# 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_if00744
#
_entry.id if00744
#
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](N)C(O)=O                  ? "L-PEPTIDE LINKING" 
"C6 H15 N4 O2"  175.209 ARG y ARGININE        N[C@@H](CCCNC(N)=[NH2+])C(O)=O   ? "L-PEPTIDE LINKING" 
"C4 H8 N2 O3"   132.118 ASN y ASPARAGINE      N[C@@H](CC(N)=O)C(O)=O           ? "L-PEPTIDE LINKING" 
"C4 H7 N O4"    133.103 ASP y "ASPARTIC ACID" N[C@@H](CC(O)=O)C(O)=O           ? "L-PEPTIDE LINKING" 
"C5 H9 N O4"    147.129 GLU y "GLUTAMIC ACID" N[C@@H](CCC(O)=O)C(O)=O          ? "L-PEPTIDE LINKING" 
"C2 H5 N O2"    75.067  GLY y GLYCINE         NCC(O)=O                         ? "PEPTIDE LINKING"   
"C6 H10 N3 O2"  156.162 HIS y HISTIDINE       N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O   ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 ILE y ISOLEUCINE      CC[C@H](C)[C@H](N)C(O)=O         ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 LEU y LEUCINE         CC(C)C[C@H](N)C(O)=O             ? "L-PEPTIDE LINKING" 
"C6 H15 N2 O2"  147.195 LYS y LYSINE          N[C@@H](CCCC[NH3+])C(O)=O        ? "L-PEPTIDE LINKING" 
"C5 H11 N O2 S" 149.211 MET y METHIONINE      CSCC[C@H](N)C(O)=O               ? "L-PEPTIDE LINKING" 
"C9 H11 N O2"   165.189 PHE y PHENYLALANINE   N[C@@H](Cc1ccccc1)C(O)=O         ? "L-PEPTIDE LINKING" 
"C5 H9 N O2"    115.130 PRO y PROLINE         OC(=O)[C@@H]1CCCN1               ? "L-PEPTIDE LINKING" 
"C3 H7 N O3"    105.093 SER y SERINE          N[C@@H](CO)C(O)=O                ? "L-PEPTIDE LINKING" 
"C4 H9 N O3"    119.119 THR y THREONINE       C[C@@H](O)[C@H](N)C(O)=O         ? "L-PEPTIDE LINKING" 
"C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN      N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O ? "L-PEPTIDE LINKING" 
"C9 H11 N O3"   181.189 TYR y TYROSINE        N[C@@H](Cc1ccc(O)cc1)C(O)=O      ? "L-PEPTIDE LINKING" 
"C5 H11 N O2"   117.146 VAL y VALINE          CC(C)[C@H](N)C(O)=O              ? "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 SER 2  
1 n ARG 3  
1 n SER 4  
1 n LEU 5  
1 n LYS 6  
1 n LYS 7  
1 n GLY 8  
1 n PRO 9  
1 n TYR 10 
1 n ILE 11 
1 n ASN 12 
1 n VAL 13 
1 n LYS 14 
1 n LEU 15 
1 n GLU 16 
1 n ASN 17 
1 n ARG 18 
1 n ILE 19 
1 n LEU 20 
1 n THR 21 
1 n MET 22 
1 n ASN 23 
1 n GLU 24 
1 n ALA 25 
1 n GLY 26 
1 n LYS 27 
1 n LYS 28 
1 n ALA 29 
1 n VAL 30 
1 n ILE 31 
1 n LYS 32 
1 n THR 33 
1 n TRP 34 
1 n ALA 35 
1 n ARG 36 
1 n ALA 37 
1 n SER 38 
1 n MET 39 
1 n ILE 40 
1 n SER 41 
1 n PRO 42 
1 n ASP 43 
1 n PHE 44 
1 n VAL 45 
1 n GLY 46 
1 n HIS 47 
1 n THR 48 
1 n ILE 49 
1 n ALA 50 
1 n VAL 51 
1 n HIS 52 
1 n ASN 53 
1 n GLY 54 
1 n ASN 55 
1 n LYS 56 
1 n PHE 57 
1 n ILE 58 
1 n PRO 59 
1 n VAL 60 
1 n PHE 61 
1 n ILE 62 
1 n THR 63 
1 n GLU 64 
1 n ASN 65 
1 n MET 66 
1 n GLY 67 
1 n GLU 68 
1 n PHE 69 
1 n SER 70 
1 n PRO 71 
1 n THR 72 
1 n ARG 73 
1 n ILE 74 
1 n PHE 75 
1 n ARG 76 
1 n GLY 77 
1 n HIS 78 
1 n ALA 79 
1 n GLY 80 
1 n ASN 81 
1 n LYS 82 
1 n ARG 83 
1 n LYS 84 
#
_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 (3.0.0 @ 2025-11-14 06:07:34)"
_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 80.01
_ma_qa_metric_global.model_id     1
_ma_qa_metric_global.ordinal_id   1
#
_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 SER . 2  A 2  
A 3  1 n ARG . 3  A 3  
A 4  1 n SER . 4  A 4  
A 5  1 n LEU . 5  A 5  
A 6  1 n LYS . 6  A 6  
A 7  1 n LYS . 7  A 7  
A 8  1 n GLY . 8  A 8  
A 9  1 n PRO . 9  A 9  
A 10 1 n TYR . 10 A 10 
A 11 1 n ILE . 11 A 11 
A 12 1 n ASN . 12 A 12 
A 13 1 n VAL . 13 A 13 
A 14 1 n LYS . 14 A 14 
A 15 1 n LEU . 15 A 15 
A 16 1 n GLU . 16 A 16 
A 17 1 n ASN . 17 A 17 
A 18 1 n ARG . 18 A 18 
A 19 1 n ILE . 19 A 19 
A 20 1 n LEU . 20 A 20 
A 21 1 n THR . 21 A 21 
A 22 1 n MET . 22 A 22 
A 23 1 n ASN . 23 A 23 
A 24 1 n GLU . 24 A 24 
A 25 1 n ALA . 25 A 25 
A 26 1 n GLY . 26 A 26 
A 27 1 n LYS . 27 A 27 
A 28 1 n LYS . 28 A 28 
A 29 1 n ALA . 29 A 29 
A 30 1 n VAL . 30 A 30 
A 31 1 n ILE . 31 A 31 
A 32 1 n LYS . 32 A 32 
A 33 1 n THR . 33 A 33 
A 34 1 n TRP . 34 A 34 
A 35 1 n ALA . 35 A 35 
A 36 1 n ARG . 36 A 36 
A 37 1 n ALA . 37 A 37 
A 38 1 n SER . 38 A 38 
A 39 1 n MET . 39 A 39 
A 40 1 n ILE . 40 A 40 
A 41 1 n SER . 41 A 41 
A 42 1 n PRO . 42 A 42 
A 43 1 n ASP . 43 A 43 
A 44 1 n PHE . 44 A 44 
A 45 1 n VAL . 45 A 45 
A 46 1 n GLY . 46 A 46 
A 47 1 n HIS . 47 A 47 
A 48 1 n THR . 48 A 48 
A 49 1 n ILE . 49 A 49 
A 50 1 n ALA . 50 A 50 
A 51 1 n VAL . 51 A 51 
A 52 1 n HIS . 52 A 52 
A 53 1 n ASN . 53 A 53 
A 54 1 n GLY . 54 A 54 
A 55 1 n ASN . 55 A 55 
A 56 1 n LYS . 56 A 56 
A 57 1 n PHE . 57 A 57 
A 58 1 n ILE . 58 A 58 
A 59 1 n PRO . 59 A 59 
A 60 1 n VAL . 60 A 60 
A 61 1 n PHE . 61 A 61 
A 62 1 n ILE . 62 A 62 
A 63 1 n THR . 63 A 63 
A 64 1 n GLU . 64 A 64 
A 65 1 n ASN . 65 A 65 
A 66 1 n MET . 66 A 66 
A 67 1 n GLY . 67 A 67 
A 68 1 n GLU . 68 A 68 
A 69 1 n PHE . 69 A 69 
A 70 1 n SER . 70 A 70 
A 71 1 n PRO . 71 A 71 
A 72 1 n THR . 72 A 72 
A 73 1 n ARG . 73 A 73 
A 74 1 n ILE . 74 A 74 
A 75 1 n PHE . 75 A 75 
A 76 1 n ARG . 76 A 76 
A 77 1 n GLY . 77 A 77 
A 78 1 n HIS . 78 A 78 
A 79 1 n ALA . 79 A 79 
A 80 1 n GLY . 80 A 80 
A 81 1 n ASN . 81 A 81 
A 82 1 n LYS . 82 A 82 
A 83 1 n ARG . 83 A 83 
A 84 1 n LYS . 84 A 84 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (3ba2d0388b83b90ab601e399702e005f73b6587c61cc70b0a0466583b05b47e1)"
#
_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  ? 5.039   -10.021 9.794   1.00 42.35 1  A 1 
ATOM 2   C CA  . MET A 1 1  ? 4.402   -10.750 8.680   1.00 44.70 1  A 1 
ATOM 3   C C   . MET A 1 1  ? 2.912   -10.482 8.749   1.00 46.24 1  A 1 
ATOM 4   O O   . MET A 1 1  ? 2.298   -10.837 9.745   1.00 43.42 1  A 1 
ATOM 5   C CB  . MET A 1 1  ? 4.706   -12.256 8.762   1.00 42.58 1  A 1 
ATOM 6   C CG  . MET A 1 1  ? 6.172   -12.544 8.419   1.00 38.28 1  A 1 
ATOM 7   S SD  . MET A 1 1  ? 6.542   -14.286 8.155   1.00 35.75 1  A 1 
ATOM 8   C CE  . MET A 1 1  ? 6.759   -14.881 9.845   1.00 31.77 1  A 1 
ATOM 9   N N   . SER A 1 2  ? 2.361   -9.771  7.788   1.00 54.18 2  A 1 
ATOM 10  C CA  . SER A 1 2  ? 0.981   -9.263  7.857   1.00 56.05 2  A 1 
ATOM 11  C C   . SER A 1 2  ? -0.057  -10.182 7.209   1.00 58.63 2  A 1 
ATOM 12  O O   . SER A 1 2  ? -1.245  -9.993  7.435   1.00 55.08 2  A 1 
ATOM 13  C CB  . SER A 1 2  ? 0.921   -7.865  7.231   1.00 52.17 2  A 1 
ATOM 14  O OG  . SER A 1 2  ? 1.537   -7.880  5.960   1.00 47.33 2  A 1 
ATOM 15  N N   . ARG A 1 3  ? 0.361   -11.184 6.444   1.00 62.48 3  A 1 
ATOM 16  C CA  . ARG A 1 3  ? -0.519  -12.167 5.801   1.00 66.56 3  A 1 
ATOM 17  C C   . ARG A 1 3  ? -0.300  -13.541 6.414   1.00 68.50 3  A 1 
ATOM 18  O O   . ARG A 1 3  ? 0.833   -13.989 6.535   1.00 67.20 3  A 1 
ATOM 19  C CB  . ARG A 1 3  ? -0.291  -12.130 4.276   1.00 63.38 3  A 1 
ATOM 20  C CG  . ARG A 1 3  ? -1.245  -13.059 3.508   1.00 59.41 3  A 1 
ATOM 21  C CD  . ARG A 1 3  ? -1.258  -12.811 1.992   1.00 57.65 3  A 1 
ATOM 22  N NE  . ARG A 1 3  ? 0.064   -12.983 1.362   1.00 52.54 3  A 1 
ATOM 23  C CZ  . ARG A 1 3  ? 0.290   -13.332 0.095   1.00 50.72 3  A 1 
ATOM 24  N NH1 . ARG A 1 3  ? -0.658  -13.768 -0.688  1.00 47.73 3  A 1 
ATOM 25  N NH2 . ARG A 1 3  ? 1.476   -13.235 -0.432  1.00 46.64 3  A 1 
ATOM 26  N N   . SER A 1 4  ? -1.403  -14.218 6.777   1.00 66.87 4  A 1 
ATOM 27  C CA  . SER A 1 4  ? -1.376  -15.632 7.155   1.00 70.32 4  A 1 
ATOM 28  C C   . SER A 1 4  ? -1.259  -16.486 5.895   1.00 71.82 4  A 1 
ATOM 29  O O   . SER A 1 4  ? -2.044  -16.304 4.972   1.00 69.55 4  A 1 
ATOM 30  C CB  . SER A 1 4  ? -2.645  -15.997 7.926   1.00 66.37 4  A 1 
ATOM 31  O OG  . SER A 1 4  ? -2.668  -17.382 8.214   1.00 58.67 4  A 1 
ATOM 32  N N   . LEU A 1 5  ? -0.358  -17.458 5.880   1.00 69.65 5  A 1 
ATOM 33  C CA  . LEU A 1 5  ? -0.225  -18.420 4.774   1.00 71.38 5  A 1 
ATOM 34  C C   . LEU A 1 5  ? -1.496  -19.262 4.572   1.00 72.18 5  A 1 
ATOM 35  O O   . LEU A 1 5  ? -1.774  -19.693 3.462   1.00 69.87 5  A 1 
ATOM 36  C CB  . LEU A 1 5  ? 0.978   -19.339 5.046   1.00 69.59 5  A 1 
ATOM 37  C CG  . LEU A 1 5  ? 2.351   -18.644 4.945   1.00 63.19 5  A 1 
ATOM 38  C CD1 . LEU A 1 5  ? 3.433   -19.574 5.499   1.00 60.78 5  A 1 
ATOM 39  C CD2 . LEU A 1 5  ? 2.712   -18.303 3.503   1.00 59.66 5  A 1 
ATOM 40  N N   . LYS A 1 6  ? -2.286  -19.456 5.649   1.00 72.05 6  A 1 
ATOM 41  C CA  . LYS A 1 6  ? -3.574  -20.168 5.583   1.00 75.98 6  A 1 
ATOM 42  C C   . LYS A 1 6  ? -4.676  -19.358 4.893   1.00 76.44 6  A 1 
ATOM 43  O O   . LYS A 1 6  ? -5.636  -19.934 4.402   1.00 72.63 6  A 1 
ATOM 44  C CB  . LYS A 1 6  ? -4.038  -20.564 6.992   1.00 74.97 6  A 1 
ATOM 45  C CG  . LYS A 1 6  ? -3.106  -21.571 7.678   1.00 69.20 6  A 1 
ATOM 46  C CD  . LYS A 1 6  ? -3.705  -22.040 9.009   1.00 66.59 6  A 1 
ATOM 47  C CE  . LYS A 1 6  ? -2.803  -23.091 9.661   1.00 61.09 6  A 1 
ATOM 48  N NZ  . LYS A 1 6  ? -3.385  -23.649 10.906  1.00 53.88 6  A 1 
ATOM 49  N N   . LYS A 1 7  ? -4.573  -18.034 4.913   1.00 79.18 7  A 1 
ATOM 50  C CA  . LYS A 1 7  ? -5.473  -17.146 4.186   1.00 79.84 7  A 1 
ATOM 51  C C   . LYS A 1 7  ? -4.744  -16.742 2.913   1.00 80.47 7  A 1 
ATOM 52  O O   . LYS A 1 7  ? -3.788  -15.976 2.992   1.00 74.74 7  A 1 
ATOM 53  C CB  . LYS A 1 7  ? -5.869  -15.940 5.048   1.00 75.71 7  A 1 
ATOM 54  C CG  . LYS A 1 7  ? -6.737  -16.354 6.246   1.00 69.68 7  A 1 
ATOM 55  C CD  . LYS A 1 7  ? -7.241  -15.124 7.012   1.00 67.51 7  A 1 
ATOM 56  C CE  . LYS A 1 7  ? -8.144  -15.562 8.169   1.00 62.24 7  A 1 
ATOM 57  N NZ  . LYS A 1 7  ? -8.768  -14.404 8.864   1.00 58.01 7  A 1 
ATOM 58  N N   . GLY A 1 8  ? -5.166  -17.278 1.775   1.00 82.09 8  A 1 
ATOM 59  C CA  . GLY A 1 8  ? -4.584  -16.947 0.476   1.00 83.29 8  A 1 
ATOM 60  C C   . GLY A 1 8  ? -4.556  -15.434 0.196   1.00 85.33 8  A 1 
ATOM 61  O O   . GLY A 1 8  ? -5.016  -14.634 1.022   1.00 82.02 8  A 1 
ATOM 62  N N   . PRO A 1 9  ? -4.019  -15.025 -0.954  1.00 85.87 9  A 1 
ATOM 63  C CA  . PRO A 1 9  ? -4.024  -13.623 -1.352  1.00 87.10 9  A 1 
ATOM 64  C C   . PRO A 1 9  ? -5.461  -13.095 -1.401  1.00 89.06 9  A 1 
ATOM 65  O O   . PRO A 1 9  ? -6.370  -13.786 -1.860  1.00 86.00 9  A 1 
ATOM 66  C CB  . PRO A 1 9  ? -3.331  -13.598 -2.717  1.00 83.11 9  A 1 
ATOM 67  C CG  . PRO A 1 9  ? -3.544  -15.003 -3.272  1.00 79.68 9  A 1 
ATOM 68  C CD  . PRO A 1 9  ? -3.520  -15.870 -2.014  1.00 82.73 9  A 1 
ATOM 69  N N   . TYR A 1 10 ? -5.673  -11.877 -0.892  1.00 90.24 10 A 1 
ATOM 70  C CA  . TYR A 1 10 ? -6.984  -11.243 -0.850  1.00 91.49 10 A 1 
ATOM 71  C C   . TYR A 1 10 ? -6.863  -9.746  -1.118  1.00 92.55 10 A 1 
ATOM 72  O O   . TYR A 1 10 ? -5.862  -9.121  -0.765  1.00 91.04 10 A 1 
ATOM 73  C CB  . TYR A 1 10 ? -7.670  -11.514 0.502   1.00 89.78 10 A 1 
ATOM 74  C CG  . TYR A 1 10 ? -7.124  -10.711 1.670   1.00 88.24 10 A 1 
ATOM 75  C CD1 . TYR A 1 10 ? -5.958  -11.128 2.339   1.00 84.97 10 A 1 
ATOM 76  C CD2 . TYR A 1 10 ? -7.764  -9.527  2.080   1.00 84.68 10 A 1 
ATOM 77  C CE1 . TYR A 1 10 ? -5.432  -10.368 3.392   1.00 81.21 10 A 1 
ATOM 78  C CE2 . TYR A 1 10 ? -7.245  -8.757  3.135   1.00 82.40 10 A 1 
ATOM 79  C CZ  . TYR A 1 10 ? -6.075  -9.180  3.787   1.00 81.25 10 A 1 
ATOM 80  O OH  . TYR A 1 10 ? -5.553  -8.424  4.808   1.00 78.91 10 A 1 
ATOM 81  N N   . ILE A 1 11 ? -7.917  -9.164  -1.676  1.00 93.04 11 A 1 
ATOM 82  C CA  . ILE A 1 11 ? -8.073  -7.717  -1.792  1.00 94.28 11 A 1 
ATOM 83  C C   . ILE A 1 11 ? -8.890  -7.246  -0.589  1.00 95.10 11 A 1 
ATOM 84  O O   . ILE A 1 11 ? -9.897  -7.850  -0.221  1.00 93.97 11 A 1 
ATOM 85  C CB  . ILE A 1 11 ? -8.694  -7.331  -3.148  1.00 93.68 11 A 1 
ATOM 86  C CG1 . ILE A 1 11 ? -7.790  -7.832  -4.304  1.00 90.14 11 A 1 
ATOM 87  C CG2 . ILE A 1 11 ? -8.877  -5.807  -3.227  1.00 88.40 11 A 1 
ATOM 88  C CD1 . ILE A 1 11 ? -8.413  -7.693  -5.692  1.00 82.17 11 A 1 
ATOM 89  N N   . ASN A 1 12 ? -8.450  -6.179  0.073   1.00 95.09 12 A 1 
ATOM 90  C CA  . ASN A 1 12 ? -9.199  -5.619  1.186   1.00 95.57 12 A 1 
ATOM 91  C C   . ASN A 1 12 ? -10.426 -4.869  0.661   1.00 96.30 12 A 1 
ATOM 92  O O   . ASN A 1 12 ? -10.287 -3.768  0.129   1.00 95.78 12 A 1 
ATOM 93  C CB  . ASN A 1 12 ? -8.288  -4.722  2.026   1.00 94.69 12 A 1 
ATOM 94  C CG  . ASN A 1 12 ? -9.003  -4.257  3.276   1.00 91.98 12 A 1 
ATOM 95  O OD1 . ASN A 1 12 ? -9.847  -3.388  3.285   1.00 82.47 12 A 1 
ATOM 96  N ND2 . ASN A 1 12 ? -8.700  -4.875  4.402   1.00 83.17 12 A 1 
ATOM 97  N N   . VAL A 1 13 ? -11.619 -5.410  0.916   1.00 95.97 13 A 1 
ATOM 98  C CA  . VAL A 1 13 ? -12.901 -4.870  0.428   1.00 96.19 13 A 1 
ATOM 99  C C   . VAL A 1 13 ? -13.104 -3.399  0.811   1.00 96.81 13 A 1 
ATOM 100 O O   . VAL A 1 13 ? -13.558 -2.592  0.007   1.00 95.92 13 A 1 
ATOM 101 C CB  . VAL A 1 13 ? -14.067 -5.720  0.967   1.00 94.89 13 A 1 
ATOM 102 C CG1 . VAL A 1 13 ? -15.423 -5.237  0.454   1.00 87.70 13 A 1 
ATOM 103 C CG2 . VAL A 1 13 ? -13.912 -7.197  0.579   1.00 87.43 13 A 1 
ATOM 104 N N   . LYS A 1 14 ? -12.721 -2.986  2.029   1.00 96.63 14 A 1 
ATOM 105 C CA  . LYS A 1 14 ? -12.865 -1.583  2.455   1.00 96.54 14 A 1 
ATOM 106 C C   . LYS A 1 14 ? -11.942 -0.642  1.680   1.00 96.84 14 A 1 
ATOM 107 O O   . LYS A 1 14 ? -12.300 0.513   1.471   1.00 95.60 14 A 1 
ATOM 108 C CB  . LYS A 1 14 ? -12.595 -1.425  3.955   1.00 95.94 14 A 1 
ATOM 109 C CG  . LYS A 1 14 ? -13.623 -2.149  4.835   1.00 89.11 14 A 1 
ATOM 110 C CD  . LYS A 1 14 ? -13.357 -1.881  6.322   1.00 84.01 14 A 1 
ATOM 111 C CE  . LYS A 1 14 ? -14.411 -2.590  7.169   1.00 76.09 14 A 1 
ATOM 112 N NZ  . LYS A 1 14 ? -14.228 -2.370  8.627   1.00 66.96 14 A 1 
ATOM 113 N N   . LEU A 1 15 ? -10.751 -1.105  1.323   1.00 96.89 15 A 1 
ATOM 114 C CA  . LEU A 1 15 ? -9.807  -0.334  0.519   1.00 96.92 15 A 1 
ATOM 115 C C   . LEU A 1 15 ? -10.292 -0.238  -0.927  1.00 97.34 15 A 1 
ATOM 116 O O   . LEU A 1 15 ? -10.295 0.854   -1.481  1.00 96.56 15 A 1 
ATOM 117 C CB  . LEU A 1 15 ? -8.413  -0.980  0.622   1.00 96.13 15 A 1 
ATOM 118 C CG  . LEU A 1 15 ? -7.323  -0.273  -0.205  1.00 94.39 15 A 1 
ATOM 119 C CD1 . LEU A 1 15 ? -7.112  1.170   0.251   1.00 91.01 15 A 1 
ATOM 120 C CD2 . LEU A 1 15 ? -6.000  -1.027  -0.044  1.00 90.84 15 A 1 
ATOM 121 N N   . GLU A 1 16 ? -10.738 -1.351  -1.481  1.00 96.96 16 A 1 
ATOM 122 C CA  . GLU A 1 16 ? -11.277 -1.438  -2.835  1.00 96.95 16 A 1 
ATOM 123 C C   . GLU A 1 16 ? -12.486 -0.516  -3.011  1.00 97.15 16 A 1 
ATOM 124 O O   . GLU A 1 16 ? -12.452 0.371   -3.856  1.00 96.49 16 A 1 
ATOM 125 C CB  . GLU A 1 16 ? -11.616 -2.900  -3.114  1.00 95.95 16 A 1 
ATOM 126 C CG  . GLU A 1 16 ? -12.107 -3.154  -4.540  1.00 90.77 16 A 1 
ATOM 127 C CD  . GLU A 1 16 ? -12.214 -4.664  -4.782  1.00 86.21 16 A 1 
ATOM 128 O OE1 . GLU A 1 16 ? -11.699 -5.126  -5.814  1.00 78.27 16 A 1 
ATOM 129 O OE2 . GLU A 1 16 ? -12.728 -5.361  -3.871  1.00 77.44 16 A 1 
ATOM 130 N N   . ASN A 1 17 ? -13.479 -0.594  -2.126  1.00 97.43 17 A 1 
ATOM 131 C CA  . ASN A 1 17 ? -14.657 0.276   -2.172  1.00 97.41 17 A 1 
ATOM 132 C C   . ASN A 1 17 ? -14.284 1.762   -2.154  1.00 97.32 17 A 1 
ATOM 133 O O   . ASN A 1 17 ? -14.865 2.561   -2.882  1.00 96.62 17 A 1 
ATOM 134 C CB  . ASN A 1 17 ? -15.578 -0.050  -0.987  1.00 97.17 17 A 1 
ATOM 135 C CG  . ASN A 1 17 ? -16.273 -1.398  -1.111  1.00 94.59 17 A 1 
ATOM 136 O OD1 . ASN A 1 17 ? -16.186 -2.104  -2.086  1.00 84.59 17 A 1 
ATOM 137 N ND2 . ASN A 1 17 ? -17.017 -1.797  -0.100  1.00 86.56 17 A 1 
ATOM 138 N N   . ARG A 1 18 ? -13.288 2.164   -1.338  1.00 97.52 18 A 1 
ATOM 139 C CA  . ARG A 1 18 ? -12.825 3.561   -1.311  1.00 97.15 18 A 1 
ATOM 140 C C   . ARG A 1 18 ? -12.200 3.990   -2.637  1.00 97.56 18 A 1 
ATOM 141 O O   . ARG A 1 18 ? -12.381 5.136   -3.032  1.00 96.44 18 A 1 
ATOM 142 C CB  . ARG A 1 18 ? -11.806 3.765   -0.190  1.00 96.23 18 A 1 
ATOM 143 C CG  . ARG A 1 18 ? -12.462 3.815   1.188   1.00 89.63 18 A 1 
ATOM 144 C CD  . ARG A 1 18 ? -11.359 3.916   2.239   1.00 85.69 18 A 1 
ATOM 145 N NE  . ARG A 1 18 ? -11.917 3.990   3.601   1.00 78.32 18 A 1 
ATOM 146 C CZ  . ARG A 1 18 ? -11.232 4.248   4.700   1.00 72.39 18 A 1 
ATOM 147 N NH1 . ARG A 1 18 ? -9.940  4.453   4.676   1.00 68.06 18 A 1 
ATOM 148 N NH2 . ARG A 1 18 ? -11.840 4.314   5.854   1.00 65.66 18 A 1 
ATOM 149 N N   . ILE A 1 19 ? -11.463 3.102   -3.285  1.00 96.98 19 A 1 
ATOM 150 C CA  . ILE A 1 19 ? -10.829 3.381   -4.573  1.00 96.89 19 A 1 
ATOM 151 C C   . ILE A 1 19 ? -11.877 3.457   -5.677  1.00 97.04 19 A 1 
ATOM 152 O O   . ILE A 1 19 ? -11.860 4.424   -6.431  1.00 96.42 19 A 1 
ATOM 153 C CB  . ILE A 1 19 ? -9.724  2.346   -4.857  1.00 96.56 19 A 1 
ATOM 154 C CG1 . ILE A 1 19 ? -8.542  2.655   -3.909  1.00 94.24 19 A 1 
ATOM 155 C CG2 . ILE A 1 19 ? -9.283  2.385   -6.330  1.00 93.56 19 A 1 
ATOM 156 C CD1 . ILE A 1 19 ? -7.455  1.593   -3.914  1.00 85.05 19 A 1 
ATOM 157 N N   . LEU A 1 20 ? -12.823 2.521   -5.712  1.00 97.14 20 A 1 
ATOM 158 C CA  . LEU A 1 20 ? -13.931 2.534   -6.668  1.00 97.08 20 A 1 
ATOM 159 C C   . LEU A 1 20 ? -14.747 3.823   -6.549  1.00 96.97 20 A 1 
ATOM 160 O O   . LEU A 1 20 ? -14.928 4.522   -7.541  1.00 96.21 20 A 1 
ATOM 161 C CB  . LEU A 1 20 ? -14.809 1.290   -6.455  1.00 96.97 20 A 1 
ATOM 162 C CG  . LEU A 1 20 ? -14.124 -0.048  -6.804  1.00 94.58 20 A 1 
ATOM 163 C CD1 . LEU A 1 20 ? -15.058 -1.204  -6.450  1.00 89.83 20 A 1 
ATOM 164 C CD2 . LEU A 1 20 ? -13.756 -0.154  -8.282  1.00 89.87 20 A 1 
ATOM 165 N N   . THR A 1 21 ? -15.109 4.241   -5.337  1.00 97.26 21 A 1 
ATOM 166 C CA  . THR A 1 21 ? -15.804 5.522   -5.115  1.00 96.93 21 A 1 
ATOM 167 C C   . THR A 1 21 ? -14.993 6.724   -5.617  1.00 96.76 21 A 1 
ATOM 168 O O   . THR A 1 21 ? -15.556 7.688   -6.136  1.00 95.89 21 A 1 
ATOM 169 C CB  . THR A 1 21 ? -16.108 5.726   -3.626  1.00 96.35 21 A 1 
ATOM 170 O OG1 . THR A 1 21 ? -16.780 4.631   -3.056  1.00 86.99 21 A 1 
ATOM 171 C CG2 . THR A 1 21 ? -16.992 6.944   -3.363  1.00 83.52 21 A 1 
ATOM 172 N N   . MET A 1 22 ? -13.665 6.716   -5.462  1.00 96.73 22 A 1 
ATOM 173 C CA  . MET A 1 22 ? -12.828 7.797   -5.994  1.00 96.39 22 A 1 
ATOM 174 C C   . MET A 1 22 ? -12.734 7.771   -7.519  1.00 96.62 22 A 1 
ATOM 175 O O   . MET A 1 22 ? -12.718 8.844   -8.119  1.00 95.51 22 A 1 
ATOM 176 C CB  . MET A 1 22 ? -11.417 7.753   -5.415  1.00 95.34 22 A 1 
ATOM 177 C CG  . MET A 1 22 ? -11.367 8.193   -3.950  1.00 90.78 22 A 1 
ATOM 178 S SD  . MET A 1 22 ? -9.692  8.533   -3.335  1.00 86.31 22 A 1 
ATOM 179 C CE  . MET A 1 22 ? -8.775  7.152   -4.052  1.00 73.76 22 A 1 
ATOM 180 N N   . ASN A 1 23 ? -12.687 6.590   -8.125  1.00 96.53 23 A 1 
ATOM 181 C CA  . ASN A 1 23 ? -12.692 6.435   -9.577  1.00 95.94 23 A 1 
ATOM 182 C C   . ASN A 1 23 ? -13.993 6.969   -10.181 1.00 96.35 23 A 1 
ATOM 183 O O   . ASN A 1 23 ? -13.943 7.771   -11.108 1.00 94.78 23 A 1 
ATOM 184 C CB  . ASN A 1 23 ? -12.471 4.954   -9.941  1.00 94.99 23 A 1 
ATOM 185 C CG  . ASN A 1 23 ? -11.029 4.510   -9.795  1.00 92.10 23 A 1 
ATOM 186 O OD1 . ASN A 1 23 ? -10.112 5.306   -9.838  1.00 84.12 23 A 1 
ATOM 187 N ND2 . ASN A 1 23 ? -10.780 3.224   -9.681  1.00 84.55 23 A 1 
ATOM 188 N N   . GLU A 1 24 ? -15.138 6.612   -9.598  1.00 95.89 24 A 1 
ATOM 189 C CA  . GLU A 1 24 ? -16.456 7.118   -10.009 1.00 95.57 24 A 1 
ATOM 190 C C   . GLU A 1 24 ? -16.556 8.642   -9.874  1.00 95.50 24 A 1 
ATOM 191 O O   . GLU A 1 24 ? -17.083 9.326   -10.748 1.00 93.74 24 A 1 
ATOM 192 C CB  . GLU A 1 24 ? -17.540 6.478   -9.133  1.00 95.12 24 A 1 
ATOM 193 C CG  . GLU A 1 24 ? -17.756 4.986   -9.432  1.00 85.92 24 A 1 
ATOM 194 C CD  . GLU A 1 24 ? -18.701 4.313   -8.422  1.00 78.58 24 A 1 
ATOM 195 O OE1 . GLU A 1 24 ? -18.885 3.083   -8.543  1.00 72.65 24 A 1 
ATOM 196 O OE2 . GLU A 1 24 ? -19.210 5.010   -7.510  1.00 73.09 24 A 1 
ATOM 197 N N   . ALA A 1 25 ? -16.010 9.194   -8.789  1.00 96.27 25 A 1 
ATOM 198 C CA  . ALA A 1 25 ? -16.003 10.635  -8.551  1.00 95.74 25 A 1 
ATOM 199 C C   . ALA A 1 25 ? -14.942 11.403  -9.369  1.00 95.68 25 A 1 
ATOM 200 O O   . ALA A 1 25 ? -14.881 12.636  -9.274  1.00 92.24 25 A 1 
ATOM 201 C CB  . ALA A 1 25 ? -15.840 10.868  -7.045  1.00 95.06 25 A 1 
ATOM 202 N N   . GLY A 1 26 ? -14.065 10.713  -10.096 1.00 95.59 26 A 1 
ATOM 203 C CA  . GLY A 1 26 ? -12.942 11.311  -10.828 1.00 94.74 26 A 1 
ATOM 204 C C   . GLY A 1 26 ? -11.922 12.032  -9.934  1.00 94.76 26 A 1 
ATOM 205 O O   . GLY A 1 26 ? -11.163 12.885  -10.404 1.00 91.15 26 A 1 
ATOM 206 N N   . LYS A 1 27 ? -11.896 11.729  -8.629  1.00 94.11 27 A 1 
ATOM 207 C CA  . LYS A 1 27 ? -11.035 12.399  -7.647  1.00 92.93 27 A 1 
ATOM 208 C C   . LYS A 1 27 ? -9.826  11.537  -7.304  1.00 92.39 27 A 1 
ATOM 209 O O   . LYS A 1 27 ? -9.947  10.359  -6.988  1.00 86.90 27 A 1 
ATOM 210 C CB  . LYS A 1 27 ? -11.829 12.769  -6.386  1.00 90.05 27 A 1 
ATOM 211 C CG  . LYS A 1 27 ? -12.824 13.908  -6.661  1.00 80.26 27 A 1 
ATOM 212 C CD  . LYS A 1 27 ? -13.630 14.262  -5.409  1.00 77.78 27 A 1 
ATOM 213 C CE  . LYS A 1 27 ? -14.649 15.345  -5.756  1.00 69.53 27 A 1 
ATOM 214 N NZ  . LYS A 1 27 ? -15.533 15.674  -4.611  1.00 61.97 27 A 1 
ATOM 215 N N   . LYS A 1 28 ? -8.655  12.157  -7.273  1.00 93.05 28 A 1 
ATOM 216 C CA  . LYS A 1 28 ? -7.425  11.531  -6.781  1.00 92.37 28 A 1 
ATOM 217 C C   . LYS A 1 28 ? -7.086  12.104  -5.407  1.00 92.74 28 A 1 
ATOM 218 O O   . LYS A 1 28 ? -6.808  13.293  -5.275  1.00 85.55 28 A 1 
ATOM 219 C CB  . LYS A 1 28 ? -6.283  11.692  -7.795  1.00 88.78 28 A 1 
ATOM 220 C CG  . LYS A 1 28 ? -6.580  10.923  -9.098  1.00 84.85 28 A 1 
ATOM 221 C CD  . LYS A 1 28 ? -5.382  10.929  -10.056 1.00 78.90 28 A 1 
ATOM 222 C CE  . LYS A 1 28 ? -5.740  10.116  -11.304 1.00 73.56 28 A 1 
ATOM 223 N NZ  . LYS A 1 28 ? -4.588  9.920   -12.223 1.00 65.47 28 A 1 
ATOM 224 N N   . ALA A 1 29 ? -7.109  11.251  -4.397  1.00 94.37 29 A 1 
ATOM 225 C CA  . ALA A 1 29 ? -6.722  11.601  -3.036  1.00 94.14 29 A 1 
ATOM 226 C C   . ALA A 1 29 ? -5.853  10.494  -2.430  1.00 95.24 29 A 1 
ATOM 227 O O   . ALA A 1 29 ? -5.931  9.332   -2.823  1.00 92.36 29 A 1 
ATOM 228 C CB  . ALA A 1 29 ? -7.985  11.865  -2.202  1.00 92.11 29 A 1 
ATOM 229 N N   . VAL A 1 30 ? -5.035  10.851  -1.446  1.00 96.18 30 A 1 
ATOM 230 C CA  . VAL A 1 30 ? -4.208  9.872   -0.735  1.00 96.73 30 A 1 
ATOM 231 C C   . VAL A 1 30 ? -5.069  9.116   0.272   1.00 96.90 30 A 1 
ATOM 232 O O   . VAL A 1 30 ? -5.581  9.701   1.226   1.00 95.01 30 A 1 
ATOM 233 C CB  . VAL A 1 30 ? -2.999  10.531  -0.057  1.00 95.81 30 A 1 
ATOM 234 C CG1 . VAL A 1 30 ? -2.126  9.480   0.643   1.00 91.91 30 A 1 
ATOM 235 C CG2 . VAL A 1 30 ? -2.124  11.272  -1.072  1.00 92.03 30 A 1 
ATOM 236 N N   . ILE A 1 31 ? -5.198  7.805   0.091   1.00 97.07 31 A 1 
ATOM 237 C CA  . ILE A 1 31 ? -5.916  6.931   1.026   1.00 96.74 31 A 1 
ATOM 238 C C   . ILE A 1 31 ? -4.931  6.362   2.038   1.00 96.85 31 A 1 
ATOM 239 O O   . ILE A 1 31 ? -3.938  5.742   1.670   1.00 95.62 31 A 1 
ATOM 240 C CB  . ILE A 1 31 ? -6.674  5.813   0.288   1.00 95.63 31 A 1 
ATOM 241 C CG1 . ILE A 1 31 ? -7.712  6.414   -0.680  1.00 89.28 31 A 1 
ATOM 242 C CG2 . ILE A 1 31 ? -7.366  4.878   1.297   1.00 86.41 31 A 1 
ATOM 243 C CD1 . ILE A 1 31 ? -8.446  5.349   -1.495  1.00 80.84 31 A 1 
ATOM 244 N N   . LYS A 1 32 ? -5.237  6.506   3.336   1.00 96.37 32 A 1 
ATOM 245 C CA  . LYS A 1 32 ? -4.502  5.826   4.406   1.00 96.42 32 A 1 
ATOM 246 C C   . LYS A 1 32 ? -5.095  4.439   4.654   1.00 96.06 32 A 1 
ATOM 247 O O   . LYS A 1 32 ? -6.306  4.303   4.812   1.00 94.36 32 A 1 
ATOM 248 C CB  . LYS A 1 32 ? -4.500  6.673   5.685   1.00 96.10 32 A 1 
ATOM 249 C CG  . LYS A 1 32 ? -3.700  7.974   5.516   1.00 94.12 32 A 1 
ATOM 250 C CD  . LYS A 1 32 ? -3.737  8.805   6.799   1.00 91.85 32 A 1 
ATOM 251 C CE  . LYS A 1 32 ? -2.973  10.114  6.608   1.00 86.96 32 A 1 
ATOM 252 N NZ  . LYS A 1 32 ? -3.083  11.013  7.787   1.00 80.28 32 A 1 
ATOM 253 N N   . THR A 1 33 ? -4.253  3.416   4.718   1.00 95.87 33 A 1 
ATOM 254 C CA  . THR A 1 33 ? -4.685  2.043   4.989   1.00 95.44 33 A 1 
ATOM 255 C C   . THR A 1 33 ? -3.705  1.296   5.888   1.00 94.98 33 A 1 
ATOM 256 O O   . THR A 1 33 ? -2.492  1.490   5.820   1.00 93.22 33 A 1 
ATOM 257 C CB  . THR A 1 33 ? -4.950  1.280   3.681   1.00 94.65 33 A 1 
ATOM 258 O OG1 . THR A 1 33 ? -5.530  0.032   3.984   1.00 87.72 33 A 1 
ATOM 259 C CG2 . THR A 1 33 ? -3.703  1.013   2.836   1.00 88.74 33 A 1 
ATOM 260 N N   . TRP A 1 34 ? -4.248  0.412   6.722   1.00 94.73 34 A 1 
ATOM 261 C CA  . TRP A 1 34 ? -3.496  -0.588  7.478   1.00 94.01 34 A 1 
ATOM 262 C C   . TRP A 1 34 ? -3.442  -1.943  6.753   1.00 93.24 34 A 1 
ATOM 263 O O   . TRP A 1 34 ? -2.758  -2.853  7.202   1.00 89.62 34 A 1 
ATOM 264 C CB  . TRP A 1 34 ? -4.103  -0.716  8.874   1.00 93.03 34 A 1 
ATOM 265 C CG  . TRP A 1 34 ? -3.914  0.492   9.747   1.00 91.85 34 A 1 
ATOM 266 C CD1 . TRP A 1 34 ? -2.946  0.623   10.688  1.00 87.01 34 A 1 
ATOM 267 C CD2 . TRP A 1 34 ? -4.689  1.724   9.797   1.00 89.23 34 A 1 
ATOM 268 N NE1 . TRP A 1 34 ? -3.069  1.855   11.315  1.00 86.81 34 A 1 
ATOM 269 C CE2 . TRP A 1 34 ? -4.127  2.568   10.804  1.00 88.66 34 A 1 
ATOM 270 C CE3 . TRP A 1 34 ? -5.812  2.220   9.095   1.00 85.05 34 A 1 
ATOM 271 C CZ2 . TRP A 1 34 ? -4.660  3.839   11.103  1.00 85.18 34 A 1 
ATOM 272 C CZ3 . TRP A 1 34 ? -6.341  3.489   9.393   1.00 80.69 34 A 1 
ATOM 273 C CH2 . TRP A 1 34 ? -5.769  4.293   10.385  1.00 81.22 34 A 1 
ATOM 274 N N   . ALA A 1 35 ? -4.137  -2.072  5.617   1.00 93.18 35 A 1 
ATOM 275 C CA  . ALA A 1 35 ? -4.250  -3.311  4.856   1.00 92.60 35 A 1 
ATOM 276 C C   . ALA A 1 35 ? -2.986  -3.618  4.028   1.00 92.03 35 A 1 
ATOM 277 O O   . ALA A 1 35 ? -3.050  -3.828  2.824   1.00 89.25 35 A 1 
ATOM 278 C CB  . ALA A 1 35 ? -5.527  -3.254  4.016   1.00 92.09 35 A 1 
ATOM 279 N N   . ARG A 1 36 ? -1.828  -3.674  4.679   1.00 91.15 36 A 1 
ATOM 280 C CA  . ARG A 1 36 ? -0.534  -3.951  4.026   1.00 89.82 36 A 1 
ATOM 281 C C   . ARG A 1 36 ? -0.479  -5.312  3.325   1.00 89.80 36 A 1 
ATOM 282 O O   . ARG A 1 36 ? 0.306   -5.482  2.402   1.00 86.36 36 A 1 
ATOM 283 C CB  . ARG A 1 36 ? 0.570   -3.834  5.090   1.00 86.40 36 A 1 
ATOM 284 C CG  . ARG A 1 36 ? 1.973   -3.938  4.482   1.00 78.46 36 A 1 
ATOM 285 C CD  . ARG A 1 36 ? 3.034   -3.801  5.563   1.00 76.72 36 A 1 
ATOM 286 N NE  . ARG A 1 36 ? 4.383   -3.854  4.973   1.00 72.85 36 A 1 
ATOM 287 C CZ  . ARG A 1 36 ? 5.521   -3.856  5.637   1.00 69.29 36 A 1 
ATOM 288 N NH1 . ARG A 1 36 ? 5.566   -3.847  6.937   1.00 62.65 36 A 1 
ATOM 289 N NH2 . ARG A 1 36 ? 6.649   -3.865  4.992   1.00 61.85 36 A 1 
ATOM 290 N N   . ALA A 1 37 ? -1.286  -6.273  3.777   1.00 89.18 37 A 1 
ATOM 291 C CA  . ALA A 1 37 ? -1.350  -7.610  3.194   1.00 88.91 37 A 1 
ATOM 292 C C   . ALA A 1 37 ? -2.300  -7.716  1.991   1.00 89.94 37 A 1 
ATOM 293 O O   . ALA A 1 37 ? -2.431  -8.800  1.432   1.00 87.54 37 A 1 
ATOM 294 C CB  . ALA A 1 37 ? -1.738  -8.596  4.305   1.00 86.76 37 A 1 
ATOM 295 N N   . SER A 1 38 ? -2.999  -6.637  1.639   1.00 91.05 38 A 1 
ATOM 296 C CA  . SER A 1 38 ? -3.904  -6.615  0.493   1.00 92.05 38 A 1 
ATOM 297 C C   . SER A 1 38 ? -3.127  -6.758  -0.807  1.00 92.30 38 A 1 
ATOM 298 O O   . SER A 1 38 ? -2.062  -6.159  -0.967  1.00 91.04 38 A 1 
ATOM 299 C CB  . SER A 1 38 ? -4.699  -5.308  0.461   1.00 92.23 38 A 1 
ATOM 300 O OG  . SER A 1 38 ? -5.719  -5.351  -0.512  1.00 87.17 38 A 1 
ATOM 301 N N   . MET A 1 39 ? -3.698  -7.497  -1.737  1.00 91.66 39 A 1 
ATOM 302 C CA  . MET A 1 39 ? -3.334  -7.395  -3.142  1.00 92.17 39 A 1 
ATOM 303 C C   . MET A 1 39 ? -3.743  -6.035  -3.704  1.00 93.65 39 A 1 
ATOM 304 O O   . MET A 1 39 ? -4.555  -5.315  -3.116  1.00 92.77 39 A 1 
ATOM 305 C CB  . MET A 1 39 ? -3.970  -8.536  -3.944  1.00 90.38 39 A 1 
ATOM 306 C CG  . MET A 1 39 ? -3.431  -9.900  -3.515  1.00 84.63 39 A 1 
ATOM 307 S SD  . MET A 1 39 ? -4.002  -11.278 -4.535  1.00 77.45 39 A 1 
ATOM 308 C CE  . MET A 1 39 ? -3.104  -10.950 -6.081  1.00 67.46 39 A 1 
ATOM 309 N N   . ILE A 1 40 ? -3.174  -5.708  -4.849  1.00 94.11 40 A 1 
ATOM 310 C CA  . ILE A 1 40 ? -3.463  -4.508  -5.626  1.00 94.31 40 A 1 
ATOM 311 C C   . ILE A 1 40 ? -4.221  -4.948  -6.880  1.00 94.56 40 A 1 
ATOM 312 O O   . ILE A 1 40 ? -3.712  -5.765  -7.644  1.00 92.69 40 A 1 
ATOM 313 C CB  . ILE A 1 40 ? -2.149  -3.769  -5.939  1.00 93.07 40 A 1 
ATOM 314 C CG1 . ILE A 1 40 ? -1.472  -3.307  -4.624  1.00 90.07 40 A 1 
ATOM 315 C CG2 . ILE A 1 40 ? -2.414  -2.580  -6.868  1.00 88.38 40 A 1 
ATOM 316 C CD1 . ILE A 1 40 ? -0.083  -2.705  -4.808  1.00 85.83 40 A 1 
ATOM 317 N N   . SER A 1 41 ? -5.427  -4.432  -7.073  1.00 94.18 41 A 1 
ATOM 318 C CA  . SER A 1 41 ? -6.201  -4.651  -8.293  1.00 93.87 41 A 1 
ATOM 319 C C   . SER A 1 41 ? -5.834  -3.609  -9.360  1.00 94.29 41 A 1 
ATOM 320 O O   . SER A 1 41 ? -5.276  -2.558  -9.023  1.00 92.84 41 A 1 
ATOM 321 C CB  . SER A 1 41 ? -7.708  -4.655  -8.000  1.00 92.29 41 A 1 
ATOM 322 O OG  . SER A 1 41 ? -8.181  -3.374  -7.662  1.00 83.85 41 A 1 
ATOM 323 N N   . PRO A 1 42 ? -6.144  -3.867  -10.638 1.00 93.92 42 A 1 
ATOM 324 C CA  . PRO A 1 42 ? -5.940  -2.887  -11.711 1.00 93.59 42 A 1 
ATOM 325 C C   . PRO A 1 42 ? -6.591  -1.526  -11.434 1.00 94.06 42 A 1 
ATOM 326 O O   . PRO A 1 42 ? -6.000  -0.495  -11.743 1.00 91.77 42 A 1 
ATOM 327 C CB  . PRO A 1 42 ? -6.525  -3.551  -12.965 1.00 91.70 42 A 1 
ATOM 328 C CG  . PRO A 1 42 ? -6.367  -5.042  -12.683 1.00 88.52 42 A 1 
ATOM 329 C CD  . PRO A 1 42 ? -6.624  -5.125  -11.183 1.00 91.94 42 A 1 
ATOM 330 N N   . ASP A 1 43 ? -7.740  -1.499  -10.750 1.00 94.92 43 A 1 
ATOM 331 C CA  . ASP A 1 43 ? -8.457  -0.265  -10.394 1.00 94.99 43 A 1 
ATOM 332 C C   . ASP A 1 43 ? -7.666  0.656   -9.456  1.00 95.71 43 A 1 
ATOM 333 O O   . ASP A 1 43 ? -7.984  1.840   -9.304  1.00 94.44 43 A 1 
ATOM 334 C CB  . ASP A 1 43 ? -9.782  -0.624  -9.715  1.00 93.74 43 A 1 
ATOM 335 C CG  . ASP A 1 43 ? -10.611 -1.583  -10.557 1.00 89.64 43 A 1 
ATOM 336 O OD1 . ASP A 1 43 ? -10.812 -1.270  -11.751 1.00 80.78 43 A 1 
ATOM 337 O OD2 . ASP A 1 43 ? -10.945 -2.651  -10.004 1.00 81.53 43 A 1 
ATOM 338 N N   . PHE A 1 44 ? -6.635  0.121   -8.803  1.00 95.82 44 A 1 
ATOM 339 C CA  . PHE A 1 44 ? -5.801  0.884   -7.879  1.00 96.18 44 A 1 
ATOM 340 C C   . PHE A 1 44 ? -4.746  1.720   -8.616  1.00 96.33 44 A 1 
ATOM 341 O O   . PHE A 1 44 ? -4.164  2.632   -8.020  1.00 94.69 44 A 1 
ATOM 342 C CB  . PHE A 1 44 ? -5.145  -0.066  -6.863  1.00 95.86 44 A 1 
ATOM 343 C CG  . PHE A 1 44 ? -6.036  -0.752  -5.836  1.00 95.94 44 A 1 
ATOM 344 C CD1 . PHE A 1 44 ? -7.397  -1.007  -6.060  1.00 93.68 44 A 1 
ATOM 345 C CD2 . PHE A 1 44 ? -5.453  -1.164  -4.618  1.00 93.69 44 A 1 
ATOM 346 C CE1 . PHE A 1 44 ? -8.174  -1.650  -5.084  1.00 92.99 44 A 1 
ATOM 347 C CE2 . PHE A 1 44 ? -6.231  -1.808  -3.643  1.00 92.87 44 A 1 
ATOM 348 C CZ  . PHE A 1 44 ? -7.592  -2.050  -3.875  1.00 93.68 44 A 1 
ATOM 349 N N   . VAL A 1 45 ? -4.490  1.428   -9.895  1.00 95.72 45 A 1 
ATOM 350 C CA  . VAL A 1 45 ? -3.455  2.082   -10.690 1.00 95.37 45 A 1 
ATOM 351 C C   . VAL A 1 45 ? -3.728  3.585   -10.809 1.00 95.25 45 A 1 
ATOM 352 O O   . VAL A 1 45 ? -4.844  4.041   -11.025 1.00 92.92 45 A 1 
ATOM 353 C CB  . VAL A 1 45 ? -3.300  1.409   -12.065 1.00 94.30 45 A 1 
ATOM 354 C CG1 . VAL A 1 45 ? -2.265  2.126   -12.938 1.00 90.60 45 A 1 
ATOM 355 C CG2 . VAL A 1 45 ? -2.819  -0.038  -11.898 1.00 91.36 45 A 1 
ATOM 356 N N   . GLY A 1 46 ? -2.673  4.378   -10.640 1.00 95.21 46 A 1 
ATOM 357 C CA  . GLY A 1 46 ? -2.745  5.837   -10.696 1.00 94.78 46 A 1 
ATOM 358 C C   . GLY A 1 46 ? -3.190  6.512   -9.398  1.00 95.29 46 A 1 
ATOM 359 O O   . GLY A 1 46 ? -3.184  7.749   -9.329  1.00 93.53 46 A 1 
ATOM 360 N N   . HIS A 1 47 ? -3.524  5.745   -8.351  1.00 96.18 47 A 1 
ATOM 361 C CA  . HIS A 1 47 ? -3.780  6.258   -7.008  1.00 96.22 47 A 1 
ATOM 362 C C   . HIS A 1 47 ? -2.536  6.214   -6.129  1.00 96.11 47 A 1 
ATOM 363 O O   . HIS A 1 47 ? -1.632  5.403   -6.302  1.00 95.02 47 A 1 
ATOM 364 C CB  . HIS A 1 47 ? -4.948  5.518   -6.354  1.00 96.12 47 A 1 
ATOM 365 C CG  . HIS A 1 47 ? -6.245  5.831   -7.029  1.00 96.10 47 A 1 
ATOM 366 N ND1 . HIS A 1 47 ? -6.981  6.998   -6.879  1.00 85.90 47 A 1 
ATOM 367 C CD2 . HIS A 1 47 ? -6.871  5.043   -7.949  1.00 87.13 47 A 1 
ATOM 368 C CE1 . HIS A 1 47 ? -8.029  6.896   -7.696  1.00 89.23 47 A 1 
ATOM 369 N NE2 . HIS A 1 47 ? -7.996  5.730   -8.359  1.00 90.86 47 A 1 
ATOM 370 N N   . THR A 1 48 ? -2.510  7.085   -5.123  1.00 95.58 48 A 1 
ATOM 371 C CA  . THR A 1 48 ? -1.492  7.048   -4.069  1.00 95.49 48 A 1 
ATOM 372 C C   . THR A 1 48 ? -2.119  6.506   -2.796  1.00 95.56 48 A 1 
ATOM 373 O O   . THR A 1 48 ? -3.048  7.096   -2.246  1.00 94.37 48 A 1 
ATOM 374 C CB  . THR A 1 48 ? -0.867  8.422   -3.835  1.00 94.38 48 A 1 
ATOM 375 O OG1 . THR A 1 48 ? -0.298  8.898   -5.034  1.00 84.85 48 A 1 
ATOM 376 C CG2 . THR A 1 48 ? 0.268   8.368   -2.813  1.00 83.35 48 A 1 
ATOM 377 N N   . ILE A 1 49 ? -1.600  5.390   -2.293  1.00 95.64 49 A 1 
ATOM 378 C CA  . ILE A 1 49 ? -2.066  4.752   -1.066  1.00 95.40 49 A 1 
ATOM 379 C C   . ILE A 1 49 ? -0.979  4.870   -0.006  1.00 94.92 49 A 1 
ATOM 380 O O   . ILE A 1 49 ? 0.142   4.404   -0.186  1.00 93.55 49 A 1 
ATOM 381 C CB  . ILE A 1 49 ? -2.506  3.293   -1.318  1.00 95.24 49 A 1 
ATOM 382 C CG1 . ILE A 1 49 ? -3.620  3.262   -2.392  1.00 93.56 49 A 1 
ATOM 383 C CG2 . ILE A 1 49 ? -2.983  2.660   -0.004  1.00 92.57 49 A 1 
ATOM 384 C CD1 . ILE A 1 49 ? -4.224  1.882   -2.637  1.00 88.79 49 A 1 
ATOM 385 N N   . ALA A 1 50 ? -1.313  5.482   1.133   1.00 94.60 50 A 1 
ATOM 386 C CA  . ALA A 1 50 ? -0.428  5.547   2.284   1.00 94.44 50 A 1 
ATOM 387 C C   . ALA A 1 50 ? -0.601  4.285   3.138   1.00 94.30 50 A 1 
ATOM 388 O O   . ALA A 1 50 ? -1.565  4.148   3.892   1.00 93.24 50 A 1 
ATOM 389 C CB  . ALA A 1 50 ? -0.692  6.851   3.043   1.00 94.05 50 A 1 
ATOM 390 N N   . VAL A 1 51 ? 0.343   3.356   3.029   1.00 93.54 51 A 1 
ATOM 391 C CA  . VAL A 1 51 ? 0.318   2.066   3.728   1.00 92.47 51 A 1 
ATOM 392 C C   . VAL A 1 51 ? 1.037   2.184   5.064   1.00 91.57 51 A 1 
ATOM 393 O O   . VAL A 1 51 ? 2.171   2.653   5.128   1.00 89.57 51 A 1 
ATOM 394 C CB  . VAL A 1 51 ? 0.934   0.954   2.862   1.00 91.33 51 A 1 
ATOM 395 C CG1 . VAL A 1 51 ? 0.806   -0.415  3.541   1.00 87.47 51 A 1 
ATOM 396 C CG2 . VAL A 1 51 ? 0.243   0.856   1.502   1.00 87.96 51 A 1 
ATOM 397 N N   . HIS A 1 52 ? 0.405   1.726   6.149   1.00 91.48 52 A 1 
ATOM 398 C CA  . HIS A 1 52 ? 1.034   1.672   7.463   1.00 90.14 52 A 1 
ATOM 399 C C   . HIS A 1 52 ? 2.006   0.490   7.552   1.00 88.07 52 A 1 
ATOM 400 O O   . HIS A 1 52 ? 1.616   -0.664  7.410   1.00 85.19 52 A 1 
ATOM 401 C CB  . HIS A 1 52 ? -0.041  1.610   8.545   1.00 89.31 52 A 1 
ATOM 402 C CG  . HIS A 1 52 ? 0.524   1.875   9.914   1.00 88.59 52 A 1 
ATOM 403 N ND1 . HIS A 1 52 ? 0.787   0.942   10.884  1.00 82.22 52 A 1 
ATOM 404 C CD2 . HIS A 1 52 ? 0.856   3.090   10.437  1.00 83.25 52 A 1 
ATOM 405 C CE1 . HIS A 1 52 ? 1.256   1.593   11.971  1.00 84.74 52 A 1 
ATOM 406 N NE2 . HIS A 1 52 ? 1.315   2.907   11.733  1.00 85.82 52 A 1 
ATOM 407 N N   . ASN A 1 53 ? 3.282   0.756   7.827   1.00 86.31 53 A 1 
ATOM 408 C CA  . ASN A 1 53 ? 4.320   -0.284  7.897   1.00 84.43 53 A 1 
ATOM 409 C C   . ASN A 1 53 ? 4.572   -0.834  9.313   1.00 83.52 53 A 1 
ATOM 410 O O   . ASN A 1 53 ? 5.493   -1.624  9.494   1.00 78.93 53 A 1 
ATOM 411 C CB  . ASN A 1 53 ? 5.607   0.230   7.223   1.00 80.70 53 A 1 
ATOM 412 C CG  . ASN A 1 53 ? 6.388   1.209   8.074   1.00 77.81 53 A 1 
ATOM 413 O OD1 . ASN A 1 53 ? 5.904   1.756   9.044   1.00 70.06 53 A 1 
ATOM 414 N ND2 . ASN A 1 53 ? 7.642   1.452   7.752   1.00 74.56 53 A 1 
ATOM 415 N N   . GLY A 1 54 ? 3.780   -0.421  10.300  1.00 84.05 54 A 1 
ATOM 416 C CA  . GLY A 1 54 ? 3.967   -0.703  11.727  1.00 83.71 54 A 1 
ATOM 417 C C   . GLY A 1 54 ? 4.466   0.499   12.529  1.00 84.63 54 A 1 
ATOM 418 O O   . GLY A 1 54 ? 4.213   0.569   13.723  1.00 81.25 54 A 1 
ATOM 419 N N   . ASN A 1 55 ? 5.103   1.482   11.875  1.00 83.82 55 A 1 
ATOM 420 C CA  . ASN A 1 55 ? 5.600   2.697   12.514  1.00 85.85 55 A 1 
ATOM 421 C C   . ASN A 1 55 ? 4.919   3.960   11.963  1.00 86.80 55 A 1 
ATOM 422 O O   . ASN A 1 55 ? 4.423   4.794   12.714  1.00 83.47 55 A 1 
ATOM 423 C CB  . ASN A 1 55 ? 7.131   2.717   12.334  1.00 82.48 55 A 1 
ATOM 424 C CG  . ASN A 1 55 ? 7.808   3.850   13.077  1.00 77.92 55 A 1 
ATOM 425 O OD1 . ASN A 1 55 ? 7.232   4.588   13.845  1.00 69.54 55 A 1 
ATOM 426 N ND2 . ASN A 1 55 ? 9.093   4.036   12.871  1.00 71.23 55 A 1 
ATOM 427 N N   . LYS A 1 56 ? 4.866   4.101   10.650  1.00 87.63 56 A 1 
ATOM 428 C CA  . LYS A 1 56 ? 4.305   5.273   9.977   1.00 88.26 56 A 1 
ATOM 429 C C   . LYS A 1 56 ? 3.562   4.902   8.702   1.00 89.11 56 A 1 
ATOM 430 O O   . LYS A 1 56 ? 3.762   3.818   8.153   1.00 87.17 56 A 1 
ATOM 431 C CB  . LYS A 1 56 ? 5.418   6.305   9.719   1.00 85.72 56 A 1 
ATOM 432 C CG  . LYS A 1 56 ? 6.526   5.795   8.776   1.00 80.45 56 A 1 
ATOM 433 C CD  . LYS A 1 56 ? 7.621   6.854   8.628   1.00 78.01 56 A 1 
ATOM 434 C CE  . LYS A 1 56 ? 8.720   6.377   7.681   1.00 70.86 56 A 1 
ATOM 435 N NZ  . LYS A 1 56 ? 9.789   7.396   7.533   1.00 65.90 56 A 1 
ATOM 436 N N   . PHE A 1 57 ? 2.721   5.824   8.231   1.00 90.02 57 A 1 
ATOM 437 C CA  . PHE A 1 57 ? 2.156   5.738   6.892   1.00 90.74 57 A 1 
ATOM 438 C C   . PHE A 1 57 ? 3.205   6.144   5.861   1.00 90.03 57 A 1 
ATOM 439 O O   . PHE A 1 57 ? 3.847   7.183   5.995   1.00 88.22 57 A 1 
ATOM 440 C CB  . PHE A 1 57 ? 0.906   6.603   6.784   1.00 91.04 57 A 1 
ATOM 441 C CG  . PHE A 1 57 ? -0.263  6.041   7.561   1.00 92.17 57 A 1 
ATOM 442 C CD1 . PHE A 1 57 ? -1.046  5.019   7.001   1.00 89.81 57 A 1 
ATOM 443 C CD2 . PHE A 1 57 ? -0.555  6.526   8.849   1.00 90.55 57 A 1 
ATOM 444 C CE1 . PHE A 1 57 ? -2.124  4.480   7.720   1.00 90.35 57 A 1 
ATOM 445 C CE2 . PHE A 1 57 ? -1.633  5.984   9.572   1.00 90.66 57 A 1 
ATOM 446 C CZ  . PHE A 1 57 ? -2.418  4.962   9.003   1.00 91.93 57 A 1 
ATOM 447 N N   . ILE A 1 58 ? 3.368   5.313   4.838   1.00 90.53 58 A 1 
ATOM 448 C CA  . ILE A 1 58 ? 4.282   5.547   3.723   1.00 89.49 58 A 1 
ATOM 449 C C   . ILE A 1 58 ? 3.437   5.659   2.456   1.00 90.78 58 A 1 
ATOM 450 O O   . ILE A 1 58 ? 2.743   4.699   2.126   1.00 89.77 58 A 1 
ATOM 451 C CB  . ILE A 1 58 ? 5.335   4.425   3.623   1.00 86.42 58 A 1 
ATOM 452 C CG1 . ILE A 1 58 ? 6.139   4.323   4.941   1.00 81.32 58 A 1 
ATOM 453 C CG2 . ILE A 1 58 ? 6.264   4.709   2.436   1.00 78.70 58 A 1 
ATOM 454 C CD1 . ILE A 1 58 ? 7.166   3.196   4.954   1.00 73.71 58 A 1 
ATOM 455 N N   . PRO A 1 59 ? 3.465   6.801   1.760   1.00 91.89 59 A 1 
ATOM 456 C CA  . PRO A 1 59 ? 2.771   6.941   0.493   1.00 91.52 59 A 1 
ATOM 457 C C   . PRO A 1 59 ? 3.435   6.061   -0.568  1.00 90.97 59 A 1 
ATOM 458 O O   . PRO A 1 59 ? 4.655   6.079   -0.738  1.00 88.56 59 A 1 
ATOM 459 C CB  . PRO A 1 59 ? 2.833   8.433   0.158   1.00 90.07 59 A 1 
ATOM 460 C CG  . PRO A 1 59 ? 4.120   8.893   0.842   1.00 87.66 59 A 1 
ATOM 461 C CD  . PRO A 1 59 ? 4.200   8.005   2.083   1.00 90.89 59 A 1 
ATOM 462 N N   . VAL A 1 60 ? 2.616   5.282   -1.270  1.00 92.51 60 A 1 
ATOM 463 C CA  . VAL A 1 60 ? 3.018   4.422   -2.380  1.00 92.20 60 A 1 
ATOM 464 C C   . VAL A 1 60 ? 2.149   4.782   -3.572  1.00 93.30 60 A 1 
ATOM 465 O O   . VAL A 1 60 ? 0.928   4.679   -3.487  1.00 92.58 60 A 1 
ATOM 466 C CB  . VAL A 1 60 ? 2.870   2.933   -2.017  1.00 90.25 60 A 1 
ATOM 467 C CG1 . VAL A 1 60 ? 3.355   2.041   -3.161  1.00 86.98 60 A 1 
ATOM 468 C CG2 . VAL A 1 60 ? 3.684   2.577   -0.769  1.00 86.51 60 A 1 
ATOM 469 N N   . PHE A 1 61 ? 2.771   5.226   -4.658  1.00 91.96 61 A 1 
ATOM 470 C CA  . PHE A 1 61 ? 2.087   5.392   -5.930  1.00 92.31 61 A 1 
ATOM 471 C C   . PHE A 1 61 ? 1.975   4.031   -6.610  1.00 92.56 61 A 1 
ATOM 472 O O   . PHE A 1 61 ? 2.966   3.300   -6.696  1.00 91.63 61 A 1 
ATOM 473 C CB  . PHE A 1 61 ? 2.829   6.406   -6.797  1.00 92.03 61 A 1 
ATOM 474 C CG  . PHE A 1 61 ? 2.107   6.698   -8.096  1.00 92.00 61 A 1 
ATOM 475 C CD1 . PHE A 1 61 ? 2.567   6.160   -9.312  1.00 89.13 61 A 1 
ATOM 476 C CD2 . PHE A 1 61 ? 0.948   7.494   -8.088  1.00 89.00 61 A 1 
ATOM 477 C CE1 . PHE A 1 61 ? 1.881   6.429   -10.507 1.00 87.50 61 A 1 
ATOM 478 C CE2 . PHE A 1 61 ? 0.260   7.760   -9.283  1.00 87.81 61 A 1 
ATOM 479 C CZ  . PHE A 1 61 ? 0.730   7.232   -10.494 1.00 88.67 61 A 1 
ATOM 480 N N   . ILE A 1 62 ? 0.760   3.676   -7.025  1.00 93.47 62 A 1 
ATOM 481 C CA  . ILE A 1 62 ? 0.478   2.372   -7.612  1.00 93.62 62 A 1 
ATOM 482 C C   . ILE A 1 62 ? 0.682   2.447   -9.118  1.00 93.68 62 A 1 
ATOM 483 O O   . ILE A 1 62 ? 0.121   3.304   -9.793  1.00 92.47 62 A 1 
ATOM 484 C CB  . ILE A 1 62 ? -0.926  1.880   -7.226  1.00 93.21 62 A 1 
ATOM 485 C CG1 . ILE A 1 62 ? -0.996  1.757   -5.691  1.00 91.15 62 A 1 
ATOM 486 C CG2 . ILE A 1 62 ? -1.223  0.535   -7.903  1.00 90.76 62 A 1 
ATOM 487 C CD1 . ILE A 1 62 ? -2.343  1.286   -5.178  1.00 85.10 62 A 1 
ATOM 488 N N   . THR A 1 63 ? 1.468   1.512   -9.625  1.00 92.53 63 A 1 
ATOM 489 C CA  . THR A 1 63 ? 1.725   1.310   -11.050 1.00 91.51 63 A 1 
ATOM 490 C C   . THR A 1 63 ? 1.181   -0.050  -11.492 1.00 91.57 63 A 1 
ATOM 491 O O   . THR A 1 63 ? 0.933   -0.919  -10.656 1.00 89.06 63 A 1 
ATOM 492 C CB  . THR A 1 63 ? 3.227   1.410   -11.361 1.00 89.67 63 A 1 
ATOM 493 O OG1 . THR A 1 63 ? 3.945   0.399   -10.688 1.00 83.44 63 A 1 
ATOM 494 C CG2 . THR A 1 63 ? 3.830   2.745   -10.934 1.00 81.10 63 A 1 
ATOM 495 N N   . GLU A 1 64 ? 1.044   -0.253  -12.795 1.00 90.73 64 A 1 
ATOM 496 C CA  . GLU A 1 64 ? 0.506   -1.492  -13.386 1.00 89.61 64 A 1 
ATOM 497 C C   . GLU A 1 64 ? 1.291   -2.754  -12.994 1.00 87.55 64 A 1 
ATOM 498 O O   . GLU A 1 64 ? 0.734   -3.835  -12.858 1.00 79.79 64 A 1 
ATOM 499 C CB  . GLU A 1 64 ? 0.504   -1.339  -14.910 1.00 87.38 64 A 1 
ATOM 500 C CG  . GLU A 1 64 ? -0.445  -0.220  -15.363 1.00 79.16 64 A 1 
ATOM 501 C CD  . GLU A 1 64 ? -0.397  0.054   -16.869 1.00 74.08 64 A 1 
ATOM 502 O OE1 . GLU A 1 64 ? -1.215  0.891   -17.310 1.00 68.86 64 A 1 
ATOM 503 O OE2 . GLU A 1 64 ? 0.492   -0.516  -17.546 1.00 68.15 64 A 1 
ATOM 504 N N   . ASN A 1 65 ? 2.581   -2.616  -12.732 1.00 85.04 65 A 1 
ATOM 505 C CA  . ASN A 1 65 ? 3.459   -3.736  -12.371 1.00 83.35 65 A 1 
ATOM 506 C C   . ASN A 1 65 ? 3.388   -4.132  -10.883 1.00 83.41 65 A 1 
ATOM 507 O O   . ASN A 1 65 ? 4.186   -4.952  -10.421 1.00 78.02 65 A 1 
ATOM 508 C CB  . ASN A 1 65 ? 4.887   -3.375  -12.802 1.00 79.48 65 A 1 
ATOM 509 C CG  . ASN A 1 65 ? 5.006   -3.188  -14.305 1.00 72.98 65 A 1 
ATOM 510 O OD1 . ASN A 1 65 ? 4.397   -3.877  -15.095 1.00 62.88 65 A 1 
ATOM 511 N ND2 . ASN A 1 65 ? 5.812   -2.252  -14.748 1.00 64.90 65 A 1 
ATOM 512 N N   . MET A 1 66 ? 2.496   -3.527  -10.098 1.00 87.57 66 A 1 
ATOM 513 C CA  . MET A 1 66 ? 2.365   -3.824  -8.675  1.00 87.37 66 A 1 
ATOM 514 C C   . MET A 1 66 ? 1.245   -4.837  -8.437  1.00 85.76 66 A 1 
ATOM 515 O O   . MET A 1 66 ? 0.084   -4.545  -8.672  1.00 76.64 66 A 1 
ATOM 516 C CB  . MET A 1 66 ? 2.132   -2.535  -7.877  1.00 85.02 66 A 1 
ATOM 517 C CG  . MET A 1 66 ? 3.363   -1.625  -7.888  1.00 81.67 66 A 1 
ATOM 518 S SD  . MET A 1 66 ? 3.222   -0.123  -6.883  1.00 80.16 66 A 1 
ATOM 519 C CE  . MET A 1 66 ? 3.156   -0.822  -5.215  1.00 73.75 66 A 1 
ATOM 520 N N   . GLY A 1 67 ? 1.582   -6.005  -7.898  1.00 86.66 67 A 1 
ATOM 521 C CA  . GLY A 1 67 ? 0.596   -7.038  -7.547  1.00 86.72 67 A 1 
ATOM 522 C C   . GLY A 1 67 ? 0.167   -7.020  -6.080  1.00 88.17 67 A 1 
ATOM 523 O O   . GLY A 1 67 ? -0.986  -7.290  -5.760  1.00 84.43 67 A 1 
ATOM 524 N N   . GLU A 1 68 ? 1.082   -6.710  -5.158  1.00 84.66 68 A 1 
ATOM 525 C CA  . GLU A 1 68 ? 0.809   -6.644  -3.725  1.00 85.17 68 A 1 
ATOM 526 C C   . GLU A 1 68 ? 1.739   -5.663  -3.004  1.00 85.79 68 A 1 
ATOM 527 O O   . GLU A 1 68 ? 2.850   -5.364  -3.443  1.00 83.00 68 A 1 
ATOM 528 C CB  . GLU A 1 68 ? 0.844   -8.051  -3.076  1.00 81.35 68 A 1 
ATOM 529 C CG  . GLU A 1 68 ? 2.192   -8.795  -3.141  1.00 72.44 68 A 1 
ATOM 530 C CD  . GLU A 1 68 ? 2.185   -10.143 -2.369  1.00 70.36 68 A 1 
ATOM 531 O OE1 . GLU A 1 68 ? 3.277   -10.628 -1.998  1.00 64.63 68 A 1 
ATOM 532 O OE2 . GLU A 1 68 ? 1.114   -10.720 -2.061  1.00 64.72 68 A 1 
ATOM 533 N N   . PHE A 1 69 ? 1.293   -5.175  -1.843  1.00 84.12 69 A 1 
ATOM 534 C CA  . PHE A 1 69 ? 2.177   -4.443  -0.943  1.00 83.10 69 A 1 
ATOM 535 C C   . PHE A 1 69 ? 3.141   -5.415  -0.266  1.00 79.20 69 A 1 
ATOM 536 O O   . PHE A 1 69 ? 2.746   -6.232  0.569   1.00 71.99 69 A 1 
ATOM 537 C CB  . PHE A 1 69 ? 1.364   -3.665  0.093   1.00 84.71 69 A 1 
ATOM 538 C CG  . PHE A 1 69 ? 0.499   -2.579  -0.497  1.00 87.61 69 A 1 
ATOM 539 C CD1 . PHE A 1 69 ? 1.084   -1.429  -1.052  1.00 85.16 69 A 1 
ATOM 540 C CD2 . PHE A 1 69 ? -0.900  -2.727  -0.496  1.00 85.91 69 A 1 
ATOM 541 C CE1 . PHE A 1 69 ? 0.274   -0.426  -1.598  1.00 85.87 69 A 1 
ATOM 542 C CE2 . PHE A 1 69 ? -1.712  -1.722  -1.041  1.00 86.15 69 A 1 
ATOM 543 C CZ  . PHE A 1 69 ? -1.126  -0.569  -1.592  1.00 88.27 69 A 1 
ATOM 544 N N   . SER A 1 70 ? 4.422   -5.304  -0.563  1.00 71.90 70 A 1 
ATOM 545 C CA  . SER A 1 70 ? 5.425   -6.184  0.033   1.00 68.09 70 A 1 
ATOM 546 C C   . SER A 1 70 ? 5.414   -6.097  1.567   1.00 67.18 70 A 1 
ATOM 547 O O   . SER A 1 70 ? 5.544   -5.006  2.134   1.00 60.36 70 A 1 
ATOM 548 C CB  . SER A 1 70 ? 6.818   -5.857  -0.505  1.00 62.24 70 A 1 
ATOM 549 O OG  . SER A 1 70 ? 7.782   -6.668  0.153   1.00 54.40 70 A 1 
ATOM 550 N N   . PRO A 1 71 ? 5.335   -7.241  2.278   1.00 60.19 71 A 1 
ATOM 551 C CA  . PRO A 1 71 ? 5.362   -7.262  3.739   1.00 58.05 71 A 1 
ATOM 552 C C   . PRO A 1 71 ? 6.730   -6.909  4.325   1.00 58.29 71 A 1 
ATOM 553 O O   . PRO A 1 71 ? 6.806   -6.511  5.486   1.00 54.82 71 A 1 
ATOM 554 C CB  . PRO A 1 71 ? 4.916   -8.681  4.115   1.00 53.75 71 A 1 
ATOM 555 C CG  . PRO A 1 71 ? 5.351   -9.531  2.926   1.00 51.70 71 A 1 
ATOM 556 C CD  . PRO A 1 71 ? 5.167   -8.592  1.742   1.00 53.31 71 A 1 
ATOM 557 N N   . THR A 1 72 ? 7.804   -7.015  3.547   1.00 53.05 72 A 1 
ATOM 558 C CA  . THR A 1 72 ? 9.186   -6.773  3.991   1.00 53.13 72 A 1 
ATOM 559 C C   . THR A 1 72 ? 9.779   -5.485  3.431   1.00 55.01 72 A 1 
ATOM 560 O O   . THR A 1 72 ? 10.670  -4.904  4.049   1.00 50.95 72 A 1 
ATOM 561 C CB  . THR A 1 72 ? 10.086  -7.951  3.598   1.00 48.68 72 A 1 
ATOM 562 O OG1 . THR A 1 72 ? 9.988   -8.186  2.207   1.00 43.78 72 A 1 
ATOM 563 C CG2 . THR A 1 72 ? 9.675   -9.243  4.306   1.00 43.05 72 A 1 
ATOM 564 N N   . ARG A 1 73 ? 9.292   -4.996  2.292   1.00 55.67 73 A 1 
ATOM 565 C CA  . ARG A 1 73 ? 9.832   -3.792  1.655   1.00 56.10 73 A 1 
ATOM 566 C C   . ARG A 1 73 ? 9.453   -2.540  2.444   1.00 57.16 73 A 1 
ATOM 567 O O   . ARG A 1 73 ? 8.284   -2.254  2.679   1.00 55.74 73 A 1 
ATOM 568 C CB  . ARG A 1 73 ? 9.386   -3.735  0.180   1.00 52.05 73 A 1 
ATOM 569 C CG  . ARG A 1 73 ? 10.063  -2.595  -0.595  1.00 47.57 73 A 1 
ATOM 570 C CD  . ARG A 1 73 ? 9.739   -2.708  -2.087  1.00 45.49 73 A 1 
ATOM 571 N NE  . ARG A 1 73 ? 10.398  -1.637  -2.863  1.00 42.10 73 A 1 
ATOM 572 C CZ  . ARG A 1 73 ? 10.380  -1.518  -4.185  1.00 39.95 73 A 1 
ATOM 573 N NH1 . ARG A 1 73 ? 9.746   -2.367  -4.950  1.00 38.00 73 A 1 
ATOM 574 N NH2 . ARG A 1 73 ? 11.000  -0.530  -4.765  1.00 36.61 73 A 1 
ATOM 575 N N   . ILE A 1 74 ? 10.465  -1.768  2.802   1.00 56.80 74 A 1 
ATOM 576 C CA  . ILE A 1 74 ? 10.293  -0.418  3.324   1.00 56.66 74 A 1 
ATOM 577 C C   . ILE A 1 74 ? 10.362  0.531   2.132   1.00 55.59 74 A 1 
ATOM 578 O O   . ILE A 1 74 ? 11.422  0.694   1.525   1.00 52.75 74 A 1 
ATOM 579 C CB  . ILE A 1 74 ? 11.350  -0.084  4.397   1.00 54.73 74 A 1 
ATOM 580 C CG1 . ILE A 1 74 ? 11.310  -1.112  5.556   1.00 51.30 74 A 1 
ATOM 581 C CG2 . ILE A 1 74 ? 11.109  1.338   4.930   1.00 50.72 74 A 1 
ATOM 582 C CD1 . ILE A 1 74 ? 12.439  -0.933  6.579   1.00 48.77 74 A 1 
ATOM 583 N N   . PHE A 1 75 ? 9.228   1.171   1.799   1.00 53.29 75 A 1 
ATOM 584 C CA  . PHE A 1 75 ? 9.185   2.176   0.746   1.00 53.04 75 A 1 
ATOM 585 C C   . PHE A 1 75 ? 9.824   3.463   1.279   1.00 54.01 75 A 1 
ATOM 586 O O   . PHE A 1 75 ? 9.204   4.220   2.022   1.00 51.65 75 A 1 
ATOM 587 C CB  . PHE A 1 75 ? 7.737   2.374   0.282   1.00 49.32 75 A 1 
ATOM 588 C CG  . PHE A 1 75 ? 7.086   1.123   -0.276  1.00 47.40 75 A 1 
ATOM 589 C CD1 . PHE A 1 75 ? 7.241   0.783   -1.625  1.00 45.27 75 A 1 
ATOM 590 C CD2 . PHE A 1 75 ? 6.314   0.298   0.559   1.00 43.88 75 A 1 
ATOM 591 C CE1 . PHE A 1 75 ? 6.623   -0.362  -2.145  1.00 42.00 75 A 1 
ATOM 592 C CE2 . PHE A 1 75 ? 5.697   -0.853  0.046   1.00 41.26 75 A 1 
ATOM 593 C CZ  . PHE A 1 75 ? 5.845   -1.183  -1.313  1.00 40.89 75 A 1 
ATOM 594 N N   . ARG A 1 76 ? 11.098  3.699   0.955   1.00 59.17 76 A 1 
ATOM 595 C CA  . ARG A 1 76 ? 11.785  4.963   1.244   1.00 59.68 76 A 1 
ATOM 596 C C   . ARG A 1 76 ? 11.888  5.744   -0.061  1.00 58.75 76 A 1 
ATOM 597 O O   . ARG A 1 76 ? 12.348  5.197   -1.057  1.00 55.51 76 A 1 
ATOM 598 C CB  . ARG A 1 76 ? 13.161  4.716   1.883   1.00 57.32 76 A 1 
ATOM 599 C CG  . ARG A 1 76 ? 13.036  4.061   3.273   1.00 53.42 76 A 1 
ATOM 600 C CD  . ARG A 1 76 ? 14.413  3.868   3.918   1.00 52.63 76 A 1 
ATOM 601 N NE  . ARG A 1 76 ? 14.308  3.192   5.229   1.00 50.07 76 A 1 
ATOM 602 C CZ  . ARG A 1 76 ? 15.314  2.870   6.029   1.00 47.08 76 A 1 
ATOM 603 N NH1 . ARG A 1 76 ? 16.555  3.155   5.731   1.00 44.89 76 A 1 
ATOM 604 N NH2 . ARG A 1 76 ? 15.090  2.243   7.148   1.00 42.35 76 A 1 
ATOM 605 N N   . GLY A 1 77 ? 11.455  6.996   -0.041  1.00 54.92 77 A 1 
ATOM 606 C CA  . GLY A 1 77 ? 11.837  7.927   -1.102  1.00 55.16 77 A 1 
ATOM 607 C C   . GLY A 1 77 ? 13.352  8.142   -1.080  1.00 56.34 77 A 1 
ATOM 608 O O   . GLY A 1 77 ? 13.989  7.974   -0.033  1.00 53.80 77 A 1 
ATOM 609 N N   . HIS A 1 78 ? 13.936  8.518   -2.221  1.00 58.34 78 A 1 
ATOM 610 C CA  . HIS A 1 78 ? 15.298  9.039   -2.213  1.00 60.59 78 A 1 
ATOM 611 C C   . HIS A 1 78 ? 15.330  10.236  -1.263  1.00 60.79 78 A 1 
ATOM 612 O O   . HIS A 1 78 ? 14.622  11.222  -1.468  1.00 58.12 78 A 1 
ATOM 613 C CB  . HIS A 1 78 ? 15.758  9.415   -3.633  1.00 57.71 78 A 1 
ATOM 614 C CG  . HIS A 1 78 ? 16.276  8.220   -4.400  1.00 53.95 78 A 1 
ATOM 615 N ND1 . HIS A 1 78 ? 17.505  7.612   -4.219  1.00 50.05 78 A 1 
ATOM 616 C CD2 . HIS A 1 78 ? 15.632  7.525   -5.386  1.00 47.44 78 A 1 
ATOM 617 C CE1 . HIS A 1 78 ? 17.592  6.583   -5.081  1.00 48.82 78 A 1 
ATOM 618 N NE2 . HIS A 1 78 ? 16.472  6.487   -5.812  1.00 48.87 78 A 1 
ATOM 619 N N   . ALA A 1 79 ? 16.128  10.141  -0.206  1.00 58.95 79 A 1 
ATOM 620 C CA  . ALA A 1 79 ? 16.508  11.325  0.540   1.00 59.70 79 A 1 
ATOM 621 C C   . ALA A 1 79 ? 17.282  12.190  -0.452  1.00 60.81 79 A 1 
ATOM 622 O O   . ALA A 1 79 ? 18.393  11.839  -0.830  1.00 56.23 79 A 1 
ATOM 623 C CB  . ALA A 1 79 ? 17.330  10.910  1.771   1.00 56.07 79 A 1 
ATOM 624 N N   . GLY A 1 80 ? 16.644  13.255  -0.941  1.00 56.32 80 A 1 
ATOM 625 C CA  . GLY A 1 80 ? 17.340  14.233  -1.771  1.00 59.05 80 A 1 
ATOM 626 C C   . GLY A 1 80 ? 18.627  14.651  -1.065  1.00 59.72 80 A 1 
ATOM 627 O O   . GLY A 1 80 ? 18.681  14.640  0.170   1.00 56.63 80 A 1 
ATOM 628 N N   . ASN A 1 81 ? 19.655  14.989  -1.845  1.00 58.32 81 A 1 
ATOM 629 C CA  . ASN A 1 81 ? 20.956  15.406  -1.328  1.00 62.30 81 A 1 
ATOM 630 C C   . ASN A 1 81 ? 20.761  16.395  -0.172  1.00 62.29 81 A 1 
ATOM 631 O O   . ASN A 1 81 ? 20.401  17.552  -0.394  1.00 58.49 81 A 1 
ATOM 632 C CB  . ASN A 1 81 ? 21.773  16.049  -2.469  1.00 58.59 81 A 1 
ATOM 633 C CG  . ASN A 1 81 ? 22.372  15.027  -3.423  1.00 51.99 81 A 1 
ATOM 634 O OD1 . ASN A 1 81 ? 22.589  13.879  -3.084  1.00 48.98 81 A 1 
ATOM 635 N ND2 . ASN A 1 81 ? 22.675  15.423  -4.640  1.00 49.31 81 A 1 
ATOM 636 N N   . LYS A 1 82 ? 20.978  15.929  1.064   1.00 58.24 82 A 1 
ATOM 637 C CA  . LYS A 1 82 ? 21.104  16.832  2.200   1.00 61.27 82 A 1 
ATOM 638 C C   . LYS A 1 82 ? 22.335  17.674  1.895   1.00 61.35 82 A 1 
ATOM 639 O O   . LYS A 1 82 ? 23.452  17.175  1.995   1.00 58.44 82 A 1 
ATOM 640 C CB  . LYS A 1 82 ? 21.251  16.068  3.526   1.00 58.02 82 A 1 
ATOM 641 C CG  . LYS A 1 82 ? 19.929  15.452  4.007   1.00 53.17 82 A 1 
ATOM 642 C CD  . LYS A 1 82 ? 20.128  14.808  5.391   1.00 51.83 82 A 1 
ATOM 643 C CE  . LYS A 1 82 ? 18.807  14.251  5.923   1.00 47.48 82 A 1 
ATOM 644 N NZ  . LYS A 1 82 ? 18.983  13.650  7.271   1.00 44.42 82 A 1 
ATOM 645 N N   . ARG A 1 83 ? 22.112  18.906  1.452   1.00 61.82 83 A 1 
ATOM 646 C CA  . ARG A 1 83 ? 23.186  19.896  1.433   1.00 64.50 83 A 1 
ATOM 647 C C   . ARG A 1 83 ? 23.701  19.986  2.869   1.00 63.41 83 A 1 
ATOM 648 O O   . ARG A 1 83 ? 22.901  20.189  3.785   1.00 59.82 83 A 1 
ATOM 649 C CB  . ARG A 1 83 ? 22.682  21.255  0.893   1.00 61.89 83 A 1 
ATOM 650 C CG  . ARG A 1 83 ? 22.411  21.202  -0.625  1.00 55.56 83 A 1 
ATOM 651 C CD  . ARG A 1 83 ? 21.991  22.588  -1.148  1.00 53.88 83 A 1 
ATOM 652 N NE  . ARG A 1 83 ? 21.859  22.599  -2.621  1.00 51.00 83 A 1 
ATOM 653 C CZ  . ARG A 1 83 ? 21.550  23.655  -3.370  1.00 45.19 83 A 1 
ATOM 654 N NH1 . ARG A 1 83 ? 21.282  24.822  -2.851  1.00 45.60 83 A 1 
ATOM 655 N NH2 . ARG A 1 83 ? 21.500  23.550  -4.672  1.00 42.78 83 A 1 
ATOM 656 N N   . LYS A 1 84 ? 24.962  19.682  3.052   1.00 58.49 84 A 1 
ATOM 657 C CA  . LYS A 1 84 ? 25.685  20.023  4.277   1.00 61.62 84 A 1 
ATOM 658 C C   . LYS A 1 84 ? 25.729  21.538  4.406   1.00 57.30 84 A 1 
ATOM 659 O O   . LYS A 1 84 ? 25.809  22.208  3.355   1.00 52.64 84 A 1 
ATOM 660 C CB  . LYS A 1 84 ? 27.112  19.457  4.264   1.00 59.36 84 A 1 
ATOM 661 C CG  . LYS A 1 84 ? 27.190  17.955  4.577   1.00 54.36 84 A 1 
ATOM 662 C CD  . LYS A 1 84 ? 28.667  17.532  4.663   1.00 53.35 84 A 1 
ATOM 663 C CE  . LYS A 1 84 ? 28.813  16.063  5.078   1.00 49.62 84 A 1 
ATOM 664 N NZ  . LYS A 1 84 ? 30.245  15.686  5.212   1.00 43.79 84 A 1 
ATOM 665 O OXT . LYS A 1 84 ? 25.713  21.962  5.582   1.00 52.30 84 A 1 
#
