# 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_multifold-scruffy-kilobyte-af3
#
_entry.id multifold-scruffy-kilobyte-af3
#
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 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" 
"C9 H11 N O2"   165.189 PHE y PHENYLALANINE   c1ccc(cc1)C[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" 
"C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN      c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 MET 1  
1 n ALA 2  
1 n LEU 3  
1 n TRP 4  
1 n MET 5  
1 n ARG 6  
1 n LEU 7  
1 n LEU 8  
1 n PRO 9  
1 n LEU 10 
1 n LEU 11 
1 n ALA 12 
1 n LEU 13 
1 n LEU 14 
1 n ALA 15 
1 n LEU 16 
1 n TRP 17 
1 n GLY 18 
1 n PRO 19 
1 n ASP 20 
1 n PRO 21 
1 n ALA 22 
1 n ALA 23 
1 n ALA 24 
1 n PHE 25 
1 n VAL 26 
1 n ASN 27 
1 n GLN 28 
1 n HIS 29 
1 n LEU 30 
1 n CYS 31 
1 n GLY 32 
1 n SER 33 
1 n HIS 34 
1 n LEU 35 
1 n VAL 36 
1 n GLU 37 
1 n ALA 38 
1 n LEU 39 
1 n TYR 40 
1 n LEU 41 
1 n VAL 42 
1 n CYS 43 
1 n GLY 44 
1 n GLU 45 
1 n ARG 46 
1 n GLY 47 
1 n PHE 48 
1 n PHE 49 
1 n TYR 50 
1 n THR 51 
1 n PRO 52 
1 n LYS 53 
1 n THR 54 
1 n ARG 55 
1 n ARG 56 
1 n GLU 57 
1 n ALA 58 
1 n GLU 59 
1 n ASP 60 
1 n LEU 61 
1 n GLN 62 
1 n VAL 63 
1 n GLY 64 
1 n GLN 65 
1 n VAL 66 
1 n GLU 67 
1 n LEU 68 
1 n GLY 69 
1 n GLY 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 @ 2026-05-20 13:40:57)"
_ma_model_list.model_id         1
_ma_model_list.model_name       "Top ranked model"
_ma_model_list.model_type       "Ab initio model"
_ma_model_list.ordinal_id       1
#
loop_
_ma_protocol_step.method_type
_ma_protocol_step.ordinal_id
_ma_protocol_step.protocol_id
_ma_protocol_step.step_id
"coevolution MSA" 1 1 1 
"template search" 2 1 2 
modeling          3 1 3 
#
loop_
_ma_qa_metric.id
_ma_qa_metric.mode
_ma_qa_metric.name
_ma_qa_metric.software_group_id
_ma_qa_metric.type
1 global pLDDT 1 pLDDT 
2 local  pLDDT 1 pLDDT 
#
_ma_qa_metric_global.metric_id    1
_ma_qa_metric_global.metric_value 72.27
_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 MET 1  2 73.66 1 1  
A ALA 2  2 87.21 1 2  
A LEU 3  2 84.42 1 3  
A TRP 4  2 75.62 1 4  
A MET 5  2 83.83 1 5  
A ARG 6  2 80.41 1 6  
A LEU 7  2 88.99 1 7  
A LEU 8  2 86.97 1 8  
A PRO 9  2 91.18 1 9  
A LEU 10 2 86.51 1 10 
A LEU 11 2 86.55 1 11 
A ALA 12 2 89.85 1 12 
A LEU 13 2 84.93 1 13 
A LEU 14 2 84.43 1 14 
A ALA 15 2 85.04 1 15 
A LEU 16 2 81.71 1 16 
A TRP 17 2 70.08 1 17 
A GLY 18 2 70.01 1 18 
A PRO 19 2 65.94 1 19 
A ASP 20 2 59.14 1 20 
A PRO 21 2 54.22 1 21 
A ALA 22 2 53.28 1 22 
A ALA 23 2 55.24 1 23 
A ALA 24 2 51.77 1 24 
A PHE 25 2 46.54 1 25 
A VAL 26 2 53.23 1 26 
A ASN 27 2 52.35 1 27 
A GLN 28 2 62.67 1 28 
A HIS 29 2 68.05 1 29 
A LEU 30 2 71.89 1 30 
A CYS 31 2 81.53 1 31 
A GLY 32 2 85.28 1 32 
A SER 33 2 86.99 1 33 
A HIS 34 2 81.76 1 34 
A LEU 35 2 86.06 1 35 
A VAL 36 2 86.16 1 36 
A GLU 37 2 80.63 1 37 
A ALA 38 2 90.24 1 38 
A LEU 39 2 85.86 1 39 
A TYR 40 2 79.98 1 40 
A LEU 41 2 85.39 1 41 
A VAL 42 2 88.39 1 42 
A CYS 43 2 89.56 1 43 
A GLY 44 2 86.98 1 44 
A GLU 45 2 73.35 1 45 
A ARG 46 2 72.66 1 46 
A GLY 47 2 81.36 1 47 
A PHE 48 2 73.50 1 48 
A PHE 49 2 70.34 1 49 
A TYR 50 2 71.80 1 50 
A THR 51 2 72.26 1 51 
A PRO 52 2 75.63 1 52 
A LYS 53 2 62.90 1 53 
A THR 54 2 69.88 1 54 
A ARG 55 2 59.75 1 55 
A ARG 56 2 55.87 1 56 
A GLU 57 2 61.03 1 57 
A ALA 58 2 71.54 1 58 
A GLU 59 2 59.95 1 59 
A ASP 60 2 64.78 1 60 
A LEU 61 2 63.55 1 61 
A GLN 62 2 63.24 1 62 
A VAL 63 2 66.64 1 63 
A GLY 64 2 70.00 1 64 
A GLN 65 2 57.06 1 65 
A VAL 66 2 62.44 1 66 
A GLU 67 2 60.24 1 67 
A LEU 68 2 61.64 1 68 
A GLY 69 2 56.88 1 69 
A GLY 70 2 53.43 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 MET . 1  A 1  
A 2  1 n ALA . 2  A 2  
A 3  1 n LEU . 3  A 3  
A 4  1 n TRP . 4  A 4  
A 5  1 n MET . 5  A 5  
A 6  1 n ARG . 6  A 6  
A 7  1 n LEU . 7  A 7  
A 8  1 n LEU . 8  A 8  
A 9  1 n PRO . 9  A 9  
A 10 1 n LEU . 10 A 10 
A 11 1 n LEU . 11 A 11 
A 12 1 n ALA . 12 A 12 
A 13 1 n LEU . 13 A 13 
A 14 1 n LEU . 14 A 14 
A 15 1 n ALA . 15 A 15 
A 16 1 n LEU . 16 A 16 
A 17 1 n TRP . 17 A 17 
A 18 1 n GLY . 18 A 18 
A 19 1 n PRO . 19 A 19 
A 20 1 n ASP . 20 A 20 
A 21 1 n PRO . 21 A 21 
A 22 1 n ALA . 22 A 22 
A 23 1 n ALA . 23 A 23 
A 24 1 n ALA . 24 A 24 
A 25 1 n PHE . 25 A 25 
A 26 1 n VAL . 26 A 26 
A 27 1 n ASN . 27 A 27 
A 28 1 n GLN . 28 A 28 
A 29 1 n HIS . 29 A 29 
A 30 1 n LEU . 30 A 30 
A 31 1 n CYS . 31 A 31 
A 32 1 n GLY . 32 A 32 
A 33 1 n SER . 33 A 33 
A 34 1 n HIS . 34 A 34 
A 35 1 n LEU . 35 A 35 
A 36 1 n VAL . 36 A 36 
A 37 1 n GLU . 37 A 37 
A 38 1 n ALA . 38 A 38 
A 39 1 n LEU . 39 A 39 
A 40 1 n TYR . 40 A 40 
A 41 1 n LEU . 41 A 41 
A 42 1 n VAL . 42 A 42 
A 43 1 n CYS . 43 A 43 
A 44 1 n GLY . 44 A 44 
A 45 1 n GLU . 45 A 45 
A 46 1 n ARG . 46 A 46 
A 47 1 n GLY . 47 A 47 
A 48 1 n PHE . 48 A 48 
A 49 1 n PHE . 49 A 49 
A 50 1 n TYR . 50 A 50 
A 51 1 n THR . 51 A 51 
A 52 1 n PRO . 52 A 52 
A 53 1 n LYS . 53 A 53 
A 54 1 n THR . 54 A 54 
A 55 1 n ARG . 55 A 55 
A 56 1 n ARG . 56 A 56 
A 57 1 n GLU . 57 A 57 
A 58 1 n ALA . 58 A 58 
A 59 1 n GLU . 59 A 59 
A 60 1 n ASP . 60 A 60 
A 61 1 n LEU . 61 A 61 
A 62 1 n GLN . 62 A 62 
A 63 1 n VAL . 63 A 63 
A 64 1 n GLY . 64 A 64 
A 65 1 n GLN . 65 A 65 
A 66 1 n VAL . 66 A 66 
A 67 1 n GLU . 67 A 67 
A 68 1 n LEU . 68 A 68 
A 69 1 n GLY . 69 A 69 
A 70 1 n GLY . 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   . MET A 1 1  ? 6.884   -27.750 37.266  1.00 80.84 1  A 1 
ATOM 2   C CA  . MET A 1 1  ? 7.821   -27.982 36.147  1.00 82.07 1  A 1 
ATOM 3   C C   . MET A 1 1  ? 7.106   -28.346 34.844  1.00 80.21 1  A 1 
ATOM 4   O O   . MET A 1 1  ? 7.374   -27.705 33.839  1.00 77.95 1  A 1 
ATOM 5   C CB  . MET A 1 1  ? 8.905   -29.002 36.528  1.00 76.25 1  A 1 
ATOM 6   C CG  . MET A 1 1  ? 9.747   -28.536 37.738  1.00 70.22 1  A 1 
ATOM 7   S SD  . MET A 1 1  ? 10.471  -26.883 37.552  1.00 65.76 1  A 1 
ATOM 8   C CE  . MET A 1 1  ? 11.405  -26.737 39.092  1.00 56.00 1  A 1 
ATOM 9   N N   . ALA A 1 2  ? 6.135   -29.276 34.835  1.00 89.93 2  A 1 
ATOM 10  C CA  . ALA A 1 2  ? 5.449   -29.704 33.596  1.00 88.74 2  A 1 
ATOM 11  C C   . ALA A 1 2  ? 4.552   -28.634 32.925  1.00 88.00 2  A 1 
ATOM 12  O O   . ALA A 1 2  ? 4.400   -28.630 31.703  1.00 84.48 2  A 1 
ATOM 13  C CB  . ALA A 1 2  ? 4.644   -30.961 33.927  1.00 84.92 2  A 1 
ATOM 14  N N   . LEU A 1 3  ? 3.973   -27.703 33.693  1.00 91.31 3  A 1 
ATOM 15  C CA  . LEU A 1 3  ? 3.117   -26.618 33.173  1.00 90.17 3  A 1 
ATOM 16  C C   . LEU A 1 3  ? 3.900   -25.617 32.314  1.00 90.95 3  A 1 
ATOM 17  O O   . LEU A 1 3  ? 3.422   -25.207 31.257  1.00 89.80 3  A 1 
ATOM 18  C CB  . LEU A 1 3  ? 2.417   -25.926 34.360  1.00 89.28 3  A 1 
ATOM 19  C CG  . LEU A 1 3  ? 0.890   -26.134 34.358  1.00 77.65 3  A 1 
ATOM 20  C CD1 . LEU A 1 3  ? 0.413   -26.632 35.723  1.00 71.66 3  A 1 
ATOM 21  C CD2 . LEU A 1 3  ? 0.162   -24.831 34.040  1.00 74.50 3  A 1 
ATOM 22  N N   . TRP A 1 4  ? 5.128   -25.287 32.710  1.00 90.76 4  A 1 
ATOM 23  C CA  . TRP A 1 4  ? 6.011   -24.383 31.959  1.00 89.26 4  A 1 
ATOM 24  C C   . TRP A 1 4  ? 6.431   -24.960 30.605  1.00 90.14 4  A 1 
ATOM 25  O O   . TRP A 1 4  ? 6.421   -24.244 29.603  1.00 88.64 4  A 1 
ATOM 26  C CB  . TRP A 1 4  ? 7.228   -24.033 32.825  1.00 86.96 4  A 1 
ATOM 27  C CG  . TRP A 1 4  ? 7.167   -22.685 33.466  1.00 78.83 4  A 1 
ATOM 28  C CD1 . TRP A 1 4  ? 6.204   -22.230 34.298  1.00 70.10 4  A 1 
ATOM 29  C CD2 . TRP A 1 4  ? 8.111   -21.580 33.302  1.00 72.21 4  A 1 
ATOM 30  N NE1 . TRP A 1 4  ? 6.482   -20.924 34.649  1.00 64.34 4  A 1 
ATOM 31  C CE2 . TRP A 1 4  ? 7.646   -20.477 34.069  1.00 67.77 4  A 1 
ATOM 32  C CE3 . TRP A 1 4  ? 9.313   -21.416 32.585  1.00 63.27 4  A 1 
ATOM 33  C CZ2 . TRP A 1 4  ? 8.340   -19.255 34.120  1.00 67.54 4  A 1 
ATOM 34  C CZ3 . TRP A 1 4  ? 10.019  -20.191 32.637  1.00 64.14 4  A 1 
ATOM 35  C CH2 . TRP A 1 4  ? 9.530   -19.115 33.397  1.00 64.71 4  A 1 
ATOM 36  N N   . MET A 1 5  ? 6.696   -26.267 30.537  1.00 91.38 5  A 1 
ATOM 37  C CA  . MET A 1 5  ? 7.025   -26.946 29.272  1.00 90.25 5  A 1 
ATOM 38  C C   . MET A 1 5  ? 5.848   -26.983 28.283  1.00 90.65 5  A 1 
ATOM 39  O O   . MET A 1 5  ? 6.081   -27.074 27.082  1.00 91.19 5  A 1 
ATOM 40  C CB  . MET A 1 5  ? 7.515   -28.371 29.551  1.00 90.21 5  A 1 
ATOM 41  C CG  . MET A 1 5  ? 8.964   -28.381 30.046  1.00 79.44 5  A 1 
ATOM 42  S SD  . MET A 1 5  ? 9.561   -30.019 30.548  1.00 73.51 5  A 1 
ATOM 43  C CE  . MET A 1 5  ? 9.551   -30.913 28.972  1.00 63.97 5  A 1 
ATOM 44  N N   . ARG A 1 6  ? 4.596   -26.890 28.757  1.00 91.14 6  A 1 
ATOM 45  C CA  . ARG A 1 6  ? 3.404   -26.815 27.891  1.00 89.43 6  A 1 
ATOM 46  C C   . ARG A 1 6  ? 3.048   -25.380 27.481  1.00 91.10 6  A 1 
ATOM 47  O O   . ARG A 1 6  ? 2.444   -25.194 26.429  1.00 91.31 6  A 1 
ATOM 48  C CB  . ARG A 1 6  ? 2.223   -27.514 28.567  1.00 89.19 6  A 1 
ATOM 49  C CG  . ARG A 1 6  ? 2.454   -29.032 28.691  1.00 83.25 6  A 1 
ATOM 50  C CD  . ARG A 1 6  ? 1.166   -29.808 28.477  1.00 79.92 6  A 1 
ATOM 51  N NE  . ARG A 1 6  ? 1.378   -31.265 28.537  1.00 74.53 6  A 1 
ATOM 52  C CZ  . ARG A 1 6  ? 0.451   -32.194 28.383  1.00 68.12 6  A 1 
ATOM 53  N NH1 . ARG A 1 6  ? -0.803  -31.896 28.177  1.00 62.02 6  A 1 
ATOM 54  N NH2 . ARG A 1 6  ? 0.769   -33.458 28.444  1.00 64.50 6  A 1 
ATOM 55  N N   . LEU A 1 7  ? 3.433   -24.371 28.273  1.00 93.04 7  A 1 
ATOM 56  C CA  . LEU A 1 7  ? 3.216   -22.951 27.967  1.00 92.63 7  A 1 
ATOM 57  C C   . LEU A 1 7  ? 4.246   -22.391 26.971  1.00 93.76 7  A 1 
ATOM 58  O O   . LEU A 1 7  ? 3.899   -21.522 26.172  1.00 94.00 7  A 1 
ATOM 59  C CB  . LEU A 1 7  ? 3.219   -22.163 29.288  1.00 92.65 7  A 1 
ATOM 60  C CG  . LEU A 1 7  ? 1.884   -22.255 30.045  1.00 85.51 7  A 1 
ATOM 61  C CD1 . LEU A 1 7  ? 2.074   -21.903 31.518  1.00 78.79 7  A 1 
ATOM 62  C CD2 . LEU A 1 7  ? 0.846   -21.291 29.457  1.00 81.53 7  A 1 
ATOM 63  N N   . LEU A 1 8  ? 5.470   -22.925 26.969  1.00 93.14 8  A 1 
ATOM 64  C CA  . LEU A 1 8  ? 6.541   -22.562 26.034  1.00 91.99 8  A 1 
ATOM 65  C C   . LEU A 1 8  ? 6.131   -22.641 24.549  1.00 92.71 8  A 1 
ATOM 66  O O   . LEU A 1 8  ? 6.319   -21.652 23.839  1.00 93.44 8  A 1 
ATOM 67  C CB  . LEU A 1 8  ? 7.784   -23.416 26.350  1.00 92.04 8  A 1 
ATOM 68  C CG  . LEU A 1 8  ? 8.921   -22.598 26.983  1.00 81.19 8  A 1 
ATOM 69  C CD1 . LEU A 1 8  ? 9.793   -23.485 27.871  1.00 74.67 8  A 1 
ATOM 70  C CD2 . LEU A 1 8  ? 9.803   -21.977 25.910  1.00 76.61 8  A 1 
ATOM 71  N N   . PRO A 1 9  ? 5.542   -23.736 24.036  1.00 91.68 9  A 1 
ATOM 72  C CA  . PRO A 1 9  ? 5.134   -23.808 22.634  1.00 91.08 9  A 1 
ATOM 73  C C   . PRO A 1 9  ? 3.958   -22.873 22.312  1.00 91.53 9  A 1 
ATOM 74  O O   . PRO A 1 9  ? 3.879   -22.375 21.197  1.00 92.36 9  A 1 
ATOM 75  C CB  . PRO A 1 9  ? 4.789   -25.282 22.376  1.00 90.02 9  A 1 
ATOM 76  C CG  . PRO A 1 9  ? 4.410   -25.814 23.750  1.00 89.40 9  A 1 
ATOM 77  C CD  . PRO A 1 9  ? 5.326   -25.028 24.676  1.00 92.22 9  A 1 
ATOM 78  N N   . LEU A 1 10 ? 3.073   -22.581 23.282  1.00 91.43 10 A 1 
ATOM 79  C CA  . LEU A 1 10 ? 1.978   -21.619 23.122  1.00 90.24 10 A 1 
ATOM 80  C C   . LEU A 1 10 ? 2.495   -20.183 22.987  1.00 91.17 10 A 1 
ATOM 81  O O   . LEU A 1 10 ? 2.035   -19.441 22.119  1.00 91.95 10 A 1 
ATOM 82  C CB  . LEU A 1 10 ? 1.008   -21.779 24.308  1.00 90.47 10 A 1 
ATOM 83  C CG  . LEU A 1 10 ? -0.291  -22.503 23.918  1.00 81.21 10 A 1 
ATOM 84  C CD1 . LEU A 1 10 ? -0.923  -23.179 25.126  1.00 76.76 10 A 1 
ATOM 85  C CD2 . LEU A 1 10 ? -1.301  -21.509 23.336  1.00 78.85 10 A 1 
ATOM 86  N N   . LEU A 1 11 ? 3.493   -19.808 23.797  1.00 91.53 11 A 1 
ATOM 87  C CA  . LEU A 1 11 ? 4.186   -18.520 23.698  1.00 89.49 11 A 1 
ATOM 88  C C   . LEU A 1 11 ? 4.964   -18.384 22.385  1.00 89.62 11 A 1 
ATOM 89  O O   . LEU A 1 11 ? 4.931   -17.323 21.768  1.00 90.44 11 A 1 
ATOM 90  C CB  . LEU A 1 11 ? 5.112   -18.361 24.918  1.00 89.82 11 A 1 
ATOM 91  C CG  . LEU A 1 11 ? 4.467   -17.513 26.028  1.00 83.09 11 A 1 
ATOM 92  C CD1 . LEU A 1 11 ? 4.981   -17.928 27.401  1.00 78.13 11 A 1 
ATOM 93  C CD2 . LEU A 1 11 ? 4.788   -16.033 25.816  1.00 80.30 11 A 1 
ATOM 94  N N   . ALA A 1 12 ? 5.604   -19.464 21.925  1.00 91.69 12 A 1 
ATOM 95  C CA  . ALA A 1 12 ? 6.281   -19.493 20.629  1.00 89.78 12 A 1 
ATOM 96  C C   . ALA A 1 12 ? 5.289   -19.306 19.466  1.00 89.29 12 A 1 
ATOM 97  O O   . ALA A 1 12 ? 5.570   -18.538 18.549  1.00 88.85 12 A 1 
ATOM 98  C CB  . ALA A 1 12 ? 7.068   -20.800 20.508  1.00 89.65 12 A 1 
ATOM 99  N N   . LEU A 1 13 ? 4.107   -19.932 19.523  1.00 90.61 13 A 1 
ATOM 100 C CA  . LEU A 1 13 ? 3.048   -19.723 18.532  1.00 87.93 13 A 1 
ATOM 101 C C   . LEU A 1 13 ? 2.547   -18.276 18.524  1.00 87.55 13 A 1 
ATOM 102 O O   . LEU A 1 13 ? 2.402   -17.692 17.455  1.00 87.86 13 A 1 
ATOM 103 C CB  . LEU A 1 13 ? 1.874   -20.693 18.770  1.00 88.30 13 A 1 
ATOM 104 C CG  . LEU A 1 13 ? 1.592   -21.589 17.545  1.00 80.42 13 A 1 
ATOM 105 C CD1 . LEU A 1 13 ? 2.276   -22.947 17.708  1.00 77.45 13 A 1 
ATOM 106 C CD2 . LEU A 1 13 ? 0.097   -21.820 17.382  1.00 79.33 13 A 1 
ATOM 107 N N   . LEU A 1 14 ? 2.320   -17.667 19.700  1.00 89.74 14 A 1 
ATOM 108 C CA  . LEU A 1 14 ? 1.928   -16.258 19.797  1.00 86.45 14 A 1 
ATOM 109 C C   . LEU A 1 14 ? 2.998   -15.314 19.238  1.00 85.59 14 A 1 
ATOM 110 O O   . LEU A 1 14 ? 2.655   -14.316 18.611  1.00 85.21 14 A 1 
ATOM 111 C CB  . LEU A 1 14 ? 1.610   -15.878 21.255  1.00 86.80 14 A 1 
ATOM 112 C CG  . LEU A 1 14 ? 0.103   -15.715 21.517  1.00 82.11 14 A 1 
ATOM 113 C CD1 . LEU A 1 14 ? -0.508  -17.013 22.044  1.00 79.04 14 A 1 
ATOM 114 C CD2 . LEU A 1 14 ? -0.133  -14.614 22.545  1.00 80.53 14 A 1 
ATOM 115 N N   . ALA A 1 15 ? 4.274   -15.626 19.438  1.00 88.64 15 A 1 
ATOM 116 C CA  . ALA A 1 15 ? 5.381   -14.838 18.898  1.00 85.27 15 A 1 
ATOM 117 C C   . ALA A 1 15 ? 5.483   -14.947 17.365  1.00 83.48 15 A 1 
ATOM 118 O O   . ALA A 1 15 ? 5.793   -13.955 16.713  1.00 82.36 15 A 1 
ATOM 119 C CB  . ALA A 1 15 ? 6.675   -15.271 19.592  1.00 85.43 15 A 1 
ATOM 120 N N   . LEU A 1 16 ? 5.166   -16.106 16.776  1.00 87.32 16 A 1 
ATOM 121 C CA  . LEU A 1 16 ? 5.085   -16.275 15.314  1.00 83.91 16 A 1 
ATOM 122 C C   . LEU A 1 16 ? 3.902   -15.524 14.687  1.00 82.71 16 A 1 
ATOM 123 O O   . LEU A 1 16 ? 3.968   -15.148 13.520  1.00 81.09 16 A 1 
ATOM 124 C CB  . LEU A 1 16 ? 4.990   -17.770 14.946  1.00 84.42 16 A 1 
ATOM 125 C CG  . LEU A 1 16 ? 6.327   -18.380 14.496  1.00 79.39 16 A 1 
ATOM 126 C CD1 . LEU A 1 16 ? 7.075   -19.017 15.661  1.00 77.44 16 A 1 
ATOM 127 C CD2 . LEU A 1 16 ? 6.087   -19.459 13.438  1.00 77.37 16 A 1 
ATOM 128 N N   . TRP A 1 17 ? 2.825   -15.287 15.448  1.00 83.19 17 A 1 
ATOM 129 C CA  . TRP A 1 17 ? 1.676   -14.468 15.051  1.00 78.77 17 A 1 
ATOM 130 C C   . TRP A 1 17 ? 1.863   -12.978 15.377  1.00 76.66 17 A 1 
ATOM 131 O O   . TRP A 1 17 ? 0.924   -12.195 15.272  1.00 72.64 17 A 1 
ATOM 132 C CB  . TRP A 1 17 ? 0.399   -15.044 15.685  1.00 78.41 17 A 1 
ATOM 133 C CG  . TRP A 1 17 ? -0.165  -16.250 14.989  1.00 75.00 17 A 1 
ATOM 134 C CD1 . TRP A 1 17 ? 0.437   -17.444 14.829  1.00 67.25 17 A 1 
ATOM 135 C CD2 . TRP A 1 17 ? -1.470  -16.386 14.344  1.00 71.83 17 A 1 
ATOM 136 N NE1 . TRP A 1 17 ? -0.385  -18.304 14.128  1.00 62.76 17 A 1 
ATOM 137 C CE2 . TRP A 1 17 ? -1.578  -17.707 13.809  1.00 65.60 17 A 1 
ATOM 138 C CE3 . TRP A 1 17 ? -2.569  -15.528 14.162  1.00 62.98 17 A 1 
ATOM 139 C CZ2 . TRP A 1 17 ? -2.722  -18.155 13.129  1.00 64.72 17 A 1 
ATOM 140 C CZ3 . TRP A 1 17 ? -3.723  -15.964 13.482  1.00 60.36 17 A 1 
ATOM 141 C CH2 . TRP A 1 17 ? -3.803  -17.273 12.963  1.00 60.99 17 A 1 
ATOM 142 N N   . GLY A 1 18 ? 3.057   -12.589 15.795  1.00 73.95 18 A 1 
ATOM 143 C CA  . GLY A 1 18 ? 3.407   -11.186 16.009  1.00 71.07 18 A 1 
ATOM 144 C C   . GLY A 1 18 ? 3.279   -10.375 14.711  1.00 68.85 18 A 1 
ATOM 145 O O   . GLY A 1 18 ? 3.364   -10.939 13.619  1.00 66.16 18 A 1 
ATOM 146 N N   . PRO A 1 19 ? 3.062   -9.054  14.809  1.00 67.96 19 A 1 
ATOM 147 C CA  . PRO A 1 19 ? 2.906   -8.197  13.640  1.00 67.31 19 A 1 
ATOM 148 C C   . PRO A 1 19 ? 4.145   -8.311  12.747  1.00 66.38 19 A 1 
ATOM 149 O O   . PRO A 1 19 ? 5.267   -8.071  13.192  1.00 62.03 19 A 1 
ATOM 150 C CB  . PRO A 1 19 ? 2.691   -6.782  14.182  1.00 65.35 19 A 1 
ATOM 151 C CG  . PRO A 1 19 ? 3.316   -6.829  15.576  1.00 64.47 19 A 1 
ATOM 152 C CD  . PRO A 1 19 ? 3.068   -8.272  16.018  1.00 68.09 19 A 1 
ATOM 153 N N   . ASP A 1 20 ? 3.918   -8.705  11.495  1.00 61.78 20 A 1 
ATOM 154 C CA  . ASP A 1 20 ? 4.953   -8.839  10.480  1.00 63.85 20 A 1 
ATOM 155 C C   . ASP A 1 20 ? 5.785   -7.544  10.415  1.00 63.04 20 A 1 
ATOM 156 O O   . ASP A 1 20 ? 5.205   -6.455  10.274  1.00 61.29 20 A 1 
ATOM 157 C CB  . ASP A 1 20 ? 4.294   -9.132  9.114   1.00 61.68 20 A 1 
ATOM 158 C CG  . ASP A 1 20 ? 4.753   -10.450 8.514   1.00 55.51 20 A 1 
ATOM 159 O OD1 . ASP A 1 20 ? 5.965   -10.527 8.214   1.00 53.00 20 A 1 
ATOM 160 O OD2 . ASP A 1 20 ? 3.894   -11.344 8.350   1.00 53.00 20 A 1 
ATOM 161 N N   . PRO A 1 21 ? 7.125   -7.596  10.463  1.00 54.00 21 A 1 
ATOM 162 C CA  . PRO A 1 21 ? 7.965   -6.411  10.295  1.00 55.10 21 A 1 
ATOM 163 C C   . PRO A 1 21 ? 7.747   -5.721  8.937   1.00 55.39 21 A 1 
ATOM 164 O O   . PRO A 1 21 ? 8.025   -4.535  8.797   1.00 53.72 21 A 1 
ATOM 165 C CB  . PRO A 1 21 ? 9.407   -6.905  10.485  1.00 53.96 21 A 1 
ATOM 166 C CG  . PRO A 1 21 ? 9.329   -8.400  10.171  1.00 51.75 21 A 1 
ATOM 167 C CD  . PRO A 1 21 ? 7.930   -8.786  10.638  1.00 55.61 21 A 1 
ATOM 168 N N   . ALA A 1 22 ? 7.152   -6.426  7.961   1.00 53.12 22 A 1 
ATOM 169 C CA  . ALA A 1 22 ? 6.698   -5.856  6.695   1.00 54.10 22 A 1 
ATOM 170 C C   . ALA A 1 22 ? 5.607   -4.780  6.866   1.00 54.73 22 A 1 
ATOM 171 O O   . ALA A 1 22 ? 5.552   -3.829  6.083   1.00 52.72 22 A 1 
ATOM 172 C CB  . ALA A 1 22 ? 6.203   -7.008  5.813   1.00 51.73 22 A 1 
ATOM 173 N N   . ALA A 1 23 ? 4.774   -4.855  7.912   1.00 53.81 23 A 1 
ATOM 174 C CA  . ALA A 1 23 ? 3.762   -3.837  8.203   1.00 56.24 23 A 1 
ATOM 175 C C   . ALA A 1 23 ? 4.373   -2.485  8.620   1.00 56.76 23 A 1 
ATOM 176 O O   . ALA A 1 23 ? 3.756   -1.440  8.415   1.00 55.03 23 A 1 
ATOM 177 C CB  . ALA A 1 23 ? 2.817   -4.381  9.279   1.00 54.37 23 A 1 
ATOM 178 N N   . ALA A 1 24 ? 5.607   -2.479  9.144   1.00 51.14 24 A 1 
ATOM 179 C CA  . ALA A 1 24 ? 6.320   -1.245  9.471   1.00 52.45 24 A 1 
ATOM 180 C C   . ALA A 1 24 ? 6.743   -0.458  8.216   1.00 53.07 24 A 1 
ATOM 181 O O   . ALA A 1 24 ? 6.805   0.767   8.259   1.00 51.65 24 A 1 
ATOM 182 C CB  . ALA A 1 24 ? 7.518   -1.584  10.357  1.00 50.56 24 A 1 
ATOM 183 N N   . PHE A 1 25 ? 6.968   -1.135  7.084   1.00 50.10 25 A 1 
ATOM 184 C CA  . PHE A 1 25 ? 7.302   -0.482  5.814   1.00 51.75 25 A 1 
ATOM 185 C C   . PHE A 1 25 ? 6.109   0.254   5.194   1.00 51.78 25 A 1 
ATOM 186 O O   . PHE A 1 25 ? 6.286   1.287   4.551   1.00 51.01 25 A 1 
ATOM 187 C CB  . PHE A 1 25 ? 7.877   -1.517  4.835   1.00 51.10 25 A 1 
ATOM 188 C CG  . PHE A 1 25 ? 9.377   -1.387  4.664   1.00 47.71 25 A 1 
ATOM 189 C CD1 . PHE A 1 25 ? 9.896   -0.522  3.677   1.00 44.26 25 A 1 
ATOM 190 C CD2 . PHE A 1 25 ? 10.262  -2.106  5.492   1.00 43.18 25 A 1 
ATOM 191 C CE1 . PHE A 1 25 ? 11.287  -0.379  3.519   1.00 39.43 25 A 1 
ATOM 192 C CE2 . PHE A 1 25 ? 11.655  -1.962  5.337   1.00 40.24 25 A 1 
ATOM 193 C CZ  . PHE A 1 25 ? 12.170  -1.099  4.346   1.00 41.39 25 A 1 
ATOM 194 N N   . VAL A 1 26 ? 4.887   -0.232  5.423   1.00 53.23 26 A 1 
ATOM 195 C CA  . VAL A 1 26 ? 3.657   0.369   4.873   1.00 55.53 26 A 1 
ATOM 196 C C   . VAL A 1 26 ? 3.329   1.719   5.528   1.00 56.73 26 A 1 
ATOM 197 O O   . VAL A 1 26 ? 2.665   2.558   4.922   1.00 54.94 26 A 1 
ATOM 198 C CB  . VAL A 1 26 ? 2.476   -0.616  4.987   1.00 53.42 26 A 1 
ATOM 199 C CG1 . VAL A 1 26 ? 1.213   -0.094  4.282   1.00 48.87 26 A 1 
ATOM 200 C CG2 . VAL A 1 26 ? 2.809   -1.973  4.339   1.00 49.87 26 A 1 
ATOM 201 N N   . ASN A 1 27 ? 3.829   1.971   6.739   1.00 54.56 27 A 1 
ATOM 202 C CA  . ASN A 1 27 ? 3.605   3.225   7.465   1.00 56.53 27 A 1 
ATOM 203 C C   . ASN A 1 27 ? 4.646   4.321   7.177   1.00 57.42 27 A 1 
ATOM 204 O O   . ASN A 1 27 ? 4.555   5.410   7.744   1.00 56.27 27 A 1 
ATOM 205 C CB  . ASN A 1 27 ? 3.462   2.916   8.965   1.00 54.42 27 A 1 
ATOM 206 C CG  . ASN A 1 27 ? 2.052   2.487   9.327   1.00 49.00 27 A 1 
ATOM 207 O OD1 . ASN A 1 27 ? 1.063   3.008   8.845   1.00 45.89 27 A 1 
ATOM 208 N ND2 . ASN A 1 27 ? 1.903   1.541   10.218  1.00 44.68 27 A 1 
ATOM 209 N N   . GLN A 1 28 ? 5.626   4.071   6.301   1.00 69.50 28 A 1 
ATOM 210 C CA  . GLN A 1 28 ? 6.543   5.121   5.867   1.00 69.86 28 A 1 
ATOM 211 C C   . GLN A 1 28 ? 5.846   6.003   4.830   1.00 71.71 28 A 1 
ATOM 212 O O   . GLN A 1 28 ? 5.838   5.727   3.634   1.00 70.36 28 A 1 
ATOM 213 C CB  . GLN A 1 28 ? 7.873   4.541   5.363   1.00 67.23 28 A 1 
ATOM 214 C CG  . GLN A 1 28 ? 8.676   3.940   6.526   1.00 59.13 28 A 1 
ATOM 215 C CD  . GLN A 1 28 ? 10.092  3.530   6.130   1.00 57.15 28 A 1 
ATOM 216 O OE1 . GLN A 1 28 ? 10.547  3.684   5.010   1.00 51.62 28 A 1 
ATOM 217 N NE2 . GLN A 1 28 ? 10.867  3.000   7.051   1.00 47.43 28 A 1 
ATOM 218 N N   . HIS A 1 29 ? 5.234   7.084   5.305   1.00 75.43 29 A 1 
ATOM 219 C CA  . HIS A 1 29 ? 4.654   8.104   4.437   1.00 77.33 29 A 1 
ATOM 220 C C   . HIS A 1 29 ? 5.787   8.842   3.713   1.00 79.10 29 A 1 
ATOM 221 O O   . HIS A 1 29 ? 6.559   9.570   4.332   1.00 77.05 29 A 1 
ATOM 222 C CB  . HIS A 1 29 ? 3.779   9.059   5.263   1.00 75.02 29 A 1 
ATOM 223 C CG  . HIS A 1 29 ? 2.539   8.398   5.821   1.00 67.36 29 A 1 
ATOM 224 N ND1 . HIS A 1 29 ? 2.485   7.534   6.897   1.00 59.11 29 A 1 
ATOM 225 C CD2 . HIS A 1 29 ? 1.263   8.538   5.353   1.00 58.73 29 A 1 
ATOM 226 C CE1 . HIS A 1 29 ? 1.207   7.158   7.063   1.00 54.98 29 A 1 
ATOM 227 N NE2 . HIS A 1 29 ? 0.414   7.753   6.148   1.00 56.44 29 A 1 
ATOM 228 N N   . LEU A 1 30 ? 5.870   8.662   2.390   1.00 72.34 30 A 1 
ATOM 229 C CA  . LEU A 1 30 ? 6.710   9.493   1.533   1.00 75.47 30 A 1 
ATOM 230 C C   . LEU A 1 30 ? 6.129   10.908  1.543   1.00 78.95 30 A 1 
ATOM 231 O O   . LEU A 1 30 ? 5.062   11.164  0.979   1.00 78.10 30 A 1 
ATOM 232 C CB  . LEU A 1 30 ? 6.751   8.893   0.115   1.00 74.36 30 A 1 
ATOM 233 C CG  . LEU A 1 30 ? 7.678   7.669   -0.007  1.00 69.18 30 A 1 
ATOM 234 C CD1 . LEU A 1 30 ? 7.243   6.799   -1.189  1.00 63.24 30 A 1 
ATOM 235 C CD2 . LEU A 1 30 ? 9.129   8.084   -0.233  1.00 63.45 30 A 1 
ATOM 236 N N   . CYS A 1 31 ? 6.808   11.827  2.222   1.00 82.44 31 A 1 
ATOM 237 C CA  . CYS A 1 31 ? 6.356   13.203  2.378   1.00 83.86 31 A 1 
ATOM 238 C C   . CYS A 1 31 ? 7.229   14.164  1.556   1.00 86.08 31 A 1 
ATOM 239 O O   . CYS A 1 31 ? 8.446   14.023  1.480   1.00 83.19 31 A 1 
ATOM 240 C CB  . CYS A 1 31 ? 6.333   13.566  3.868   1.00 80.54 31 A 1 
ATOM 241 S SG  . CYS A 1 31 ? 4.978   12.700  4.697   1.00 73.04 31 A 1 
ATOM 242 N N   . GLY A 1 32 ? 6.602   15.180  0.985   1.00 83.93 32 A 1 
ATOM 243 C CA  . GLY A 1 32 ? 7.287   16.314  0.355   1.00 84.90 32 A 1 
ATOM 244 C C   . GLY A 1 32 ? 8.160   15.936  -0.845  1.00 87.02 32 A 1 
ATOM 245 O O   . GLY A 1 32 ? 7.681   15.323  -1.801  1.00 85.25 32 A 1 
ATOM 246 N N   . SER A 1 33 ? 9.428   16.328  -0.811  1.00 87.73 33 A 1 
ATOM 247 C CA  . SER A 1 33 ? 10.367  16.191  -1.932  1.00 89.51 33 A 1 
ATOM 248 C C   . SER A 1 33 ? 10.563  14.751  -2.402  1.00 89.64 33 A 1 
ATOM 249 O O   . SER A 1 33 ? 10.584  14.516  -3.608  1.00 87.53 33 A 1 
ATOM 250 C CB  . SER A 1 33 ? 11.727  16.795  -1.556  1.00 88.38 33 A 1 
ATOM 251 O OG  . SER A 1 33 ? 12.191  16.252  -0.332  1.00 79.15 33 A 1 
ATOM 252 N N   . HIS A 1 34 ? 10.603  13.775  -1.487  1.00 89.63 34 A 1 
ATOM 253 C CA  . HIS A 1 34 ? 10.770  12.359  -1.844  1.00 89.78 34 A 1 
ATOM 254 C C   . HIS A 1 34 ? 9.595   11.800  -2.656  1.00 90.69 34 A 1 
ATOM 255 O O   . HIS A 1 34 ? 9.790   10.975  -3.543  1.00 89.80 34 A 1 
ATOM 256 C CB  . HIS A 1 34 ? 10.959  11.532  -0.570  1.00 89.15 34 A 1 
ATOM 257 C CG  . HIS A 1 34 ? 12.277  11.785  0.106   1.00 84.22 34 A 1 
ATOM 258 N ND1 . HIS A 1 34 ? 13.517  11.615  -0.468  1.00 71.24 34 A 1 
ATOM 259 C CD2 . HIS A 1 34 ? 12.478  12.211  1.391   1.00 70.14 34 A 1 
ATOM 260 C CE1 . HIS A 1 34 ? 14.439  11.934  0.456   1.00 70.12 34 A 1 
ATOM 261 N NE2 . HIS A 1 34 ? 13.855  12.301  1.606   1.00 72.80 34 A 1 
ATOM 262 N N   . LEU A 1 35 ? 8.373   12.257  -2.391  1.00 88.82 35 A 1 
ATOM 263 C CA  . LEU A 1 35 ? 7.201   11.881  -3.187  1.00 89.15 35 A 1 
ATOM 264 C C   . LEU A 1 35 ? 7.283   12.469  -4.602  1.00 90.37 35 A 1 
ATOM 265 O O   . LEU A 1 35 ? 7.015   11.769  -5.573  1.00 90.19 35 A 1 
ATOM 266 C CB  . LEU A 1 35 ? 5.923   12.328  -2.460  1.00 88.08 35 A 1 
ATOM 267 C CG  . LEU A 1 35 ? 4.622   11.986  -3.216  1.00 84.18 35 A 1 
ATOM 268 C CD1 . LEU A 1 35 ? 4.414   10.479  -3.366  1.00 79.00 35 A 1 
ATOM 269 C CD2 . LEU A 1 35 ? 3.429   12.571  -2.468  1.00 78.72 35 A 1 
ATOM 270 N N   . VAL A 1 36 ? 7.672   13.734  -4.722  1.00 88.88 36 A 1 
ATOM 271 C CA  . VAL A 1 36 ? 7.820   14.416  -6.019  1.00 88.01 36 A 1 
ATOM 272 C C   . VAL A 1 36 ? 8.909   13.751  -6.859  1.00 88.79 36 A 1 
ATOM 273 O O   . VAL A 1 36 ? 8.694   13.494  -8.040  1.00 88.95 36 A 1 
ATOM 274 C CB  . VAL A 1 36 ? 8.111   15.917  -5.824  1.00 86.04 36 A 1 
ATOM 275 C CG1 . VAL A 1 36 ? 8.321   16.639  -7.162  1.00 81.23 36 A 1 
ATOM 276 C CG2 . VAL A 1 36 ? 6.939   16.607  -5.105  1.00 81.19 36 A 1 
ATOM 277 N N   . GLU A 1 37 ? 10.035  13.404  -6.249  1.00 87.08 37 A 1 
ATOM 278 C CA  . GLU A 1 37 ? 11.144  12.721  -6.920  1.00 87.58 37 A 1 
ATOM 279 C C   . GLU A 1 37 ? 10.749  11.314  -7.395  1.00 88.46 37 A 1 
ATOM 280 O O   . GLU A 1 37 ? 10.997  10.956  -8.546  1.00 89.40 37 A 1 
ATOM 281 C CB  . GLU A 1 37 ? 12.340  12.710  -5.962  1.00 87.94 37 A 1 
ATOM 282 C CG  . GLU A 1 37 ? 13.634  12.231  -6.634  1.00 80.22 37 A 1 
ATOM 283 C CD  . GLU A 1 37 ? 14.874  12.509  -5.764  1.00 74.28 37 A 1 
ATOM 284 O OE1 . GLU A 1 37 ? 15.976  12.545  -6.342  1.00 65.17 37 A 1 
ATOM 285 O OE2 . GLU A 1 37 ? 14.714  12.702  -4.536  1.00 65.51 37 A 1 
ATOM 286 N N   . ALA A 1 38 ? 10.038  10.544  -6.570  1.00 90.77 38 A 1 
ATOM 287 C CA  . ALA A 1 38 ? 9.508   9.238   -6.968  1.00 90.14 38 A 1 
ATOM 288 C C   . ALA A 1 38 ? 8.515   9.345   -8.140  1.00 90.81 38 A 1 
ATOM 289 O O   . ALA A 1 38 ? 8.579   8.561   -9.086  1.00 90.04 38 A 1 
ATOM 290 C CB  . ALA A 1 38 ? 8.861   8.579   -5.742  1.00 89.44 38 A 1 
ATOM 291 N N   . LEU A 1 39 ? 7.621   10.333  -8.122  1.00 90.38 39 A 1 
ATOM 292 C CA  . LEU A 1 39 ? 6.686   10.593  -9.224  1.00 89.36 39 A 1 
ATOM 293 C C   . LEU A 1 39 ? 7.417   10.998  -10.507 1.00 89.97 39 A 1 
ATOM 294 O O   . LEU A 1 39 ? 7.057   10.525  -11.583 1.00 89.32 39 A 1 
ATOM 295 C CB  . LEU A 1 39 ? 5.683   11.682  -8.810  1.00 88.36 39 A 1 
ATOM 296 C CG  . LEU A 1 39 ? 4.639   11.216  -7.783  1.00 83.23 39 A 1 
ATOM 297 C CD1 . LEU A 1 39 ? 3.853   12.425  -7.282  1.00 77.97 39 A 1 
ATOM 298 C CD2 . LEU A 1 39 ? 3.656   10.203  -8.368  1.00 78.31 39 A 1 
ATOM 299 N N   . TYR A 1 40 ? 8.454   11.817  -10.407 1.00 89.69 40 A 1 
ATOM 300 C CA  . TYR A 1 40 ? 9.270   12.219  -11.549 1.00 88.68 40 A 1 
ATOM 301 C C   . TYR A 1 40 ? 10.007  11.028  -12.172 1.00 89.49 40 A 1 
ATOM 302 O O   . TYR A 1 40 ? 9.991   10.871  -13.391 1.00 88.93 40 A 1 
ATOM 303 C CB  . TYR A 1 40 ? 10.244  13.317  -11.117 1.00 87.52 40 A 1 
ATOM 304 C CG  . TYR A 1 40 ? 10.959  13.955  -12.290 1.00 81.36 40 A 1 
ATOM 305 C CD1 . TYR A 1 40 ? 12.243  13.516  -12.669 1.00 75.35 40 A 1 
ATOM 306 C CD2 . TYR A 1 40 ? 10.314  14.969  -13.030 1.00 74.21 40 A 1 
ATOM 307 C CE1 . TYR A 1 40 ? 12.885  14.095  -13.783 1.00 70.77 40 A 1 
ATOM 308 C CE2 . TYR A 1 40 ? 10.951  15.546  -14.145 1.00 71.45 40 A 1 
ATOM 309 C CZ  . TYR A 1 40 ? 12.239  15.106  -14.521 1.00 71.88 40 A 1 
ATOM 310 O OH  . TYR A 1 40 ? 12.855  15.660  -15.602 1.00 70.41 40 A 1 
ATOM 311 N N   . LEU A 1 41 ? 10.572  10.131  -11.353 1.00 90.07 41 A 1 
ATOM 312 C CA  . LEU A 1 41 ? 11.235  8.910   -11.825 1.00 90.11 41 A 1 
ATOM 313 C C   . LEU A 1 41 ? 10.271  7.952   -12.539 1.00 90.37 41 A 1 
ATOM 314 O O   . LEU A 1 41 ? 10.636  7.346   -13.545 1.00 89.43 41 A 1 
ATOM 315 C CB  . LEU A 1 41 ? 11.896  8.202   -10.629 1.00 90.30 41 A 1 
ATOM 316 C CG  . LEU A 1 41 ? 13.185  8.878   -10.123 1.00 81.38 41 A 1 
ATOM 317 C CD1 . LEU A 1 41 ? 13.607  8.238   -8.803  1.00 75.71 41 A 1 
ATOM 318 C CD2 . LEU A 1 41 ? 14.340  8.731   -11.115 1.00 75.77 41 A 1 
ATOM 319 N N   . VAL A 1 42 ? 9.039   7.803   -12.046 1.00 91.40 42 A 1 
ATOM 320 C CA  . VAL A 1 42 ? 8.045   6.870   -12.612 1.00 90.52 42 A 1 
ATOM 321 C C   . VAL A 1 42 ? 7.352   7.441   -13.853 1.00 90.47 42 A 1 
ATOM 322 O O   . VAL A 1 42 ? 7.146   6.724   -14.831 1.00 88.90 42 A 1 
ATOM 323 C CB  . VAL A 1 42 ? 7.018   6.470   -11.536 1.00 89.52 42 A 1 
ATOM 324 C CG1 . VAL A 1 42 ? 5.879   5.605   -12.103 1.00 84.10 42 A 1 
ATOM 325 C CG2 . VAL A 1 42 ? 7.687   5.642   -10.426 1.00 83.81 42 A 1 
ATOM 326 N N   . CYS A 1 43 ? 6.963   8.707   -13.817 1.00 91.69 43 A 1 
ATOM 327 C CA  . CYS A 1 43 ? 6.186   9.340   -14.889 1.00 90.62 43 A 1 
ATOM 328 C C   . CYS A 1 43 ? 7.066   9.987   -15.963 1.00 90.25 43 A 1 
ATOM 329 O O   . CYS A 1 43 ? 6.610   10.146  -17.098 1.00 87.58 43 A 1 
ATOM 330 C CB  . CYS A 1 43 ? 5.218   10.360  -14.273 1.00 89.72 43 A 1 
ATOM 331 S SG  . CYS A 1 43 ? 4.056   9.552   -13.138 1.00 87.53 43 A 1 
ATOM 332 N N   . GLY A 1 44 ? 8.308   10.349  -15.641 1.00 90.20 44 A 1 
ATOM 333 C CA  . GLY A 1 44 ? 9.238   11.040  -16.531 1.00 87.85 44 A 1 
ATOM 334 C C   . GLY A 1 44 ? 8.614   12.283  -17.172 1.00 87.08 44 A 1 
ATOM 335 O O   . GLY A 1 44 ? 7.874   13.030  -16.534 1.00 82.81 44 A 1 
ATOM 336 N N   . GLU A 1 45 ? 8.860   12.464  -18.468 1.00 82.35 45 A 1 
ATOM 337 C CA  . GLU A 1 45 ? 8.354   13.607  -19.250 1.00 82.72 45 A 1 
ATOM 338 C C   . GLU A 1 45 ? 6.841   13.560  -19.532 1.00 81.36 45 A 1 
ATOM 339 O O   . GLU A 1 45 ? 6.263   14.546  -19.983 1.00 77.74 45 A 1 
ATOM 340 C CB  . GLU A 1 45 ? 9.112   13.711  -20.584 1.00 80.83 45 A 1 
ATOM 341 C CG  . GLU A 1 45 ? 10.628  13.883  -20.393 1.00 71.73 45 A 1 
ATOM 342 C CD  . GLU A 1 45 ? 11.344  14.288  -21.695 1.00 65.78 45 A 1 
ATOM 343 O OE1 . GLU A 1 45 ? 12.459  14.825  -21.578 1.00 59.03 45 A 1 
ATOM 344 O OE2 . GLU A 1 45 ? 10.773  14.045  -22.783 1.00 58.63 45 A 1 
ATOM 345 N N   . ARG A 1 46 ? 6.173   12.430  -19.256 1.00 86.14 46 A 1 
ATOM 346 C CA  . ARG A 1 46 ? 4.716   12.305  -19.483 1.00 84.98 46 A 1 
ATOM 347 C C   . ARG A 1 46 ? 3.888   13.105  -18.478 1.00 84.38 46 A 1 
ATOM 348 O O   . ARG A 1 46 ? 2.694   13.289  -18.699 1.00 78.54 46 A 1 
ATOM 349 C CB  . ARG A 1 46 ? 4.293   10.828  -19.483 1.00 84.39 46 A 1 
ATOM 350 C CG  . ARG A 1 46 ? 4.971   10.035  -20.608 1.00 77.44 46 A 1 
ATOM 351 C CD  . ARG A 1 46 ? 4.470   8.591   -20.606 1.00 72.34 46 A 1 
ATOM 352 N NE  . ARG A 1 46 ? 5.116   7.796   -21.668 1.00 64.48 46 A 1 
ATOM 353 C CZ  . ARG A 1 46 ? 4.923   6.516   -21.911 1.00 58.14 46 A 1 
ATOM 354 N NH1 . ARG A 1 46 ? 4.086   5.800   -21.205 1.00 54.77 46 A 1 
ATOM 355 N NH2 . ARG A 1 46 ? 5.570   5.922   -22.879 1.00 53.64 46 A 1 
ATOM 356 N N   . GLY A 1 47 ? 4.518   13.562  -17.400 1.00 82.67 47 A 1 
ATOM 357 C CA  . GLY A 1 47 ? 3.860   14.282  -16.317 1.00 81.73 47 A 1 
ATOM 358 C C   . GLY A 1 47 ? 2.979   13.387  -15.448 1.00 82.65 47 A 1 
ATOM 359 O O   . GLY A 1 47 ? 2.709   12.221  -15.749 1.00 78.38 47 A 1 
ATOM 360 N N   . PHE A 1 48 ? 2.529   13.945  -14.329 1.00 79.92 48 A 1 
ATOM 361 C CA  . PHE A 1 48 ? 1.645   13.279  -13.381 1.00 80.58 48 A 1 
ATOM 362 C C   . PHE A 1 48 ? 0.252   13.916  -13.418 1.00 81.60 48 A 1 
ATOM 363 O O   . PHE A 1 48 ? 0.089   15.095  -13.095 1.00 79.60 48 A 1 
ATOM 364 C CB  . PHE A 1 48 ? 2.264   13.324  -11.982 1.00 78.41 48 A 1 
ATOM 365 C CG  . PHE A 1 48 ? 1.369   12.730  -10.912 1.00 74.48 48 A 1 
ATOM 366 C CD1 . PHE A 1 48 ? 0.683   13.575  -10.017 1.00 70.55 48 A 1 
ATOM 367 C CD2 . PHE A 1 48 ? 1.198   11.337  -10.828 1.00 69.25 48 A 1 
ATOM 368 C CE1 . PHE A 1 48 ? -0.156  13.026  -9.034  1.00 64.18 48 A 1 
ATOM 369 C CE2 . PHE A 1 48 ? 0.353   10.786  -9.848  1.00 64.89 48 A 1 
ATOM 370 C CZ  . PHE A 1 48 ? -0.322  11.631  -8.945  1.00 65.02 48 A 1 
ATOM 371 N N   . PHE A 1 49 ? -0.746  13.114  -13.775 1.00 79.38 49 A 1 
ATOM 372 C CA  . PHE A 1 49 ? -2.144  13.546  -13.800 1.00 79.06 49 A 1 
ATOM 373 C C   . PHE A 1 49 ? -2.938  12.760  -12.759 1.00 79.30 49 A 1 
ATOM 374 O O   . PHE A 1 49 ? -3.080  11.539  -12.853 1.00 78.03 49 A 1 
ATOM 375 C CB  . PHE A 1 49 ? -2.724  13.386  -15.211 1.00 77.77 49 A 1 
ATOM 376 C CG  . PHE A 1 49 ? -2.018  14.244  -16.247 1.00 71.03 49 A 1 
ATOM 377 C CD1 . PHE A 1 49 ? -2.371  15.599  -16.405 1.00 66.06 49 A 1 
ATOM 378 C CD2 . PHE A 1 49 ? -0.982  13.697  -17.029 1.00 64.99 49 A 1 
ATOM 379 C CE1 . PHE A 1 49 ? -1.691  16.399  -17.341 1.00 58.13 49 A 1 
ATOM 380 C CE2 . PHE A 1 49 ? -0.299  14.499  -17.963 1.00 59.95 49 A 1 
ATOM 381 C CZ  . PHE A 1 49 ? -0.657  15.850  -18.119 1.00 60.08 49 A 1 
ATOM 382 N N   . TYR A 1 50 ? -3.465  13.464  -11.759 1.00 76.64 50 A 1 
ATOM 383 C CA  . TYR A 1 50 ? -4.312  12.883  -10.729 1.00 77.21 50 A 1 
ATOM 384 C C   . TYR A 1 50 ? -5.772  13.285  -10.953 1.00 78.80 50 A 1 
ATOM 385 O O   . TYR A 1 50 ? -6.137  14.458  -10.860 1.00 78.34 50 A 1 
ATOM 386 C CB  . TYR A 1 50 ? -3.808  13.291  -9.341  1.00 75.46 50 A 1 
ATOM 387 C CG  . TYR A 1 50 ? -4.663  12.736  -8.217  1.00 72.62 50 A 1 
ATOM 388 C CD1 . TYR A 1 50 ? -5.553  13.581  -7.518  1.00 70.60 50 A 1 
ATOM 389 C CD2 . TYR A 1 50 ? -4.594  11.368  -7.886  1.00 68.75 50 A 1 
ATOM 390 C CE1 . TYR A 1 50 ? -6.357  13.062  -6.488  1.00 65.10 50 A 1 
ATOM 391 C CE2 . TYR A 1 50 ? -5.401  10.843  -6.861  1.00 66.08 50 A 1 
ATOM 392 C CZ  . TYR A 1 50 ? -6.283  11.691  -6.158  1.00 67.08 50 A 1 
ATOM 393 O OH  . TYR A 1 50 ? -7.068  11.192  -5.162  1.00 64.89 50 A 1 
ATOM 394 N N   . THR A 1 51 ? -6.612  12.282  -11.216 1.00 74.96 51 A 1 
ATOM 395 C CA  . THR A 1 51 ? -8.070  12.443  -11.229 1.00 76.11 51 A 1 
ATOM 396 C C   . THR A 1 51 ? -8.661  11.836  -9.959  1.00 76.36 51 A 1 
ATOM 397 O O   . THR A 1 51 ? -8.489  10.637  -9.709  1.00 75.18 51 A 1 
ATOM 398 C CB  . THR A 1 51 ? -8.701  11.843  -12.496 1.00 74.00 51 A 1 
ATOM 399 O OG1 . THR A 1 51 ? -8.097  10.624  -12.846 1.00 64.72 51 A 1 
ATOM 400 C CG2 . THR A 1 51 ? -8.514  12.771  -13.694 1.00 64.49 51 A 1 
ATOM 401 N N   . PRO A 1 52 ? -9.346  12.636  -9.123  1.00 75.69 52 A 1 
ATOM 402 C CA  . PRO A 1 52 ? -10.018 12.144  -7.929  1.00 77.11 52 A 1 
ATOM 403 C C   . PRO A 1 52 ? -11.002 11.021  -8.273  1.00 78.27 52 A 1 
ATOM 404 O O   . PRO A 1 52 ? -11.704 11.089  -9.281  1.00 75.93 52 A 1 
ATOM 405 C CB  . PRO A 1 52 ? -10.741 13.352  -7.319  1.00 74.94 52 A 1 
ATOM 406 C CG  . PRO A 1 52 ? -9.964  14.552  -7.853  1.00 71.79 52 A 1 
ATOM 407 C CD  . PRO A 1 52 ? -9.496  14.082  -9.231  1.00 75.71 52 A 1 
ATOM 408 N N   . LYS A 1 53 ? -11.096 10.004  -7.407  1.00 69.93 53 A 1 
ATOM 409 C CA  . LYS A 1 53 ? -11.973 8.840   -7.609  1.00 71.17 53 A 1 
ATOM 410 C C   . LYS A 1 53 ? -13.439 9.240   -7.824  1.00 70.72 53 A 1 
ATOM 411 O O   . LYS A 1 53 ? -14.092 8.700   -8.711  1.00 69.42 53 A 1 
ATOM 412 C CB  . LYS A 1 53 ? -11.802 7.890   -6.414  1.00 68.90 53 A 1 
ATOM 413 C CG  . LYS A 1 53 ? -12.497 6.546   -6.658  1.00 60.63 53 A 1 
ATOM 414 C CD  . LYS A 1 53 ? -12.314 5.585   -5.478  1.00 57.49 53 A 1 
ATOM 415 C CE  . LYS A 1 53 ? -13.116 4.316   -5.781  1.00 52.14 53 A 1 
ATOM 416 N NZ  . LYS A 1 53 ? -13.162 3.381   -4.635  1.00 45.66 53 A 1 
ATOM 417 N N   . THR A 1 54 ? -13.906 10.254  -7.108  1.00 73.73 54 A 1 
ATOM 418 C CA  . THR A 1 54 ? -15.266 10.807  -7.225  1.00 74.58 54 A 1 
ATOM 419 C C   . THR A 1 54 ? -15.576 11.356  -8.618  1.00 73.95 54 A 1 
ATOM 420 O O   . THR A 1 54 ? -16.703 11.249  -9.086  1.00 71.22 54 A 1 
ATOM 421 C CB  . THR A 1 54 ? -15.456 11.942  -6.215  1.00 72.22 54 A 1 
ATOM 422 O OG1 . THR A 1 54 ? -14.404 12.880  -6.332  1.00 62.25 54 A 1 
ATOM 423 C CG2 . THR A 1 54 ? -15.435 11.431  -4.773  1.00 61.21 54 A 1 
ATOM 424 N N   . ARG A 1 55 ? -14.577 11.907  -9.308  1.00 68.62 55 A 1 
ATOM 425 C CA  . ARG A 1 55 ? -14.734 12.404  -10.677 1.00 69.67 55 A 1 
ATOM 426 C C   . ARG A 1 55 ? -14.833 11.257  -11.685 1.00 70.44 55 A 1 
ATOM 427 O O   . ARG A 1 55 ? -15.660 11.335  -12.584 1.00 69.55 55 A 1 
ATOM 428 C CB  . ARG A 1 55 ? -13.599 13.380  -11.005 1.00 67.79 55 A 1 
ATOM 429 C CG  . ARG A 1 55 ? -13.775 13.979  -12.413 1.00 58.70 55 A 1 
ATOM 430 C CD  . ARG A 1 55 ? -12.681 15.002  -12.719 1.00 58.49 55 A 1 
ATOM 431 N NE  . ARG A 1 55 ? -12.792 15.451  -14.112 1.00 53.89 55 A 1 
ATOM 432 C CZ  . ARG A 1 55 ? -12.128 16.432  -14.695 1.00 48.19 55 A 1 
ATOM 433 N NH1 . ARG A 1 55 ? -11.244 17.151  -14.052 1.00 46.55 55 A 1 
ATOM 434 N NH2 . ARG A 1 55 ? -12.354 16.688  -15.948 1.00 45.40 55 A 1 
ATOM 435 N N   . ARG A 1 56 ? -14.045 10.183  -11.518 1.00 63.07 56 A 1 
ATOM 436 C CA  . ARG A 1 56 ? -14.121 8.998   -12.395 1.00 64.43 56 A 1 
ATOM 437 C C   . ARG A 1 56 ? -15.477 8.306   -12.285 1.00 65.53 56 A 1 
ATOM 438 O O   . ARG A 1 56 ? -16.078 8.002   -13.305 1.00 66.38 56 A 1 
ATOM 439 C CB  . ARG A 1 56 ? -13.011 7.989   -12.074 1.00 62.61 56 A 1 
ATOM 440 C CG  . ARG A 1 56 ? -11.604 8.543   -12.323 1.00 55.85 56 A 1 
ATOM 441 C CD  . ARG A 1 56 ? -10.583 7.424   -12.091 1.00 53.50 56 A 1 
ATOM 442 N NE  . ARG A 1 56 ? -9.230  7.961   -11.892 1.00 50.37 56 A 1 
ATOM 443 C CZ  . ARG A 1 56 ? -8.189  7.308   -11.418 1.00 44.88 56 A 1 
ATOM 444 N NH1 . ARG A 1 56 ? -8.235  6.030   -11.151 1.00 44.36 56 A 1 
ATOM 445 N NH2 . ARG A 1 56 ? -7.072  7.936   -11.193 1.00 43.60 56 A 1 
ATOM 446 N N   . GLU A 1 57 ? -15.977 8.122   -11.080 1.00 66.72 57 A 1 
ATOM 447 C CA  . GLU A 1 57 ? -17.303 7.527   -10.844 1.00 68.67 57 A 1 
ATOM 448 C C   . GLU A 1 57 ? -18.430 8.373   -11.469 1.00 68.00 57 A 1 
ATOM 449 O O   . GLU A 1 57 ? -19.392 7.825   -12.006 1.00 67.70 57 A 1 
ATOM 450 C CB  . GLU A 1 57 ? -17.519 7.354   -9.328  1.00 67.08 57 A 1 
ATOM 451 C CG  . GLU A 1 57 ? -16.646 6.224   -8.743  1.00 57.63 57 A 1 
ATOM 452 C CD  . GLU A 1 57 ? -16.632 6.152   -7.198  1.00 53.23 57 A 1 
ATOM 453 O OE1 . GLU A 1 57 ? -16.145 5.123   -6.664  1.00 50.94 57 A 1 
ATOM 454 O OE2 . GLU A 1 57 ? -16.990 7.146   -6.533  1.00 49.29 57 A 1 
ATOM 455 N N   . ALA A 1 58 ? -18.306 9.696   -11.470 1.00 72.87 58 A 1 
ATOM 456 C CA  . ALA A 1 58 ? -19.258 10.587  -12.131 1.00 72.46 58 A 1 
ATOM 457 C C   . ALA A 1 58 ? -19.170 10.533  -13.670 1.00 71.96 58 A 1 
ATOM 458 O O   . ALA A 1 58 ? -20.203 10.620  -14.333 1.00 70.00 58 A 1 
ATOM 459 C CB  . ALA A 1 58 ? -19.043 12.011  -11.607 1.00 70.41 58 A 1 
ATOM 460 N N   . GLU A 1 59 ? -17.972 10.376  -14.246 1.00 64.75 59 A 1 
ATOM 461 C CA  . GLU A 1 59 ? -17.773 10.230  -15.696 1.00 66.54 59 A 1 
ATOM 462 C C   . GLU A 1 59 ? -18.291 8.874   -16.208 1.00 65.63 59 A 1 
ATOM 463 O O   . GLU A 1 59 ? -19.008 8.850   -17.209 1.00 65.37 59 A 1 
ATOM 464 C CB  . GLU A 1 59 ? -16.294 10.472  -16.076 1.00 66.28 59 A 1 
ATOM 465 C CG  . GLU A 1 59 ? -15.953 11.973  -16.113 1.00 57.47 59 A 1 
ATOM 466 C CD  . GLU A 1 59 ? -14.470 12.300  -16.373 1.00 53.79 59 A 1 
ATOM 467 O OE1 . GLU A 1 59 ? -14.134 12.676  -17.508 1.00 50.48 59 A 1 
ATOM 468 O OE2 . GLU A 1 59 ? -13.667 12.292  -15.400 1.00 49.21 59 A 1 
ATOM 469 N N   . ASP A 1 60 ? -18.048 7.767   -15.497 1.00 69.41 60 A 1 
ATOM 470 C CA  . ASP A 1 60 ? -18.580 6.438   -15.855 1.00 70.64 60 A 1 
ATOM 471 C C   . ASP A 1 60 ? -20.119 6.405   -15.848 1.00 69.10 60 A 1 
ATOM 472 O O   . ASP A 1 60 ? -20.744 5.827   -16.742 1.00 68.28 60 A 1 
ATOM 473 C CB  . ASP A 1 60 ? -18.036 5.363   -14.887 1.00 68.97 60 A 1 
ATOM 474 C CG  . ASP A 1 60 ? -16.665 4.789   -15.281 1.00 59.87 60 A 1 
ATOM 475 O OD1 . ASP A 1 60 ? -16.363 4.731   -16.494 1.00 55.49 60 A 1 
ATOM 476 O OD2 . ASP A 1 60 ? -15.933 4.365   -14.353 1.00 56.49 60 A 1 
ATOM 477 N N   . LEU A 1 61 ? -20.762 7.073   -14.882 1.00 66.87 61 A 1 
ATOM 478 C CA  . LEU A 1 61 ? -22.224 7.189   -14.833 1.00 68.20 61 A 1 
ATOM 479 C C   . LEU A 1 61 ? -22.789 7.993   -16.012 1.00 69.01 61 A 1 
ATOM 480 O O   . LEU A 1 61 ? -23.855 7.652   -16.526 1.00 66.73 61 A 1 
ATOM 481 C CB  . LEU A 1 61 ? -22.640 7.821   -13.496 1.00 67.14 61 A 1 
ATOM 482 C CG  . LEU A 1 61 ? -22.559 6.851   -12.303 1.00 59.18 61 A 1 
ATOM 483 C CD1 . LEU A 1 61 ? -22.696 7.637   -11.001 1.00 54.53 61 A 1 
ATOM 484 C CD2 . LEU A 1 61 ? -23.670 5.801   -12.336 1.00 56.73 61 A 1 
ATOM 485 N N   . GLN A 1 62 ? -22.085 9.032   -16.471 1.00 69.34 62 A 1 
ATOM 486 C CA  . GLN A 1 62 ? -22.511 9.827   -17.628 1.00 70.90 62 A 1 
ATOM 487 C C   . GLN A 1 62 ? -22.343 9.060   -18.945 1.00 69.40 62 A 1 
ATOM 488 O O   . GLN A 1 62 ? -23.242 9.107   -19.783 1.00 68.93 62 A 1 
ATOM 489 C CB  . GLN A 1 62 ? -21.742 11.154  -17.675 1.00 69.88 62 A 1 
ATOM 490 C CG  . GLN A 1 62 ? -22.243 12.131  -16.603 1.00 60.89 62 A 1 
ATOM 491 C CD  . GLN A 1 62 ? -21.462 13.442  -16.559 1.00 56.54 62 A 1 
ATOM 492 O OE1 . GLN A 1 62 ? -20.786 13.859  -17.484 1.00 55.02 62 A 1 
ATOM 493 N NE2 . GLN A 1 62 ? -21.545 14.181  -15.476 1.00 48.23 62 A 1 
ATOM 494 N N   . VAL A 1 63 ? -21.245 8.309   -19.124 1.00 68.57 63 A 1 
ATOM 495 C CA  . VAL A 1 63 ? -21.015 7.487   -20.326 1.00 70.63 63 A 1 
ATOM 496 C C   . VAL A 1 63 ? -22.053 6.362   -20.423 1.00 70.30 63 A 1 
ATOM 497 O O   . VAL A 1 63 ? -22.650 6.174   -21.482 1.00 66.14 63 A 1 
ATOM 498 C CB  . VAL A 1 63 ? -19.570 6.951   -20.349 1.00 67.96 63 A 1 
ATOM 499 C CG1 . VAL A 1 63 ? -19.328 5.997   -21.531 1.00 59.93 63 A 1 
ATOM 500 C CG2 . VAL A 1 63 ? -18.566 8.104   -20.504 1.00 62.95 63 A 1 
ATOM 501 N N   . GLY A 1 64 ? -22.357 5.674   -19.316 1.00 70.94 64 A 1 
ATOM 502 C CA  . GLY A 1 64 ? -23.393 4.633   -19.285 1.00 71.81 64 A 1 
ATOM 503 C C   . GLY A 1 64 ? -24.809 5.152   -19.572 1.00 69.78 64 A 1 
ATOM 504 O O   . GLY A 1 64 ? -25.634 4.430   -20.134 1.00 67.45 64 A 1 
ATOM 505 N N   . GLN A 1 65 ? -25.106 6.405   -19.258 1.00 63.71 65 A 1 
ATOM 506 C CA  . GLN A 1 65 ? -26.415 7.018   -19.526 1.00 64.33 65 A 1 
ATOM 507 C C   . GLN A 1 65 ? -26.581 7.459   -20.994 1.00 62.29 65 A 1 
ATOM 508 O O   . GLN A 1 65 ? -27.702 7.462   -21.501 1.00 62.89 65 A 1 
ATOM 509 C CB  . GLN A 1 65 ? -26.623 8.167   -18.528 1.00 62.51 65 A 1 
ATOM 510 C CG  . GLN A 1 65 ? -28.099 8.563   -18.398 1.00 53.54 65 A 1 
ATOM 511 C CD  . GLN A 1 65 ? -28.351 9.493   -17.206 1.00 51.37 65 A 1 
ATOM 512 O OE1 . GLN A 1 65 ? -27.550 10.331  -16.831 1.00 49.08 65 A 1 
ATOM 513 N NE2 . GLN A 1 65 ? -29.492 9.387   -16.549 1.00 43.79 65 A 1 
ATOM 514 N N   . VAL A 1 66 ? -25.478 7.780   -21.694 1.00 62.36 66 A 1 
ATOM 515 C CA  . VAL A 1 66 ? -25.503 8.134   -23.127 1.00 66.76 66 A 1 
ATOM 516 C C   . VAL A 1 66 ? -25.686 6.894   -24.013 1.00 65.84 66 A 1 
ATOM 517 O O   . VAL A 1 66 ? -26.391 6.973   -25.015 1.00 63.17 66 A 1 
ATOM 518 C CB  . VAL A 1 66 ? -24.246 8.946   -23.505 1.00 64.10 66 A 1 
ATOM 519 C CG1 . VAL A 1 66 ? -24.155 9.246   -25.008 1.00 56.17 66 A 1 
ATOM 520 C CG2 . VAL A 1 66 ? -24.247 10.311  -22.796 1.00 58.67 66 A 1 
ATOM 521 N N   . GLU A 1 67 ? -25.144 5.725   -23.632 1.00 63.73 67 A 1 
ATOM 522 C CA  . GLU A 1 67 ? -25.351 4.465   -24.377 1.00 66.92 67 A 1 
ATOM 523 C C   . GLU A 1 67 ? -26.770 3.882   -24.227 1.00 64.48 67 A 1 
ATOM 524 O O   . GLU A 1 67 ? -27.228 3.158   -25.113 1.00 65.99 67 A 1 
ATOM 525 C CB  . GLU A 1 67 ? -24.301 3.413   -23.976 1.00 65.91 67 A 1 
ATOM 526 C CG  . GLU A 1 67 ? -23.012 3.540   -24.798 1.00 58.06 67 A 1 
ATOM 527 C CD  . GLU A 1 67 ? -22.135 2.274   -24.673 1.00 55.74 67 A 1 
ATOM 528 O OE1 . GLU A 1 67 ? -22.158 1.451   -25.608 1.00 49.65 67 A 1 
ATOM 529 O OE2 . GLU A 1 67 ? -21.439 2.143   -23.632 1.00 51.69 67 A 1 
ATOM 530 N N   . LEU A 1 68 ? -27.492 4.190   -23.162 1.00 64.70 68 A 1 
ATOM 531 C CA  . LEU A 1 68 ? -28.866 3.704   -22.926 1.00 66.05 68 A 1 
ATOM 532 C C   . LEU A 1 68 ? -29.963 4.610   -23.511 1.00 64.52 68 A 1 
ATOM 533 O O   . LEU A 1 68 ? -31.138 4.249   -23.464 1.00 60.82 68 A 1 
ATOM 534 C CB  . LEU A 1 68 ? -29.036 3.473   -21.411 1.00 65.63 68 A 1 
ATOM 535 C CG  . LEU A 1 68 ? -28.705 2.025   -21.005 1.00 58.97 68 A 1 
ATOM 536 C CD1 . LEU A 1 68 ? -28.072 1.977   -19.617 1.00 53.85 68 A 1 
ATOM 537 C CD2 . LEU A 1 68 ? -29.975 1.167   -20.971 1.00 58.55 68 A 1 
ATOM 538 N N   . GLY A 1 69 ? -29.599 5.777   -24.046 1.00 57.56 69 A 1 
ATOM 539 C CA  . GLY A 1 69 ? -30.539 6.780   -24.566 1.00 60.48 69 A 1 
ATOM 540 C C   . GLY A 1 69 ? -30.558 6.929   -26.095 1.00 56.19 69 A 1 
ATOM 541 O O   . GLY A 1 69 ? -31.177 7.872   -26.580 1.00 53.28 69 A 1 
ATOM 542 N N   . GLY A 1 70 ? -29.868 6.029   -26.832 1.00 55.97 70 A 1 
ATOM 543 C CA  . GLY A 1 70 ? -29.795 6.008   -28.293 1.00 58.12 70 A 1 
ATOM 544 C C   . GLY A 1 70 ? -30.691 4.950   -28.922 1.00 52.81 70 A 1 
ATOM 545 O O   . GLY A 1 70 ? -30.730 3.825   -28.382 1.00 47.07 70 A 1 
ATOM 546 O OXT . GLY A 1 70 ? -31.293 5.279   -29.968 1.00 53.17 70 A 1 
#
