data_ma-asfv-asfvg-014
_entry.id ma-asfv-asfvg-014
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-014
_struct.pdbx_model_details
'Model generated using AlphaFold (v2.2.0) producing 5 models with 3 recycles each, with AMBER relaxation, using templates, ranked by pLDDT, starting from an MSA with full_dbs setting.'
_struct.pdbx_structure_determination_methodology computational
_struct.title 'AlphaFold model for ASFV-G ASFV G ACD 00190'

_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/557bda7/base/mmcif_ma-core.dic
_audit_conform.dict_name mmcif_ma.dic
_audit_conform.dict_version 1.4.1

loop_
_citation.id
_citation.title
_citation.journal_abbrev
_citation.journal_volume
_citation.page_first
_citation.page_last
_citation.year
_citation.pdbx_database_id_PubMed
_citation.pdbx_database_id_DOI
1 'Highly accurate protein structure prediction with AlphaFold.' Nature 596 583 589 2021 34265844 10.1038/s41586-021-03819-2

loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
1 'Jumper, J.' 1
1 'Evans, R.' 2
1 'Pritzel, A.' 3
1 'Green, T.' 4
1 'Figurnov, M.' 5
1 'Ronneberger, O.' 6
1 'Tunyasuvunakool, K.' 7
1 'Bates, R.' 8
1 'Zidek, A.' 9
1 'Potapenko, A.' 10
1 'Bridgland, A.' 11
1 'Meyer, C.' 12
1 'Kohl, S.A.A.' 13
1 'Ballard, A.J.' 14
1 'Cowie, A.' 15
1 'Romera-Paredes, B.' 16
1 'Nikolov, S.' 17
1 'Jain, R.' 18
1 'Adler, J.' 19
1 'Back, T.' 20
1 'Petersen, S.' 21
1 'Reiman, D.' 22
1 'Clancy, E.' 23
1 'Zielinski, M.' 24
1 'Steinegger, M.' 25
1 'Pacholska, M.' 26
1 'Berghammer, T.' 27
1 'Bodenstein, S.' 28
1 'Silver, D.' 29
1 'Vinyals, O.' 30
1 'Senior, A.W.' 31
1 'Kavukcuoglu, K.' 32
1 'Kohli, P.' 33
1 'Hassabis, D.' 34

loop_
_software.pdbx_ordinal
_software.name
_software.classification
_software.description
_software.version
_software.type
_software.location
_software.citation_id
1 AlphaFold 'model building' 'Structure prediction' 2.2.0 package https://github.com/deepmind/alphafold 1

loop_
_ma_software_parameter.parameter_id
_ma_software_parameter.group_id
_ma_software_parameter.data_type
_ma_software_parameter.name
_ma_software_parameter.value
_ma_software_parameter.description
1 1 string model_preset monomer .
2 1 string db_preset full_dbs .
3 1 boolean use_gpu_relax YES .
4 1 string max_template_date 2020-05-14 .

loop_
_ma_software_group.ordinal_id
_ma_software_group.group_id
_ma_software_group.software_id
_ma_software_group.parameter_group_id
1 1 1 1

loop_
_audit_author.name
_audit_author.pdbx_ordinal
'Spinard, Edward' 1
'Azzinaro, Paul' 2
'Rai, Ayushi' 3
'Espinoza, Nallely' 4
'Ramirez-Medina, Elizabeth' 5
'Valladares, Alyssa' 6
'Borca, Manuel' 7
'Gladue, Douglas' 8

loop_
_chem_comp.id
_chem_comp.type
_chem_comp.name
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.ma_provenance
ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core'
ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core'
GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core'
HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core'
ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core'
LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core'
LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core'
MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core'
PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core'
PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core'
SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core'
THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core'
TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core'
TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core'
VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core'

loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.details
1 polymer nat 'ASFV-G ASFV G ACD 00190 protein' 5603.529 1 .

loop_
_entity_src_nat.entity_id
_entity_src_nat.pdbx_src_id
_entity_src_nat.pdbx_ncbi_taxonomy_id
_entity_src_nat.pdbx_organism_scientific
_entity_src_nat.common_name
_entity_src_nat.strain
1 1 10497 'African swine fever virus (ASFV)' . .

loop_
_ma_target_ref_db_details.target_entity_id
_ma_target_ref_db_details.db_name
_ma_target_ref_db_details.db_name_other_details
_ma_target_ref_db_details.db_code
_ma_target_ref_db_details.db_accession
_ma_target_ref_db_details.seq_db_isoform
_ma_target_ref_db_details.seq_db_align_begin
_ma_target_ref_db_details.seq_db_align_end
_ma_target_ref_db_details.ncbi_taxonomy_id
_ma_target_ref_db_details.organism_scientific
_ma_target_ref_db_details.seq_db_sequence_version_date
_ma_target_ref_db_details.seq_db_sequence_checksum
1 UNP . A0A385KLW9_ASF A0A385KLW9 . 1 41 10497 'African swine fever virus (ASFV)' 2018-12-05 D1D9813B5BB4D72D
1 NCBI . CAD2068355.1 1886136880 . 1 41 10497 'African swine fever virus (ASFV)' 2020-08-05 .

loop_
_entity_poly.entity_id
_entity_poly.type
_entity_poly.nstd_linkage
_entity_poly.nstd_monomer
_entity_poly.pdbx_strand_id
_entity_poly.pdbx_seq_one_letter_code
_entity_poly.pdbx_seq_one_letter_code_can
1 polypeptide(L) no no A MFFFSYFATGNIKWWPVHLFNKKILTNLLLSLSLTYPVTIL MFFFSYFATGNIKWWPVHLFNKKILTNLLLSLSLTYPVTIL

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET .
1 2 PHE .
1 3 PHE .
1 4 PHE .
1 5 SER .
1 6 TYR .
1 7 PHE .
1 8 ALA .
1 9 THR .
1 10 GLY .
1 11 ASN .
1 12 ILE .
1 13 LYS .
1 14 TRP .
1 15 TRP .
1 16 PRO .
1 17 VAL .
1 18 HIS .
1 19 LEU .
1 20 PHE .
1 21 ASN .
1 22 LYS .
1 23 LYS .
1 24 ILE .
1 25 LEU .
1 26 THR .
1 27 ASN .
1 28 LEU .
1 29 LEU .
1 30 LEU .
1 31 SER .
1 32 LEU .
1 33 SER .
1 34 LEU .
1 35 THR .
1 36 TYR .
1 37 PRO .
1 38 VAL .
1 39 THR .
1 40 ILE .
1 41 LEU .

loop_
_struct_asym.id
_struct_asym.entity_id
_struct_asym.details
A 1 .

loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.seq_id
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.pdb_mon_id
_pdbx_poly_seq_scheme.auth_mon_id
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.pdb_ins_code
A 1 1 MET 1 1 MET MET A .
A 1 2 PHE 2 2 PHE PHE A .
A 1 3 PHE 3 3 PHE PHE A .
A 1 4 PHE 4 4 PHE PHE A .
A 1 5 SER 5 5 SER SER A .
A 1 6 TYR 6 6 TYR TYR A .
A 1 7 PHE 7 7 PHE PHE A .
A 1 8 ALA 8 8 ALA ALA A .
A 1 9 THR 9 9 THR THR A .
A 1 10 GLY 10 10 GLY GLY A .
A 1 11 ASN 11 11 ASN ASN A .
A 1 12 ILE 12 12 ILE ILE A .
A 1 13 LYS 13 13 LYS LYS A .
A 1 14 TRP 14 14 TRP TRP A .
A 1 15 TRP 15 15 TRP TRP A .
A 1 16 PRO 16 16 PRO PRO A .
A 1 17 VAL 17 17 VAL VAL A .
A 1 18 HIS 18 18 HIS HIS A .
A 1 19 LEU 19 19 LEU LEU A .
A 1 20 PHE 20 20 PHE PHE A .
A 1 21 ASN 21 21 ASN ASN A .
A 1 22 LYS 22 22 LYS LYS A .
A 1 23 LYS 23 23 LYS LYS A .
A 1 24 ILE 24 24 ILE ILE A .
A 1 25 LEU 25 25 LEU LEU A .
A 1 26 THR 26 26 THR THR A .
A 1 27 ASN 27 27 ASN ASN A .
A 1 28 LEU 28 28 LEU LEU A .
A 1 29 LEU 29 29 LEU LEU A .
A 1 30 LEU 30 30 LEU LEU A .
A 1 31 SER 31 31 SER SER A .
A 1 32 LEU 32 32 LEU LEU A .
A 1 33 SER 33 33 SER SER A .
A 1 34 LEU 34 34 LEU LEU A .
A 1 35 THR 35 35 THR THR A .
A 1 36 TYR 36 36 TYR TYR A .
A 1 37 PRO 37 37 PRO PRO A .
A 1 38 VAL 38 38 VAL VAL A .
A 1 39 THR 39 39 THR THR A .
A 1 40 ILE 40 40 ILE ILE A .
A 1 41 LEU 41 41 LEU LEU A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G ASFV G ACD 00190 protein' target .
2 'Model 3 (top ranked model)' 'model coordinates' .
3 BFD 'reference database' .
4 MGnify 'reference database' .
5 Uniclust30 'reference database' .
8 UniRef90 'reference database' .
9 PDB70 'reference database' .

loop_
_ma_data_group.ordinal_id
_ma_data_group.group_id
_ma_data_group.data_id
1 1 1
2 1 3
3 1 4
4 1 5
7 1 8
8 1 9
9 2 2

loop_
_ma_data_ref_db.data_id
_ma_data_ref_db.name
_ma_data_ref_db.location_url
_ma_data_ref_db.version
_ma_data_ref_db.release_date
3 BFD https://storage.googleapis.com/alphafold-databases/casp14_versions/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt.tar.gz 6a634dc6eb105c2e9b4cba7bbae93412 .
4 MGnify https://storage.googleapis.com/alphafold-databases/casp14_versions/mgy_clusters_2018_12.fa.gz 2018_12 2018-12-06
5 Uniclust30 https://storage.googleapis.com/alphafold-databases/casp14_versions/uniclust30_2018_08_hhsuite.tar.gz 2018_08 .
8 UniRef90 ftp://ftp.uniprot.org/pub/databases/uniprot/uniref/uniref90/uniref90.fasta.gz 2022_01 2022-02-23
9 PDB70 http://wwwuser.gwdg.de/~compbiol/data/hhsuite/databases/hhsuite_dbs/old-releases/pdb70_from_mmcif_200401.tar.gz . 2020-04-01

loop_
_ma_target_entity.entity_id
_ma_target_entity.data_id
_ma_target_entity.origin
1 1 'reference database'

loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.entity_id
_ma_target_entity_instance.details
A 1 .

loop_
_ma_protocol_step.ordinal_id
_ma_protocol_step.protocol_id
_ma_protocol_step.step_id
_ma_protocol_step.method_type
_ma_protocol_step.step_name
_ma_protocol_step.details
_ma_protocol_step.software_group_id
_ma_protocol_step.input_data_group_id
_ma_protocol_step.output_data_group_id
1 1 1 modeling . 'Model generated using AlphaFold (v2.2.0) producing 5 models with 3 recycles each, with AMBER relaxation, using templates, ranked by pLDDT, starting from an MSA with full_dbs setting.' 1 1 2

loop_
_ma_model_list.ordinal_id
_ma_model_list.model_id
_ma_model_list.model_group_id
_ma_model_list.model_name
_ma_model_list.model_group_name
_ma_model_list.data_id
_ma_model_list.model_type
_ma_model_list.model_type_other_details
1 1 1 'Model 3 (top ranked model)' . 2 'Ab initio model' .

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_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.label_entity_id
_atom_site.auth_asym_id
_atom_site.B_iso_or_equiv
_atom_site.pdbx_PDB_model_num
ATOM 1 N N . MET 1 1 ? A 10.607 19.897 -25.551 1.000 1 A 53.230 1
ATOM 2 C CA . MET 1 1 ? A 10.809 18.430 -25.467 1.000 1 A 53.230 1
ATOM 3 C C . MET 1 1 ? A 11.594 17.980 -24.224 1.000 1 A 53.230 1
ATOM 4 O O . MET 1 1 ? A 11.296 16.914 -23.713 1.000 1 A 53.230 1
ATOM 5 C CB . MET 1 1 ? A 11.433 17.882 -26.760 1.000 1 A 53.230 1
ATOM 6 C CG . MET 1 1 ? A 10.909 16.483 -27.103 1.000 1 A 53.230 1
ATOM 7 S SD . MET 1 1 ? A 9.184 16.457 -27.657 1.000 1 A 53.230 1
ATOM 8 C CE . MET 1 1 ? A 9.105 14.766 -28.322 1.000 1 A 53.230 1
ATOM 9 H H . MET 1 1 ? A 11.478 20.369 -25.747 1.000 1 A 53.230 1
ATOM 10 H H2 . MET 1 1 ? A 10.206 20.251 -24.695 1.000 1 A 53.230 1
ATOM 11 H HA . MET 1 1 ? A 9.826 17.969 -25.379 1.000 1 A 53.230 1
ATOM 12 H HB2 . MET 1 1 ? A 12.517 17.846 -26.656 1.000 1 A 53.230 1
ATOM 13 H HB3 . MET 1 1 ? A 11.196 18.540 -27.597 1.000 1 A 53.230 1
ATOM 14 H HG2 . MET 1 1 ? A 11.023 15.823 -26.242 1.000 1 A 53.230 1
ATOM 15 H HG3 . MET 1 1 ? A 11.524 16.088 -27.911 1.000 1 A 53.230 1
ATOM 16 H HE1 . MET 1 1 ? A 8.103 14.573 -28.706 1.000 1 A 53.230 1
ATOM 17 H HE2 . MET 1 1 ? A 9.331 14.048 -27.534 1.000 1 A 53.230 1
ATOM 18 H HE3 . MET 1 1 ? A 9.824 14.653 -29.132 1.000 1 A 53.230 1
ATOM 19 H H3 . MET 1 1 ? A 9.966 20.098 -26.305 1.000 1 A 53.230 1
ATOM 20 N N . PHE 2 2 ? A 12.547 18.764 -23.691 1.000 1 A 57.370 1
ATOM 21 C CA . PHE 2 2 ? A 13.450 18.328 -22.603 1.000 1 A 57.370 1
ATOM 22 C C . PHE 2 2 ? A 12.822 18.109 -21.206 1.000 1 A 57.370 1
ATOM 23 O O . PHE 2 2 ? A 13.378 17.355 -20.413 1.000 1 A 57.370 1
ATOM 24 C CB . PHE 2 2 ? A 14.623 19.322 -22.518 1.000 1 A 57.370 1
ATOM 25 C CG . PHE 2 2 ? A 15.790 18.952 -23.415 1.000 1 A 57.370 1
ATOM 26 C CD1 . PHE 2 2 ? A 16.825 18.149 -22.899 1.000 1 A 57.370 1
ATOM 27 C CD2 . PHE 2 2 ? A 15.847 19.386 -24.754 1.000 1 A 57.370 1
ATOM 28 C CE1 . PHE 2 2 ? A 17.909 17.781 -23.714 1.000 1 A 57.370 1
ATOM 29 C CE2 . PHE 2 2 ? A 16.929 19.010 -25.571 1.000 1 A 57.370 1
ATOM 30 C CZ . PHE 2 2 ? A 17.960 18.209 -25.051 1.000 1 A 57.370 1
ATOM 31 H H . PHE 2 2 ? A 12.834 19.611 -24.160 1.000 1 A 57.370 1
ATOM 32 H HA . PHE 2 2 ? A 13.867 17.358 -22.875 1.000 1 A 57.370 1
ATOM 33 H HB2 . PHE 2 2 ? A 14.285 20.332 -22.747 1.000 1 A 57.370 1
ATOM 34 H HB3 . PHE 2 2 ? A 14.994 19.345 -21.493 1.000 1 A 57.370 1
ATOM 35 H HD1 . PHE 2 2 ? A 16.794 17.814 -21.873 1.000 1 A 57.370 1
ATOM 36 H HD2 . PHE 2 2 ? A 15.076 20.026 -25.158 1.000 1 A 57.370 1
ATOM 37 H HE1 . PHE 2 2 ? A 18.708 17.175 -23.313 1.000 1 A 57.370 1
ATOM 38 H HE2 . PHE 2 2 ? A 16.985 19.352 -26.595 1.000 1 A 57.370 1
ATOM 39 H HZ . PHE 2 2 ? A 18.798 17.933 -25.674 1.000 1 A 57.370 1
ATOM 40 N N . PHE 3 3 ? A 11.667 18.710 -20.892 1.000 1 A 57.170 1
ATOM 41 C CA . PHE 3 3 ? A 11.042 18.580 -19.563 1.000 1 A 57.170 1
ATOM 42 C C . PHE 3 3 ? A 10.500 17.171 -19.266 1.000 1 A 57.170 1
ATOM 43 O O . PHE 3 3 ? A 10.635 16.686 -18.144 1.000 1 A 57.170 1
ATOM 44 C CB . PHE 3 3 ? A 9.939 19.638 -19.404 1.000 1 A 57.170 1
ATOM 45 C CG . PHE 3 3 ? A 10.462 20.991 -18.961 1.000 1 A 57.170 1
ATOM 46 C CD1 . PHE 3 3 ? A 10.636 21.247 -17.587 1.000 1 A 57.170 1
ATOM 47 C CD2 . PHE 3 3 ? A 10.786 21.988 -19.902 1.000 1 A 57.170 1
ATOM 48 C CE1 . PHE 3 3 ? A 11.129 22.490 -17.155 1.000 1 A 57.170 1
ATOM 49 C CE2 . PHE 3 3 ? A 11.283 23.232 -19.469 1.000 1 A 57.170 1
ATOM 50 C CZ . PHE 3 3 ? A 11.454 23.482 -18.096 1.000 1 A 57.170 1
ATOM 51 H H . PHE 3 3 ? A 11.264 19.371 -21.542 1.000 1 A 57.170 1
ATOM 52 H HA . PHE 3 3 ? A 11.798 18.773 -18.802 1.000 1 A 57.170 1
ATOM 53 H HB2 . PHE 3 3 ? A 9.235 19.296 -18.646 1.000 1 A 57.170 1
ATOM 54 H HB3 . PHE 3 3 ? A 9.379 19.740 -20.334 1.000 1 A 57.170 1
ATOM 55 H HD1 . PHE 3 3 ? A 10.390 20.490 -16.857 1.000 1 A 57.170 1
ATOM 56 H HD2 . PHE 3 3 ? A 10.644 21.811 -20.958 1.000 1 A 57.170 1
ATOM 57 H HE1 . PHE 3 3 ? A 11.257 22.686 -16.101 1.000 1 A 57.170 1
ATOM 58 H HE2 . PHE 3 3 ? A 11.524 24.004 -20.184 1.000 1 A 57.170 1
ATOM 59 H HZ . PHE 3 3 ? A 11.829 24.438 -17.762 1.000 1 A 57.170 1
ATOM 60 N N . PHE 4 4 ? A 9.936 16.483 -20.266 1.000 1 A 62.540 1
ATOM 61 C CA . PHE 4 4 ? A 9.368 15.143 -20.074 1.000 1 A 62.540 1
ATOM 62 C C . PHE 4 4 ? A 10.437 14.102 -19.729 1.000 1 A 62.540 1
ATOM 63 O O . PHE 4 4 ? A 10.201 13.244 -18.883 1.000 1 A 62.540 1
ATOM 64 C CB . PHE 4 4 ? A 8.585 14.724 -21.325 1.000 1 A 62.540 1
ATOM 65 C CG . PHE 4 4 ? A 7.308 15.513 -21.531 1.000 1 A 62.540 1
ATOM 66 C CD1 . PHE 4 4 ? A 6.164 15.199 -20.774 1.000 1 A 62.540 1
ATOM 67 C CD2 . PHE 4 4 ? A 7.258 16.558 -22.474 1.000 1 A 62.540 1
ATOM 68 C CE1 . PHE 4 4 ? A 4.975 15.926 -20.956 1.000 1 A 62.540 1
ATOM 69 C CE2 . PHE 4 4 ? A 6.068 17.288 -22.652 1.000 1 A 62.540 1
ATOM 70 C CZ . PHE 4 4 ? A 4.927 16.972 -21.894 1.000 1 A 62.540 1
ATOM 71 H H . PHE 4 4 ? A 9.870 16.906 -21.181 1.000 1 A 62.540 1
ATOM 72 H HA . PHE 4 4 ? A 8.676 15.171 -19.232 1.000 1 A 62.540 1
ATOM 73 H HB2 . PHE 4 4 ? A 8.317 13.672 -21.230 1.000 1 A 62.540 1
ATOM 74 H HB3 . PHE 4 4 ? A 9.225 14.817 -22.202 1.000 1 A 62.540 1
ATOM 75 H HD1 . PHE 4 4 ? A 6.193 14.394 -20.054 1.000 1 A 62.540 1
ATOM 76 H HD2 . PHE 4 4 ? A 8.126 16.785 -23.074 1.000 1 A 62.540 1
ATOM 77 H HE1 . PHE 4 4 ? A 4.096 15.679 -20.379 1.000 1 A 62.540 1
ATOM 78 H HE2 . PHE 4 4 ? A 6.017 18.081 -23.383 1.000 1 A 62.540 1
ATOM 79 H HZ . PHE 4 4 ? A 4.011 17.524 -22.036 1.000 1 A 62.540 1
ATOM 80 N N . SER 5 5 ? A 11.629 14.206 -20.324 1.000 1 A 64.870 1
ATOM 81 C CA . SER 5 5 ? A 12.726 13.267 -20.071 1.000 1 A 64.870 1
ATOM 82 C C . SER 5 5 ? A 13.286 13.393 -18.655 1.000 1 A 64.870 1
ATOM 83 O O . SER 5 5 ? A 13.603 12.379 -18.040 1.000 1 A 64.870 1
ATOM 84 C CB . SER 5 5 ? A 13.853 13.465 -21.087 1.000 1 A 64.870 1
ATOM 85 O OG . SER 5 5 ? A 13.337 13.420 -22.404 1.000 1 A 64.870 1
ATOM 86 H H . SER 5 5 ? A 11.757 14.888 -21.057 1.000 1 A 64.870 1
ATOM 87 H HA . SER 5 5 ? A 12.350 12.250 -20.187 1.000 1 A 64.870 1
ATOM 88 H HB2 . SER 5 5 ? A 14.591 12.673 -20.957 1.000 1 A 64.870 1
ATOM 89 H HB3 . SER 5 5 ? A 14.334 14.430 -20.923 1.000 1 A 64.870 1
ATOM 90 H HG . SER 5 5 ? A 14.033 13.135 -22.999 1.000 1 A 64.870 1
ATOM 91 N N . TYR 6 6 ? A 13.365 14.611 -18.101 1.000 1 A 65.040 1
ATOM 92 C CA . TYR 6 6 ? A 13.818 14.804 -16.718 1.000 1 A 65.040 1
ATOM 93 C C . TYR 6 6 ? A 12.813 14.218 -15.722 1.000 1 A 65.040 1
ATOM 94 O O . TYR 6 6 ? A 13.201 13.557 -14.758 1.000 1 A 65.040 1
ATOM 95 C CB . TYR 6 6 ? A 14.070 16.292 -16.441 1.000 1 A 65.040 1
ATOM 96 C CG . TYR 6 6 ? A 15.158 16.521 -15.408 1.000 1 A 65.040 1
ATOM 97 C CD1 . TYR 6 6 ? A 14.858 16.551 -14.031 1.000 1 A 65.040 1
ATOM 98 C CD2 . TYR 6 6 ? A 16.490 16.679 -15.838 1.000 1 A 65.040 1
ATOM 99 C CE1 . TYR 6 6 ? A 15.890 16.749 -13.091 1.000 1 A 65.040 1
ATOM 100 C CE2 . TYR 6 6 ? A 17.522 16.878 -14.902 1.000 1 A 65.040 1
ATOM 101 C CZ . TYR 6 6 ? A 17.222 16.914 -13.524 1.000 1 A 65.040 1
ATOM 102 O OH . TYR 6 6 ? A 18.211 17.104 -12.612 1.000 1 A 65.040 1
ATOM 103 H H . TYR 6 6 ? A 13.084 15.418 -18.640 1.000 1 A 65.040 1
ATOM 104 H HA . TYR 6 6 ? A 14.759 14.269 -16.589 1.000 1 A 65.040 1
ATOM 105 H HB2 . TYR 6 6 ? A 13.147 16.775 -16.122 1.000 1 A 65.040 1
ATOM 106 H HB3 . TYR 6 6 ? A 14.382 16.778 -17.366 1.000 1 A 65.040 1
ATOM 107 H HD1 . TYR 6 6 ? A 13.841 16.419 -13.692 1.000 1 A 65.040 1
ATOM 108 H HD2 . TYR 6 6 ? A 16.724 16.653 -16.892 1.000 1 A 65.040 1
ATOM 109 H HE1 . TYR 6 6 ? A 15.674 16.780 -12.033 1.000 1 A 65.040 1
ATOM 110 H HE2 . TYR 6 6 ? A 18.541 17.006 -15.237 1.000 1 A 65.040 1
ATOM 111 H HH . TYR 6 6 ? A 19.070 17.235 -13.021 1.000 1 A 65.040 1
ATOM 112 N N . PHE 7 7 ? A 11.515 14.394 -15.998 1.000 1 A 62.350 1
ATOM 113 C CA . PHE 7 7 ? A 10.464 13.775 -15.201 1.000 1 A 62.350 1
ATOM 114 C C . PHE 7 7 ? A 10.501 12.253 -15.333 1.000 1 A 62.350 1
ATOM 115 O O . PHE 7 7 ? A 10.406 11.574 -14.326 1.000 1 A 62.350 1
ATOM 116 C CB . PHE 7 7 ? A 9.091 14.351 -15.570 1.000 1 A 62.350 1
ATOM 117 C CG . PHE 7 7 ? A 8.138 14.406 -14.391 1.000 1 A 62.350 1
ATOM 118 C CD1 . PHE 7 7 ? A 7.120 13.446 -14.229 1.000 1 A 62.350 1
ATOM 119 C CD2 . PHE 7 7 ? A 8.268 15.447 -13.452 1.000 1 A 62.350 1
ATOM 120 C CE1 . PHE 7 7 ? A 6.227 13.547 -13.145 1.000 1 A 62.350 1
ATOM 121 C CE2 . PHE 7 7 ? A 7.390 15.534 -12.359 1.000 1 A 62.350 1
ATOM 122 C CZ . PHE 7 7 ? A 6.369 14.582 -12.204 1.000 1 A 62.350 1
ATOM 123 H H . PHE 7 7 ? A 11.254 14.959 -16.793 1.000 1 A 62.350 1
ATOM 124 H HA . PHE 7 7 ? A 10.659 14.011 -14.154 1.000 1 A 62.350 1
ATOM 125 H HB2 . PHE 7 7 ? A 8.652 13.774 -16.384 1.000 1 A 62.350 1
ATOM 126 H HB3 . PHE 7 7 ? A 9.218 15.371 -15.933 1.000 1 A 62.350 1
ATOM 127 H HD1 . PHE 7 7 ? A 7.006 12.654 -14.953 1.000 1 A 62.350 1
ATOM 128 H HD2 . PHE 7 7 ? A 9.046 16.187 -13.570 1.000 1 A 62.350 1
ATOM 129 H HE1 . PHE 7 7 ? A 5.416 12.842 -13.040 1.000 1 A 62.350 1
ATOM 130 H HE2 . PHE 7 7 ? A 7.495 16.334 -11.641 1.000 1 A 62.350 1
ATOM 131 H HZ . PHE 7 7 ? A 5.686 14.656 -11.371 1.000 1 A 62.350 1
ATOM 132 N N . ALA 8 8 ? A 10.720 11.692 -16.523 1.000 1 A 66.380 1
ATOM 133 C CA . ALA 8 8 ? A 10.850 10.247 -16.685 1.000 1 A 66.380 1
ATOM 134 C C . ALA 8 8 ? A 12.053 9.703 -15.892 1.000 1 A 66.380 1
ATOM 135 O O . ALA 8 8 ? A 11.876 8.862 -15.020 1.000 1 A 66.380 1
ATOM 136 C CB . ALA 8 8 ? A 10.911 9.916 -18.180 1.000 1 A 66.380 1
ATOM 137 H H . ALA 8 8 ? A 10.767 12.277 -17.345 1.000 1 A 66.380 1
ATOM 138 H HA . ALA 8 8 ? A 9.958 9.775 -16.275 1.000 1 A 66.380 1
ATOM 139 H HB1 . ALA 8 8 ? A 10.051 10.351 -18.690 1.000 1 A 66.380 1
ATOM 140 H HB2 . ALA 8 8 ? A 10.892 8.835 -18.318 1.000 1 A 66.380 1
ATOM 141 H HB3 . ALA 8 8 ? A 11.826 10.314 -18.617 1.000 1 A 66.380 1
ATOM 142 N N . THR 9 9 ? A 13.262 10.227 -16.089 1.000 1 A 65.660 1
ATOM 143 C CA . THR 9 9 ? A 14.460 9.719 -15.395 1.000 1 A 65.660 1
ATOM 144 C C . THR 9 9 ? A 14.384 9.902 -13.875 1.000 1 A 65.660 1
ATOM 145 O O . THR 9 9 ? A 14.734 8.990 -13.126 1.000 1 A 65.660 1
ATOM 146 C CB . THR 9 9 ? A 15.716 10.399 -15.950 1.000 1 A 65.660 1
ATOM 147 O OG1 . THR 9 9 ? A 15.763 10.206 -17.343 1.000 1 A 65.660 1
ATOM 148 C CG2 . THR 9 9 ? A 17.012 9.818 -15.389 1.000 1 A 65.660 1
ATOM 149 H H . THR 9 9 ? A 13.392 10.908 -16.823 1.000 1 A 65.660 1
ATOM 150 H HA . THR 9 9 ? A 14.545 8.650 -15.588 1.000 1 A 65.660 1
ATOM 151 H HB . THR 9 9 ? A 15.676 11.468 -15.741 1.000 1 A 65.660 1
ATOM 152 H HG1 . THR 9 9 ? A 16.508 10.705 -17.685 1.000 1 A 65.660 1
ATOM 153 H HG21 . THR 9 9 ? A 17.042 8.742 -15.564 1.000 1 A 65.660 1
ATOM 154 H HG22 . THR 9 9 ? A 17.867 10.286 -15.876 1.000 1 A 65.660 1
ATOM 155 H HG23 . THR 9 9 ? A 17.078 10.009 -14.318 1.000 1 A 65.660 1
ATOM 156 N N . GLY 10 10 ? A 13.891 11.054 -13.408 1.000 1 A 64.210 1
ATOM 157 C CA . GLY 10 10 ? A 13.715 11.331 -11.984 1.000 1 A 64.210 1
ATOM 158 C C . GLY 10 10 ? A 12.588 10.512 -11.358 1.000 1 A 64.210 1
ATOM 159 O O . GLY 10 10 ? A 12.781 9.953 -10.286 1.000 1 A 64.210 1
ATOM 160 H H . GLY 10 10 ? A 13.622 11.774 -14.064 1.000 1 A 64.210 1
ATOM 161 H HA2 . GLY 10 10 ? A 14.642 11.116 -11.451 1.000 1 A 64.210 1
ATOM 162 H HA3 . GLY 10 10 ? A 13.478 12.387 -11.860 1.000 1 A 64.210 1
ATOM 163 N N . ASN 11 11 ? A 11.439 10.394 -12.032 1.000 1 A 64.190 1
ATOM 164 C CA . ASN 11 11 ? A 10.197 9.826 -11.497 1.000 1 A 64.190 1
ATOM 165 C C . ASN 11 11 ? A 10.037 8.317 -11.762 1.000 1 A 64.190 1
ATOM 166 O O . ASN 11 11 ? A 9.300 7.668 -11.028 1.000 1 A 64.190 1
ATOM 167 C CB . ASN 11 11 ? A 9.009 10.632 -12.060 1.000 1 A 64.190 1
ATOM 168 C CG . ASN 11 11 ? A 7.742 10.553 -11.245 1.000 1 A 64.190 1
ATOM 169 O OD1 . ASN 11 11 ? A 7.742 10.400 -10.040 1.000 1 A 64.190 1
ATOM 170 N ND2 . ASN 11 11 ? A 6.603 10.699 -11.880 1.000 1 A 64.190 1
ATOM 171 H H . ASN 11 11 ? A 11.374 10.843 -12.934 1.000 1 A 64.190 1
ATOM 172 H HA . ASN 11 11 ? A 10.205 9.960 -10.415 1.000 1 A 64.190 1
ATOM 173 H HB2 . ASN 11 11 ? A 8.787 10.276 -13.066 1.000 1 A 64.190 1
ATOM 174 H HB3 . ASN 11 11 ? A 9.268 11.690 -12.099 1.000 1 A 64.190 1
ATOM 175 H HD21 . ASN 11 11 ? A 6.601 10.896 -12.871 1.000 1 A 64.190 1
ATOM 176 H HD22 . ASN 11 11 ? A 5.775 10.691 -11.303 1.000 1 A 64.190 1
ATOM 177 N N . ILE 12 12 ? A 10.743 7.708 -12.729 1.000 1 A 64.710 1
ATOM 178 C CA . ILE 12 12 ? A 10.727 6.242 -12.940 1.000 1 A 64.710 1
ATOM 179 C C . ILE 12 12 ? A 11.250 5.515 -11.700 1.000 1 A 64.710 1
ATOM 180 O O . ILE 12 12 ? A 10.747 4.446 -11.379 1.000 1 A 64.710 1
ATOM 181 C CB . ILE 12 12 ? A 11.523 5.820 -14.204 1.000 1 A 64.710 1
ATOM 182 C CG1 . ILE 12 12 ? A 10.750 6.176 -15.495 1.000 1 A 64.710 1
ATOM 183 C CG2 . ILE 12 12 ? A 11.813 4.303 -14.246 1.000 1 A 64.710 1
ATOM 184 C CD1 . ILE 12 12 ? A 11.660 6.241 -16.734 1.000 1 A 64.710 1
ATOM 185 H H . ILE 12 12 ? A 11.290 8.274 -13.362 1.000 1 A 64.710 1
ATOM 186 H HA . ILE 12 12 ? A 9.693 5.922 -13.074 1.000 1 A 64.710 1
ATOM 187 H HB . ILE 12 12 ? A 12.477 6.347 -14.196 1.000 1 A 64.710 1
ATOM 188 H HG12 . ILE 12 12 ? A 9.968 5.437 -15.670 1.000 1 A 64.710 1
ATOM 189 H HG13 . ILE 12 12 ? A 10.241 7.132 -15.382 1.000 1 A 64.710 1
ATOM 190 H HG21 . ILE 12 12 ? A 12.318 4.032 -15.173 1.000 1 A 64.710 1
ATOM 191 H HG22 . ILE 12 12 ? A 10.885 3.737 -14.170 1.000 1 A 64.710 1
ATOM 192 H HG23 . ILE 12 12 ? A 12.477 4.014 -13.432 1.000 1 A 64.710 1
ATOM 193 H HD11 . ILE 12 12 ? A 11.089 6.635 -17.575 1.000 1 A 64.710 1
ATOM 194 H HD12 . ILE 12 12 ? A 12.011 5.245 -17.004 1.000 1 A 64.710 1
ATOM 195 H HD13 . ILE 12 12 ? A 12.521 6.884 -16.552 1.000 1 A 64.710 1
ATOM 196 N N . LYS 13 13 ? A 12.205 6.092 -10.957 1.000 1 A 67.170 1
ATOM 197 C CA . LYS 13 13 ? A 12.704 5.485 -9.711 1.000 1 A 67.170 1
ATOM 198 C C . LYS 13 13 ? A 11.642 5.483 -8.601 1.000 1 A 67.170 1
ATOM 199 O O . LYS 13 13 ? A 11.593 4.553 -7.801 1.000 1 A 67.170 1
ATOM 200 C CB . LYS 13 13 ? A 14.006 6.187 -9.286 1.000 1 A 67.170 1
ATOM 201 C CG . LYS 13 13 ? A 14.958 5.219 -8.567 1.000 1 A 67.170 1
ATOM 202 C CD . LYS 13 13 ? A 16.281 5.911 -8.208 1.000 1 A 67.170 1
ATOM 203 C CE . LYS 13 13 ? A 17.270 4.896 -7.618 1.000 1 A 67.170 1
ATOM 204 N NZ . LYS 13 13 ? A 18.542 5.543 -7.202 1.000 1 A 67.170 1
ATOM 205 H H . LYS 13 13 ? A 12.593 6.969 -11.275 1.000 1 A 67.170 1
ATOM 206 H HA . LYS 13 13 ? A 12.919 4.437 -9.919 1.000 1 A 67.170 1
ATOM 207 H HB2 . LYS 13 13 ? A 14.517 6.558 -10.174 1.000 1 A 67.170 1
ATOM 208 H HB3 . LYS 13 13 ? A 13.777 7.038 -8.645 1.000 1 A 67.170 1
ATOM 209 H HG2 . LYS 13 13 ? A 14.485 4.850 -7.657 1.000 1 A 67.170 1
ATOM 210 H HG3 . LYS 13 13 ? A 15.167 4.374 -9.223 1.000 1 A 67.170 1
ATOM 211 H HD2 . LYS 13 13 ? A 16.080 6.701 -7.485 1.000 1 A 67.170 1
ATOM 212 H HD3 . LYS 13 13 ? A 16.710 6.352 -9.108 1.000 1 A 67.170 1
ATOM 213 H HE2 . LYS 13 13 ? A 17.465 4.127 -8.364 1.000 1 A 67.170 1
ATOM 214 H HE3 . LYS 13 13 ? A 16.799 4.415 -6.761 1.000 1 A 67.170 1
ATOM 215 H HZ1 . LYS 13 13 ? A 18.370 6.243 -6.495 1.000 1 A 67.170 1
ATOM 216 H HZ2 . LYS 13 13 ? A 19.178 4.858 -6.820 1.000 1 A 67.170 1
ATOM 217 H HZ3 . LYS 13 13 ? A 18.990 5.986 -7.991 1.000 1 A 67.170 1
ATOM 218 N N . TRP 14 14 ? A 10.763 6.487 -8.588 1.000 1 A 64.480 1
ATOM 219 C CA . TRP 14 14 ? A 9.670 6.618 -7.617 1.000 1 A 64.480 1
ATOM 220 C C . TRP 14 14 ? A 8.383 5.952 -8.086 1.000 1 A 64.480 1
ATOM 221 O O . TRP 14 14 ? A 7.547 5.632 -7.253 1.000 1 A 64.480 1
ATOM 222 C CB . TRP 14 14 ? A 9.403 8.091 -7.301 1.000 1 A 64.480 1
ATOM 223 C CG . TRP 14 14 ? A 10.580 8.827 -6.754 1.000 1 A 64.480 1
ATOM 224 C CD1 . TRP 14 14 ? A 11.575 9.325 -7.506 1.000 1 A 64.480 1
ATOM 225 C CD2 . TRP 14 14 ? A 10.917 9.172 -5.380 1.000 1 A 64.480 1
ATOM 226 N NE1 . TRP 14 14 ? A 12.513 9.950 -6.716 1.000 1 A 64.480 1
ATOM 227 C CE2 . TRP 14 14 ? A 12.155 9.887 -5.388 1.000 1 A 64.480 1
ATOM 228 C CE3 . TRP 14 14 ? A 10.296 8.968 -4.131 1.000 1 A 64.480 1
ATOM 229 C CZ2 . TRP 14 14 ? A 12.746 10.377 -4.216 1.000 1 A 64.480 1
ATOM 230 C CZ3 . TRP 14 14 ? A 10.881 9.457 -2.947 1.000 1 A 64.480 1
ATOM 231 C CH2 . TRP 14 14 ? A 12.100 10.158 -2.988 1.000 1 A 64.480 1
ATOM 232 H H . TRP 14 14 ? A 10.832 7.189 -9.311 1.000 1 A 64.480 1
ATOM 233 H HA . TRP 14 14 ? A 9.963 6.131 -6.686 1.000 1 A 64.480 1
ATOM 234 H HB2 . TRP 14 14 ? A 9.065 8.596 -8.206 1.000 1 A 64.480 1
ATOM 235 H HB3 . TRP 14 14 ? A 8.595 8.154 -6.571 1.000 1 A 64.480 1
ATOM 236 H HD1 . TRP 14 14 ? A 11.590 9.242 -8.583 1.000 1 A 64.480 1
ATOM 237 H HE1 . TRP 14 14 ? A 13.307 10.449 -7.091 1.000 1 A 64.480 1
ATOM 238 H HE3 . TRP 14 14 ? A 9.354 8.440 -4.088 1.000 1 A 64.480 1
ATOM 239 H HZ2 . TRP 14 14 ? A 13.675 10.927 -4.256 1.000 1 A 64.480 1
ATOM 240 H HZ3 . TRP 14 14 ? A 10.387 9.302 -1.999 1.000 1 A 64.480 1
ATOM 241 H HH2 . TRP 14 14 ? A 12.533 10.536 -2.073 1.000 1 A 64.480 1
ATOM 242 N N . TRP 15 15 ? A 8.210 5.699 -9.383 1.000 1 A 71.250 1
ATOM 243 C CA . TRP 15 15 ? A 7.015 5.062 -9.929 1.000 1 A 71.250 1
ATOM 244 C C . TRP 15 15 ? A 6.727 3.675 -9.330 1.000 1 A 71.250 1
ATOM 245 O O . TRP 15 15 ? A 5.613 3.491 -8.831 1.000 1 A 71.250 1
ATOM 246 C CB . TRP 15 15 ? A 7.086 5.024 -11.459 1.000 1 A 71.250 1
ATOM 247 C CG . TRP 15 15 ? A 5.858 4.502 -12.142 1.000 1 A 71.250 1
ATOM 248 C CD1 . TRP 15 15 ? A 4.586 4.629 -11.696 1.000 1 A 71.250 1
ATOM 249 C CD2 . TRP 15 15 ? A 5.761 3.793 -13.416 1.000 1 A 71.250 1
ATOM 250 N NE1 . TRP 15 15 ? A 3.714 4.061 -12.601 1.000 1 A 71.250 1
ATOM 251 C CE2 . TRP 15 15 ? A 4.383 3.530 -13.680 1.000 1 A 71.250 1
ATOM 252 C CE3 . TRP 15 15 ? A 6.694 3.356 -14.380 1.000 1 A 71.250 1
ATOM 253 C CZ2 . TRP 15 15 ? A 3.948 2.870 -14.837 1.000 1 A 71.250 1
ATOM 254 C CZ3 . TRP 15 15 ? A 6.269 2.694 -15.549 1.000 1 A 71.250 1
ATOM 255 C CH2 . TRP 15 15 ? A 4.902 2.451 -15.778 1.000 1 A 71.250 1
ATOM 256 H H . TRP 15 15 ? A 8.881 6.079 -10.035 1.000 1 A 71.250 1
ATOM 257 H HA . TRP 15 15 ? A 6.173 5.699 -9.657 1.000 1 A 71.250 1
ATOM 258 H HB2 . TRP 15 15 ? A 7.255 6.038 -11.822 1.000 1 A 71.250 1
ATOM 259 H HB3 . TRP 15 15 ? A 7.939 4.422 -11.770 1.000 1 A 71.250 1
ATOM 260 H HD1 . TRP 15 15 ? A 4.300 5.113 -10.774 1.000 1 A 71.250 1
ATOM 261 H HE1 . TRP 15 15 ? A 2.711 4.047 -12.487 1.000 1 A 71.250 1
ATOM 262 H HE3 . TRP 15 15 ? A 7.746 3.536 -14.217 1.000 1 A 71.250 1
ATOM 263 H HZ2 . TRP 15 15 ? A 2.897 2.690 -15.007 1.000 1 A 71.250 1
ATOM 264 H HZ3 . TRP 15 15 ? A 6.997 2.369 -16.277 1.000 1 A 71.250 1
ATOM 265 H HH2 . TRP 15 15 ? A 4.589 1.944 -16.679 1.000 1 A 71.250 1
ATOM 266 N N . PRO 16 16 ? A 7.678 2.718 -9.274 1.000 1 A 71.100 1
ATOM 267 C CA . PRO 16 16 ? A 7.422 1.428 -8.648 1.000 1 A 71.100 1
ATOM 268 C C . PRO 16 16 ? A 7.220 1.578 -7.140 1.000 1 A 71.100 1
ATOM 269 O O . PRO 16 16 ? A 6.351 0.912 -6.591 1.000 1 A 71.100 1
ATOM 270 C CB . PRO 16 16 ? A 8.627 0.548 -8.987 1.000 1 A 71.100 1
ATOM 271 C CG . PRO 16 16 ? A 9.762 1.549 -9.170 1.000 1 A 71.100 1
ATOM 272 C CD . PRO 16 16 ? A 9.048 2.759 -9.761 1.000 1 A 71.100 1
ATOM 273 H HA . PRO 16 16 ? A 6.523 0.979 -9.071 1.000 1 A 71.100 1
ATOM 274 H HB2 . PRO 16 16 ? A 8.444 0.035 -9.931 1.000 1 A 71.100 1
ATOM 275 H HB3 . PRO 16 16 ? A 8.846 -0.175 -8.202 1.000 1 A 71.100 1
ATOM 276 H HG2 . PRO 16 16 ? A 10.535 1.171 -9.839 1.000 1 A 71.100 1
ATOM 277 H HG3 . PRO 16 16 ? A 10.189 1.809 -8.201 1.000 1 A 71.100 1
ATOM 278 H HD2 . PRO 16 16 ? A 9.569 3.656 -9.428 1.000 1 A 71.100 1
ATOM 279 H HD3 . PRO 16 16 ? A 9.047 2.680 -10.848 1.000 1 A 71.100 1
ATOM 280 N N . VAL 17 17 ? A 7.941 2.495 -6.479 1.000 1 A 78.990 1
ATOM 281 C CA . VAL 17 17 ? A 7.740 2.793 -5.051 1.000 1 A 78.990 1
ATOM 282 C C . VAL 17 17 ? A 6.332 3.330 -4.813 1.000 1 A 78.990 1
ATOM 283 O O . VAL 17 17 ? A 5.664 2.891 -3.891 1.000 1 A 78.990 1
ATOM 284 C CB . VAL 17 17 ? A 8.794 3.785 -4.516 1.000 1 A 78.990 1
ATOM 285 C CG1 . VAL 17 17 ? A 8.586 4.087 -3.026 1.000 1 A 78.990 1
ATOM 286 C CG2 . VAL 17 17 ? A 10.212 3.226 -4.688 1.000 1 A 78.990 1
ATOM 287 H H . VAL 17 17 ? A 8.628 3.030 -6.991 1.000 1 A 78.990 1
ATOM 288 H HA . VAL 17 17 ? A 7.832 1.866 -4.485 1.000 1 A 78.990 1
ATOM 289 H HB . VAL 17 17 ? A 8.724 4.722 -5.068 1.000 1 A 78.990 1
ATOM 290 H HG11 . VAL 17 17 ? A 9.380 4.741 -2.666 1.000 1 A 78.990 1
ATOM 291 H HG12 . VAL 17 17 ? A 7.635 4.595 -2.865 1.000 1 A 78.990 1
ATOM 292 H HG13 . VAL 17 17 ? A 8.599 3.162 -2.450 1.000 1 A 78.990 1
ATOM 293 H HG21 . VAL 17 17 ? A 10.307 2.277 -4.161 1.000 1 A 78.990 1
ATOM 294 H HG22 . VAL 17 17 ? A 10.938 3.932 -4.285 1.000 1 A 78.990 1
ATOM 295 H HG23 . VAL 17 17 ? A 10.439 3.078 -5.744 1.000 1 A 78.990 1
ATOM 296 N N . HIS 18 18 ? A 5.835 4.220 -5.669 1.000 1 A 79.750 1
ATOM 297 C CA . HIS 18 18 ? A 4.502 4.803 -5.581 1.000 1 A 79.750 1
ATOM 298 C C . HIS 18 18 ? A 3.406 3.767 -5.860 1.000 1 A 79.750 1
ATOM 299 O O . HIS 18 18 ? A 2.394 3.750 -5.163 1.000 1 A 79.750 1
ATOM 300 C CB . HIS 18 18 ? A 4.432 5.990 -6.548 1.000 1 A 79.750 1
ATOM 301 C CG . HIS 18 18 ? A 3.111 6.708 -6.526 1.000 1 A 79.750 1
ATOM 302 N ND1 . HIS 18 18 ? A 2.131 6.598 -7.481 1.000 1 A 79.750 1
ATOM 303 C CD2 . HIS 18 18 ? A 2.688 7.635 -5.611 1.000 1 A 79.750 1
ATOM 304 C CE1 . HIS 18 18 ? A 1.162 7.469 -7.173 1.000 1 A 79.750 1
ATOM 305 N NE2 . HIS 18 18 ? A 1.430 8.095 -6.021 1.000 1 A 79.750 1
ATOM 306 H H . HIS 18 18 ? A 6.443 4.555 -6.403 1.000 1 A 79.750 1
ATOM 307 H HA . HIS 18 18 ? A 4.349 5.175 -4.568 1.000 1 A 79.750 1
ATOM 308 H HB2 . HIS 18 18 ? A 5.212 6.705 -6.285 1.000 1 A 79.750 1
ATOM 309 H HB3 . HIS 18 18 ? A 4.627 5.643 -7.562 1.000 1 A 79.750 1
ATOM 310 H HD1 . HIS 18 18 ? A 2.203 6.054 -8.329 1.000 1 A 79.750 1
ATOM 311 H HD2 . HIS 18 18 ? A 3.238 7.971 -4.744 1.000 1 A 79.750 1
ATOM 312 H HE1 . HIS 18 18 ? A 0.306 7.682 -7.797 1.000 1 A 79.750 1
ATOM 313 N N . LEU 19 19 ? A 3.606 2.866 -6.827 1.000 1 A 79.150 1
ATOM 314 C CA . LEU 19 19 ? A 2.690 1.747 -7.072 1.000 1 A 79.150 1
ATOM 315 C C . LEU 19 19 ? A 2.694 0.746 -5.908 1.000 1 A 79.150 1
ATOM 316 O O . LEU 19 19 ? A 1.626 0.304 -5.484 1.000 1 A 79.150 1
ATOM 317 C CB . LEU 19 19 ? A 3.054 1.048 -8.393 1.000 1 A 79.150 1
ATOM 318 C CG . LEU 19 19 ? A 2.774 1.858 -9.673 1.000 1 A 79.150 1
ATOM 319 C CD1 . LEU 19 19 ? A 3.243 1.045 -10.879 1.000 1 A 79.150 1
ATOM 320 C CD2 . LEU 19 19 ? A 1.287 2.178 -9.853 1.000 1 A 79.150 1
ATOM 321 H H . LEU 19 19 ? A 4.452 2.931 -7.377 1.000 1 A 79.150 1
ATOM 322 H HA . LEU 19 19 ? A 1.671 2.129 -7.137 1.000 1 A 79.150 1
ATOM 323 H HB2 . LEU 19 19 ? A 2.487 0.118 -8.452 1.000 1 A 79.150 1
ATOM 324 H HB3 . LEU 19 19 ? A 4.111 0.785 -8.367 1.000 1 A 79.150 1
ATOM 325 H HG . LEU 19 19 ? A 3.320 2.801 -9.649 1.000 1 A 79.150 1
ATOM 326 H HD11 . LEU 19 19 ? A 3.019 1.572 -11.806 1.000 1 A 79.150 1
ATOM 327 H HD12 . LEU 19 19 ? A 4.322 0.898 -10.822 1.000 1 A 79.150 1
ATOM 328 H HD13 . LEU 19 19 ? A 2.748 0.075 -10.898 1.000 1 A 79.150 1
ATOM 329 H HD21 . LEU 19 19 ? A 1.130 2.663 -10.817 1.000 1 A 79.150 1
ATOM 330 H HD22 . LEU 19 19 ? A 0.948 2.851 -9.066 1.000 1 A 79.150 1
ATOM 331 H HD23 . LEU 19 19 ? A 0.705 1.256 -9.822 1.000 1 A 79.150 1
ATOM 332 N N . PHE 20 20 ? A 3.866 0.433 -5.351 1.000 1 A 81.570 1
ATOM 333 C CA . PHE 20 20 ? A 4.005 -0.439 -4.186 1.000 1 A 81.570 1
ATOM 334 C C . PHE 20 20 ? A 3.360 0.184 -2.942 1.000 1 A 81.570 1
ATOM 335 O O . PHE 20 20 ? A 2.564 -0.478 -2.278 1.000 1 A 81.570 1
ATOM 336 C CB . PHE 20 20 ? A 5.488 -0.766 -3.967 1.000 1 A 81.570 1
ATOM 337 C CG . PHE 20 20 ? A 5.719 -1.847 -2.932 1.000 1 A 81.570 1
ATOM 338 C CD1 . PHE 20 20 ? A 6.024 -1.508 -1.600 1.000 1 A 81.570 1
ATOM 339 C CD2 . PHE 20 20 ? A 5.615 -3.202 -3.303 1.000 1 A 81.570 1
ATOM 340 C CE1 . PHE 20 20 ? A 6.225 -2.521 -0.645 1.000 1 A 81.570 1
ATOM 341 C CE2 . PHE 20 20 ? A 5.815 -4.214 -2.347 1.000 1 A 81.570 1
ATOM 342 C CZ . PHE 20 20 ? A 6.121 -3.873 -1.018 1.000 1 A 81.570 1
ATOM 343 H H . PHE 20 20 ? A 4.712 0.798 -5.765 1.000 1 A 81.570 1
ATOM 344 H HA . PHE 20 20 ? A 3.479 -1.373 -4.388 1.000 1 A 81.570 1
ATOM 345 H HB2 . PHE 20 20 ? A 5.916 -1.107 -4.909 1.000 1 A 81.570 1
ATOM 346 H HB3 . PHE 20 20 ? A 6.022 0.138 -3.673 1.000 1 A 81.570 1
ATOM 347 H HD1 . PHE 20 20 ? A 6.099 -0.473 -1.304 1.000 1 A 81.570 1
ATOM 348 H HD2 . PHE 20 20 ? A 5.388 -3.467 -4.325 1.000 1 A 81.570 1
ATOM 349 H HE1 . PHE 20 20 ? A 6.458 -2.260 0.376 1.000 1 A 81.570 1
ATOM 350 H HE2 . PHE 20 20 ? A 5.743 -5.253 -2.631 1.000 1 A 81.570 1
ATOM 351 H HZ . PHE 20 20 ? A 6.279 -4.648 -0.282 1.000 1 A 81.570 1
ATOM 352 N N . ASN 21 21 ? A 3.599 1.477 -2.685 1.000 1 A 82.870 1
ATOM 353 C CA . ASN 21 21 ? A 2.978 2.205 -1.577 1.000 1 A 82.870 1
ATOM 354 C C . ASN 21 21 ? A 1.460 2.339 -1.752 1.000 1 A 82.870 1
ATOM 355 O O . ASN 21 21 ? A 0.710 2.232 -0.787 1.000 1 A 82.870 1
ATOM 356 C CB . ASN 21 21 ? A 3.628 3.590 -1.353 1.000 1 A 82.870 1
ATOM 357 C CG . ASN 21 21 ? A 4.335 3.722 -0.012 1.000 1 A 82.870 1
ATOM 358 O OD1 . ASN 21 21 ? A 4.495 2.792 0.754 1.000 1 A 82.870 1
ATOM 359 N ND2 . ASN 21 21 ? A 4.795 4.905 0.321 1.000 1 A 82.870 1
ATOM 360 H H . ASN 21 21 ? A 4.292 1.956 -3.241 1.000 1 A 82.870 1
ATOM 361 H HA . ASN 21 21 ? A 3.147 1.601 -0.685 1.000 1 A 82.870 1
ATOM 362 H HB2 . ASN 21 21 ? A 2.858 4.361 -1.389 1.000 1 A 82.870 1
ATOM 363 H HB3 . ASN 21 21 ? A 4.349 3.824 -2.136 1.000 1 A 82.870 1
ATOM 364 H HD21 . ASN 21 21 ? A 4.683 5.705 -0.285 1.000 1 A 82.870 1
ATOM 365 H HD22 . ASN 21 21 ? A 5.237 4.958 1.227 1.000 1 A 82.870 1
ATOM 366 N N . LYS 22 22 ? A 0.965 2.527 -2.980 1.000 1 A 85.090 1
ATOM 367 C CA . LYS 22 22 ? A -0.483 2.516 -3.224 1.000 1 A 85.090 1
ATOM 368 C C . LYS 22 22 ? A -1.088 1.143 -2.971 1.000 1 A 85.090 1
ATOM 369 O O . LYS 22 22 ? A -2.161 1.077 -2.377 1.000 1 A 85.090 1
ATOM 370 C CB . LYS 22 22 ? A -0.818 3.005 -4.637 1.000 1 A 85.090 1
ATOM 371 C CG . LYS 22 22 ? A -0.885 4.536 -4.676 1.000 1 A 85.090 1
ATOM 372 C CD . LYS 22 22 ? A -1.486 5.018 -6.000 1.000 1 A 85.090 1
ATOM 373 C CE . LYS 22 22 ? A -1.745 6.524 -5.901 1.000 1 A 85.090 1
ATOM 374 N NZ . LYS 22 22 ? A -2.506 7.033 -7.069 1.000 1 A 85.090 1
ATOM 375 H H . LYS 22 22 ? A 1.602 2.683 -3.748 1.000 1 A 85.090 1
ATOM 376 H HA . LYS 22 22 ? A -0.962 3.173 -2.499 1.000 1 A 85.090 1
ATOM 377 H HB2 . LYS 22 22 ? A -0.091 2.633 -5.359 1.000 1 A 85.090 1
ATOM 378 H HB3 . LYS 22 22 ? A -1.799 2.616 -4.910 1.000 1 A 85.090 1
ATOM 379 H HG2 . LYS 22 22 ? A 0.110 4.961 -4.543 1.000 1 A 85.090 1
ATOM 380 H HG3 . LYS 22 22 ? A -1.524 4.880 -3.862 1.000 1 A 85.090 1
ATOM 381 H HD2 . LYS 22 22 ? A -0.794 4.802 -6.814 1.000 1 A 85.090 1
ATOM 382 H HD3 . LYS 22 22 ? A -2.429 4.500 -6.174 1.000 1 A 85.090 1
ATOM 383 H HE2 . LYS 22 22 ? A -0.792 7.041 -5.793 1.000 1 A 85.090 1
ATOM 384 H HE3 . LYS 22 22 ? A -2.310 6.713 -4.989 1.000 1 A 85.090 1
ATOM 385 H HZ1 . LYS 22 22 ? A -2.630 8.032 -6.988 1.000 1 A 85.090 1
ATOM 386 H HZ2 . LYS 22 22 ? A -3.423 6.610 -7.098 1.000 1 A 85.090 1
ATOM 387 H HZ3 . LYS 22 22 ? A -2.028 6.830 -7.936 1.000 1 A 85.090 1
ATOM 388 N N . LYS 23 23 ? A -0.416 0.064 -3.385 1.000 1 A 87.490 1
ATOM 389 C CA . LYS 23 23 ? A -0.896 -1.310 -3.185 1.000 1 A 87.490 1
ATOM 390 C C . LYS 23 23 ? A -0.881 -1.725 -1.712 1.000 1 A 87.490 1
ATOM 391 O O . LYS 23 23 ? A -1.860 -2.297 -1.244 1.000 1 A 87.490 1
ATOM 392 C CB . LYS 23 23 ? A -0.104 -2.270 -4.082 1.000 1 A 87.490 1
ATOM 393 C CG . LYS 23 23 ? A -0.734 -3.672 -4.063 1.000 1 A 87.490 1
ATOM 394 C CD . LYS 23 23 ? A -0.265 -4.516 -5.253 1.000 1 A 87.490 1
ATOM 395 C CE . LYS 23 23 ? A -0.990 -5.867 -5.226 1.000 1 A 87.490 1
ATOM 396 N NZ . LYS 23 23 ? A -0.672 -6.693 -6.418 1.000 1 A 87.490 1
ATOM 397 H H . LYS 23 23 ? A 0.447 0.207 -3.889 1.000 1 A 87.490 1
ATOM 398 H HA . LYS 23 23 ? A -1.941 -1.355 -3.493 1.000 1 A 87.490 1
ATOM 399 H HB2 . LYS 23 23 ? A 0.935 -2.325 -3.756 1.000 1 A 87.490 1
ATOM 400 H HB3 . LYS 23 23 ? A -0.130 -1.883 -5.100 1.000 1 A 87.490 1
ATOM 401 H HG2 . LYS 23 23 ? A -0.476 -4.175 -3.131 1.000 1 A 87.490 1
ATOM 402 H HG3 . LYS 23 23 ? A -1.818 -3.577 -4.118 1.000 1 A 87.490 1
ATOM 403 H HD2 . LYS 23 23 ? A 0.813 -4.665 -5.188 1.000 1 A 87.490 1
ATOM 404 H HD3 . LYS 23 23 ? A -0.503 -3.991 -6.178 1.000 1 A 87.490 1
ATOM 405 H HE2 . LYS 23 23 ? A -0.709 -6.392 -4.313 1.000 1 A 87.490 1
ATOM 406 H HE3 . LYS 23 23 ? A -2.063 -5.680 -5.178 1.000 1 A 87.490 1
ATOM 407 H HZ1 . LYS 23 23 ? A -1.168 -7.571 -6.374 1.000 1 A 87.490 1
ATOM 408 H HZ2 . LYS 23 23 ? A -0.952 -6.218 -7.264 1.000 1 A 87.490 1
ATOM 409 H HZ3 . LYS 23 23 ? A 0.318 -6.890 -6.463 1.000 1 A 87.490 1
ATOM 410 N N . ILE 24 24 ? A 0.180 -1.402 -0.968 1.000 1 A 88.000 1
ATOM 411 C CA . ILE 24 24 ? A 0.231 -1.673 0.478 1.000 1 A 88.000 1
ATOM 412 C C . ILE 24 24 ? A -0.834 -0.852 1.217 1.000 1 A 88.000 1
ATOM 413 O O . ILE 24 24 ? A -1.542 -1.403 2.054 1.000 1 A 88.000 1
ATOM 414 C CB . ILE 24 24 ? A 1.661 -1.474 1.046 1.000 1 A 88.000 1
ATOM 415 C CG1 . ILE 24 24 ? A 1.875 -2.148 2.413 1.000 1 A 88.000 1
ATOM 416 C CG2 . ILE 24 24 ? A 2.036 -0.005 1.211 1.000 1 A 88.000 1
ATOM 417 C CD1 . ILE 24 24 ? A 2.111 -3.653 2.284 1.000 1 A 88.000 1
ATOM 418 H H . ILE 24 24 ? A 0.976 -0.966 -1.410 1.000 1 A 88.000 1
ATOM 419 H HA . ILE 24 24 ? A -0.033 -2.720 0.620 1.000 1 A 88.000 1
ATOM 420 H HB . ILE 24 24 ? A 2.368 -1.909 0.340 1.000 1 A 88.000 1
ATOM 421 H HG12 . ILE 24 24 ? A 1.020 -1.965 3.063 1.000 1 A 88.000 1
ATOM 422 H HG13 . ILE 24 24 ? A 2.758 -1.727 2.894 1.000 1 A 88.000 1
ATOM 423 H HG21 . ILE 24 24 ? A 1.794 0.490 0.271 1.000 1 A 88.000 1
ATOM 424 H HG22 . ILE 24 24 ? A 1.488 0.462 2.030 1.000 1 A 88.000 1
ATOM 425 H HG23 . ILE 24 24 ? A 3.106 0.096 1.395 1.000 1 A 88.000 1
ATOM 426 H HD11 . ILE 24 24 ? A 2.290 -4.075 3.273 1.000 1 A 88.000 1
ATOM 427 H HD12 . ILE 24 24 ? A 1.237 -4.137 1.850 1.000 1 A 88.000 1
ATOM 428 H HD13 . ILE 24 24 ? A 2.982 -3.842 1.657 1.000 1 A 88.000 1
ATOM 429 N N . LEU 25 25 ? A -1.022 0.423 0.853 1.000 1 A 88.770 1
ATOM 430 C CA . LEU 25 25 ? A -2.024 1.293 1.467 1.000 1 A 88.770 1
ATOM 431 C C . LEU 25 25 ? A -3.451 0.805 1.196 1.000 1 A 88.770 1
ATOM 432 O O . LEU 25 25 ? A -4.269 0.765 2.109 1.000 1 A 88.770 1
ATOM 433 C CB . LEU 25 25 ? A -1.811 2.728 0.954 1.000 1 A 88.770 1
ATOM 434 C CG . LEU 25 25 ? A -2.784 3.767 1.539 1.000 1 A 88.770 1
ATOM 435 C CD1 . LEU 25 25 ? A -2.616 3.919 3.051 1.000 1 A 88.770 1
ATOM 436 C CD2 . LEU 25 25 ? A -2.525 5.122 0.880 1.000 1 A 88.770 1
ATOM 437 H H . LEU 25 25 ? A -0.380 0.840 0.194 1.000 1 A 88.770 1
ATOM 438 H HA . LEU 25 25 ? A -1.874 1.276 2.547 1.000 1 A 88.770 1
ATOM 439 H HB2 . LEU 25 25 ? A -0.794 3.036 1.196 1.000 1 A 88.770 1
ATOM 440 H HB3 . LEU 25 25 ? A -1.919 2.729 -0.131 1.000 1 A 88.770 1
ATOM 441 H HG . LEU 25 25 ? A -3.811 3.478 1.320 1.000 1 A 88.770 1
ATOM 442 H HD11 . LEU 25 25 ? A -1.578 4.143 3.298 1.000 1 A 88.770 1
ATOM 443 H HD12 . LEU 25 25 ? A -3.253 4.725 3.413 1.000 1 A 88.770 1
ATOM 444 H HD13 . LEU 25 25 ? A -2.921 3.002 3.555 1.000 1 A 88.770 1
ATOM 445 H HD21 . LEU 25 25 ? A -1.508 5.452 1.094 1.000 1 A 88.770 1
ATOM 446 H HD22 . LEU 25 25 ? A -3.229 5.857 1.270 1.000 1 A 88.770 1
ATOM 447 H HD23 . LEU 25 25 ? A -2.664 5.040 -0.198 1.000 1 A 88.770 1
ATOM 448 N N . THR 26 26 ? A -3.754 0.400 -0.041 1.000 1 A 87.930 1
ATOM 449 C CA . THR 26 26 ? A -5.082 -0.142 -0.381 1.000 1 A 87.930 1
ATOM 450 C C . THR 26 26 ? A -5.351 -1.473 0.304 1.000 1 A 87.930 1
ATOM 451 O O . THR 26 26 ? A -6.445 -1.650 0.833 1.000 1 A 87.930 1
ATOM 452 C CB . THR 26 26 ? A -5.330 -0.286 -1.891 1.000 1 A 87.930 1
ATOM 453 O OG1 . THR 26 26 ? A -4.167 -0.601 -2.617 1.000 1 A 87.930 1
ATOM 454 C CG2 . THR 26 26 ? A -5.879 1.007 -2.482 1.000 1 A 87.930 1
ATOM 455 H H . THR 26 26 ? A -3.037 0.437 -0.751 1.000 1 A 87.930 1
ATOM 456 H HA . THR 26 26 ? A -5.835 0.542 0.011 1.000 1 A 87.930 1
ATOM 457 H HB . THR 26 26 ? A -6.071 -1.068 -2.058 1.000 1 A 87.930 1
ATOM 458 H HG1 . THR 26 26 ? A -3.543 0.121 -2.511 1.000 1 A 87.930 1
ATOM 459 H HG21 . THR 26 26 ? A -6.014 0.889 -3.557 1.000 1 A 87.930 1
ATOM 460 H HG22 . THR 26 26 ? A -5.191 1.829 -2.285 1.000 1 A 87.930 1
ATOM 461 H HG23 . THR 26 26 ? A -6.846 1.229 -2.031 1.000 1 A 87.930 1
ATOM 462 N N . ASN 27 27 ? A -4.366 -2.374 0.379 1.000 1 A 87.240 1
ATOM 463 C CA . ASN 27 27 ? A -4.507 -3.612 1.147 1.000 1 A 87.240 1
ATOM 464 C C . ASN 27 27 ? A -4.709 -3.340 2.644 1.000 1 A 87.240 1
ATOM 465 O O . ASN 27 27 ? A -5.531 -4.000 3.268 1.000 1 A 87.240 1
ATOM 466 C CB . ASN 27 27 ? A -3.283 -4.513 0.924 1.000 1 A 87.240 1
ATOM 467 C CG . ASN 27 27 ? A -3.348 -5.327 -0.353 1.000 1 A 87.240 1
ATOM 468 O OD1 . ASN 27 27 ? A -4.210 -5.200 -1.203 1.000 1 A 87.240 1
ATOM 469 N ND2 . ASN 27 27 ? A -2.429 -6.251 -0.519 1.000 1 A 87.240 1
ATOM 470 H H . ASN 27 27 ? A -3.509 -2.211 -0.129 1.000 1 A 87.240 1
ATOM 471 H HA . ASN 27 27 ? A -5.398 -4.141 0.808 1.000 1 A 87.240 1
ATOM 472 H HB2 . ASN 27 27 ? A -3.228 -5.223 1.749 1.000 1 A 87.240 1
ATOM 473 H HB3 . ASN 27 27 ? A -2.369 -3.919 0.932 1.000 1 A 87.240 1
ATOM 474 H HD21 . ASN 27 27 ? A -1.762 -6.427 0.219 1.000 1 A 87.240 1
ATOM 475 H HD22 . ASN 27 27 ? A -2.598 -6.891 -1.282 1.000 1 A 87.240 1
ATOM 476 N N . LEU 28 28 ? A -4.002 -2.363 3.219 1.000 1 A 88.130 1
ATOM 477 C CA . LEU 28 28 ? A -4.152 -1.989 4.626 1.000 1 A 88.130 1
ATOM 478 C C . LEU 28 28 ? A -5.555 -1.438 4.921 1.000 1 A 88.130 1
ATOM 479 O O . LEU 28 28 ? A -6.168 -1.838 5.907 1.000 1 A 88.130 1
ATOM 480 C CB . LEU 28 28 ? A -3.045 -0.985 4.985 1.000 1 A 88.130 1
ATOM 481 C CG . LEU 28 28 ? A -3.003 -0.649 6.491 1.000 1 A 88.130 1
ATOM 482 C CD1 . LEU 28 28 ? A -1.657 -1.047 7.096 1.000 1 A 88.130 1
ATOM 483 C CD2 . LEU 28 28 ? A -3.215 0.847 6.722 1.000 1 A 88.130 1
ATOM 484 H H . LEU 28 28 ? A -3.305 -1.880 2.670 1.000 1 A 88.130 1
ATOM 485 H HA . LEU 28 28 ? A -4.020 -2.883 5.236 1.000 1 A 88.130 1
ATOM 486 H HB2 . LEU 28 28 ? A -2.087 -1.408 4.683 1.000 1 A 88.130 1
ATOM 487 H HB3 . LEU 28 28 ? A -3.190 -0.074 4.403 1.000 1 A 88.130 1
ATOM 488 H HG . LEU 28 28 ? A -3.783 -1.193 7.024 1.000 1 A 88.130 1
ATOM 489 H HD11 . LEU 28 28 ? A -1.656 -0.821 8.162 1.000 1 A 88.130 1
ATOM 490 H HD12 . LEU 28 28 ? A -0.847 -0.501 6.612 1.000 1 A 88.130 1
ATOM 491 H HD13 . LEU 28 28 ? A -1.502 -2.119 6.969 1.000 1 A 88.130 1
ATOM 492 H HD21 . LEU 28 28 ? A -4.180 1.147 6.313 1.000 1 A 88.130 1
ATOM 493 H HD22 . LEU 28 28 ? A -2.423 1.420 6.240 1.000 1 A 88.130 1
ATOM 494 H HD23 . LEU 28 28 ? A -3.211 1.056 7.792 1.000 1 A 88.130 1
ATOM 495 N N . LEU 29 29 ? A -6.089 -0.574 4.053 1.000 1 A 86.270 1
ATOM 496 C CA . LEU 29 29 ? A -7.460 -0.063 4.170 1.000 1 A 86.270 1
ATOM 497 C C . LEU 29 29 ? A -8.506 -1.173 4.017 1.000 1 A 86.270 1
ATOM 498 O O . LEU 29 29 ? A -9.477 -1.196 4.769 1.000 1 A 86.270 1
ATOM 499 C CB . LEU 29 29 ? A -7.696 1.034 3.121 1.000 1 A 86.270 1
ATOM 500 C CG . LEU 29 29 ? A -6.967 2.356 3.412 1.000 1 A 86.270 1
ATOM 501 C CD1 . LEU 29 29 ? A -7.129 3.290 2.211 1.000 1 A 86.270 1
ATOM 502 C CD2 . LEU 29 29 ? A -7.522 3.063 4.651 1.000 1 A 86.270 1
ATOM 503 H H . LEU 29 29 ? A -5.522 -0.267 3.275 1.000 1 A 86.270 1
ATOM 504 H HA . LEU 29 29 ? A -7.601 0.353 5.168 1.000 1 A 86.270 1
ATOM 505 H HB2 . LEU 29 29 ? A -8.765 1.240 3.066 1.000 1 A 86.270 1
ATOM 506 H HB3 . LEU 29 29 ? A -7.383 0.656 2.147 1.000 1 A 86.270 1
ATOM 507 H HG . LEU 29 29 ? A -5.904 2.172 3.566 1.000 1 A 86.270 1
ATOM 508 H HD11 . LEU 29 29 ? A -6.604 4.225 2.402 1.000 1 A 86.270 1
ATOM 509 H HD12 . LEU 29 29 ? A -6.700 2.820 1.326 1.000 1 A 86.270 1
ATOM 510 H HD13 . LEU 29 29 ? A -8.185 3.496 2.040 1.000 1 A 86.270 1
ATOM 511 H HD21 . LEU 29 29 ? A -7.325 2.470 5.544 1.000 1 A 86.270 1
ATOM 512 H HD22 . LEU 29 29 ? A -7.035 4.030 4.775 1.000 1 A 86.270 1
ATOM 513 H HD23 . LEU 29 29 ? A -8.596 3.213 4.549 1.000 1 A 86.270 1
ATOM 514 N N . LEU 30 30 ? A -8.291 -2.113 3.094 1.000 1 A 86.270 1
ATOM 515 C CA . LEU 30 30 ? A -9.137 -3.301 2.950 1.000 1 A 86.270 1
ATOM 516 C C . LEU 30 30 ? A -9.126 -4.145 4.227 1.000 1 A 86.270 1
ATOM 517 O O . LEU 30 30 ? A -10.189 -4.453 4.763 1.000 1 A 86.270 1
ATOM 518 C CB . LEU 30 30 ? A -8.673 -4.124 1.732 1.000 1 A 86.270 1
ATOM 519 C CG . LEU 30 30 ? A -9.602 -3.949 0.522 1.000 1 A 86.270 1
ATOM 520 C CD1 . LEU 30 30 ? A -8.891 -4.383 -0.759 1.000 1 A 86.270 1
ATOM 521 C CD2 . LEU 30 30 ? A -10.867 -4.798 0.683 1.000 1 A 86.270 1
ATOM 522 H H . LEU 30 30 ? A -7.493 -2.015 2.484 1.000 1 A 86.270 1
ATOM 523 H HA . LEU 30 30 ? A -10.166 -2.976 2.797 1.000 1 A 86.270 1
ATOM 524 H HB2 . LEU 30 30 ? A -7.658 -3.834 1.460 1.000 1 A 86.270 1
ATOM 525 H HB3 . LEU 30 30 ? A -8.637 -5.183 1.991 1.000 1 A 86.270 1
ATOM 526 H HG . LEU 30 30 ? A -9.878 -2.900 0.420 1.000 1 A 86.270 1
ATOM 527 H HD11 . LEU 30 30 ? A -8.593 -5.429 -0.684 1.000 1 A 86.270 1
ATOM 528 H HD12 . LEU 30 30 ? A -8.006 -3.766 -0.913 1.000 1 A 86.270 1
ATOM 529 H HD13 . LEU 30 30 ? A -9.562 -4.258 -1.609 1.000 1 A 86.270 1
ATOM 530 H HD21 . LEU 30 30 ? A -11.409 -4.496 1.579 1.000 1 A 86.270 1
ATOM 531 H HD22 . LEU 30 30 ? A -11.519 -4.652 -0.178 1.000 1 A 86.270 1
ATOM 532 H HD23 . LEU 30 30 ? A -10.609 -5.854 0.763 1.000 1 A 86.270 1
ATOM 533 N N . SER 31 31 ? A -7.945 -4.449 4.765 1.000 1 A 85.680 1
ATOM 534 C CA . SER 31 31 ? A -7.814 -5.185 6.026 1.000 1 A 85.680 1
ATOM 535 C C . SER 31 31 ? A -8.475 -4.452 7.193 1.000 1 A 85.680 1
ATOM 536 O O . SER 31 31 ? A -9.151 -5.085 8.000 1.000 1 A 85.680 1
ATOM 537 C CB . SER 31 31 ? A -6.341 -5.430 6.353 1.000 1 A 85.680 1
ATOM 538 O OG . SER 31 31 ? A -5.756 -6.263 5.371 1.000 1 A 85.680 1
ATOM 539 H H . SER 31 31 ? A -7.101 -4.223 4.259 1.000 1 A 85.680 1
ATOM 540 H HA . SER 31 31 ? A -8.303 -6.154 5.923 1.000 1 A 85.680 1
ATOM 541 H HB2 . SER 31 31 ? A -5.808 -4.480 6.394 1.000 1 A 85.680 1
ATOM 542 H HB3 . SER 31 31 ? A -6.268 -5.919 7.324 1.000 1 A 85.680 1
ATOM 543 H HG . SER 31 31 ? A -4.840 -6.420 5.610 1.000 1 A 85.680 1
ATOM 544 N N . LEU 32 32 ? A -8.337 -3.124 7.270 1.000 1 A 81.830 1
ATOM 545 C CA . LEU 32 32 ? A -9.009 -2.303 8.281 1.000 1 A 81.830 1
ATOM 546 C C . LEU 32 32 ? A -10.529 -2.349 8.121 1.000 1 A 81.830 1
ATOM 547 O O . LEU 32 32 ? A -11.215 -2.532 9.116 1.000 1 A 81.830 1
ATOM 548 C CB . LEU 32 32 ? A -8.510 -0.850 8.207 1.000 1 A 81.830 1
ATOM 549 C CG . LEU 32 32 ? A -7.165 -0.613 8.912 1.000 1 A 81.830 1
ATOM 550 C CD1 . LEU 32 32 ? A -6.604 0.747 8.499 1.000 1 A 81.830 1
ATOM 551 C CD2 . LEU 32 32 ? A -7.318 -0.624 10.434 1.000 1 A 81.830 1
ATOM 552 H H . LEU 32 32 ? A -7.753 -2.660 6.589 1.000 1 A 81.830 1
ATOM 553 H HA . LEU 32 32 ? A -8.791 -2.712 9.267 1.000 1 A 81.830 1
ATOM 554 H HB2 . LEU 32 32 ? A -8.430 -0.561 7.159 1.000 1 A 81.830 1
ATOM 555 H HB3 . LEU 32 32 ? A -9.252 -0.196 8.665 1.000 1 A 81.830 1
ATOM 556 H HG . LEU 32 32 ? A -6.453 -1.384 8.621 1.000 1 A 81.830 1
ATOM 557 H HD11 . LEU 32 32 ? A -7.300 1.538 8.776 1.000 1 A 81.830 1
ATOM 558 H HD12 . LEU 32 32 ? A -6.447 0.759 7.421 1.000 1 A 81.830 1
ATOM 559 H HD13 . LEU 32 32 ? A -5.648 0.916 8.995 1.000 1 A 81.830 1
ATOM 560 H HD21 . LEU 32 32 ? A -6.367 -0.374 10.905 1.000 1 A 81.830 1
ATOM 561 H HD22 . LEU 32 32 ? A -7.606 -1.623 10.762 1.000 1 A 81.830 1
ATOM 562 H HD23 . LEU 32 32 ? A -8.074 0.095 10.750 1.000 1 A 81.830 1
ATOM 563 N N . SER 33 33 ? A -11.053 -2.247 6.899 1.000 1 A 79.170 1
ATOM 564 C CA . SER 33 33 ? A -12.498 -2.318 6.646 1.000 1 A 79.170 1
ATOM 565 C C . SER 33 33 ? A -13.107 -3.679 6.996 1.000 1 A 79.170 1
ATOM 566 O O . SER 33 33 ? A -14.259 -3.747 7.410 1.000 1 A 79.170 1
ATOM 567 C CB . SER 33 33 ? A -12.797 -1.954 5.188 1.000 1 A 79.170 1
ATOM 568 O OG . SER 33 33 ? A -12.380 -2.949 4.267 1.000 1 A 79.170 1
ATOM 569 H H . SER 33 33 ? A -10.436 -2.051 6.123 1.000 1 A 79.170 1
ATOM 570 H HA . SER 33 33 ? A -12.992 -1.582 7.281 1.000 1 A 79.170 1
ATOM 571 H HB2 . SER 33 33 ? A -13.871 -1.806 5.076 1.000 1 A 79.170 1
ATOM 572 H HB3 . SER 33 33 ? A -12.299 -1.015 4.950 1.000 1 A 79.170 1
ATOM 573 H HG . SER 33 33 ? A -11.588 -3.389 4.585 1.000 1 A 79.170 1
ATOM 574 N N . LEU 34 34 ? A -12.329 -4.758 6.862 1.000 1 A 75.460 1
ATOM 575 C CA . LEU 34 34 ? A -12.745 -6.112 7.233 1.000 1 A 75.460 1
ATOM 576 C C . LEU 34 34 ? A -12.627 -6.373 8.737 1.000 1 A 75.460 1
ATOM 577 O O . LEU 34 34 ? A -13.434 -7.112 9.286 1.000 1 A 75.460 1
ATOM 578 C CB . LEU 34 34 ? A -11.879 -7.130 6.471 1.000 1 A 75.460 1
ATOM 579 C CG . LEU 34 34 ? A -12.156 -7.213 4.961 1.000 1 A 75.460 1
ATOM 580 C CD1 . LEU 34 34 ? A -11.084 -8.082 4.301 1.000 1 A 75.460 1
ATOM 581 C CD2 . LEU 34 34 ? A -13.522 -7.835 4.659 1.000 1 A 75.460 1
ATOM 582 H H . LEU 34 34 ? A -11.406 -4.633 6.472 1.000 1 A 75.460 1
ATOM 583 H HA . LEU 34 34 ? A -13.794 -6.254 6.974 1.000 1 A 75.460 1
ATOM 584 H HB2 . LEU 34 34 ? A -12.041 -8.117 6.902 1.000 1 A 75.460 1
ATOM 585 H HB3 . LEU 34 34 ? A -10.831 -6.874 6.627 1.000 1 A 75.460 1
ATOM 586 H HG . LEU 34 34 ? A -12.118 -6.219 4.517 1.000 1 A 75.460 1
ATOM 587 H HD11 . LEU 34 34 ? A -11.145 -9.104 4.677 1.000 1 A 75.460 1
ATOM 588 H HD12 . LEU 34 34 ? A -10.097 -7.674 4.518 1.000 1 A 75.460 1
ATOM 589 H HD13 . LEU 34 34 ? A -11.231 -8.082 3.221 1.000 1 A 75.460 1
ATOM 590 H HD21 . LEU 34 34 ? A -13.599 -8.816 5.128 1.000 1 A 75.460 1
ATOM 591 H HD22 . LEU 34 34 ? A -14.317 -7.194 5.039 1.000 1 A 75.460 1
ATOM 592 H HD23 . LEU 34 34 ? A -13.650 -7.939 3.582 1.000 1 A 75.460 1
ATOM 593 N N . THR 35 35 ? A -11.606 -5.807 9.388 1.000 1 A 78.240 1
ATOM 594 C CA . THR 35 35 ? A -11.342 -6.009 10.827 1.000 1 A 78.240 1
ATOM 595 C C . THR 35 35 ? A -12.204 -5.096 11.693 1.000 1 A 78.240 1
ATOM 596 O O . THR 35 35 ? A -12.667 -5.498 12.756 1.000 1 A 78.240 1
ATOM 597 C CB . THR 35 35 ? A -9.863 -5.767 11.160 1.000 1 A 78.240 1
ATOM 598 O OG1 . THR 35 35 ? A -9.036 -6.535 10.315 1.000 1 A 78.240 1
ATOM 599 C CG2 . THR 35 35 ? A -9.509 -6.149 12.597 1.000 1 A 78.240 1
ATOM 600 H H . THR 35 35 ? A -10.961 -5.245 8.852 1.000 1 A 78.240 1
ATOM 601 H HA . THR 35 35 ? A -11.586 -7.037 11.095 1.000 1 A 78.240 1
ATOM 602 H HB . THR 35 35 ? A -9.625 -4.714 11.007 1.000 1 A 78.240 1
ATOM 603 H HG1 . THR 35 35 ? A -9.124 -6.163 9.434 1.000 1 A 78.240 1
ATOM 604 H HG21 . THR 35 35 ? A -10.018 -5.487 13.298 1.000 1 A 78.240 1
ATOM 605 H HG22 . THR 35 35 ? A -9.805 -7.180 12.791 1.000 1 A 78.240 1
ATOM 606 H HG23 . THR 35 35 ? A -8.434 -6.049 12.746 1.000 1 A 78.240 1
ATOM 607 N N . TYR 36 36 ? A -12.446 -3.878 11.220 1.000 1 A 72.300 1
ATOM 608 C CA . TYR 36 36 ? A -13.382 -2.921 11.783 1.000 1 A 72.300 1
ATOM 609 C C . TYR 36 36 ? A -14.514 -2.736 10.771 1.000 1 A 72.300 1
ATOM 610 O O . TYR 36 36 ? A -14.606 -1.656 10.175 1.000 1 A 72.300 1
ATOM 611 C CB . TYR 36 36 ? A -12.665 -1.594 12.096 1.000 1 A 72.300 1
ATOM 612 C CG . TYR 36 36 ? A -11.472 -1.710 13.018 1.000 1 A 72.300 1
ATOM 613 C CD1 . TYR 36 36 ? A -11.657 -1.685 14.412 1.000 1 A 72.300 1
ATOM 614 C CD2 . TYR 36 36 ? A -10.178 -1.832 12.477 1.000 1 A 72.300 1
ATOM 615 C CE1 . TYR 36 36 ? A -10.547 -1.784 15.272 1.000 1 A 72.300 1
ATOM 616 C CE2 . TYR 36 36 ? A -9.066 -1.934 13.334 1.000 1 A 72.300 1
ATOM 617 C CZ . TYR 36 36 ? A -9.250 -1.909 14.730 1.000 1 A 72.300 1
ATOM 618 O OH . TYR 36 36 ? A -8.172 -2.007 15.549 1.000 1 A 72.300 1
ATOM 619 H H . TYR 36 36 ? A -12.032 -3.619 10.336 1.000 1 A 72.300 1
ATOM 620 H HA . TYR 36 36 ? A -13.807 -3.304 12.711 1.000 1 A 72.300 1
ATOM 621 H HB2 . TYR 36 36 ? A -12.330 -1.136 11.165 1.000 1 A 72.300 1
ATOM 622 H HB3 . TYR 36 36 ? A -13.386 -0.913 12.547 1.000 1 A 72.300 1
ATOM 623 H HD1 . TYR 36 36 ? A -12.654 -1.596 14.818 1.000 1 A 72.300 1
ATOM 624 H HD2 . TYR 36 36 ? A -10.048 -1.853 11.405 1.000 1 A 72.300 1
ATOM 625 H HE1 . TYR 36 36 ? A -10.693 -1.770 16.342 1.000 1 A 72.300 1
ATOM 626 H HE2 . TYR 36 36 ? A -8.065 -2.035 12.942 1.000 1 A 72.300 1
ATOM 627 H HH . TYR 36 36 ? A -8.434 -2.011 16.472 1.000 1 A 72.300 1
ATOM 628 N N . PRO 37 37 ? A -15.366 -3.760 10.524 1.000 1 A 63.920 1
ATOM 629 C CA . PRO 37 37 ? A -16.633 -3.478 9.877 1.000 1 A 63.920 1
ATOM 630 C C . PRO 37 37 ? A -17.265 -2.441 10.784 1.000 1 A 63.920 1
ATOM 631 O O . PRO 37 37 ? A -17.408 -2.678 11.985 1.000 1 A 63.920 1
ATOM 632 C CB . PRO 37 37 ? A -17.413 -4.791 9.837 1.000 1 A 63.920 1
ATOM 633 C CG . PRO 37 37 ? A -16.886 -5.551 11.052 1.000 1 A 63.920 1
ATOM 634 C CD . PRO 37 37 ? A -15.447 -5.049 11.205 1.000 1 A 63.920 1
ATOM 635 H HA . PRO 37 37 ? A -16.487 -3.086 8.871 1.000 1 A 63.920 1
ATOM 636 H HB2 . PRO 37 37 ? A -18.490 -4.634 9.891 1.000 1 A 63.920 1
ATOM 637 H HB3 . PRO 37 37 ? A -17.150 -5.336 8.930 1.000 1 A 63.920 1
ATOM 638 H HG2 . PRO 37 37 ? A -16.915 -6.629 10.893 1.000 1 A 63.920 1
ATOM 639 H HG3 . PRO 37 37 ? A -17.464 -5.287 11.938 1.000 1 A 63.920 1
ATOM 640 H HD2 . PRO 37 37 ? A -14.766 -5.754 10.728 1.000 1 A 63.920 1
ATOM 641 H HD3 . PRO 37 37 ? A -15.206 -4.960 12.264 1.000 1 A 63.920 1
ATOM 642 N N . VAL 38 38 ? A -17.437 -1.235 10.248 1.000 1 A 65.220 1
ATOM 643 C CA . VAL 38 38 ? A -17.803 -0.089 11.055 1.000 1 A 65.220 1
ATOM 644 C C . VAL 38 38 ? A -18.961 -0.523 11.935 1.000 1 A 65.220 1
ATOM 645 O O . VAL 38 38 ? A -19.954 -1.037 11.425 1.000 1 A 65.220 1
ATOM 646 C CB . VAL 38 38 ? A -18.196 1.118 10.193 1.000 1 A 65.220 1
ATOM 647 C CG1 . VAL 38 38 ? A -18.214 2.346 11.099 1.000 1 A 65.220 1
ATOM 648 C CG2 . VAL 38 38 ? A -17.191 1.421 9.073 1.000 1 A 65.220 1
ATOM 649 H H . VAL 38 38 ? A -17.170 -1.096 9.284 1.000 1 A 65.220 1
ATOM 650 H HA . VAL 38 38 ? A -16.948 0.172 11.679 1.000 1 A 65.220 1
ATOM 651 H HB . VAL 38 38 ? A -19.180 0.958 9.753 1.000 1 A 65.220 1
ATOM 652 H HG11 . VAL 38 38 ? A -18.517 3.234 10.544 1.000 1 A 65.220 1
ATOM 653 H HG12 . VAL 38 38 ? A -18.869 2.183 11.955 1.000 1 A 65.220 1
ATOM 654 H HG13 . VAL 38 38 ? A -17.212 2.525 11.488 1.000 1 A 65.220 1
ATOM 655 H HG21 . VAL 38 38 ? A -17.454 2.358 8.582 1.000 1 A 65.220 1
ATOM 656 H HG22 . VAL 38 38 ? A -17.216 0.628 8.325 1.000 1 A 65.220 1
ATOM 657 H HG23 . VAL 38 38 ? A -16.184 1.494 9.483 1.000 1 A 65.220 1
ATOM 658 N N . THR 39 39 ? A -18.801 -0.335 13.241 1.000 1 A 63.870 1
ATOM 659 C CA . THR 39 39 ? A -19.827 -0.443 14.280 1.000 1 A 63.870 1
ATOM 660 C C . THR 39 39 ? A -20.926 0.617 14.058 1.000 1 A 63.870 1
ATOM 661 O O . THR 39 39 ? A -21.372 1.288 14.982 1.000 1 A 63.870 1
ATOM 662 C CB . THR 39 39 ? A -19.170 -0.334 15.683 1.000 1 A 63.870 1
ATOM 663 O OG1 . THR 39 39 ? A -17.753 -0.395 15.630 1.000 1 A 63.870 1
ATOM 664 C CG2 . THR 39 39 ? A -19.598 -1.465 16.613 1.000 1 A 63.870 1
ATOM 665 H H . THR 39 39 ? A -17.880 -0.099 13.580 1.000 1 A 63.870 1
ATOM 666 H HA . THR 39 39 ? A -20.305 -1.418 14.186 1.000 1 A 63.870 1
ATOM 667 H HB . THR 39 39 ? A -19.426 0.615 16.155 1.000 1 A 63.870 1
ATOM 668 H HG1 . THR 39 39 ? A -17.470 -0.731 16.484 1.000 1 A 63.870 1
ATOM 669 H HG21 . THR 39 39 ? A -19.152 -1.331 17.598 1.000 1 A 63.870 1
ATOM 670 H HG22 . THR 39 39 ? A -20.683 -1.449 16.718 1.000 1 A 63.870 1
ATOM 671 H HG23 . THR 39 39 ? A -19.298 -2.427 16.196 1.000 1 A 63.870 1
ATOM 672 N N . ILE 40 40 ? A -21.306 0.849 12.796 1.000 1 A 58.590 1
ATOM 673 C CA . ILE 40 40 ? A -22.509 1.544 12.381 1.000 1 A 58.590 1
ATOM 674 C C . ILE 40 40 ? A -23.616 0.508 12.555 1.000 1 A 58.590 1
ATOM 675 O O . ILE 40 40 ? A -23.758 -0.383 11.717 1.000 1 A 58.590 1
ATOM 676 C CB . ILE 40 40 ? A -22.390 2.070 10.925 1.000 1 A 58.590 1
ATOM 677 C CG1 . ILE 40 40 ? A -21.466 3.304 10.839 1.000 1 A 58.590 1
ATOM 678 C CG2 . ILE 40 40 ? A -23.762 2.501 10.370 1.000 1 A 58.590 1
ATOM 679 C CD1 . ILE 40 40 ? A -20.917 3.567 9.425 1.000 1 A 58.590 1
ATOM 680 H H . ILE 40 40 ? A -20.961 0.184 12.118 1.000 1 A 58.590 1
ATOM 681 H HA . ILE 40 40 ? A -22.700 2.387 13.045 1.000 1 A 58.590 1
ATOM 682 H HB . ILE 40 40 ? A -21.990 1.273 10.299 1.000 1 A 58.590 1
ATOM 683 H HG12 . ILE 40 40 ? A -20.641 3.194 11.543 1.000 1 A 58.590 1
ATOM 684 H HG13 . ILE 40 40 ? A -22.011 4.188 11.169 1.000 1 A 58.590 1
ATOM 685 H HG21 . ILE 40 40 ? A -23.665 2.916 9.367 1.000 1 A 58.590 1
ATOM 686 H HG22 . ILE 40 40 ? A -24.223 3.239 11.027 1.000 1 A 58.590 1
ATOM 687 H HG23 . ILE 40 40 ? A -24.425 1.639 10.293 1.000 1 A 58.590 1
ATOM 688 H HD11 . ILE 40 40 ? A -20.209 4.395 9.457 1.000 1 A 58.590 1
ATOM 689 H HD12 . ILE 40 40 ? A -21.726 3.842 8.749 1.000 1 A 58.590 1
ATOM 690 H HD13 . ILE 40 40 ? A -20.422 2.679 9.033 1.000 1 A 58.590 1
ATOM 691 N N . LEU 41 41 ? A -24.370 0.712 13.638 1.000 1 A 49.890 1
ATOM 692 C CA . LEU 41 41 ? A -25.527 -0.026 14.163 1.000 1 A 49.890 1
ATOM 693 C C . LEU 41 41 ? A -25.194 -1.010 15.286 1.000 1 A 49.890 1
ATOM 694 O O . LEU 41 41 ? A -24.828 -2.171 15.010 1.000 1 A 49.890 1
ATOM 695 C CB . LEU 41 41 ? A -26.458 -0.548 13.048 1.000 1 A 49.890 1
ATOM 696 C CG . LEU 41 41 ? A -27.079 0.583 12.214 1.000 1 A 49.890 1
ATOM 697 C CD1 . LEU 41 41 ? A -27.542 0.056 10.861 1.000 1 A 49.890 1
ATOM 698 C CD2 . LEU 41 41 ? A -28.282 1.184 12.945 1.000 1 A 49.890 1
ATOM 699 O OXT . LEU 41 41 ? A -25.352 -0.529 16.428 1.000 1 A 49.890 1
ATOM 700 H H . LEU 41 41 ? A -24.005 1.400 14.281 1.000 1 A 49.890 1
ATOM 701 H HA . LEU 41 41 ? A -26.115 0.714 14.706 1.000 1 A 49.890 1
ATOM 702 H HB2 . LEU 41 41 ? A -25.903 -1.239 12.414 1.000 1 A 49.890 1
ATOM 703 H HB3 . LEU 41 41 ? A -27.253 -1.137 13.507 1.000 1 A 49.890 1
ATOM 704 H HG . LEU 41 41 ? A -26.352 1.373 12.028 1.000 1 A 49.890 1
ATOM 705 H HD11 . LEU 41 41 ? A -27.987 0.864 10.280 1.000 1 A 49.890 1
ATOM 706 H HD12 . LEU 41 41 ? A -28.267 -0.744 11.004 1.000 1 A 49.890 1
ATOM 707 H HD13 . LEU 41 41 ? A -26.678 -0.335 10.323 1.000 1 A 49.890 1
ATOM 708 H HD21 . LEU 41 41 ? A -29.031 0.413 13.124 1.000 1 A 49.890 1
ATOM 709 H HD22 . LEU 41 41 ? A -28.715 1.984 12.344 1.000 1 A 49.890 1
ATOM 710 H HD23 . LEU 41 41 ? A -27.961 1.596 13.902 1.000 1 A 49.890 1

loop_
_atom_type.symbol
C
H
N
O
S

loop_
_ma_qa_metric.id
_ma_qa_metric.name
_ma_qa_metric.description
_ma_qa_metric.type
_ma_qa_metric.mode
_ma_qa_metric.type_other_details
_ma_qa_metric.software_group_id
1 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT global . .
2 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . .

loop_
_ma_qa_metric_global.ordinal_id
_ma_qa_metric_global.model_id
_ma_qa_metric_global.metric_id
_ma_qa_metric_global.metric_value
1 1 1 72.766

loop_
_ma_qa_metric_local.ordinal_id
_ma_qa_metric_local.model_id
_ma_qa_metric_local.label_asym_id
_ma_qa_metric_local.label_seq_id
_ma_qa_metric_local.label_comp_id
_ma_qa_metric_local.metric_id
_ma_qa_metric_local.metric_value
1 1 A 1 MET 2 53.230
2 1 A 2 PHE 2 57.370
3 1 A 3 PHE 2 57.170
4 1 A 4 PHE 2 62.540
5 1 A 5 SER 2 64.870
6 1 A 6 TYR 2 65.040
7 1 A 7 PHE 2 62.350
8 1 A 8 ALA 2 66.380
9 1 A 9 THR 2 65.660
10 1 A 10 GLY 2 64.210
11 1 A 11 ASN 2 64.190
12 1 A 12 ILE 2 64.710
13 1 A 13 LYS 2 67.170
14 1 A 14 TRP 2 64.480
15 1 A 15 TRP 2 71.250
16 1 A 16 PRO 2 71.100
17 1 A 17 VAL 2 78.990
18 1 A 18 HIS 2 79.750
19 1 A 19 LEU 2 79.150
20 1 A 20 PHE 2 81.570
21 1 A 21 ASN 2 82.870
22 1 A 22 LYS 2 85.090
23 1 A 23 LYS 2 87.490
24 1 A 24 ILE 2 88.000
25 1 A 25 LEU 2 88.770
26 1 A 26 THR 2 87.930
27 1 A 27 ASN 2 87.240
28 1 A 28 LEU 2 88.130
29 1 A 29 LEU 2 86.270
30 1 A 30 LEU 2 86.270
31 1 A 31 SER 2 85.680
32 1 A 32 LEU 2 81.830
33 1 A 33 SER 2 79.170
34 1 A 34 LEU 2 75.460
35 1 A 35 THR 2 78.240
36 1 A 36 TYR 2 72.300
37 1 A 37 PRO 2 63.920
38 1 A 38 VAL 2 65.220
39 1 A 39 THR 2 63.870
40 1 A 40 ILE 2 58.590
41 1 A 41 LEU 2 49.890

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-014
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-014

_pdbx_database_status.entry_id ma-asfv-asfvg-014
_pdbx_database_status.date_coordinates 2022-07-29:17:48
_pdbx_database_status.status_code REL

loop_
_pdbx_contact_author.id
_pdbx_contact_author.name_salutation
_pdbx_contact_author.name_first
_pdbx_contact_author.name_last
_pdbx_contact_author.name_mi
_pdbx_contact_author.email
_pdbx_contact_author.address_1
_pdbx_contact_author.address_2
_pdbx_contact_author.address_3
7 Dr. Manuel Borca . manuel.borca@usda.gov
;Plum Island Animal Disease Center, 
Agricultural Research Service
11944 Greenport
New York
United States
;
. .
8 Dr. Douglas Gladue . douglas.gladue@usda.gov
;Plum Island Animal Disease Center, 
Agricultural Research Service
11944 Greenport
New York
United States
;
. .

loop_
_pdbx_audit_revision_history.ordinal
_pdbx_audit_revision_history.data_content_type
_pdbx_audit_revision_history.major_revision
_pdbx_audit_revision_history.minor_revision
_pdbx_audit_revision_history.revision_date
1 'Structure model' 1 0 2022-09-30
2 'Structure model' 1 1 2023-06-29
3 'Structure model' 1 2 2023-07-19
4 'Structure model' 1 3 2023-07-20

loop_
_pdbx_audit_revision_details.ordinal
_pdbx_audit_revision_details.revision_ordinal
_pdbx_audit_revision_details.data_content_type
_pdbx_audit_revision_details.provider
_pdbx_audit_revision_details.type
_pdbx_audit_revision_details.description
1 1 'Structure model' repository 'Initial release' ?
2 3 'Structure model' repository Remediation 'Reference database remediation'

loop_
_pdbx_audit_revision_group.ordinal
_pdbx_audit_revision_group.revision_ordinal
_pdbx_audit_revision_group.data_content_type
_pdbx_audit_revision_group.group
1 2 'Structure model' 'Database references'
2 2 'Structure model' 'Source and taxonomy'
3 3 'Structure model' Other
4 3 'Structure model' 'Database references'
5 4 'Structure model' Other

loop_
_pdbx_audit_revision_category.ordinal
_pdbx_audit_revision_category.revision_ordinal
_pdbx_audit_revision_category.data_content_type
_pdbx_audit_revision_category.category
1 2 'Structure model' ma_target_ref_db_details
2 3 'Structure model' ma_data
3 3 'Structure model' ma_data_group
4 3 'Structure model' ma_data_ref_db
5 4 'Structure model' exptl

loop_
_pdbx_audit_revision_item.ordinal
_pdbx_audit_revision_item.revision_ordinal
_pdbx_audit_revision_item.data_content_type
_pdbx_audit_revision_item.item
1 2 'Structure model' '_ma_target_ref_db_details.db_accession'
2 2 'Structure model' '_ma_target_ref_db_details.db_code'
3 3 'Structure model' '_ma_data.id'
4 3 'Structure model' '_ma_data.name'
5 3 'Structure model' '_ma_data.content_type'
6 3 'Structure model' '_ma_data.content_type_other_details'
7 3 'Structure model' '_ma_data_group.ordinal_id'
8 3 'Structure model' '_ma_data_group.group_id'
9 3 'Structure model' '_ma_data_group.data_id'
10 3 'Structure model' '_ma_data_ref_db.data_id'
11 3 'Structure model' '_ma_data_ref_db.name'
12 3 'Structure model' '_ma_data_ref_db.location_url'
13 3 'Structure model' '_ma_data_ref_db.version'
14 3 'Structure model' '_ma_data_ref_db.release_date'
15 4 'Structure model' '_exptl.entry_id'
16 4 'Structure model' '_exptl.method'