GLU A 1 68 ? 10.940  -1.508  -5.755  1.00 56.20 68 A 1 
ATOM 512 O O   . GLU A 1 68 ? 10.093  -2.139  -6.397  1.00 54.63 68 A 1 
ATOM 513 C CB  . GLU A 1 68 ? 12.762  -1.291  -7.468  1.00 51.93 68 A 1 
ATOM 514 C CG  . GLU A 1 68 ? 14.258  -1.050  -7.696  1.00 46.18 68 A 1 
ATOM 515 C CD  . GLU A 1 68 ? 14.497  -0.494  -9.110  1.00 42.78 68 A 1 
ATOM 516 O OE1 . GLU A 1 68 ? 14.692  0.740   -9.234  1.00 41.07 68 A 1 
ATOM 517 O OE2 . GLU A 1 68 ? 14.450  -1.298  -10.069 1.00 39.75 68 A 1 
ATOM 518 N N   . VAL A 1 69 ? 10.589  -0.658  -4.798  1.00 53.46 69 A 1 
ATOM 519 C CA  . VAL A 1 69 ? 9.190   -0.387  -4.453  1.00 53.55 69 A 1 
ATOM 520 C C   . VAL A 1 69 ? 8.569   0.461   -5.566  1.00 54.91 69 A 1 
ATOM 521 O O   . VAL A 1 69 ? 8.382   1.667   -5.444  1.00 52.07 69 A 1 
ATOM 522 C CB  . VAL A 1 69 ? 9.049   0.232   -3.044  1.00 51.46 69 A 1 
ATOM 523 C CG1 . VAL A 1 69 ? 7.573   0.302   -2.627  1.00 48.33 69 A 1 
ATOM 524 C CG2 . VAL A 1 69 ? 9.773   -0.601  -1.976  1.00 47.52 69 A 1 
ATOM 525 N N   . ASN A 1 70 ? 8.257   -0.172  -6.698  1.00 53.58 70 A 1 
ATOM 526 C CA  . ASN A 1 70 ? 7.507   0.438   -7.780  1.00 54.94 70 A 1 
ATOM 527 C C   . ASN A 1 70 ? 6.051   0.574   -7.330  1.00 55.86 70 A 1 
ATOM 528 O O   . ASN A 1 70 ? 5.216   -0.319  -7.506  1.00 53.64 70 A 1 
ATOM 529 C CB  . ASN A 1 70 ? 7.712   -0.370  -9.075  1.00 52.44 70 A 1 
ATOM 530 C CG  . ASN A 1 70 ? 8.858   0.192   -9.889  1.00 47.19 70 A 1 
ATOM 531 O OD1 . ASN A 1 70 ? 8.780   1.316   -10.364 1.00 43.77 70 A 1 
ATOM 532 N ND2 . ASN A 1 70 ? 9.921   -0.538  -10.092 1.00 42.52 70 A 1 
ATOM 533 N N   . CYS A 1 71 ? 5.746   1.714   -6.708  1.00 55.16 71 A 1 
ATOM 534 C CA  . CYS A 1 71 ? 4.412   2.059   -6.249  1.00 54.68 71 A 1 
ATOM 535 C C   . CYS A 1 71 ? 3.555   2.501   -7.441  1.00 55.55 71 A 1 
ATOM 536 O O   . CYS A 1 71 ? 3.782   3.560   -8.025  1.00 52.20 71 A 1 
ATOM 537 C CB  . CYS A 1 71 ? 4.521   3.156   -5.184  1.00 52.16 71 A 1 
ATOM 538 S SG  . CYS A 1 71 ? 5.274   2.493   -3.672  1.00 46.17 71 A 1 
ATOM 539 N N   . ARG A 1 72 ? 2.513   1.731   -7.777  1.00 51.23 72 A 1 
ATOM 540 C CA  . ARG A 1 72 ? 1.409   2.208   -8.624  1.00 51.40 72 A 1 
ATOM 541 C C   . ARG A 1 72 ? 0.224   2.598   -7.746  1.00 51.03 72 A 1 
ATOM 542 O O   . ARG A 1 72 ? -0.049  1.942   -6.747  1.00 48.81 72 A 1 
ATOM 543 C CB  . ARG A 1 72 ? 1.021   1.166   -9.682  1.00 47.98 72 A 1 
ATOM 544 C CG  . ARG A 1 72 ? 2.101   1.054   -10.771 1.00 43.40 72 A 1 
ATOM 545 C CD  . ARG A 1 72 ? 1.588   0.218   -11.946 1.00 41.81 72 A 1 
ATOM 546 N NE  . ARG A 1 72 ? 2.603   0.091   -13.009 1.00 40.68 72 A 1 
ATOM 547 C CZ  . ARG A 1 72 ? 2.447   -0.523  -14.173 1.00 37.67 72 A 1 
ATOM 548 N NH1 . ARG A 1 72 ? 1.322   -1.092  -14.512 1.00 35.71 72 A 1 
ATOM 549 N NH2 . ARG A 1 72 ? 3.439   -0.581  -15.023 1.00 35.00 72 A 1 
ATOM 550 N N   . ILE A 1 73 ? -0.487  3.659   -8.145  1.00 48.03 73 A 1 
ATOM 551 C CA  . ILE A 1 73 ? -1.730  4.070   -7.488  1.00 47.26 73 A 1 
ATOM 552 C C   . ILE A 1 73 ? -2.728  2.919   -7.629  1.00 47.03 73 A 1 
ATOM 553 O O   . ILE A 1 73 ? -3.030  2.504   -8.750  1.00 44.57 73 A 1 
ATOM 554 C CB  . ILE A 1 73 ? -2.252  5.393   -8.097  1.00 44.83 73 A 1 
ATOM 555 C CG1 . ILE A 1 73 ? -1.213  6.530   -7.912  1.00 41.33 73 A 1 
ATOM 556 C CG2 . ILE A 1 73 ? -3.595  5.787   -7.460  1.00 40.53 73 A 1 
ATOM 557 C CD1 . ILE A 1 73 ? -1.542  7.815   -8.686  1.00 39.79 73 A 1 
ATOM 558 N N   . ALA A 1 74 ? -3.210  2.397   -6.516  1.00 50.11 74 A 1 
ATOM 559 C CA  . ALA A 1 74 ? -4.327  1.467   -6.517  1.00 49.39 74 A 1 
ATOM 560 C C   . ALA A 1 74 ? -5.603  2.278   -6.791  1.00 48.64 74 A 1 
ATOM 561 O O   . ALA A 1 74 ? -5.945  3.168   -6.019  1.00 45.44 74 A 1 
ATOM 562 C CB  . ALA A 1 74 ? -4.349  0.710   -5.178  1.00 47.54 74 A 1 
ATOM 563 N N   . LYS A 1 75 ? -6.251  2.030   -7.927  1.00 44.70 75 A 1 
ATOM 564 C CA  . LYS A 1 75 ? -7.625  2.467   -8.196  1.00 42.46 75 A 1 
ATOM 565 C C   . LYS A 1 75 ? -8.587  1.446   -7.630  1.00 39.70 75 A 1 
ATOM 566 O O   . LYS A 1 75 ? -8.249  0.245   -7.694  1.00 36.38 75 A 1 
ATOM 567 C CB  . LYS A 1 75 ? -7.881  2.652   -9.698  1.00 41.19 75 A 1 
ATOM 568 C CG  . LYS A 1 75 ? -7.367  3.987   -10.235 1.00 37.70 75 A 1 
ATOM 569 C CD  . LYS A 1 75 ? -7.853  4.172   -11.684 1.00 35.22 75 A 1 
ATOM 570 C CE  . LYS A 1 75 ? -7.476  5.553   -12.209 1.00 32.80 75 A 1 
ATOM 571 N NZ  . LYS A 1 75 ? -8.040  5.792   -13.566 1.00 31.50 75 A 1 
ATOM 572 O OXT . LYS A 1 75 ? -9.683  1.906   -7.198  1.00 34.75 75 A 1 
#
