data_ma-asfv-asfvg-025
_entry.id ma-asfv-asfvg-025
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-025
_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 01020'

_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'
ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core'
ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core'
ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core'
GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core'
GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core'
GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 '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'
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 01020 protein' 6948.038 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 . A0A1C6ZYU4_ASF A0A1C6ZYU4 . 1 52 10497 'African swine fever virus (ASFV)' 2016-11-02 9B766ED61D627B50
1 NCBI . CAD2068434.1 1886136959 . 1 52 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 MKKKDAYEQAKAYNILNVAFLLPVMALPKDMLLRIFPKELVQTLLSQEGQRD MKKKDAYEQAKAYNILNVAFLLPVMALPKDMLLRIFPKELVQTLLSQEGQRD

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET .
1 2 LYS .
1 3 LYS .
1 4 LYS .
1 5 ASP .
1 6 ALA .
1 7 TYR .
1 8 GLU .
1 9 GLN .
1 10 ALA .
1 11 LYS .
1 12 ALA .
1 13 TYR .
1 14 ASN .
1 15 ILE .
1 16 LEU .
1 17 ASN .
1 18 VAL .
1 19 ALA .
1 20 PHE .
1 21 LEU .
1 22 LEU .
1 23 PRO .
1 24 VAL .
1 25 MET .
1 26 ALA .
1 27 LEU .
1 28 PRO .
1 29 LYS .
1 30 ASP .
1 31 MET .
1 32 LEU .
1 33 LEU .
1 34 ARG .
1 35 ILE .
1 36 PHE .
1 37 PRO .
1 38 LYS .
1 39 GLU .
1 40 LEU .
1 41 VAL .
1 42 GLN .
1 43 THR .
1 44 LEU .
1 45 LEU .
1 46 SER .
1 47 GLN .
1 48 GLU .
1 49 GLY .
1 50 GLN .
1 51 ARG .
1 52 ASP .

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 LYS 2 2 LYS LYS A .
A 1 3 LYS 3 3 LYS LYS A .
A 1 4 LYS 4 4 LYS LYS A .
A 1 5 ASP 5 5 ASP ASP A .
A 1 6 ALA 6 6 ALA ALA A .
A 1 7 TYR 7 7 TYR TYR A .
A 1 8 GLU 8 8 GLU GLU A .
A 1 9 GLN 9 9 GLN GLN A .
A 1 10 ALA 10 10 ALA ALA A .
A 1 11 LYS 11 11 LYS LYS A .
A 1 12 ALA 12 12 ALA ALA A .
A 1 13 TYR 13 13 TYR TYR A .
A 1 14 ASN 14 14 ASN ASN A .
A 1 15 ILE 15 15 ILE ILE A .
A 1 16 LEU 16 16 LEU LEU A .
A 1 17 ASN 17 17 ASN ASN A .
A 1 18 VAL 18 18 VAL VAL A .
A 1 19 ALA 19 19 ALA ALA A .
A 1 20 PHE 20 20 PHE PHE A .
A 1 21 LEU 21 21 LEU LEU A .
A 1 22 LEU 22 22 LEU LEU A .
A 1 23 PRO 23 23 PRO PRO A .
A 1 24 VAL 24 24 VAL VAL A .
A 1 25 MET 25 25 MET MET A .
A 1 26 ALA 26 26 ALA ALA A .
A 1 27 LEU 27 27 LEU LEU A .
A 1 28 PRO 28 28 PRO PRO A .
A 1 29 LYS 29 29 LYS LYS A .
A 1 30 ASP 30 30 ASP ASP A .
A 1 31 MET 31 31 MET MET A .
A 1 32 LEU 32 32 LEU LEU A .
A 1 33 LEU 33 33 LEU LEU A .
A 1 34 ARG 34 34 ARG ARG A .
A 1 35 ILE 35 35 ILE ILE A .
A 1 36 PHE 36 36 PHE PHE A .
A 1 37 PRO 37 37 PRO PRO A .
A 1 38 LYS 38 38 LYS LYS A .
A 1 39 GLU 39 39 GLU GLU A .
A 1 40 LEU 40 40 LEU LEU A .
A 1 41 VAL 41 41 VAL VAL A .
A 1 42 GLN 42 42 GLN GLN A .
A 1 43 THR 43 43 THR THR A .
A 1 44 LEU 44 44 LEU LEU A .
A 1 45 LEU 45 45 LEU LEU A .
A 1 46 SER 46 46 SER SER A .
A 1 47 GLN 47 47 GLN GLN A .
A 1 48 GLU 48 48 GLU GLU A .
A 1 49 GLY 49 49 GLY GLY A .
A 1 50 GLN 50 50 GLN GLN A .
A 1 51 ARG 51 51 ARG ARG A .
A 1 52 ASP 52 52 ASP ASP A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G ASFV G ACD 01020 protein' target .
2 'Model 1 (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 1 (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 20.644 3.648 -19.502 1.000 1 A 47.580 1
ATOM 2 C CA . MET 1 1 ? A 19.216 3.248 -19.563 1.000 1 A 47.580 1
ATOM 3 C C . MET 1 1 ? A 19.031 1.995 -18.702 1.000 1 A 47.580 1
ATOM 4 O O . MET 1 1 ? A 19.947 1.187 -18.725 1.000 1 A 47.580 1
ATOM 5 C CB . MET 1 1 ? A 18.816 3.008 -21.029 1.000 1 A 47.580 1
ATOM 6 C CG . MET 1 1 ? A 18.447 4.317 -21.744 1.000 1 A 47.580 1
ATOM 7 S SD . MET 1 1 ? A 18.606 4.223 -23.543 1.000 1 A 47.580 1
ATOM 8 C CE . MET 1 1 ? A 17.394 5.468 -24.076 1.000 1 A 47.580 1
ATOM 9 H H . MET 1 1 ? A 20.911 3.892 -18.559 1.000 1 A 47.580 1
ATOM 10 H H2 . MET 1 1 ? A 20.825 4.421 -20.125 1.000 1 A 47.580 1
ATOM 11 H HA . MET 1 1 ? A 18.583 4.037 -19.158 1.000 1 A 47.580 1
ATOM 12 H HB2 . MET 1 1 ? A 17.951 2.346 -21.071 1.000 1 A 47.580 1
ATOM 13 H HB3 . MET 1 1 ? A 19.638 2.520 -21.553 1.000 1 A 47.580 1
ATOM 14 H HG2 . MET 1 1 ? A 17.418 4.572 -21.491 1.000 1 A 47.580 1
ATOM 15 H HG3 . MET 1 1 ? A 19.093 5.124 -21.399 1.000 1 A 47.580 1
ATOM 16 H HE1 . MET 1 1 ? A 17.394 5.528 -25.164 1.000 1 A 47.580 1
ATOM 17 H HE2 . MET 1 1 ? A 16.397 5.185 -23.739 1.000 1 A 47.580 1
ATOM 18 H HE3 . MET 1 1 ? A 17.656 6.444 -23.668 1.000 1 A 47.580 1
ATOM 19 H H3 . MET 1 1 ? A 21.207 2.860 -19.791 1.000 1 A 47.580 1
ATOM 20 N N . LYS 2 2 ? A 17.928 1.862 -17.937 1.000 1 A 62.650 1
ATOM 21 C CA . LYS 2 2 ? A 17.559 0.797 -16.951 1.000 1 A 62.650 1
ATOM 22 C C . LYS 2 2 ? A 17.695 1.069 -15.432 1.000 1 A 62.650 1
ATOM 23 O O . LYS 2 2 ? A 17.323 0.201 -14.656 1.000 1 A 62.650 1
ATOM 24 C CB . LYS 2 2 ? A 18.092 -0.619 -17.300 1.000 1 A 62.650 1
ATOM 25 C CG . LYS 2 2 ? A 17.653 -1.162 -18.669 1.000 1 A 62.650 1
ATOM 26 C CD . LYS 2 2 ? A 18.042 -2.642 -18.811 1.000 1 A 62.650 1
ATOM 27 C CE . LYS 2 2 ? A 17.567 -3.188 -20.164 1.000 1 A 62.650 1
ATOM 28 N NZ . LYS 2 2 ? A 17.811 -4.648 -20.296 1.000 1 A 62.650 1
ATOM 29 H H . LYS 2 2 ? A 17.186 2.528 -18.097 1.000 1 A 62.650 1
ATOM 30 H HA . LYS 2 2 ? A 16.477 0.700 -17.044 1.000 1 A 62.650 1
ATOM 31 H HB2 . LYS 2 2 ? A 17.710 -1.318 -16.556 1.000 1 A 62.650 1
ATOM 32 H HB3 . LYS 2 2 ? A 19.179 -0.644 -17.219 1.000 1 A 62.650 1
ATOM 33 H HG2 . LYS 2 2 ? A 16.569 -1.074 -18.754 1.000 1 A 62.650 1
ATOM 34 H HG3 . LYS 2 2 ? A 18.116 -0.589 -19.471 1.000 1 A 62.650 1
ATOM 35 H HD2 . LYS 2 2 ? A 19.125 -2.742 -18.733 1.000 1 A 62.650 1
ATOM 36 H HD3 . LYS 2 2 ? A 17.573 -3.210 -18.007 1.000 1 A 62.650 1
ATOM 37 H HE2 . LYS 2 2 ? A 16.500 -2.986 -20.258 1.000 1 A 62.650 1
ATOM 38 H HE3 . LYS 2 2 ? A 18.077 -2.647 -20.960 1.000 1 A 62.650 1
ATOM 39 H HZ1 . LYS 2 2 ? A 17.482 -4.984 -21.190 1.000 1 A 62.650 1
ATOM 40 H HZ2 . LYS 2 2 ? A 17.316 -5.160 -19.580 1.000 1 A 62.650 1
ATOM 41 H HZ3 . LYS 2 2 ? A 18.795 -4.865 -20.222 1.000 1 A 62.650 1
ATOM 42 N N . LYS 3 3 ? A 18.174 2.235 -14.966 1.000 1 A 59.420 1
ATOM 43 C CA . LYS 3 3 ? A 18.267 2.533 -13.508 1.000 1 A 59.420 1
ATOM 44 C C . LYS 3 3 ? A 17.247 3.542 -12.961 1.000 1 A 59.420 1
ATOM 45 O O . LYS 3 3 ? A 17.132 3.657 -11.748 1.000 1 A 59.420 1
ATOM 46 C CB . LYS 3 3 ? A 19.703 2.914 -13.092 1.000 1 A 59.420 1
ATOM 47 C CG . LYS 3 3 ? A 20.671 1.718 -13.108 1.000 1 A 59.420 1
ATOM 48 C CD . LYS 3 3 ? A 22.001 2.075 -12.420 1.000 1 A 59.420 1
ATOM 49 C CE . LYS 3 3 ? A 22.960 0.876 -12.416 1.000 1 A 59.420 1
ATOM 50 N NZ . LYS 3 3 ? A 24.212 1.162 -11.665 1.000 1 A 59.420 1
ATOM 51 H H . LYS 3 3 ? A 18.476 2.929 -15.635 1.000 1 A 59.420 1
ATOM 52 H HA . LYS 3 3 ? A 18.022 1.632 -12.945 1.000 1 A 59.420 1
ATOM 53 H HB2 . LYS 3 3 ? A 19.674 3.300 -12.073 1.000 1 A 59.420 1
ATOM 54 H HB3 . LYS 3 3 ? A 20.079 3.707 -13.739 1.000 1 A 59.420 1
ATOM 55 H HG2 . LYS 3 3 ? A 20.216 0.883 -12.575 1.000 1 A 59.420 1
ATOM 56 H HG3 . LYS 3 3 ? A 20.859 1.416 -14.138 1.000 1 A 59.420 1
ATOM 57 H HD2 . LYS 3 3 ? A 22.463 2.913 -12.941 1.000 1 A 59.420 1
ATOM 58 H HD3 . LYS 3 3 ? A 21.793 2.372 -11.391 1.000 1 A 59.420 1
ATOM 59 H HE2 . LYS 3 3 ? A 22.447 0.028 -11.963 1.000 1 A 59.420 1
ATOM 60 H HE3 . LYS 3 3 ? A 23.193 0.607 -13.446 1.000 1 A 59.420 1
ATOM 61 H HZ1 . LYS 3 3 ? A 24.005 1.379 -10.700 1.000 1 A 59.420 1
ATOM 62 H HZ2 . LYS 3 3 ? A 24.716 1.940 -12.065 1.000 1 A 59.420 1
ATOM 63 H HZ3 . LYS 3 3 ? A 24.821 0.357 -11.666 1.000 1 A 59.420 1
ATOM 64 N N . LYS 4 4 ? A 16.523 4.274 -13.816 1.000 1 A 57.710 1
ATOM 65 C CA . LYS 4 4 ? A 15.554 5.285 -13.349 1.000 1 A 57.710 1
ATOM 66 C C . LYS 4 4 ? A 14.239 4.653 -12.880 1.000 1 A 57.710 1
ATOM 67 O O . LYS 4 4 ? A 13.691 5.094 -11.879 1.000 1 A 57.710 1
ATOM 68 C CB . LYS 4 4 ? A 15.335 6.381 -14.406 1.000 1 A 57.710 1
ATOM 69 C CG . LYS 4 4 ? A 16.499 7.389 -14.434 1.000 1 A 57.710 1
ATOM 70 C CD . LYS 4 4 ? A 16.187 8.577 -15.357 1.000 1 A 57.710 1
ATOM 71 C CE . LYS 4 4 ? A 17.283 9.651 -15.281 1.000 1 A 57.710 1
ATOM 72 N NZ . LYS 4 4 ? A 16.918 10.860 -16.067 1.000 1 A 57.710 1
ATOM 73 H H . LYS 4 4 ? A 16.545 4.044 -14.799 1.000 1 A 57.710 1
ATOM 74 H HA . LYS 4 4 ? A 15.940 5.765 -12.450 1.000 1 A 57.710 1
ATOM 75 H HB2 . LYS 4 4 ? A 14.425 6.921 -14.147 1.000 1 A 57.710 1
ATOM 76 H HB3 . LYS 4 4 ? A 15.190 5.933 -15.390 1.000 1 A 57.710 1
ATOM 77 H HG2 . LYS 4 4 ? A 17.407 6.891 -14.775 1.000 1 A 57.710 1
ATOM 78 H HG3 . LYS 4 4 ? A 16.664 7.766 -13.425 1.000 1 A 57.710 1
ATOM 79 H HD2 . LYS 4 4 ? A 16.082 8.221 -16.382 1.000 1 A 57.710 1
ATOM 80 H HD3 . LYS 4 4 ? A 15.239 9.015 -15.045 1.000 1 A 57.710 1
ATOM 81 H HE2 . LYS 4 4 ? A 17.419 9.924 -14.235 1.000 1 A 57.710 1
ATOM 82 H HE3 . LYS 4 4 ? A 18.221 9.230 -15.642 1.000 1 A 57.710 1
ATOM 83 H HZ1 . LYS 4 4 ? A 16.058 11.253 -15.713 1.000 1 A 57.710 1
ATOM 84 H HZ2 . LYS 4 4 ? A 17.629 11.573 -15.992 1.000 1 A 57.710 1
ATOM 85 H HZ3 . LYS 4 4 ? A 16.773 10.640 -17.042 1.000 1 A 57.710 1
ATOM 86 N N . ASP 5 5 ? A 13.812 3.567 -13.518 1.000 1 A 61.720 1
ATOM 87 C CA . ASP 5 5 ? A 12.505 2.951 -13.258 1.000 1 A 61.720 1
ATOM 88 C C . ASP 5 5 ? A 12.430 2.269 -11.887 1.000 1 A 61.720 1
ATOM 89 O O . ASP 5 5 ? A 11.430 2.391 -11.190 1.000 1 A 61.720 1
ATOM 90 C CB . ASP 5 5 ? A 12.199 1.969 -14.396 1.000 1 A 61.720 1
ATOM 91 C CG . ASP 5 5 ? A 12.413 2.655 -15.746 1.000 1 A 61.720 1
ATOM 92 O OD1 . ASP 5 5 ? A 11.624 3.561 -16.069 1.000 1 A 61.720 1
ATOM 93 O OD2 . ASP 5 5 ? A 13.489 2.402 -16.349 1.000 1 A 61.720 1
ATOM 94 H H . ASP 5 5 ? A 14.242 3.315 -14.396 1.000 1 A 61.720 1
ATOM 95 H HA . ASP 5 5 ? A 11.741 3.727 -13.279 1.000 1 A 61.720 1
ATOM 96 H HB2 . ASP 5 5 ? A 11.167 1.627 -14.314 1.000 1 A 61.720 1
ATOM 97 H HB3 . ASP 5 5 ? A 12.858 1.104 -14.317 1.000 1 A 61.720 1
ATOM 98 N N . ALA 6 6 ? A 13.519 1.632 -11.441 1.000 1 A 63.950 1
ATOM 99 C CA . ALA 6 6 ? A 13.569 0.997 -10.124 1.000 1 A 63.950 1
ATOM 100 C C . ALA 6 6 ? A 13.475 2.016 -8.974 1.000 1 A 63.950 1
ATOM 101 O O . ALA 6 6 ? A 12.893 1.717 -7.936 1.000 1 A 63.950 1
ATOM 102 C CB . ALA 6 6 ? A 14.858 0.172 -10.029 1.000 1 A 63.950 1
ATOM 103 H H . ALA 6 6 ? A 14.311 1.539 -12.061 1.000 1 A 63.950 1
ATOM 104 H HA . ALA 6 6 ? A 12.717 0.322 -10.029 1.000 1 A 63.950 1
ATOM 105 H HB1 . ALA 6 6 ? A 15.729 0.821 -10.117 1.000 1 A 63.950 1
ATOM 106 H HB2 . ALA 6 6 ? A 14.876 -0.577 -10.821 1.000 1 A 63.950 1
ATOM 107 H HB3 . ALA 6 6 ? A 14.887 -0.338 -9.066 1.000 1 A 63.950 1
ATOM 108 N N . TYR 7 7 ? A 14.024 3.222 -9.159 1.000 1 A 66.270 1
ATOM 109 C CA . TYR 7 7 ? A 13.945 4.289 -8.159 1.000 1 A 66.270 1
ATOM 110 C C . TYR 7 7 ? A 12.533 4.876 -8.076 1.000 1 A 66.270 1
ATOM 111 O O . TYR 7 7 ? A 11.992 5.022 -6.982 1.000 1 A 66.270 1
ATOM 112 C CB . TYR 7 7 ? A 14.977 5.375 -8.484 1.000 1 A 66.270 1
ATOM 113 C CG . TYR 7 7 ? A 14.929 6.547 -7.524 1.000 1 A 66.270 1
ATOM 114 C CD1 . TYR 7 7 ? A 14.229 7.719 -7.875 1.000 1 A 66.270 1
ATOM 115 C CD2 . TYR 7 7 ? A 15.540 6.444 -6.259 1.000 1 A 66.270 1
ATOM 116 C CE1 . TYR 7 7 ? A 14.153 8.791 -6.968 1.000 1 A 66.270 1
ATOM 117 C CE2 . TYR 7 7 ? A 15.462 7.514 -5.347 1.000 1 A 66.270 1
ATOM 118 C CZ . TYR 7 7 ? A 14.768 8.691 -5.703 1.000 1 A 66.270 1
ATOM 119 O OH . TYR 7 7 ? A 14.678 9.727 -4.827 1.000 1 A 66.270 1
ATOM 120 H H . TYR 7 7 ? A 14.412 3.441 -10.065 1.000 1 A 66.270 1
ATOM 121 H HA . TYR 7 7 ? A 14.178 3.876 -7.178 1.000 1 A 66.270 1
ATOM 122 H HB2 . TYR 7 7 ? A 14.807 5.742 -9.496 1.000 1 A 66.270 1
ATOM 123 H HB3 . TYR 7 7 ? A 15.975 4.937 -8.455 1.000 1 A 66.270 1
ATOM 124 H HD1 . TYR 7 7 ? A 13.726 7.790 -8.828 1.000 1 A 66.270 1
ATOM 125 H HD2 . TYR 7 7 ? A 16.053 5.535 -5.981 1.000 1 A 66.270 1
ATOM 126 H HE1 . TYR 7 7 ? A 13.611 9.686 -7.231 1.000 1 A 66.270 1
ATOM 127 H HE2 . TYR 7 7 ? A 15.922 7.427 -4.373 1.000 1 A 66.270 1
ATOM 128 H HH . TYR 7 7 ? A 15.144 9.542 -4.008 1.000 1 A 66.270 1
ATOM 129 N N . GLU 8 8 ? A 11.917 5.157 -9.226 1.000 1 A 67.190 1
ATOM 130 C CA . GLU 8 8 ? A 10.534 5.643 -9.306 1.000 1 A 67.190 1
ATOM 131 C C . GLU 8 8 ? A 9.557 4.609 -8.723 1.000 1 A 67.190 1
ATOM 132 O O . GLU 8 8 ? A 8.688 4.947 -7.918 1.000 1 A 67.190 1
ATOM 133 C CB . GLU 8 8 ? A 10.197 5.940 -10.776 1.000 1 A 67.190 1
ATOM 134 C CG . GLU 8 8 ? A 10.977 7.129 -11.365 1.000 1 A 67.190 1
ATOM 135 C CD . GLU 8 8 ? A 10.319 8.476 -11.042 1.000 1 A 67.190 1
ATOM 136 O OE1 . GLU 8 8 ? A 10.856 9.200 -10.169 1.000 1 A 67.190 1
ATOM 137 O OE2 . GLU 8 8 ? A 9.292 8.781 -11.681 1.000 1 A 67.190 1
ATOM 138 H H . GLU 8 8 ? A 12.415 5.024 -10.095 1.000 1 A 67.190 1
ATOM 139 H HA . GLU 8 8 ? A 10.427 6.562 -8.731 1.000 1 A 67.190 1
ATOM 140 H HB2 . GLU 8 8 ? A 10.425 5.054 -11.369 1.000 1 A 67.190 1
ATOM 141 H HB3 . GLU 8 8 ? A 9.128 6.131 -10.870 1.000 1 A 67.190 1
ATOM 142 H HG2 . GLU 8 8 ? A 11.012 7.009 -12.448 1.000 1 A 67.190 1
ATOM 143 H HG3 . GLU 8 8 ? A 12.009 7.118 -11.013 1.000 1 A 67.190 1
ATOM 144 N N . GLN 9 9 ? A 9.762 3.328 -9.041 1.000 1 A 61.370 1
ATOM 145 C CA . GLN 9 9 ? A 8.959 2.227 -8.522 1.000 1 A 61.370 1
ATOM 146 C C . GLN 9 9 ? A 9.155 2.046 -7.010 1.000 1 A 61.370 1
ATOM 147 O O . GLN 9 9 ? A 8.172 1.993 -6.276 1.000 1 A 61.370 1
ATOM 148 C CB . GLN 9 9 ? A 9.285 0.965 -9.332 1.000 1 A 61.370 1
ATOM 149 C CG . GLN 9 9 ? A 8.348 -0.199 -9.002 1.000 1 A 61.370 1
ATOM 150 C CD . GLN 9 9 ? A 8.521 -1.367 -9.967 1.000 1 A 61.370 1
ATOM 151 O OE1 . GLN 9 9 ? A 9.620 -1.799 -10.273 1.000 1 A 61.370 1
ATOM 152 N NE2 . GLN 9 9 ? A 7.448 -1.934 -10.474 1.000 1 A 61.370 1
ATOM 153 H H . GLN 9 9 ? A 10.464 3.112 -9.734 1.000 1 A 61.370 1
ATOM 154 H HA . GLN 9 9 ? A 7.909 2.474 -8.684 1.000 1 A 61.370 1
ATOM 155 H HB2 . GLN 9 9 ? A 10.317 0.665 -9.151 1.000 1 A 61.370 1
ATOM 156 H HB3 . GLN 9 9 ? A 9.170 1.195 -10.391 1.000 1 A 61.370 1
ATOM 157 H HG2 . GLN 9 9 ? A 7.315 0.147 -9.032 1.000 1 A 61.370 1
ATOM 158 H HG3 . GLN 9 9 ? A 8.574 -0.558 -7.997 1.000 1 A 61.370 1
ATOM 159 H HE21 . GLN 9 9 ? A 6.522 -1.612 -10.232 1.000 1 A 61.370 1
ATOM 160 H HE22 . GLN 9 9 ? A 7.610 -2.721 -11.085 1.000 1 A 61.370 1
ATOM 161 N N . ALA 10 10 ? A 10.394 2.032 -6.508 1.000 1 A 65.610 1
ATOM 162 C CA . ALA 10 10 ? A 10.664 1.948 -5.071 1.000 1 A 65.610 1
ATOM 163 C C . ALA 10 10 ? A 10.087 3.144 -4.298 1.000 1 A 65.610 1
ATOM 164 O O . ALA 10 10 ? A 9.587 2.976 -3.189 1.000 1 A 65.610 1
ATOM 165 C CB . ALA 10 10 ? A 12.176 1.835 -4.850 1.000 1 A 65.610 1
ATOM 166 H H . ALA 10 10 ? A 11.181 2.068 -7.140 1.000 1 A 65.610 1
ATOM 167 H HA . ALA 10 10 ? A 10.193 1.047 -4.679 1.000 1 A 65.610 1
ATOM 168 H HB1 . ALA 10 10 ? A 12.555 0.943 -5.349 1.000 1 A 65.610 1
ATOM 169 H HB2 . ALA 10 10 ? A 12.680 2.714 -5.251 1.000 1 A 65.610 1
ATOM 170 H HB3 . ALA 10 10 ? A 12.383 1.755 -3.783 1.000 1 A 65.610 1
ATOM 171 N N . LYS 11 11 ? A 10.099 4.346 -4.885 1.000 1 A 68.450 1
ATOM 172 C CA . LYS 11 11 ? A 9.463 5.535 -4.306 1.000 1 A 68.450 1
ATOM 173 C C . LYS 11 11 ? A 7.946 5.374 -4.229 1.000 1 A 68.450 1
ATOM 174 O O . LYS 11 11 ? A 7.376 5.673 -3.184 1.000 1 A 68.450 1
ATOM 175 C CB . LYS 11 11 ? A 9.880 6.759 -5.127 1.000 1 A 68.450 1
ATOM 176 C CG . LYS 11 11 ? A 9.359 8.076 -4.539 1.000 1 A 68.450 1
ATOM 177 C CD . LYS 11 11 ? A 9.807 9.232 -5.436 1.000 1 A 68.450 1
ATOM 178 C CE . LYS 11 11 ? A 9.253 10.563 -4.926 1.000 1 A 68.450 1
ATOM 179 N NZ . LYS 11 11 ? A 9.575 11.651 -5.880 1.000 1 A 68.450 1
ATOM 180 H H . LYS 11 11 ? A 10.560 4.434 -5.779 1.000 1 A 68.450 1
ATOM 181 H HA . LYS 11 11 ? A 9.819 5.657 -3.283 1.000 1 A 68.450 1
ATOM 182 H HB2 . LYS 11 11 ? A 10.968 6.802 -5.163 1.000 1 A 68.450 1
ATOM 183 H HB3 . LYS 11 11 ? A 9.511 6.652 -6.147 1.000 1 A 68.450 1
ATOM 184 H HG2 . LYS 11 11 ? A 8.270 8.059 -4.501 1.000 1 A 68.450 1
ATOM 185 H HG3 . LYS 11 11 ? A 9.755 8.213 -3.533 1.000 1 A 68.450 1
ATOM 186 H HD2 . LYS 11 11 ? A 10.896 9.268 -5.461 1.000 1 A 68.450 1
ATOM 187 H HD3 . LYS 11 11 ? A 9.441 9.052 -6.447 1.000 1 A 68.450 1
ATOM 188 H HE2 . LYS 11 11 ? A 9.674 10.772 -3.942 1.000 1 A 68.450 1
ATOM 189 H HE3 . LYS 11 11 ? A 8.173 10.468 -4.820 1.000 1 A 68.450 1
ATOM 190 H HZ1 . LYS 11 11 ? A 9.203 11.424 -6.792 1.000 1 A 68.450 1
ATOM 191 H HZ2 . LYS 11 11 ? A 10.574 11.751 -5.982 1.000 1 A 68.450 1
ATOM 192 H HZ3 . LYS 11 11 ? A 9.176 12.529 -5.581 1.000 1 A 68.450 1
ATOM 193 N N . ALA 12 12 ? A 7.307 4.865 -5.283 1.000 1 A 66.000 1
ATOM 194 C CA . ALA 12 12 ? A 5.877 4.564 -5.273 1.000 1 A 66.000 1
ATOM 195 C C . ALA 12 12 ? A 5.529 3.505 -4.212 1.000 1 A 66.000 1
ATOM 196 O O . ALA 12 12 ? A 4.606 3.719 -3.429 1.000 1 A 66.000 1
ATOM 197 C CB . ALA 12 12 ? A 5.446 4.136 -6.680 1.000 1 A 66.000 1
ATOM 198 H H . ALA 12 12 ? A 7.831 4.671 -6.124 1.000 1 A 66.000 1
ATOM 199 H HA . ALA 12 12 ? A 5.331 5.471 -5.014 1.000 1 A 66.000 1
ATOM 200 H HB1 . ALA 12 12 ? A 5.950 3.214 -6.970 1.000 1 A 66.000 1
ATOM 201 H HB2 . ALA 12 12 ? A 4.369 3.969 -6.695 1.000 1 A 66.000 1
ATOM 202 H HB3 . ALA 12 12 ? A 5.692 4.917 -7.399 1.000 1 A 66.000 1
ATOM 203 N N . TYR 13 13 ? A 6.315 2.426 -4.109 1.000 1 A 63.260 1
ATOM 204 C CA . TYR 13 13 ? A 6.156 1.410 -3.062 1.000 1 A 63.260 1
ATOM 205 C C . TYR 13 13 ? A 6.385 1.971 -1.658 1.000 1 A 63.260 1
ATOM 206 O O . TYR 13 13 ? A 5.662 1.604 -0.741 1.000 1 A 63.260 1
ATOM 207 C CB . TYR 13 13 ? A 7.097 0.222 -3.303 1.000 1 A 63.260 1
ATOM 208 C CG . TYR 13 13 ? A 6.530 -0.815 -4.251 1.000 1 A 63.260 1
ATOM 209 C CD1 . TYR 13 13 ? A 5.515 -1.686 -3.809 1.000 1 A 63.260 1
ATOM 210 C CD2 . TYR 13 13 ? A 7.016 -0.924 -5.565 1.000 1 A 63.260 1
ATOM 211 C CE1 . TYR 13 13 ? A 4.972 -2.644 -4.688 1.000 1 A 63.260 1
ATOM 212 C CE2 . TYR 13 13 ? A 6.467 -1.869 -6.450 1.000 1 A 63.260 1
ATOM 213 C CZ . TYR 13 13 ? A 5.442 -2.727 -6.016 1.000 1 A 63.260 1
ATOM 214 O OH . TYR 13 13 ? A 4.927 -3.634 -6.885 1.000 1 A 63.260 1
ATOM 215 H H . TYR 13 13 ? A 7.028 2.284 -4.810 1.000 1 A 63.260 1
ATOM 216 H HA . TYR 13 13 ? A 5.132 1.039 -3.088 1.000 1 A 63.260 1
ATOM 217 H HB2 . TYR 13 13 ? A 8.060 0.581 -3.665 1.000 1 A 63.260 1
ATOM 218 H HB3 . TYR 13 13 ? A 7.280 -0.279 -2.352 1.000 1 A 63.260 1
ATOM 219 H HD1 . TYR 13 13 ? A 5.145 -1.613 -2.798 1.000 1 A 63.260 1
ATOM 220 H HD2 . TYR 13 13 ? A 7.834 -0.297 -5.887 1.000 1 A 63.260 1
ATOM 221 H HE1 . TYR 13 13 ? A 4.187 -3.303 -4.347 1.000 1 A 63.260 1
ATOM 222 H HE2 . TYR 13 13 ? A 6.833 -1.975 -7.460 1.000 1 A 63.260 1
ATOM 223 H HH . TYR 13 13 ? A 4.229 -4.160 -6.487 1.000 1 A 63.260 1
ATOM 224 N N . ASN 14 14 ? A 7.347 2.875 -1.469 1.000 1 A 67.980 1
ATOM 225 C CA . ASN 14 14 ? A 7.601 3.482 -0.166 1.000 1 A 67.980 1
ATOM 226 C C . ASN 14 14 ? A 6.481 4.451 0.232 1.000 1 A 67.980 1
ATOM 227 O O . ASN 14 14 ? A 6.049 4.439 1.375 1.000 1 A 67.980 1
ATOM 228 C CB . ASN 14 14 ? A 8.978 4.162 -0.179 1.000 1 A 67.980 1
ATOM 229 C CG . ASN 14 14 ? A 9.453 4.505 1.222 1.000 1 A 67.980 1
ATOM 230 O OD1 . ASN 14 14 ? A 9.170 3.829 2.193 1.000 1 A 67.980 1
ATOM 231 N ND2 . ASN 14 14 ? A 10.235 5.548 1.375 1.000 1 A 67.980 1
ATOM 232 H H . ASN 14 14 ? A 7.970 3.088 -2.235 1.000 1 A 67.980 1
ATOM 233 H HA . ASN 14 14 ? A 7.616 2.688 0.580 1.000 1 A 67.980 1
ATOM 234 H HB2 . ASN 14 14 ? A 9.715 3.482 -0.605 1.000 1 A 67.980 1
ATOM 235 H HB3 . ASN 14 14 ? A 8.935 5.062 -0.792 1.000 1 A 67.980 1
ATOM 236 H HD21 . ASN 14 14 ? A 10.522 5.731 2.326 1.000 1 A 67.980 1
ATOM 237 H HD22 . ASN 14 14 ? A 10.498 6.121 0.586 1.000 1 A 67.980 1
ATOM 238 N N . ILE 15 15 ? A 5.955 5.246 -0.705 1.000 1 A 66.000 1
ATOM 239 C CA . ILE 15 15 ? A 4.781 6.098 -0.461 1.000 1 A 66.000 1
ATOM 240 C C . ILE 15 15 ? A 3.565 5.234 -0.115 1.000 1 A 66.000 1
ATOM 241 O O . ILE 15 15 ? A 2.856 5.538 0.839 1.000 1 A 66.000 1
ATOM 242 C CB . ILE 15 15 ? A 4.511 7.015 -1.675 1.000 1 A 66.000 1
ATOM 243 C CG1 . ILE 15 15 ? A 5.637 8.067 -1.802 1.000 1 A 66.000 1
ATOM 244 C CG2 . ILE 15 15 ? A 3.148 7.726 -1.552 1.000 1 A 66.000 1
ATOM 245 C CD1 . ILE 15 15 ? A 5.655 8.787 -3.157 1.000 1 A 66.000 1
ATOM 246 H H . ILE 15 15 ? A 6.347 5.218 -1.636 1.000 1 A 66.000 1
ATOM 247 H HA . ILE 15 15 ? A 4.975 6.726 0.409 1.000 1 A 66.000 1
ATOM 248 H HB . ILE 15 15 ? A 4.496 6.401 -2.576 1.000 1 A 66.000 1
ATOM 249 H HG12 . ILE 15 15 ? A 5.534 8.806 -1.008 1.000 1 A 66.000 1
ATOM 250 H HG13 . ILE 15 15 ? A 6.609 7.591 -1.675 1.000 1 A 66.000 1
ATOM 251 H HG21 . ILE 15 15 ? A 3.100 8.291 -0.621 1.000 1 A 66.000 1
ATOM 252 H HG22 . ILE 15 15 ? A 2.335 7.000 -1.565 1.000 1 A 66.000 1
ATOM 253 H HG23 . ILE 15 15 ? A 2.984 8.400 -2.392 1.000 1 A 66.000 1
ATOM 254 H HD11 . ILE 15 15 ? A 4.761 9.398 -3.282 1.000 1 A 66.000 1
ATOM 255 H HD12 . ILE 15 15 ? A 5.714 8.058 -3.965 1.000 1 A 66.000 1
ATOM 256 H HD13 . ILE 15 15 ? A 6.528 9.439 -3.203 1.000 1 A 66.000 1
ATOM 257 N N . LEU 16 16 ? A 3.360 4.133 -0.841 1.000 1 A 64.510 1
ATOM 258 C CA . LEU 16 16 ? A 2.326 3.143 -0.547 1.000 1 A 64.510 1
ATOM 259 C C . LEU 16 16 ? A 2.496 2.522 0.841 1.000 1 A 64.510 1
ATOM 260 O O . LEU 16 16 ? A 1.528 2.432 1.586 1.000 1 A 64.510 1
ATOM 261 C CB . LEU 16 16 ? A 2.380 2.050 -1.627 1.000 1 A 64.510 1
ATOM 262 C CG . LEU 16 16 ? A 1.544 2.385 -2.867 1.000 1 A 64.510 1
ATOM 263 C CD1 . LEU 16 16 ? A 1.912 1.466 -4.030 1.000 1 A 64.510 1
ATOM 264 C CD2 . LEU 16 16 ? A 0.070 2.165 -2.526 1.000 1 A 64.510 1
ATOM 265 H H . LEU 16 16 ? A 3.957 3.963 -1.638 1.000 1 A 64.510 1
ATOM 266 H HA . LEU 16 16 ? A 1.350 3.629 -0.552 1.000 1 A 64.510 1
ATOM 267 H HB2 . LEU 16 16 ? A 3.416 1.887 -1.924 1.000 1 A 64.510 1
ATOM 268 H HB3 . LEU 16 16 ? A 2.026 1.108 -1.208 1.000 1 A 64.510 1
ATOM 269 H HG . LEU 16 16 ? A 1.712 3.419 -3.171 1.000 1 A 64.510 1
ATOM 270 H HD11 . LEU 16 16 ? A 2.961 1.607 -4.294 1.000 1 A 64.510 1
ATOM 271 H HD12 . LEU 16 16 ? A 1.298 1.708 -4.897 1.000 1 A 64.510 1
ATOM 272 H HD13 . LEU 16 16 ? A 1.745 0.427 -3.749 1.000 1 A 64.510 1
ATOM 273 H HD21 . LEU 16 16 ? A -0.295 2.964 -1.880 1.000 1 A 64.510 1
ATOM 274 H HD22 . LEU 16 16 ? A -0.063 1.216 -2.008 1.000 1 A 64.510 1
ATOM 275 H HD23 . LEU 16 16 ? A -0.527 2.107 -3.436 1.000 1 A 64.510 1
ATOM 276 N N . ASN 17 17 ? A 3.719 2.140 1.206 1.000 1 A 65.700 1
ATOM 277 C CA . ASN 17 17 ? A 4.028 1.514 2.488 1.000 1 A 65.700 1
ATOM 278 C C . ASN 17 17 ? A 3.903 2.502 3.660 1.000 1 A 65.700 1
ATOM 279 O O . ASN 17 17 ? A 3.418 2.148 4.727 1.000 1 A 65.700 1
ATOM 280 C CB . ASN 17 17 ? A 5.434 0.906 2.394 1.000 1 A 65.700 1
ATOM 281 C CG . ASN 17 17 ? A 5.705 -0.059 3.530 1.000 1 A 65.700 1
ATOM 282 O OD1 . ASN 17 17 ? A 4.924 -0.942 3.828 1.000 1 A 65.700 1
ATOM 283 N ND2 . ASN 17 17 ? A 6.838 0.047 4.184 1.000 1 A 65.700 1
ATOM 284 H H . ASN 17 17 ? A 4.455 2.191 0.517 1.000 1 A 65.700 1
ATOM 285 H HA . ASN 17 17 ? A 3.316 0.706 2.659 1.000 1 A 65.700 1
ATOM 286 H HB2 . ASN 17 17 ? A 5.523 0.330 1.473 1.000 1 A 65.700 1
ATOM 287 H HB3 . ASN 17 17 ? A 6.180 1.701 2.387 1.000 1 A 65.700 1
ATOM 288 H HD21 . ASN 17 17 ? A 6.952 -0.596 4.954 1.000 1 A 65.700 1
ATOM 289 H HD22 . ASN 17 17 ? A 7.486 0.793 3.975 1.000 1 A 65.700 1
ATOM 290 N N . VAL 18 18 ? A 4.289 3.765 3.459 1.000 1 A 62.880 1
ATOM 291 C CA . VAL 18 18 ? A 4.096 4.845 4.438 1.000 1 A 62.880 1
ATOM 292 C C . VAL 18 18 ? A 2.613 5.187 4.583 1.000 1 A 62.880 1
ATOM 293 O O . VAL 18 18 ? A 2.151 5.392 5.702 1.000 1 A 62.880 1
ATOM 294 C CB . VAL 18 18 ? A 4.930 6.083 4.060 1.000 1 A 62.880 1
ATOM 295 C CG1 . VAL 18 18 ? A 4.610 7.303 4.935 1.000 1 A 62.880 1
ATOM 296 C CG2 . VAL 18 18 ? A 6.430 5.801 4.235 1.000 1 A 62.880 1
ATOM 297 H H . VAL 18 18 ? A 4.723 3.994 2.576 1.000 1 A 62.880 1
ATOM 298 H HA . VAL 18 18 ? A 4.434 4.499 5.415 1.000 1 A 62.880 1
ATOM 299 H HB . VAL 18 18 ? A 4.736 6.346 3.020 1.000 1 A 62.880 1
ATOM 300 H HG11 . VAL 18 18 ? A 5.287 8.123 4.695 1.000 1 A 62.880 1
ATOM 301 H HG12 . VAL 18 18 ? A 4.714 7.045 5.989 1.000 1 A 62.880 1
ATOM 302 H HG13 . VAL 18 18 ? A 3.590 7.643 4.752 1.000 1 A 62.880 1
ATOM 303 H HG21 . VAL 18 18 ? A 7.012 6.635 3.845 1.000 1 A 62.880 1
ATOM 304 H HG22 . VAL 18 18 ? A 6.724 4.896 3.703 1.000 1 A 62.880 1
ATOM 305 H HG23 . VAL 18 18 ? A 6.660 5.660 5.291 1.000 1 A 62.880 1
ATOM 306 N N . ALA 19 19 ? A 1.847 5.186 3.487 1.000 1 A 62.170 1
ATOM 307 C CA . ALA 19 19 ? A 0.393 5.294 3.556 1.000 1 A 62.170 1
ATOM 308 C C . ALA 19 19 ? A -0.207 4.107 4.329 1.000 1 A 62.170 1
ATOM 309 O O . ALA 19 19 ? A -1.085 4.325 5.150 1.000 1 A 62.170 1
ATOM 310 C CB . ALA 19 19 ? A -0.182 5.433 2.141 1.000 1 A 62.170 1
ATOM 311 H H . ALA 19 19 ? A 2.271 5.044 2.582 1.000 1 A 62.170 1
ATOM 312 H HA . ALA 19 19 ? A 0.140 6.195 4.114 1.000 1 A 62.170 1
ATOM 313 H HB1 . ALA 19 19 ? A 0.247 6.306 1.648 1.000 1 A 62.170 1
ATOM 314 H HB2 . ALA 19 19 ? A -1.264 5.553 2.200 1.000 1 A 62.170 1
ATOM 315 H HB3 . ALA 19 19 ? A 0.039 4.543 1.552 1.000 1 A 62.170 1
ATOM 316 N N . PHE 20 20 ? A 0.327 2.894 4.157 1.000 1 A 61.190 1
ATOM 317 C CA . PHE 20 20 ? A -0.036 1.693 4.924 1.000 1 A 61.190 1
ATOM 318 C C . PHE 20 20 ? A 0.302 1.780 6.425 1.000 1 A 61.190 1
ATOM 319 O O . PHE 20 20 ? A -0.367 1.147 7.238 1.000 1 A 61.190 1
ATOM 320 C CB . PHE 20 20 ? A 0.678 0.473 4.306 1.000 1 A 61.190 1
ATOM 321 C CG . PHE 20 20 ? A -0.246 -0.610 3.802 1.000 1 A 61.190 1
ATOM 322 C CD1 . PHE 20 20 ? A -0.881 -1.468 4.716 1.000 1 A 61.190 1
ATOM 323 C CD2 . PHE 20 20 ? A -0.456 -0.780 2.422 1.000 1 A 61.190 1
ATOM 324 C CE1 . PHE 20 20 ? A -1.741 -2.477 4.253 1.000 1 A 61.190 1
ATOM 325 C CE2 . PHE 20 20 ? A -1.312 -1.796 1.960 1.000 1 A 61.190 1
ATOM 326 C CZ . PHE 20 20 ? A -1.964 -2.637 2.875 1.000 1 A 61.190 1
ATOM 327 H H . PHE 20 20 ? A 0.997 2.776 3.410 1.000 1 A 61.190 1
ATOM 328 H HA . PHE 20 20 ? A -1.113 1.545 4.852 1.000 1 A 61.190 1
ATOM 329 H HB2 . PHE 20 20 ? A 1.348 0.026 5.041 1.000 1 A 61.190 1
ATOM 330 H HB3 . PHE 20 20 ? A 1.311 0.787 3.476 1.000 1 A 61.190 1
ATOM 331 H HD1 . PHE 20 20 ? A -0.738 -1.331 5.778 1.000 1 A 61.190 1
ATOM 332 H HD2 . PHE 20 20 ? A 0.051 -0.139 1.717 1.000 1 A 61.190 1
ATOM 333 H HE1 . PHE 20 20 ? A -2.261 -3.103 4.963 1.000 1 A 61.190 1
ATOM 334 H HE2 . PHE 20 20 ? A -1.451 -1.954 0.900 1.000 1 A 61.190 1
ATOM 335 H HZ . PHE 20 20 ? A -2.632 -3.407 2.519 1.000 1 A 61.190 1
ATOM 336 N N . LEU 21 21 ? A 1.350 2.527 6.798 1.000 1 A 59.340 1
ATOM 337 C CA . LEU 21 21 ? A 1.802 2.706 8.187 1.000 1 A 59.340 1
ATOM 338 C C . LEU 21 21 ? A 1.034 3.793 8.943 1.000 1 A 59.340 1
ATOM 339 O O . LEU 21 21 ? A 0.994 3.775 10.175 1.000 1 A 59.340 1
ATOM 340 C CB . LEU 21 21 ? A 3.303 3.041 8.194 1.000 1 A 59.340 1
ATOM 341 C CG . LEU 21 21 ? A 4.211 1.813 8.031 1.000 1 A 59.340 1
ATOM 342 C CD1 . LEU 21 21 ? A 5.629 2.273 7.685 1.000 1 A 59.340 1
ATOM 343 C CD2 . LEU 21 21 ? A 4.283 0.993 9.323 1.000 1 A 59.340 1
ATOM 344 H H . LEU 21 21 ? A 1.905 2.936 6.060 1.000 1 A 59.340 1
ATOM 345 H HA . LEU 21 21 ? A 1.629 1.780 8.735 1.000 1 A 59.340 1
ATOM 346 H HB2 . LEU 21 21 ? A 3.560 3.529 9.135 1.000 1 A 59.340 1
ATOM 347 H HB3 . LEU 21 21 ? A 3.503 3.755 7.396 1.000 1 A 59.340 1
ATOM 348 H HG . LEU 21 21 ? A 3.844 1.179 7.225 1.000 1 A 59.340 1
ATOM 349 H HD11 . LEU 21 21 ? A 5.614 2.806 6.735 1.000 1 A 59.340 1
ATOM 350 H HD12 . LEU 21 21 ? A 6.278 1.403 7.582 1.000 1 A 59.340 1
ATOM 351 H HD13 . LEU 21 21 ? A 6.012 2.926 8.469 1.000 1 A 59.340 1
ATOM 352 H HD21 . LEU 21 21 ? A 3.294 0.609 9.575 1.000 1 A 59.340 1
ATOM 353 H HD22 . LEU 21 21 ? A 4.645 1.608 10.146 1.000 1 A 59.340 1
ATOM 354 H HD23 . LEU 21 21 ? A 4.952 0.145 9.180 1.000 1 A 59.340 1
ATOM 355 N N . LEU 22 22 ? A 0.426 4.742 8.232 1.000 1 A 62.250 1
ATOM 356 C CA . LEU 22 22 ? A -0.607 5.577 8.832 1.000 1 A 62.250 1
ATOM 357 C C . LEU 22 22 ? A -1.803 4.671 9.154 1.000 1 A 62.250 1
ATOM 358 O O . LEU 22 22 ? A -2.047 3.729 8.405 1.000 1 A 62.250 1
ATOM 359 C CB . LEU 22 22 ? A -0.967 6.732 7.883 1.000 1 A 62.250 1
ATOM 360 C CG . LEU 22 22 ? A 0.165 7.768 7.746 1.000 1 A 62.250 1
ATOM 361 C CD1 . LEU 22 22 ? A -0.145 8.729 6.597 1.000 1 A 62.250 1
ATOM 362 C CD2 . LEU 22 22 ? A 0.337 8.596 9.025 1.000 1 A 62.250 1
ATOM 363 H H . LEU 22 22 ? A 0.475 4.681 7.225 1.000 1 A 62.250 1
ATOM 364 H HA . LEU 22 22 ? A -0.219 5.978 9.768 1.000 1 A 62.250 1
ATOM 365 H HB2 . LEU 22 22 ? A -1.195 6.314 6.902 1.000 1 A 62.250 1
ATOM 366 H HB3 . LEU 22 22 ? A -1.864 7.232 8.248 1.000 1 A 62.250 1
ATOM 367 H HG . LEU 22 22 ? A 1.107 7.268 7.521 1.000 1 A 62.250 1
ATOM 368 H HD11 . LEU 22 22 ? A -0.229 8.162 5.670 1.000 1 A 62.250 1
ATOM 369 H HD12 . LEU 22 22 ? A 0.665 9.451 6.492 1.000 1 A 62.250 1
ATOM 370 H HD13 . LEU 22 22 ? A -1.081 9.252 6.788 1.000 1 A 62.250 1
ATOM 371 H HD21 . LEU 22 22 ? A 1.104 9.355 8.867 1.000 1 A 62.250 1
ATOM 372 H HD22 . LEU 22 22 ? A 0.662 7.956 9.845 1.000 1 A 62.250 1
ATOM 373 H HD23 . LEU 22 22 ? A -0.602 9.082 9.289 1.000 1 A 62.250 1
ATOM 374 N N . PRO 23 23 ? A -2.559 4.914 10.239 1.000 1 A 59.890 1
ATOM 375 C CA . PRO 23 23 ? A -3.732 4.122 10.596 1.000 1 A 59.890 1
ATOM 376 C C . PRO 23 23 ? A -4.874 4.374 9.597 1.000 1 A 59.890 1
ATOM 377 O O . PRO 23 23 ? A -5.920 4.920 9.927 1.000 1 A 59.890 1
ATOM 378 C CB . PRO 23 23 ? A -4.047 4.508 12.047 1.000 1 A 59.890 1
ATOM 379 C CG . PRO 23 23 ? A -3.559 5.953 12.128 1.000 1 A 59.890 1
ATOM 380 C CD . PRO 23 23 ? A -2.332 5.959 11.220 1.000 1 A 59.890 1
ATOM 381 H HA . PRO 23 23 ? A -3.481 3.061 10.561 1.000 1 A 59.890 1
ATOM 382 H HB2 . PRO 23 23 ? A -5.104 4.413 12.295 1.000 1 A 59.890 1
ATOM 383 H HB3 . PRO 23 23 ? A -3.451 3.890 12.718 1.000 1 A 59.890 1
ATOM 384 H HG2 . PRO 23 23 ? A -3.307 6.239 13.149 1.000 1 A 59.890 1
ATOM 385 H HG3 . PRO 23 23 ? A -4.320 6.618 11.719 1.000 1 A 59.890 1
ATOM 386 H HD2 . PRO 23 23 ? A -1.444 5.717 11.804 1.000 1 A 59.890 1
ATOM 387 H HD3 . PRO 23 23 ? A -2.219 6.935 10.747 1.000 1 A 59.890 1
ATOM 388 N N . VAL 24 24 ? A -4.669 3.970 8.347 1.000 1 A 58.780 1
ATOM 389 C CA . VAL 24 24 ? A -5.641 3.905 7.257 1.000 1 A 58.780 1
ATOM 390 C C . VAL 24 24 ? A -6.802 3.007 7.673 1.000 1 A 58.780 1
ATOM 391 O O . VAL 24 24 ? A -7.939 3.317 7.350 1.000 1 A 58.780 1
ATOM 392 C CB . VAL 24 24 ? A -4.890 3.407 6.004 1.000 1 A 58.780 1
ATOM 393 C CG1 . VAL 24 24 ? A -5.732 2.908 4.836 1.000 1 A 58.780 1
ATOM 394 C CG2 . VAL 24 24 ? A -4.038 4.558 5.459 1.000 1 A 58.780 1
ATOM 395 H H . VAL 24 24 ? A -3.756 3.591 8.143 1.000 1 A 58.780 1
ATOM 396 H HA . VAL 24 24 ? A -6.050 4.897 7.064 1.000 1 A 58.780 1
ATOM 397 H HB . VAL 24 24 ? A -4.234 2.587 6.298 1.000 1 A 58.780 1
ATOM 398 H HG11 . VAL 24 24 ? A -6.515 2.230 5.177 1.000 1 A 58.780 1
ATOM 399 H HG12 . VAL 24 24 ? A -5.089 2.348 4.156 1.000 1 A 58.780 1
ATOM 400 H HG13 . VAL 24 24 ? A -6.150 3.749 4.284 1.000 1 A 58.780 1
ATOM 401 H HG21 . VAL 24 24 ? A -3.508 4.225 4.567 1.000 1 A 58.780 1
ATOM 402 H HG22 . VAL 24 24 ? A -4.665 5.411 5.199 1.000 1 A 58.780 1
ATOM 403 H HG23 . VAL 24 24 ? A -3.309 4.870 6.208 1.000 1 A 58.780 1
ATOM 404 N N . MET 25 25 ? A -6.547 2.011 8.528 1.000 1 A 57.660 1
ATOM 405 C CA . MET 25 25 ? A -7.571 1.218 9.218 1.000 1 A 57.660 1
ATOM 406 C C . MET 25 25 ? A -8.507 2.033 10.127 1.000 1 A 57.660 1
ATOM 407 O O . MET 25 25 ? A -9.625 1.603 10.392 1.000 1 A 57.660 1
ATOM 408 C CB . MET 25 25 ? A -6.870 0.142 10.061 1.000 1 A 57.660 1
ATOM 409 C CG . MET 25 25 ? A -6.358 -1.020 9.213 1.000 1 A 57.660 1
ATOM 410 S SD . MET 25 25 ? A -7.712 -1.931 8.431 1.000 1 A 57.660 1
ATOM 411 C CE . MET 25 25 ? A -6.919 -3.543 8.245 1.000 1 A 57.660 1
ATOM 412 H H . MET 25 25 ? A -5.579 1.773 8.694 1.000 1 A 57.660 1
ATOM 413 H HA . MET 25 25 ? A -8.205 0.739 8.473 1.000 1 A 57.660 1
ATOM 414 H HB2 . MET 25 25 ? A -6.042 0.585 10.615 1.000 1 A 57.660 1
ATOM 415 H HB3 . MET 25 25 ? A -7.578 -0.267 10.783 1.000 1 A 57.660 1
ATOM 416 H HG2 . MET 25 25 ? A -5.812 -1.700 9.866 1.000 1 A 57.660 1
ATOM 417 H HG3 . MET 25 25 ? A -5.676 -0.662 8.441 1.000 1 A 57.660 1
ATOM 418 H HE1 . MET 25 25 ? A -7.250 -4.198 9.051 1.000 1 A 57.660 1
ATOM 419 H HE2 . MET 25 25 ? A -5.837 -3.435 8.315 1.000 1 A 57.660 1
ATOM 420 H HE3 . MET 25 25 ? A -7.201 -3.990 7.292 1.000 1 A 57.660 1
ATOM 421 N N . ALA 26 26 ? A -8.083 3.205 10.609 1.000 1 A 64.910 1
ATOM 422 C CA . ALA 26 26 ? A -8.939 4.102 11.388 1.000 1 A 64.910 1
ATOM 423 C C . ALA 26 26 ? A -9.725 5.085 10.506 1.000 1 A 64.910 1
ATOM 424 O O . ALA 26 26 ? A -10.652 5.737 10.988 1.000 1 A 64.910 1
ATOM 425 C CB . ALA 26 26 ? A -8.084 4.832 12.431 1.000 1 A 64.910 1
ATOM 426 H H . ALA 26 26 ? A -7.177 3.553 10.328 1.000 1 A 64.910 1
ATOM 427 H HA . ALA 26 26 ? A -9.676 3.506 11.926 1.000 1 A 64.910 1
ATOM 428 H HB1 . ALA 26 26 ? A -8.734 5.410 13.088 1.000 1 A 64.910 1
ATOM 429 H HB2 . ALA 26 26 ? A -7.533 4.107 13.031 1.000 1 A 64.910 1
ATOM 430 H HB3 . ALA 26 26 ? A -7.388 5.513 11.942 1.000 1 A 64.910 1
ATOM 431 N N . LEU 27 27 ? A -9.367 5.212 9.223 1.000 1 A 64.660 1
ATOM 432 C CA . LEU 27 27 ? A -10.040 6.105 8.293 1.000 1 A 64.660 1
ATOM 433 C C . LEU 27 27 ? A -11.075 5.326 7.477 1.000 1 A 64.660 1
ATOM 434 O O . LEU 27 27 ? A -10.747 4.313 6.859 1.000 1 A 64.660 1
ATOM 435 C CB . LEU 27 27 ? A -9.020 6.826 7.401 1.000 1 A 64.660 1
ATOM 436 C CG . LEU 27 27 ? A -8.158 7.859 8.151 1.000 1 A 64.660 1
ATOM 437 C CD1 . LEU 27 27 ? A -7.086 8.402 7.206 1.000 1 A 64.660 1
ATOM 438 C CD2 . LEU 27 27 ? A -8.979 9.050 8.657 1.000 1 A 64.660 1
ATOM 439 H H . LEU 27 27 ? A -8.690 4.566 8.843 1.000 1 A 64.660 1
ATOM 440 H HA . LEU 27 27 ? A -10.561 6.862 8.881 1.000 1 A 64.660 1
ATOM 441 H HB2 . LEU 27 27 ? A -8.370 6.074 6.953 1.000 1 A 64.660 1
ATOM 442 H HB3 . LEU 27 27 ? A -9.551 7.332 6.595 1.000 1 A 64.660 1
ATOM 443 H HG . LEU 27 27 ? A -7.661 7.383 8.997 1.000 1 A 64.660 1
ATOM 444 H HD11 . LEU 27 27 ? A -6.460 7.580 6.859 1.000 1 A 64.660 1
ATOM 445 H HD12 . LEU 27 27 ? A -7.550 8.891 6.349 1.000 1 A 64.660 1
ATOM 446 H HD13 . LEU 27 27 ? A -6.455 9.116 7.736 1.000 1 A 64.660 1
ATOM 447 H HD21 . LEU 27 27 ? A -9.676 8.727 9.430 1.000 1 A 64.660 1
ATOM 448 H HD22 . LEU 27 27 ? A -9.527 9.506 7.833 1.000 1 A 64.660 1
ATOM 449 H HD23 . LEU 27 27 ? A -8.313 9.791 9.100 1.000 1 A 64.660 1
ATOM 450 N N . PRO 28 28 ? A -12.332 5.797 7.409 1.000 1 A 71.120 1
ATOM 451 C CA . PRO 28 28 ? A -13.319 5.165 6.553 1.000 1 A 71.120 1
ATOM 452 C C . PRO 28 28 ? A -12.820 5.184 5.106 1.000 1 A 71.120 1
ATOM 453 O O . PRO 28 28 ? A -12.248 6.175 4.645 1.000 1 A 71.120 1
ATOM 454 C CB . PRO 28 28 ? A -14.619 5.948 6.763 1.000 1 A 71.120 1
ATOM 455 C CG . PRO 28 28 ? A -14.148 7.313 7.263 1.000 1 A 71.120 1
ATOM 456 C CD . PRO 28 28 ? A -12.861 7.004 8.021 1.000 1 A 71.120 1
ATOM 457 H HA . PRO 28 28 ? A -13.464 4.132 6.869 1.000 1 A 71.120 1
ATOM 458 H HB2 . PRO 28 28 ? A -15.204 6.034 5.847 1.000 1 A 71.120 1
ATOM 459 H HB3 . PRO 28 28 ? A -15.208 5.464 7.542 1.000 1 A 71.120 1
ATOM 460 H HG2 . PRO 28 28 ? A -14.890 7.793 7.901 1.000 1 A 71.120 1
ATOM 461 H HG3 . PRO 28 28 ? A -13.919 7.939 6.401 1.000 1 A 71.120 1
ATOM 462 H HD2 . PRO 28 28 ? A -13.080 6.811 9.071 1.000 1 A 71.120 1
ATOM 463 H HD3 . PRO 28 28 ? A -12.173 7.844 7.924 1.000 1 A 71.120 1
ATOM 464 N N . LYS 29 29 ? A -13.078 4.104 4.365 1.000 1 A 71.080 1
ATOM 465 C CA . LYS 29 29 ? A -12.761 3.975 2.931 1.000 1 A 71.080 1
ATOM 466 C C . LYS 29 29 ? A -13.160 5.208 2.112 1.000 1 A 71.080 1
ATOM 467 O O . LYS 29 29 ? A -12.454 5.586 1.187 1.000 1 A 71.080 1
ATOM 468 C CB . LYS 29 29 ? A -13.417 2.697 2.386 1.000 1 A 71.080 1
ATOM 469 C CG . LYS 29 29 ? A -14.953 2.754 2.451 1.000 1 A 71.080 1
ATOM 470 C CD . LYS 29 29 ? A -15.595 1.422 2.071 1.000 1 A 71.080 1
ATOM 471 C CE . LYS 29 29 ? A -17.112 1.589 2.201 1.000 1 A 71.080 1
ATOM 472 N NZ . LYS 29 29 ? A -17.823 0.320 1.916 1.000 1 A 71.080 1
ATOM 473 H H . LYS 29 29 ? A -13.453 3.299 4.847 1.000 1 A 71.080 1
ATOM 474 H HA . LYS 29 29 ? A -11.681 3.875 2.824 1.000 1 A 71.080 1
ATOM 475 H HB2 . LYS 29 29 ? A -13.107 2.553 1.351 1.000 1 A 71.080 1
ATOM 476 H HB3 . LYS 29 29 ? A -13.059 1.846 2.966 1.000 1 A 71.080 1
ATOM 477 H HG2 . LYS 29 29 ? A -15.316 3.516 1.762 1.000 1 A 71.080 1
ATOM 478 H HG3 . LYS 29 29 ? A -15.273 3.013 3.460 1.000 1 A 71.080 1
ATOM 479 H HD2 . LYS 29 29 ? A -15.243 0.645 2.750 1.000 1 A 71.080 1
ATOM 480 H HD3 . LYS 29 29 ? A -15.326 1.166 1.047 1.000 1 A 71.080 1
ATOM 481 H HE2 . LYS 29 29 ? A -17.339 1.932 3.210 1.000 1 A 71.080 1
ATOM 482 H HE3 . LYS 29 29 ? A -17.436 2.376 1.520 1.000 1 A 71.080 1
ATOM 483 H HZ1 . LYS 29 29 ? A -18.819 0.456 2.014 1.000 1 A 71.080 1
ATOM 484 H HZ2 . LYS 29 29 ? A -17.532 -0.396 2.568 1.000 1 A 71.080 1
ATOM 485 H HZ3 . LYS 29 29 ? A -17.626 0.007 0.976 1.000 1 A 71.080 1
ATOM 486 N N . ASP 30 30 ? A -14.245 5.878 2.489 1.000 1 A 73.630 1
ATOM 487 C CA . ASP 30 30 ? A -14.725 7.106 1.857 1.000 1 A 73.630 1
ATOM 488 C C . ASP 30 30 ? A -13.792 8.305 2.082 1.000 1 A 73.630 1
ATOM 489 O O . ASP 30 30 ? A -13.649 9.145 1.198 1.000 1 A 73.630 1
ATOM 490 C CB . ASP 30 30 ? A -16.125 7.404 2.403 1.000 1 A 73.630 1
ATOM 491 C CG . ASP 30 30 ? A -17.054 6.218 2.148 1.000 1 A 73.630 1
ATOM 492 O OD1 . ASP 30 30 ? A -17.535 6.101 1.002 1.000 1 A 73.630 1
ATOM 493 O OD2 . ASP 30 30 ? A -17.185 5.383 3.072 1.000 1 A 73.630 1
ATOM 494 H H . ASP 30 30 ? A -14.836 5.463 3.195 1.000 1 A 73.630 1
ATOM 495 H HA . ASP 30 30 ? A -14.806 6.943 0.783 1.000 1 A 73.630 1
ATOM 496 H HB2 . ASP 30 30 ? A -16.522 8.292 1.911 1.000 1 A 73.630 1
ATOM 497 H HB3 . ASP 30 30 ? A -16.065 7.603 3.473 1.000 1 A 73.630 1
ATOM 498 N N . MET 31 31 ? A -13.120 8.388 3.235 1.000 1 A 74.200 1
ATOM 499 C CA . MET 31 31 ? A -12.038 9.353 3.459 1.000 1 A 74.200 1
ATOM 500 C C . MET 31 31 ? A -10.777 8.957 2.698 1.000 1 A 74.200 1
ATOM 501 O O . MET 31 31 ? A -10.136 9.819 2.101 1.000 1 A 74.200 1
ATOM 502 C CB . MET 31 31 ? A -11.708 9.505 4.950 1.000 1 A 74.200 1
ATOM 503 C CG . MET 31 31 ? A -12.673 10.458 5.654 1.000 1 A 74.200 1
ATOM 504 S SD . MET 31 31 ? A -12.086 10.920 7.302 1.000 1 A 74.200 1
ATOM 505 C CE . MET 31 31 ? A -13.343 12.134 7.775 1.000 1 A 74.200 1
ATOM 506 H H . MET 31 31 ? A -13.200 7.618 3.884 1.000 1 A 74.200 1
ATOM 507 H HA . MET 31 31 ? A -12.340 10.326 3.071 1.000 1 A 74.200 1
ATOM 508 H HB2 . MET 31 31 ? A -11.699 8.538 5.452 1.000 1 A 74.200 1
ATOM 509 H HB3 . MET 31 31 ? A -10.710 9.934 5.037 1.000 1 A 74.200 1
ATOM 510 H HG2 . MET 31 31 ? A -12.760 11.368 5.060 1.000 1 A 74.200 1
ATOM 511 H HG3 . MET 31 31 ? A -13.660 10.001 5.729 1.000 1 A 74.200 1
ATOM 512 H HE1 . MET 31 31 ? A -13.537 12.811 6.943 1.000 1 A 74.200 1
ATOM 513 H HE2 . MET 31 31 ? A -12.984 12.706 8.630 1.000 1 A 74.200 1
ATOM 514 H HE3 . MET 31 31 ? A -14.262 11.615 8.051 1.000 1 A 74.200 1
ATOM 515 N N . LEU 32 32 ? A -10.449 7.666 2.649 1.000 1 A 72.470 1
ATOM 516 C CA . LEU 32 32 ? A -9.299 7.188 1.881 1.000 1 A 72.470 1
ATOM 517 C C . LEU 32 32 ? A -9.450 7.493 0.393 1.000 1 A 72.470 1
ATOM 518 O O . LEU 32 32 ? A -8.507 7.980 -0.211 1.000 1 A 72.470 1
ATOM 519 C CB . LEU 32 32 ? A -9.092 5.688 2.119 1.000 1 A 72.470 1
ATOM 520 C CG . LEU 32 32 ? A -8.763 5.340 3.577 1.000 1 A 72.470 1
ATOM 521 C CD1 . LEU 32 32 ? A -8.717 3.821 3.704 1.000 1 A 72.470 1
ATOM 522 C CD2 . LEU 32 32 ? A -7.437 5.980 4.003 1.000 1 A 72.470 1
ATOM 523 H H . LEU 32 32 ? A -11.001 7.004 3.175 1.000 1 A 72.470 1
ATOM 524 H HA . LEU 32 32 ? A -8.411 7.728 2.209 1.000 1 A 72.470 1
ATOM 525 H HB2 . LEU 32 32 ? A -8.273 5.345 1.487 1.000 1 A 72.470 1
ATOM 526 H HB3 . LEU 32 32 ? A -9.990 5.150 1.815 1.000 1 A 72.470 1
ATOM 527 H HG . LEU 32 32 ? A -9.552 5.707 4.233 1.000 1 A 72.470 1
ATOM 528 H HD11 . LEU 32 32 ? A -8.498 3.554 4.737 1.000 1 A 72.470 1
ATOM 529 H HD12 . LEU 32 32 ? A -9.687 3.387 3.461 1.000 1 A 72.470 1
ATOM 530 H HD13 . LEU 32 32 ? A -7.966 3.398 3.037 1.000 1 A 72.470 1
ATOM 531 H HD21 . LEU 32 32 ? A -7.175 5.618 4.997 1.000 1 A 72.470 1
ATOM 532 H HD22 . LEU 32 32 ? A -7.540 7.063 4.068 1.000 1 A 72.470 1
ATOM 533 H HD23 . LEU 32 32 ? A -6.647 5.725 3.297 1.000 1 A 72.470 1
ATOM 534 N N . LEU 33 33 ? A -10.642 7.312 -0.178 1.000 1 A 75.970 1
ATOM 535 C CA . LEU 33 33 ? A -10.947 7.650 -1.573 1.000 1 A 75.970 1
ATOM 536 C C . LEU 33 33 ? A -10.947 9.159 -1.861 1.000 1 A 75.970 1
ATOM 537 O O . LEU 33 33 ? A -10.887 9.552 -3.024 1.000 1 A 75.970 1
ATOM 538 C CB . LEU 33 33 ? A -12.315 7.043 -1.935 1.000 1 A 75.970 1
ATOM 539 C CG . LEU 33 33 ? A -12.322 5.511 -2.063 1.000 1 A 75.970 1
ATOM 540 C CD1 . LEU 33 33 ? A -13.761 5.003 -2.164 1.000 1 A 75.970 1
ATOM 541 C CD2 . LEU 33 33 ? A -11.572 5.039 -3.310 1.000 1 A 75.970 1
ATOM 542 H H . LEU 33 33 ? A -11.361 6.868 0.374 1.000 1 A 75.970 1
ATOM 543 H HA . LEU 33 33 ? A -10.173 7.233 -2.218 1.000 1 A 75.970 1
ATOM 544 H HB2 . LEU 33 33 ? A -13.035 7.342 -1.173 1.000 1 A 75.970 1
ATOM 545 H HB3 . LEU 33 33 ? A -12.650 7.465 -2.883 1.000 1 A 75.970 1
ATOM 546 H HG . LEU 33 33 ? A -11.856 5.058 -1.188 1.000 1 A 75.970 1
ATOM 547 H HD11 . LEU 33 33 ? A -13.763 3.915 -2.240 1.000 1 A 75.970 1
ATOM 548 H HD12 . LEU 33 33 ? A -14.255 5.436 -3.034 1.000 1 A 75.970 1
ATOM 549 H HD13 . LEU 33 33 ? A -14.307 5.287 -1.265 1.000 1 A 75.970 1
ATOM 550 H HD21 . LEU 33 33 ? A -11.587 3.950 -3.358 1.000 1 A 75.970 1
ATOM 551 H HD22 . LEU 33 33 ? A -12.036 5.458 -4.203 1.000 1 A 75.970 1
ATOM 552 H HD23 . LEU 33 33 ? A -10.535 5.371 -3.262 1.000 1 A 75.970 1
ATOM 553 N N . ARG 34 34 ? A -11.035 10.007 -0.827 1.000 1 A 77.160 1
ATOM 554 C CA . ARG 34 34 ? A -10.912 11.469 -0.961 1.000 1 A 77.160 1
ATOM 555 C C . ARG 34 34 ? A -9.462 11.937 -0.930 1.000 1 A 77.160 1
ATOM 556 O O . ARG 34 34 ? A -9.150 12.957 -1.533 1.000 1 A 77.160 1
ATOM 557 C CB . ARG 34 34 ? A -11.699 12.173 0.151 1.000 1 A 77.160 1
ATOM 558 C CG . ARG 34 34 ? A -13.211 12.124 -0.077 1.000 1 A 77.160 1
ATOM 559 C CD . ARG 34 34 ? A -13.919 12.675 1.163 1.000 1 A 77.160 1
ATOM 560 N NE . ARG 34 34 ? A -15.382 12.577 1.039 1.000 1 A 77.160 1
ATOM 561 C CZ . ARG 34 34 ? A -16.277 13.263 1.727 1.000 1 A 77.160 1
ATOM 562 N NH1 . ARG 34 34 ? A -15.933 14.159 2.612 1.000 1 A 77.160 1
ATOM 563 N NH2 . ARG 34 34 ? A -17.550 13.055 1.540 1.000 1 A 77.160 1
ATOM 564 H H . ARG 34 34 ? A -11.102 9.609 0.098 1.000 1 A 77.160 1
ATOM 565 H HA . ARG 34 34 ? A -11.295 11.783 -1.932 1.000 1 A 77.160 1
ATOM 566 H HB2 . ARG 34 34 ? A -11.454 11.722 1.112 1.000 1 A 77.160 1
ATOM 567 H HB3 . ARG 34 34 ? A -11.399 13.221 0.189 1.000 1 A 77.160 1
ATOM 568 H HG2 . ARG 34 34 ? A -13.533 11.101 -0.272 1.000 1 A 77.160 1
ATOM 569 H HG3 . ARG 34 34 ? A -13.462 12.734 -0.945 1.000 1 A 77.160 1
ATOM 570 H HD2 . ARG 34 34 ? A -13.600 12.098 2.032 1.000 1 A 77.160 1
ATOM 571 H HD3 . ARG 34 34 ? A -13.617 13.714 1.297 1.000 1 A 77.160 1
ATOM 572 H HE . ARG 34 34 ? A -15.723 11.863 0.411 1.000 1 A 77.160 1
ATOM 573 H HH11 . ARG 34 34 ? A -16.631 14.677 3.126 1.000 1 A 77.160 1
ATOM 574 H HH12 . ARG 34 34 ? A -14.949 14.322 2.770 1.000 1 A 77.160 1
ATOM 575 H HH21 . ARG 34 34 ? A -17.851 12.346 0.886 1.000 1 A 77.160 1
ATOM 576 H HH22 . ARG 34 34 ? A -18.236 13.567 2.076 1.000 1 A 77.160 1
ATOM 577 N N . ILE 35 35 ? A -8.609 11.230 -0.194 1.000 1 A 73.510 1
ATOM 578 C CA . ILE 35 35 ? A -7.205 11.604 0.020 1.000 1 A 73.510 1
ATOM 579 C C . ILE 35 35 ? A -6.310 10.926 -1.017 1.000 1 A 73.510 1
ATOM 580 O O . ILE 35 35 ? A -5.389 11.538 -1.554 1.000 1 A 73.510 1
ATOM 581 C CB . ILE 35 35 ? A -6.788 11.234 1.462 1.000 1 A 73.510 1
ATOM 582 C CG1 . ILE 35 35 ? A -7.636 12.010 2.500 1.000 1 A 73.510 1
ATOM 583 C CG2 . ILE 35 35 ? A -5.293 11.526 1.693 1.000 1 A 73.510 1
ATOM 584 C CD1 . ILE 35 35 ? A -7.557 11.423 3.915 1.000 1 A 73.510 1
ATOM 585 H H . ILE 35 35 ? A -8.970 10.424 0.295 1.000 1 A 73.510 1
ATOM 586 H HA . ILE 35 35 ? A -7.087 12.680 -0.107 1.000 1 A 73.510 1
ATOM 587 H HB . ILE 35 35 ? A -6.956 10.167 1.603 1.000 1 A 73.510 1
ATOM 588 H HG12 . ILE 35 35 ? A -7.314 13.051 2.526 1.000 1 A 73.510 1
ATOM 589 H HG13 . ILE 35 35 ? A -8.688 12.005 2.215 1.000 1 A 73.510 1
ATOM 590 H HG21 . ILE 35 35 ? A -4.677 10.921 1.028 1.000 1 A 73.510 1
ATOM 591 H HG22 . ILE 35 35 ? A -5.004 11.268 2.712 1.000 1 A 73.510 1
ATOM 592 H HG23 . ILE 35 35 ? A -5.081 12.580 1.512 1.000 1 A 73.510 1
ATOM 593 H HD11 . ILE 35 35 ? A -8.236 11.971 4.568 1.000 1 A 73.510 1
ATOM 594 H HD12 . ILE 35 35 ? A -6.547 11.509 4.315 1.000 1 A 73.510 1
ATOM 595 H HD13 . ILE 35 35 ? A -7.855 10.375 3.900 1.000 1 A 73.510 1
ATOM 596 N N . PHE 36 36 ? A -6.591 9.659 -1.301 1.000 1 A 73.240 1
ATOM 597 C CA . PHE 36 36 ? A -5.804 8.818 -2.176 1.000 1 A 73.240 1
ATOM 598 C C . PHE 36 36 ? A -6.546 8.530 -3.482 1.000 1 A 73.240 1
ATOM 599 O O . PHE 36 36 ? A -7.773 8.396 -3.495 1.000 1 A 73.240 1
ATOM 600 C CB . PHE 36 36 ? A -5.430 7.521 -1.459 1.000 1 A 73.240 1
ATOM 601 C CG . PHE 36 36 ? A -4.574 7.731 -0.230 1.000 1 A 73.240 1
ATOM 602 C CD1 . PHE 36 36 ? A -3.214 8.064 -0.369 1.000 1 A 73.240 1
ATOM 603 C CD2 . PHE 36 36 ? A -5.135 7.606 1.054 1.000 1 A 73.240 1
ATOM 604 C CE1 . PHE 36 36 ? A -2.406 8.227 0.767 1.000 1 A 73.240 1
ATOM 605 C CE2 . PHE 36 36 ? A -4.331 7.790 2.193 1.000 1 A 73.240 1
ATOM 606 C CZ . PHE 36 36 ? A -2.965 8.090 2.049 1.000 1 A 73.240 1
ATOM 607 H H . PHE 36 36 ? A -7.398 9.232 -0.869 1.000 1 A 73.240 1
ATOM 608 H HA . PHE 36 36 ? A -4.875 9.344 -2.394 1.000 1 A 73.240 1
ATOM 609 H HB2 . PHE 36 36 ? A -6.339 6.986 -1.181 1.000 1 A 73.240 1
ATOM 610 H HB3 . PHE 36 36 ? A -4.883 6.886 -2.156 1.000 1 A 73.240 1
ATOM 611 H HD1 . PHE 36 36 ? A -2.785 8.195 -1.352 1.000 1 A 73.240 1
ATOM 612 H HD2 . PHE 36 36 ? A -6.181 7.364 1.166 1.000 1 A 73.240 1
ATOM 613 H HE1 . PHE 36 36 ? A -1.357 8.462 0.659 1.000 1 A 73.240 1
ATOM 614 H HE2 . PHE 36 36 ? A -4.757 7.684 3.179 1.000 1 A 73.240 1
ATOM 615 H HZ . PHE 36 36 ? A -2.346 8.213 2.925 1.000 1 A 73.240 1
ATOM 616 N N . PRO 37 37 ? A -5.805 8.361 -4.588 1.000 1 A 76.080 1
ATOM 617 C CA . PRO 37 37 ? A -6.373 7.874 -5.834 1.000 1 A 76.080 1
ATOM 618 C C . PRO 37 37 ? A -7.104 6.548 -5.619 1.000 1 A 76.080 1
ATOM 619 O O . PRO 37 37 ? A -6.623 5.673 -4.897 1.000 1 A 76.080 1
ATOM 620 C CB . PRO 37 37 ? A -5.191 7.714 -6.796 1.000 1 A 76.080 1
ATOM 621 C CG . PRO 37 37 ? A -4.130 8.655 -6.230 1.000 1 A 76.080 1
ATOM 622 C CD . PRO 37 37 ? A -4.379 8.600 -4.729 1.000 1 A 76.080 1
ATOM 623 H HA . PRO 37 37 ? A -7.062 8.625 -6.220 1.000 1 A 76.080 1
ATOM 624 H HB2 . PRO 37 37 ? A -4.813 6.692 -6.764 1.000 1 A 76.080 1
ATOM 625 H HB3 . PRO 37 37 ? A -5.463 7.981 -7.817 1.000 1 A 76.080 1
ATOM 626 H HG2 . PRO 37 37 ? A -3.121 8.329 -6.485 1.000 1 A 76.080 1
ATOM 627 H HG3 . PRO 37 37 ? A -4.309 9.667 -6.592 1.000 1 A 76.080 1
ATOM 628 H HD2 . PRO 37 37 ? A -3.823 7.771 -4.290 1.000 1 A 76.080 1
ATOM 629 H HD3 . PRO 37 37 ? A -4.076 9.546 -4.282 1.000 1 A 76.080 1
ATOM 630 N N . LYS 38 38 ? A -8.243 6.368 -6.294 1.000 1 A 77.980 1
ATOM 631 C CA . LYS 38 38 ? A -9.047 5.139 -6.216 1.000 1 A 77.980 1
ATOM 632 C C . LYS 38 38 ? A -8.220 3.880 -6.488 1.000 1 A 77.980 1
ATOM 633 O O . LYS 38 38 ? A -8.413 2.880 -5.808 1.000 1 A 77.980 1
ATOM 634 C CB . LYS 38 38 ? A -10.222 5.258 -7.196 1.000 1 A 77.980 1
ATOM 635 C CG . LYS 38 38 ? A -11.141 4.028 -7.165 1.000 1 A 77.980 1
ATOM 636 C CD . LYS 38 38 ? A -12.283 4.192 -8.170 1.000 1 A 77.980 1
ATOM 637 C CE . LYS 38 38 ? A -13.133 2.920 -8.188 1.000 1 A 77.980 1
ATOM 638 N NZ . LYS 38 38 ? A -14.181 2.994 -9.235 1.000 1 A 77.980 1
ATOM 639 H H . LYS 38 38 ? A -8.591 7.146 -6.837 1.000 1 A 77.980 1
ATOM 640 H HA . LYS 38 38 ? A -9.430 5.040 -5.201 1.000 1 A 77.980 1
ATOM 641 H HB2 . LYS 38 38 ? A -9.830 5.384 -8.205 1.000 1 A 77.980 1
ATOM 642 H HB3 . LYS 38 38 ? A -10.805 6.142 -6.937 1.000 1 A 77.980 1
ATOM 643 H HG2 . LYS 38 38 ? A -11.549 3.899 -6.163 1.000 1 A 77.980 1
ATOM 644 H HG3 . LYS 38 38 ? A -10.575 3.136 -7.436 1.000 1 A 77.980 1
ATOM 645 H HD2 . LYS 38 38 ? A -11.859 4.362 -9.160 1.000 1 A 77.980 1
ATOM 646 H HD3 . LYS 38 38 ? A -12.895 5.049 -7.888 1.000 1 A 77.980 1
ATOM 647 H HE2 . LYS 38 38 ? A -13.582 2.784 -7.204 1.000 1 A 77.980 1
ATOM 648 H HE3 . LYS 38 38 ? A -12.476 2.071 -8.375 1.000 1 A 77.980 1
ATOM 649 H HZ1 . LYS 38 38 ? A -13.751 3.099 -10.143 1.000 1 A 77.980 1
ATOM 650 H HZ2 . LYS 38 38 ? A -14.791 3.783 -9.075 1.000 1 A 77.980 1
ATOM 651 H HZ3 . LYS 38 38 ? A -14.733 2.148 -9.244 1.000 1 A 77.980 1
ATOM 652 N N . GLU 39 39 ? A -7.295 3.942 -7.441 1.000 1 A 75.890 1
ATOM 653 C CA . GLU 39 39 ? A -6.378 2.845 -7.783 1.000 1 A 75.890 1
ATOM 654 C C . GLU 39 39 ? A -5.485 2.460 -6.599 1.000 1 A 75.890 1
ATOM 655 O O . GLU 39 39 ? A -5.285 1.277 -6.317 1.000 1 A 75.890 1
ATOM 656 C CB . GLU 39 39 ? A -5.489 3.302 -8.946 1.000 1 A 75.890 1
ATOM 657 C CG . GLU 39 39 ? A -6.286 3.535 -10.235 1.000 1 A 75.890 1
ATOM 658 C CD . GLU 39 39 ? A -5.465 4.371 -11.217 1.000 1 A 75.890 1
ATOM 659 O OE1 . GLU 39 39 ? A -4.883 3.776 -12.148 1.000 1 A 75.890 1
ATOM 660 O OE2 . GLU 39 39 ? A -5.438 5.605 -11.000 1.000 1 A 75.890 1
ATOM 661 H H . GLU 39 39 ? A -7.212 4.794 -7.976 1.000 1 A 75.890 1
ATOM 662 H HA . GLU 39 39 ? A -6.938 1.960 -8.085 1.000 1 A 75.890 1
ATOM 663 H HB2 . GLU 39 39 ? A -4.726 2.547 -9.139 1.000 1 A 75.890 1
ATOM 664 H HB3 . GLU 39 39 ? A -4.988 4.225 -8.655 1.000 1 A 75.890 1
ATOM 665 H HG2 . GLU 39 39 ? A -7.211 4.068 -10.016 1.000 1 A 75.890 1
ATOM 666 H HG3 . GLU 39 39 ? A -6.554 2.573 -10.670 1.000 1 A 75.890 1
ATOM 667 N N . LEU 40 40 ? A -5.008 3.465 -5.859 1.000 1 A 73.180 1
ATOM 668 C CA . LEU 40 40 ? A -4.237 3.271 -4.640 1.000 1 A 73.180 1
ATOM 669 C C . LEU 40 40 ? A -5.101 2.584 -3.587 1.000 1 A 73.180 1
ATOM 670 O O . LEU 40 40 ? A -4.719 1.542 -3.080 1.000 1 A 73.180 1
ATOM 671 C CB . LEU 40 40 ? A -3.722 4.626 -4.124 1.000 1 A 73.180 1
ATOM 672 C CG . LEU 40 40 ? A -2.423 4.465 -3.324 1.000 1 A 73.180 1
ATOM 673 C CD1 . LEU 40 40 ? A -1.249 4.460 -4.301 1.000 1 A 73.180 1
ATOM 674 C CD2 . LEU 40 40 ? A -2.203 5.631 -2.371 1.000 1 A 73.180 1
ATOM 675 H H . LEU 40 40 ? A -5.285 4.407 -6.095 1.000 1 A 73.180 1
ATOM 676 H HA . LEU 40 40 ? A -3.395 2.616 -4.867 1.000 1 A 73.180 1
ATOM 677 H HB2 . LEU 40 40 ? A -4.483 5.075 -3.485 1.000 1 A 73.180 1
ATOM 678 H HB3 . LEU 40 40 ? A -3.556 5.308 -4.957 1.000 1 A 73.180 1
ATOM 679 H HG . LEU 40 40 ? A -2.448 3.541 -2.746 1.000 1 A 73.180 1
ATOM 680 H HD11 . LEU 40 40 ? A -1.296 3.589 -4.954 1.000 1 A 73.180 1
ATOM 681 H HD12 . LEU 40 40 ? A -1.279 5.356 -4.921 1.000 1 A 73.180 1
ATOM 682 H HD13 . LEU 40 40 ? A -0.301 4.473 -3.763 1.000 1 A 73.180 1
ATOM 683 H HD21 . LEU 40 40 ? A -1.243 5.521 -1.867 1.000 1 A 73.180 1
ATOM 684 H HD22 . LEU 40 40 ? A -2.982 5.613 -1.609 1.000 1 A 73.180 1
ATOM 685 H HD23 . LEU 40 40 ? A -2.224 6.573 -2.919 1.000 1 A 73.180 1
ATOM 686 N N . VAL 41 41 ? A -6.299 3.110 -3.322 1.000 1 A 74.040 1
ATOM 687 C CA . VAL 41 41 ? A -7.222 2.539 -2.329 1.000 1 A 74.040 1
ATOM 688 C C . VAL 41 41 ? A -7.618 1.108 -2.685 1.000 1 A 74.040 1
ATOM 689 O O . VAL 41 41 ? A -7.645 0.253 -1.811 1.000 1 A 74.040 1
ATOM 690 C CB . VAL 41 41 ? A -8.470 3.419 -2.153 1.000 1 A 74.040 1
ATOM 691 C CG1 . VAL 41 41 ? A -9.411 2.848 -1.084 1.000 1 A 74.040 1
ATOM 692 C CG2 . VAL 41 41 ? A -8.077 4.833 -1.717 1.000 1 A 74.040 1
ATOM 693 H H . VAL 41 41 ? A -6.557 3.961 -3.803 1.000 1 A 74.040 1
ATOM 694 H HA . VAL 41 41 ? A -6.708 2.490 -1.369 1.000 1 A 74.040 1
ATOM 695 H HB . VAL 41 41 ? A -9.008 3.479 -3.099 1.000 1 A 74.040 1
ATOM 696 H HG11 . VAL 41 41 ? A -10.232 3.540 -0.892 1.000 1 A 74.040 1
ATOM 697 H HG12 . VAL 41 41 ? A -9.834 1.901 -1.419 1.000 1 A 74.040 1
ATOM 698 H HG13 . VAL 41 41 ? A -8.865 2.685 -0.155 1.000 1 A 74.040 1
ATOM 699 H HG21 . VAL 41 41 ? A -8.970 5.416 -1.492 1.000 1 A 74.040 1
ATOM 700 H HG22 . VAL 41 41 ? A -7.534 5.344 -2.512 1.000 1 A 74.040 1
ATOM 701 H HG23 . VAL 41 41 ? A -7.451 4.789 -0.825 1.000 1 A 74.040 1
ATOM 702 N N . GLN 42 42 ? A -7.878 0.810 -3.959 1.000 1 A 75.760 1
ATOM 703 C CA . GLN 42 42 ? A -8.161 -0.554 -4.408 1.000 1 A 75.760 1
ATOM 704 C C . GLN 42 42 ? A -6.968 -1.487 -4.207 1.000 1 A 75.760 1
ATOM 705 O O . GLN 42 42 ? A -7.160 -2.625 -3.783 1.000 1 A 75.760 1
ATOM 706 C CB . GLN 42 42 ? A -8.567 -0.550 -5.886 1.000 1 A 75.760 1
ATOM 707 C CG . GLN 42 42 ? A -10.012 -0.076 -6.068 1.000 1 A 75.760 1
ATOM 708 C CD . GLN 42 42 ? A -10.471 -0.189 -7.516 1.000 1 A 75.760 1
ATOM 709 O OE1 . GLN 42 42 ? A -9.768 0.091 -8.466 1.000 1 A 75.760 1
ATOM 710 N NE2 . GLN 42 42 ? A -11.700 -0.589 -7.760 1.000 1 A 75.760 1
ATOM 711 H H . GLN 42 42 ? A -7.840 1.549 -4.647 1.000 1 A 75.760 1
ATOM 712 H HA . GLN 42 42 ? A -8.978 -0.962 -3.813 1.000 1 A 75.760 1
ATOM 713 H HB2 . GLN 42 42 ? A -8.496 -1.567 -6.273 1.000 1 A 75.760 1
ATOM 714 H HB3 . GLN 42 42 ? A -7.888 0.082 -6.459 1.000 1 A 75.760 1
ATOM 715 H HG2 . GLN 42 42 ? A -10.660 -0.692 -5.445 1.000 1 A 75.760 1
ATOM 716 H HG3 . GLN 42 42 ? A -10.117 0.959 -5.745 1.000 1 A 75.760 1
ATOM 717 H HE21 . GLN 42 42 ? A -11.841 -0.854 -8.724 1.000 1 A 75.760 1
ATOM 718 H HE22 . GLN 42 42 ? A -12.233 -1.004 -7.009 1.000 1 A 75.760 1
ATOM 719 N N . THR 43 43 ? A -5.751 -1.009 -4.468 1.000 1 A 73.870 1
ATOM 720 C CA . THR 43 43 ? A -4.524 -1.772 -4.212 1.000 1 A 73.870 1
ATOM 721 C C . THR 43 43 ? A -4.352 -2.032 -2.716 1.000 1 A 73.870 1
ATOM 722 O O . THR 43 43 ? A -4.100 -3.169 -2.330 1.000 1 A 73.870 1
ATOM 723 C CB . THR 43 43 ? A -3.295 -1.047 -4.781 1.000 1 A 73.870 1
ATOM 724 O OG1 . THR 43 43 ? A -3.475 -0.802 -6.158 1.000 1 A 73.870 1
ATOM 725 C CG2 . THR 43 43 ? A -2.020 -1.880 -4.644 1.000 1 A 73.870 1
ATOM 726 H H . THR 43 43 ? A -5.666 -0.070 -4.832 1.000 1 A 73.870 1
ATOM 727 H HA . THR 43 43 ? A -4.599 -2.740 -4.708 1.000 1 A 73.870 1
ATOM 728 H HB . THR 43 43 ? A -3.151 -0.096 -4.269 1.000 1 A 73.870 1
ATOM 729 H HG1 . THR 43 43 ? A -4.121 -0.098 -6.257 1.000 1 A 73.870 1
ATOM 730 H HG21 . THR 43 43 ? A -1.767 -2.015 -3.593 1.000 1 A 73.870 1
ATOM 731 H HG22 . THR 43 43 ? A -2.163 -2.856 -5.109 1.000 1 A 73.870 1
ATOM 732 H HG23 . THR 43 43 ? A -1.197 -1.365 -5.138 1.000 1 A 73.870 1
ATOM 733 N N . LEU 44 44 ? A -4.573 -1.012 -1.877 1.000 1 A 66.970 1
ATOM 734 C CA . LEU 44 44 ? A -4.525 -1.117 -0.416 1.000 1 A 66.970 1
ATOM 735 C C . LEU 44 44 ? A -5.535 -2.164 0.089 1.000 1 A 66.970 1
ATOM 736 O O . LEU 44 44 ? A -5.145 -3.119 0.754 1.000 1 A 66.970 1
ATOM 737 C CB . LEU 44 44 ? A -4.771 0.270 0.224 1.000 1 A 66.970 1
ATOM 738 C CG . LEU 44 44 ? A -3.697 1.352 -0.026 1.000 1 A 66.970 1
ATOM 739 C CD1 . LEU 44 44 ? A -4.152 2.707 0.522 1.000 1 A 66.970 1
ATOM 740 C CD2 . LEU 44 44 ? A -2.360 1.020 0.612 1.000 1 A 66.970 1
ATOM 741 H H . LEU 44 44 ? A -4.780 -0.107 -2.276 1.000 1 A 66.970 1
ATOM 742 H HA . LEU 44 44 ? A -3.539 -1.473 -0.119 1.000 1 A 66.970 1
ATOM 743 H HB2 . LEU 44 44 ? A -5.730 0.649 -0.128 1.000 1 A 66.970 1
ATOM 744 H HB3 . LEU 44 44 ? A -4.860 0.130 1.302 1.000 1 A 66.970 1
ATOM 745 H HG . LEU 44 44 ? A -3.506 1.465 -1.093 1.000 1 A 66.970 1
ATOM 746 H HD11 . LEU 44 44 ? A -5.086 3.008 0.048 1.000 1 A 66.970 1
ATOM 747 H HD12 . LEU 44 44 ? A -4.302 2.637 1.600 1.000 1 A 66.970 1
ATOM 748 H HD13 . LEU 44 44 ? A -3.394 3.463 0.315 1.000 1 A 66.970 1
ATOM 749 H HD21 . LEU 44 44 ? A -2.503 0.816 1.673 1.000 1 A 66.970 1
ATOM 750 H HD22 . LEU 44 44 ? A -1.664 1.852 0.498 1.000 1 A 66.970 1
ATOM 751 H HD23 . LEU 44 44 ? A -1.934 0.149 0.114 1.000 1 A 66.970 1
ATOM 752 N N . LEU 45 45 ? A -6.807 -2.056 -0.315 1.000 1 A 68.960 1
ATOM 753 C CA . LEU 45 45 ? A -7.873 -2.992 0.072 1.000 1 A 68.960 1
ATOM 754 C C . LEU 45 45 ? A -7.618 -4.425 -0.419 1.000 1 A 68.960 1
ATOM 755 O O . LEU 45 45 ? A -7.947 -5.384 0.276 1.000 1 A 68.960 1
ATOM 756 C CB . LEU 45 45 ? A -9.222 -2.492 -0.483 1.000 1 A 68.960 1
ATOM 757 C CG . LEU 45 45 ? A -9.771 -1.209 0.169 1.000 1 A 68.960 1
ATOM 758 C CD1 . LEU 45 45 ? A -11.014 -0.746 -0.599 1.000 1 A 68.960 1
ATOM 759 C CD2 . LEU 45 45 ? A -10.164 -1.413 1.631 1.000 1 A 68.960 1
ATOM 760 H H . LEU 45 45 ? A -7.055 -1.250 -0.872 1.000 1 A 68.960 1
ATOM 761 H HA . LEU 45 45 ? A -7.919 -3.045 1.160 1.000 1 A 68.960 1
ATOM 762 H HB2 . LEU 45 45 ? A -9.961 -3.282 -0.350 1.000 1 A 68.960 1
ATOM 763 H HB3 . LEU 45 45 ? A -9.108 -2.325 -1.555 1.000 1 A 68.960 1
ATOM 764 H HG . LEU 45 45 ? A -9.025 -0.415 0.132 1.000 1 A 68.960 1
ATOM 765 H HD11 . LEU 45 45 ? A -11.395 0.172 -0.151 1.000 1 A 68.960 1
ATOM 766 H HD12 . LEU 45 45 ? A -11.780 -1.521 -0.562 1.000 1 A 68.960 1
ATOM 767 H HD13 . LEU 45 45 ? A -10.741 -0.548 -1.635 1.000 1 A 68.960 1
ATOM 768 H HD21 . LEU 45 45 ? A -10.879 -2.230 1.724 1.000 1 A 68.960 1
ATOM 769 H HD22 . LEU 45 45 ? A -9.280 -1.653 2.223 1.000 1 A 68.960 1
ATOM 770 H HD23 . LEU 45 45 ? A -10.594 -0.497 2.035 1.000 1 A 68.960 1
ATOM 771 N N . SER 46 46 ? A -7.027 -4.580 -1.607 1.000 1 A 69.920 1
ATOM 772 C CA . SER 46 46 ? A -6.706 -5.901 -2.167 1.000 1 A 69.920 1
ATOM 773 C C . SER 46 46 ? A -5.529 -6.567 -1.453 1.000 1 A 69.920 1
ATOM 774 O O . SER 46 46 ? A -5.497 -7.790 -1.361 1.000 1 A 69.920 1
ATOM 775 C CB . SER 46 46 ? A -6.390 -5.808 -3.662 1.000 1 A 69.920 1
ATOM 776 O OG . SER 46 46 ? A -7.471 -5.239 -4.377 1.000 1 A 69.920 1
ATOM 777 H H . SER 46 46 ? A -6.782 -3.754 -2.134 1.000 1 A 69.920 1
ATOM 778 H HA . SER 46 46 ? A -7.570 -6.555 -2.047 1.000 1 A 69.920 1
ATOM 779 H HB2 . SER 46 46 ? A -5.498 -5.199 -3.810 1.000 1 A 69.920 1
ATOM 780 H HB3 . SER 46 46 ? A -6.199 -6.810 -4.046 1.000 1 A 69.920 1
ATOM 781 H HG . SER 46 46 ? A -7.478 -4.304 -4.162 1.000 1 A 69.920 1
ATOM 782 N N . GLN 47 47 ? A -4.567 -5.788 -0.945 1.000 1 A 64.040 1
ATOM 783 C CA . GLN 47 47 ? A -3.434 -6.321 -0.185 1.000 1 A 64.040 1
ATOM 784 C C . GLN 47 47 ? A -3.807 -6.696 1.252 1.000 1 A 64.040 1
ATOM 785 O O . GLN 47 47 ? A -3.267 -7.666 1.778 1.000 1 A 64.040 1
ATOM 786 C CB . GLN 47 47 ? A -2.262 -5.328 -0.203 1.000 1 A 64.040 1
ATOM 787 C CG . GLN 47 47 ? A -1.558 -5.330 -1.566 1.000 1 A 64.040 1
ATOM 788 C CD . GLN 47 47 ? A -0.199 -4.640 -1.531 1.000 1 A 64.040 1
ATOM 789 O OE1 . GLN 47 47 ? A 0.053 -3.675 -0.831 1.000 1 A 64.040 1
ATOM 790 N NE2 . GLN 47 47 ? A 0.756 -5.116 -2.300 1.000 1 A 64.040 1
ATOM 791 H H . GLN 47 47 ? A -4.637 -4.786 -1.055 1.000 1 A 64.040 1
ATOM 792 H HA . GLN 47 47 ? A -3.103 -7.249 -0.651 1.000 1 A 64.040 1
ATOM 793 H HB2 . GLN 47 47 ? A -2.610 -4.324 0.041 1.000 1 A 64.040 1
ATOM 794 H HB3 . GLN 47 47 ? A -1.540 -5.636 0.553 1.000 1 A 64.040 1
ATOM 795 H HG2 . GLN 47 47 ? A -1.405 -6.363 -1.877 1.000 1 A 64.040 1
ATOM 796 H HG3 . GLN 47 47 ? A -2.183 -4.845 -2.316 1.000 1 A 64.040 1
ATOM 797 H HE21 . GLN 47 47 ? A 0.597 -5.951 -2.845 1.000 1 A 64.040 1
ATOM 798 H HE22 . GLN 47 47 ? A 1.656 -4.669 -2.190 1.000 1 A 64.040 1
ATOM 799 N N . GLU 48 48 ? A -4.744 -5.983 1.883 1.000 1 A 61.680 1
ATOM 800 C CA . GLU 48 48 ? A -5.220 -6.361 3.220 1.000 1 A 61.680 1
ATOM 801 C C . GLU 48 48 ? A -6.059 -7.642 3.208 1.000 1 A 61.680 1
ATOM 802 O O . GLU 48 48 ? A -5.903 -8.476 4.095 1.000 1 A 61.680 1
ATOM 803 C CB . GLU 48 48 ? A -5.977 -5.205 3.879 1.000 1 A 61.680 1
ATOM 804 C CG . GLU 48 48 ? A -5.018 -4.041 4.144 1.000 1 A 61.680 1
ATOM 805 C CD . GLU 48 48 ? A -5.388 -3.285 5.410 1.000 1 A 61.680 1
ATOM 806 O OE1 . GLU 48 48 ? A -4.604 -3.413 6.381 1.000 1 A 61.680 1
ATOM 807 O OE2 . GLU 48 48 ? A -6.430 -2.593 5.385 1.000 1 A 61.680 1
ATOM 808 H H . GLU 48 48 ? A -5.106 -5.143 1.456 1.000 1 A 61.680 1
ATOM 809 H HA . GLU 48 48 ? A -4.359 -6.589 3.848 1.000 1 A 61.680 1
ATOM 810 H HB2 . GLU 48 48 ? A -6.802 -4.876 3.247 1.000 1 A 61.680 1
ATOM 811 H HB3 . GLU 48 48 ? A -6.378 -5.561 4.828 1.000 1 A 61.680 1
ATOM 812 H HG2 . GLU 48 48 ? A -4.005 -4.430 4.252 1.000 1 A 61.680 1
ATOM 813 H HG3 . GLU 48 48 ? A -5.023 -3.361 3.293 1.000 1 A 61.680 1
ATOM 814 N N . GLY 49 49 ? A -6.862 -7.863 2.162 1.000 1 A 59.170 1
ATOM 815 C CA . GLY 49 49 ? A -7.649 -9.091 1.991 1.000 1 A 59.170 1
ATOM 816 C C . GLY 49 49 ? A -6.844 -10.363 1.674 1.000 1 A 59.170 1
ATOM 817 O O . GLY 49 49 ? A -7.453 -11.408 1.486 1.000 1 A 59.170 1
ATOM 818 H H . GLY 49 49 ? A -6.956 -7.134 1.469 1.000 1 A 59.170 1
ATOM 819 H HA2 . GLY 49 49 ? A -8.362 -8.939 1.181 1.000 1 A 59.170 1
ATOM 820 H HA3 . GLY 49 49 ? A -8.207 -9.280 2.908 1.000 1 A 59.170 1
ATOM 821 N N . GLN 50 50 ? A -5.509 -10.288 1.585 1.000 1 A 53.710 1
ATOM 822 C CA . GLN 50 50 ? A -4.606 -11.432 1.357 1.000 1 A 53.710 1
ATOM 823 C C . GLN 50 50 ? A -3.836 -11.881 2.616 1.000 1 A 53.710 1
ATOM 824 O O . GLN 50 50 ? A -2.973 -12.753 2.519 1.000 1 A 53.710 1
ATOM 825 C CB . GLN 50 50 ? A -3.639 -11.111 0.193 1.000 1 A 53.710 1
ATOM 826 C CG . GLN 50 50 ? A -4.053 -11.815 -1.105 1.000 1 A 53.710 1
ATOM 827 C CD . GLN 50 50 ? A -3.028 -11.673 -2.229 1.000 1 A 53.710 1
ATOM 828 O OE1 . GLN 50 50 ? A -1.856 -11.373 -2.059 1.000 1 A 53.710 1
ATOM 829 N NE2 . GLN 50 50 ? A -3.428 -11.904 -3.461 1.000 1 A 53.710 1
ATOM 830 H H . GLN 50 50 ? A -5.083 -9.386 1.746 1.000 1 A 53.710 1
ATOM 831 H HA . GLN 50 50 ? A -5.206 -12.299 1.081 1.000 1 A 53.710 1
ATOM 832 H HB2 . GLN 50 50 ? A -3.596 -10.035 0.022 1.000 1 A 53.710 1
ATOM 833 H HB3 . GLN 50 50 ? A -2.631 -11.437 0.446 1.000 1 A 53.710 1
ATOM 834 H HG2 . GLN 50 50 ? A -4.187 -12.879 -0.909 1.000 1 A 53.710 1
ATOM 835 H HG3 . GLN 50 50 ? A -5.008 -11.406 -1.435 1.000 1 A 53.710 1
ATOM 836 H HE21 . GLN 50 50 ? A -2.718 -11.826 -4.175 1.000 1 A 53.710 1
ATOM 837 H HE22 . GLN 50 50 ? A -4.387 -12.172 -3.631 1.000 1 A 53.710 1
ATOM 838 N N . ARG 51 51 ? A -4.091 -11.267 3.783 1.000 1 A 56.770 1
ATOM 839 C CA . ARG 51 51 ? A -3.447 -11.626 5.064 1.000 1 A 56.770 1
ATOM 840 C C . ARG 51 51 ? A -4.225 -12.644 5.915 1.000 1 A 56.770 1
ATOM 841 O O . ARG 51 51 ? A -3.735 -12.976 6.992 1.000 1 A 56.770 1
ATOM 842 C CB . ARG 51 51 ? A -3.100 -10.353 5.857 1.000 1 A 56.770 1
ATOM 843 C CG . ARG 51 51 ? A -1.781 -9.734 5.380 1.000 1 A 56.770 1
ATOM 844 C CD . ARG 51 51 ? A -1.437 -8.492 6.218 1.000 1 A 56.770 1
ATOM 845 N NE . ARG 51 51 ? A -0.035 -8.509 6.681 1.000 1 A 56.770 1
ATOM 846 C CZ . ARG 51 51 ? A 0.588 -7.520 7.295 1.000 1 A 56.770 1
ATOM 847 N NH1 . ARG 51 51 ? A 0.006 -6.372 7.514 1.000 1 A 56.770 1
ATOM 848 N NH2 . ARG 51 51 ? A 1.819 -7.668 7.702 1.000 1 A 56.770 1
ATOM 849 H H . ARG 51 51 ? A -4.828 -10.576 3.804 1.000 1 A 56.770 1
ATOM 850 H HA . ARG 51 51 ? A -2.523 -12.161 4.848 1.000 1 A 56.770 1
ATOM 851 H HB2 . ARG 51 51 ? A -2.988 -10.599 6.913 1.000 1 A 56.770 1
ATOM 852 H HB3 . ARG 51 51 ? A -3.911 -9.631 5.767 1.000 1 A 56.770 1
ATOM 853 H HG2 . ARG 51 51 ? A -1.864 -9.451 4.330 1.000 1 A 56.770 1
ATOM 854 H HG3 . ARG 51 51 ? A -0.994 -10.481 5.478 1.000 1 A 56.770 1
ATOM 855 H HD2 . ARG 51 51 ? A -1.628 -7.608 5.610 1.000 1 A 56.770 1
ATOM 856 H HD3 . ARG 51 51 ? A -2.093 -8.451 7.088 1.000 1 A 56.770 1
ATOM 857 H HE . ARG 51 51 ? A 0.462 -9.379 6.551 1.000 1 A 56.770 1
ATOM 858 H HH11 . ARG 51 51 ? A -0.946 -6.254 7.199 1.000 1 A 56.770 1
ATOM 859 H HH12 . ARG 51 51 ? A 0.480 -5.602 7.963 1.000 1 A 56.770 1
ATOM 860 H HH21 . ARG 51 51 ? A 2.284 -8.553 7.561 1.000 1 A 56.770 1
ATOM 861 H HH22 . ARG 51 51 ? A 2.281 -6.904 8.176 1.000 1 A 56.770 1
ATOM 862 N N . ASP 52 52 ? A -5.363 -13.133 5.426 1.000 1 A 48.930 1
ATOM 863 C CA . ASP 52 52 ? A -6.142 -14.252 5.990 1.000 1 A 48.930 1
ATOM 864 C C . ASP 52 52 ? A -5.977 -15.494 5.098 1.000 1 A 48.930 1
ATOM 865 O O . ASP 52 52 ? A -5.781 -16.603 5.646 1.000 1 A 48.930 1
ATOM 866 C CB . ASP 52 52 ? A -7.626 -13.828 6.151 1.000 1 A 48.930 1
ATOM 867 C CG . ASP 52 52 ? A -8.196 -14.032 7.569 1.000 1 A 48.930 1
ATOM 868 O OD1 . ASP 52 52 ? A -8.872 -15.061 7.810 1.000 1 A 48.930 1
ATOM 869 O OD2 . ASP 52 52 ? A -8.031 -13.107 8.401 1.000 1 A 48.930 1
ATOM 870 O OXT . ASP 52 52 ? A -5.973 -15.289 3.860 1.000 1 A 48.930 1
ATOM 871 H H . ASP 52 52 ? A -5.599 -12.917 4.469 1.000 1 A 48.930 1
ATOM 872 H HA . ASP 52 52 ? A -5.753 -14.517 6.973 1.000 1 A 48.930 1
ATOM 873 H HB2 . ASP 52 52 ? A -7.735 -12.775 5.893 1.000 1 A 48.930 1
ATOM 874 H HB3 . ASP 52 52 ? A -8.238 -14.381 5.438 1.000 1 A 48.930 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 65.931

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 47.580
2 1 A 2 LYS 2 62.650
3 1 A 3 LYS 2 59.420
4 1 A 4 LYS 2 57.710
5 1 A 5 ASP 2 61.720
6 1 A 6 ALA 2 63.950
7 1 A 7 TYR 2 66.270
8 1 A 8 GLU 2 67.190
9 1 A 9 GLN 2 61.370
10 1 A 10 ALA 2 65.610
11 1 A 11 LYS 2 68.450
12 1 A 12 ALA 2 66.000
13 1 A 13 TYR 2 63.260
14 1 A 14 ASN 2 67.980
15 1 A 15 ILE 2 66.000
16 1 A 16 LEU 2 64.510
17 1 A 17 ASN 2 65.700
18 1 A 18 VAL 2 62.880
19 1 A 19 ALA 2 62.170
20 1 A 20 PHE 2 61.190
21 1 A 21 LEU 2 59.340
22 1 A 22 LEU 2 62.250
23 1 A 23 PRO 2 59.890
24 1 A 24 VAL 2 58.780
25 1 A 25 MET 2 57.660
26 1 A 26 ALA 2 64.910
27 1 A 27 LEU 2 64.660
28 1 A 28 PRO 2 71.120
29 1 A 29 LYS 2 71.080
30 1 A 30 ASP 2 73.630
31 1 A 31 MET 2 74.200
32 1 A 32 LEU 2 72.470
33 1 A 33 LEU 2 75.970
34 1 A 34 ARG 2 77.160
35 1 A 35 ILE 2 73.510
36 1 A 36 PHE 2 73.240
37 1 A 37 PRO 2 76.080
38 1 A 38 LYS 2 77.980
39 1 A 39 GLU 2 75.890
40 1 A 40 LEU 2 73.180
41 1 A 41 VAL 2 74.040
42 1 A 42 GLN 2 75.760
43 1 A 43 THR 2 73.870
44 1 A 44 LEU 2 66.970
45 1 A 45 LEU 2 68.960
46 1 A 46 SER 2 69.920
47 1 A 47 GLN 2 64.040
48 1 A 48 GLU 2 61.680
49 1 A 49 GLY 2 59.170
50 1 A 50 GLN 2 53.710
51 1 A 51 ARG 2 56.770
52 1 A 52 ASP 2 48.930

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-025
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-025

_pdbx_database_status.entry_id ma-asfv-asfvg-025
_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'