data_ma-asfv-asfvg-003
_entry.id ma-asfv-asfvg-003
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-003
_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 A118R'

_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'
CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 'CCD Core'
GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 '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'
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 A118R protein' 8028.432 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 . A0A2X0RVA9_ASF A0A2X0RVA9 . 1 60 10497 'African swine fever virus (ASFV)' 2018-09-12 989C7DF113874838
1 NCBI . CAD2068397.1 1886136922 . 1 60 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 MHSNVSFNFIACVLFPTPLIPSMAMSIPRMINKRKKRIQFLTFLTNLFLYNIVQHCISGI MHSNVSFNFIACVLFPTPLIPSMAMSIPRMINKRKKRIQFLTFLTNLFLYNIVQHCISGI

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET .
1 2 HIS .
1 3 SER .
1 4 ASN .
1 5 VAL .
1 6 SER .
1 7 PHE .
1 8 ASN .
1 9 PHE .
1 10 ILE .
1 11 ALA .
1 12 CYS .
1 13 VAL .
1 14 LEU .
1 15 PHE .
1 16 PRO .
1 17 THR .
1 18 PRO .
1 19 LEU .
1 20 ILE .
1 21 PRO .
1 22 SER .
1 23 MET .
1 24 ALA .
1 25 MET .
1 26 SER .
1 27 ILE .
1 28 PRO .
1 29 ARG .
1 30 MET .
1 31 ILE .
1 32 ASN .
1 33 LYS .
1 34 ARG .
1 35 LYS .
1 36 LYS .
1 37 ARG .
1 38 ILE .
1 39 GLN .
1 40 PHE .
1 41 LEU .
1 42 THR .
1 43 PHE .
1 44 LEU .
1 45 THR .
1 46 ASN .
1 47 LEU .
1 48 PHE .
1 49 LEU .
1 50 TYR .
1 51 ASN .
1 52 ILE .
1 53 VAL .
1 54 GLN .
1 55 HIS .
1 56 CYS .
1 57 ILE .
1 58 SER .
1 59 GLY .
1 60 ILE .

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 HIS 2 2 HIS HIS A .
A 1 3 SER 3 3 SER SER A .
A 1 4 ASN 4 4 ASN ASN A .
A 1 5 VAL 5 5 VAL VAL A .
A 1 6 SER 6 6 SER SER A .
A 1 7 PHE 7 7 PHE PHE A .
A 1 8 ASN 8 8 ASN ASN A .
A 1 9 PHE 9 9 PHE PHE A .
A 1 10 ILE 10 10 ILE ILE A .
A 1 11 ALA 11 11 ALA ALA A .
A 1 12 CYS 12 12 CYS CYS A .
A 1 13 VAL 13 13 VAL VAL A .
A 1 14 LEU 14 14 LEU LEU A .
A 1 15 PHE 15 15 PHE PHE A .
A 1 16 PRO 16 16 PRO PRO A .
A 1 17 THR 17 17 THR THR A .
A 1 18 PRO 18 18 PRO PRO A .
A 1 19 LEU 19 19 LEU LEU A .
A 1 20 ILE 20 20 ILE ILE A .
A 1 21 PRO 21 21 PRO PRO A .
A 1 22 SER 22 22 SER SER A .
A 1 23 MET 23 23 MET MET A .
A 1 24 ALA 24 24 ALA ALA A .
A 1 25 MET 25 25 MET MET A .
A 1 26 SER 26 26 SER SER A .
A 1 27 ILE 27 27 ILE ILE A .
A 1 28 PRO 28 28 PRO PRO A .
A 1 29 ARG 29 29 ARG ARG A .
A 1 30 MET 30 30 MET MET A .
A 1 31 ILE 31 31 ILE ILE A .
A 1 32 ASN 32 32 ASN ASN A .
A 1 33 LYS 33 33 LYS LYS A .
A 1 34 ARG 34 34 ARG ARG A .
A 1 35 LYS 35 35 LYS LYS A .
A 1 36 LYS 36 36 LYS LYS A .
A 1 37 ARG 37 37 ARG ARG A .
A 1 38 ILE 38 38 ILE ILE A .
A 1 39 GLN 39 39 GLN GLN A .
A 1 40 PHE 40 40 PHE PHE A .
A 1 41 LEU 41 41 LEU LEU A .
A 1 42 THR 42 42 THR THR A .
A 1 43 PHE 43 43 PHE PHE A .
A 1 44 LEU 44 44 LEU LEU A .
A 1 45 THR 45 45 THR THR A .
A 1 46 ASN 46 46 ASN ASN A .
A 1 47 LEU 47 47 LEU LEU A .
A 1 48 PHE 48 48 PHE PHE A .
A 1 49 LEU 49 49 LEU LEU A .
A 1 50 TYR 50 50 TYR TYR A .
A 1 51 ASN 51 51 ASN ASN A .
A 1 52 ILE 52 52 ILE ILE A .
A 1 53 VAL 53 53 VAL VAL A .
A 1 54 GLN 54 54 GLN GLN A .
A 1 55 HIS 55 55 HIS HIS A .
A 1 56 CYS 56 56 CYS CYS A .
A 1 57 ILE 57 57 ILE ILE A .
A 1 58 SER 58 58 SER SER A .
A 1 59 GLY 59 59 GLY GLY A .
A 1 60 ILE 60 60 ILE ILE A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G A118R 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 -4.800 -16.566 5.252 1.000 1 A 58.610 1
ATOM 2 C CA . MET 1 1 ? A -5.822 -16.071 6.207 1.000 1 A 58.610 1
ATOM 3 C C . MET 1 1 ? A -5.281 -15.100 7.274 1.000 1 A 58.610 1
ATOM 4 O O . MET 1 1 ? A -6.032 -14.706 8.152 1.000 1 A 58.610 1
ATOM 5 C CB . MET 1 1 ? A -6.552 -17.259 6.856 1.000 1 A 58.610 1
ATOM 6 C CG . MET 1 1 ? A -7.490 -17.936 5.852 1.000 1 A 58.610 1
ATOM 7 S SD . MET 1 1 ? A -8.555 -19.160 6.638 1.000 1 A 58.610 1
ATOM 8 C CE . MET 1 1 ? A -9.958 -19.165 5.490 1.000 1 A 58.610 1
ATOM 9 H H . MET 1 1 ? A -4.087 -17.085 5.744 1.000 1 A 58.610 1
ATOM 10 H H2 . MET 1 1 ? A -4.381 -15.803 4.739 1.000 1 A 58.610 1
ATOM 11 H HA . MET 1 1 ? A -6.574 -15.507 5.656 1.000 1 A 58.610 1
ATOM 12 H HB2 . MET 1 1 ? A -7.166 -16.905 7.684 1.000 1 A 58.610 1
ATOM 13 H HB3 . MET 1 1 ? A -5.834 -17.981 7.244 1.000 1 A 58.610 1
ATOM 14 H HG2 . MET 1 1 ? A -8.125 -17.172 5.403 1.000 1 A 58.610 1
ATOM 15 H HG3 . MET 1 1 ? A -6.915 -18.424 5.065 1.000 1 A 58.610 1
ATOM 16 H HE1 . MET 1 1 ? A -10.713 -19.863 5.851 1.000 1 A 58.610 1
ATOM 17 H HE2 . MET 1 1 ? A -10.395 -18.168 5.429 1.000 1 A 58.610 1
ATOM 18 H HE3 . MET 1 1 ? A -9.625 -19.483 4.502 1.000 1 A 58.610 1
ATOM 19 H H3 . MET 1 1 ? A -5.233 -17.194 4.590 1.000 1 A 58.610 1
ATOM 20 N N . HIS 2 2 ? A -4.025 -14.636 7.194 1.000 1 A 53.240 1
ATOM 21 C CA . HIS 2 2 ? A -3.389 -13.870 8.281 1.000 1 A 53.240 1
ATOM 22 C C . HIS 2 2 ? A -3.742 -12.363 8.314 1.000 1 A 53.240 1
ATOM 23 O O . HIS 2 2 ? A -3.610 -11.721 9.348 1.000 1 A 53.240 1
ATOM 24 C CB . HIS 2 2 ? A -1.869 -14.109 8.187 1.000 1 A 53.240 1
ATOM 25 C CG . HIS 2 2 ? A -1.204 -14.280 9.527 1.000 1 A 53.240 1
ATOM 26 N ND1 . HIS 2 2 ? A -1.014 -15.469 10.204 1.000 1 A 53.240 1
ATOM 27 C CD2 . HIS 2 2 ? A -0.648 -13.290 10.291 1.000 1 A 53.240 1
ATOM 28 C CE1 . HIS 2 2 ? A -0.357 -15.198 11.344 1.000 1 A 53.240 1
ATOM 29 N NE2 . HIS 2 2 ? A -0.118 -13.884 11.436 1.000 1 A 53.240 1
ATOM 30 H H . HIS 2 2 ? A -3.396 -14.938 6.464 1.000 1 A 53.240 1
ATOM 31 H HA . HIS 2 2 ? A -3.726 -14.286 9.231 1.000 1 A 53.240 1
ATOM 32 H HB2 . HIS 2 2 ? A -1.663 -15.015 7.618 1.000 1 A 53.240 1
ATOM 33 H HB3 . HIS 2 2 ? A -1.398 -13.280 7.658 1.000 1 A 53.240 1
ATOM 34 H HD1 . HIS 2 2 ? A -1.268 -16.400 9.904 1.000 1 A 53.240 1
ATOM 35 H HD2 . HIS 2 2 ? A -0.621 -12.237 10.055 1.000 1 A 53.240 1
ATOM 36 H HE1 . HIS 2 2 ? A -0.048 -15.925 12.081 1.000 1 A 53.240 1
ATOM 37 N N . SER 3 3 ? A -4.229 -11.786 7.206 1.000 1 A 62.100 1
ATOM 38 C CA . SER 3 3 ? A -4.439 -10.329 7.092 1.000 1 A 62.100 1
ATOM 39 C C . SER 3 3 ? A -5.727 -9.812 7.744 1.000 1 A 62.100 1
ATOM 40 O O . SER 3 3 ? A -5.836 -8.613 7.986 1.000 1 A 62.100 1
ATOM 41 C CB . SER 3 3 ? A -4.416 -9.908 5.619 1.000 1 A 62.100 1
ATOM 42 O OG . SER 3 3 ? A -4.330 -8.504 5.505 1.000 1 A 62.100 1
ATOM 43 H H . SER 3 3 ? A -4.341 -12.349 6.375 1.000 1 A 62.100 1
ATOM 44 H HA . SER 3 3 ? A -3.611 -9.824 7.589 1.000 1 A 62.100 1
ATOM 45 H HB2 . SER 3 3 ? A -3.548 -10.350 5.130 1.000 1 A 62.100 1
ATOM 46 H HB3 . SER 3 3 ? A -5.321 -10.258 5.123 1.000 1 A 62.100 1
ATOM 47 H HG . SER 3 3 ? A -4.888 -8.101 6.175 1.000 1 A 62.100 1
ATOM 48 N N . ASN 4 4 ? A -6.710 -10.678 8.009 1.000 1 A 62.670 1
ATOM 49 C CA . ASN 4 4 ? A -7.996 -10.237 8.561 1.000 1 A 62.670 1
ATOM 50 C C . ASN 4 4 ? A -7.941 -10.086 10.089 1.000 1 A 62.670 1
ATOM 51 O O . ASN 4 4 ? A -8.609 -9.218 10.642 1.000 1 A 62.670 1
ATOM 52 C CB . ASN 4 4 ? A -9.119 -11.194 8.119 1.000 1 A 62.670 1
ATOM 53 C CG . ASN 4 4 ? A -9.472 -11.095 6.643 1.000 1 A 62.670 1
ATOM 54 O OD1 . ASN 4 4 ? A -8.713 -10.638 5.805 1.000 1 A 62.670 1
ATOM 55 N ND2 . ASN 4 4 ? A -10.639 -11.563 6.268 1.000 1 A 62.670 1
ATOM 56 H H . ASN 4 4 ? A -6.585 -11.654 7.781 1.000 1 A 62.670 1
ATOM 57 H HA . ASN 4 4 ? A -8.234 -9.249 8.168 1.000 1 A 62.670 1
ATOM 58 H HB2 . ASN 4 4 ? A -10.014 -10.938 8.686 1.000 1 A 62.670 1
ATOM 59 H HB3 . ASN 4 4 ? A -8.858 -12.225 8.358 1.000 1 A 62.670 1
ATOM 60 H HD21 . ASN 4 4 ? A -10.878 -11.455 5.292 1.000 1 A 62.670 1
ATOM 61 H HD22 . ASN 4 4 ? A -11.296 -11.910 6.952 1.000 1 A 62.670 1
ATOM 62 N N . VAL 5 5 ? A -7.128 -10.903 10.769 1.000 1 A 63.210 1
ATOM 63 C CA . VAL 5 5 ? A -7.024 -10.905 12.238 1.000 1 A 63.210 1
ATOM 64 C C . VAL 5 5 ? A -6.301 -9.655 12.738 1.000 1 A 63.210 1
ATOM 65 O O . VAL 5 5 ? A -6.771 -8.998 13.663 1.000 1 A 63.210 1
ATOM 66 C CB . VAL 5 5 ? A -6.319 -12.181 12.740 1.000 1 A 63.210 1
ATOM 67 C CG1 . VAL 5 5 ? A -6.240 -12.221 14.270 1.000 1 A 63.210 1
ATOM 68 C CG2 . VAL 5 5 ? A -7.061 -13.442 12.271 1.000 1 A 63.210 1
ATOM 69 H H . VAL 5 5 ? A -6.569 -11.569 10.254 1.000 1 A 63.210 1
ATOM 70 H HA . VAL 5 5 ? A -8.027 -10.884 12.663 1.000 1 A 63.210 1
ATOM 71 H HB . VAL 5 5 ? A -5.306 -12.211 12.338 1.000 1 A 63.210 1
ATOM 72 H HG11 . VAL 5 5 ? A -7.238 -12.149 14.703 1.000 1 A 63.210 1
ATOM 73 H HG12 . VAL 5 5 ? A -5.628 -11.401 14.645 1.000 1 A 63.210 1
ATOM 74 H HG13 . VAL 5 5 ? A -5.780 -13.154 14.595 1.000 1 A 63.210 1
ATOM 75 H HG21 . VAL 5 5 ? A -8.091 -13.423 12.626 1.000 1 A 63.210 1
ATOM 76 H HG22 . VAL 5 5 ? A -7.050 -13.517 11.184 1.000 1 A 63.210 1
ATOM 77 H HG23 . VAL 5 5 ? A -6.568 -14.327 12.675 1.000 1 A 63.210 1
ATOM 78 N N . SER 6 6 ? A -5.203 -9.275 12.081 1.000 1 A 66.230 1
ATOM 79 C CA . SER 6 6 ? A -4.456 -8.059 12.412 1.000 1 A 66.230 1
ATOM 80 C C . SER 6 6 ? A -5.282 -6.791 12.186 1.000 1 A 66.230 1
ATOM 81 O O . SER 6 6 ? A -5.224 -5.873 13.000 1.000 1 A 66.230 1
ATOM 82 C CB . SER 6 6 ? A -3.155 -8.017 11.605 1.000 1 A 66.230 1
ATOM 83 O OG . SER 6 6 ? A -3.392 -8.300 10.235 1.000 1 A 66.230 1
ATOM 84 H H . SER 6 6 ? A -4.865 -9.827 11.306 1.000 1 A 66.230 1
ATOM 85 H HA . SER 6 6 ? A -4.193 -8.083 13.470 1.000 1 A 66.230 1
ATOM 86 H HB2 . SER 6 6 ? A -2.474 -8.769 12.004 1.000 1 A 66.230 1
ATOM 87 H HB3 . SER 6 6 ? A -2.691 -7.036 11.709 1.000 1 A 66.230 1
ATOM 88 H HG . SER 6 6 ? A -2.544 -8.288 9.785 1.000 1 A 66.230 1
ATOM 89 N N . PHE 7 7 ? A -6.110 -6.754 11.137 1.000 1 A 65.380 1
ATOM 90 C CA . PHE 7 7 ? A -7.014 -5.630 10.892 1.000 1 A 65.380 1
ATOM 91 C C . PHE 7 7 ? A -8.073 -5.492 11.994 1.000 1 A 65.380 1
ATOM 92 O O . PHE 7 7 ? A -8.285 -4.388 12.489 1.000 1 A 65.380 1
ATOM 93 C CB . PHE 7 7 ? A -7.660 -5.778 9.511 1.000 1 A 65.380 1
ATOM 94 C CG . PHE 7 7 ? A -8.446 -4.550 9.096 1.000 1 A 65.380 1
ATOM 95 C CD1 . PHE 7 7 ? A -9.837 -4.486 9.304 1.000 1 A 65.380 1
ATOM 96 C CD2 . PHE 7 7 ? A -7.772 -3.446 8.539 1.000 1 A 65.380 1
ATOM 97 C CE1 . PHE 7 7 ? A -10.549 -3.326 8.949 1.000 1 A 65.380 1
ATOM 98 C CE2 . PHE 7 7 ? A -8.484 -2.286 8.186 1.000 1 A 65.380 1
ATOM 99 C CZ . PHE 7 7 ? A -9.874 -2.226 8.391 1.000 1 A 65.380 1
ATOM 100 H H . PHE 7 7 ? A -6.089 -7.521 10.479 1.000 1 A 65.380 1
ATOM 101 H HA . PHE 7 7 ? A -6.429 -4.711 10.899 1.000 1 A 65.380 1
ATOM 102 H HB2 . PHE 7 7 ? A -6.877 -5.953 8.773 1.000 1 A 65.380 1
ATOM 103 H HB3 . PHE 7 7 ? A -8.317 -6.648 9.508 1.000 1 A 65.380 1
ATOM 104 H HD1 . PHE 7 7 ? A -10.356 -5.315 9.761 1.000 1 A 65.380 1
ATOM 105 H HD2 . PHE 7 7 ? A -6.701 -3.482 8.403 1.000 1 A 65.380 1
ATOM 106 H HE1 . PHE 7 7 ? A -11.612 -3.275 9.133 1.000 1 A 65.380 1
ATOM 107 H HE2 . PHE 7 7 ? A -7.960 -1.433 7.782 1.000 1 A 65.380 1
ATOM 108 H HZ . PHE 7 7 ? A -10.422 -1.328 8.145 1.000 1 A 65.380 1
ATOM 109 N N . ASN 8 8 ? A -8.681 -6.602 12.428 1.000 1 A 65.640 1
ATOM 110 C CA . ASN 8 8 ? A -9.630 -6.581 13.544 1.000 1 A 65.640 1
ATOM 111 C C . ASN 8 8 ? A -8.970 -6.144 14.857 1.000 1 A 65.640 1
ATOM 112 O O . ASN 8 8 ? A -9.560 -5.361 15.591 1.000 1 A 65.640 1
ATOM 113 C CB . ASN 8 8 ? A -10.303 -7.958 13.695 1.000 1 A 65.640 1
ATOM 114 C CG . ASN 8 8 ? A -11.570 -8.105 12.872 1.000 1 A 65.640 1
ATOM 115 O OD1 . ASN 8 8 ? A -11.942 -7.280 12.056 1.000 1 A 65.640 1
ATOM 116 N ND2 . ASN 8 8 ? A -12.298 -9.180 13.073 1.000 1 A 65.640 1
ATOM 117 H H . ASN 8 8 ? A -8.488 -7.481 11.971 1.000 1 A 65.640 1
ATOM 118 H HA . ASN 8 8 ? A -10.397 -5.834 13.340 1.000 1 A 65.640 1
ATOM 119 H HB2 . ASN 8 8 ? A -9.606 -8.756 13.439 1.000 1 A 65.640 1
ATOM 120 H HB3 . ASN 8 8 ? A -10.592 -8.087 14.738 1.000 1 A 65.640 1
ATOM 121 H HD21 . ASN 8 8 ? A -13.177 -9.216 12.577 1.000 1 A 65.640 1
ATOM 122 H HD22 . ASN 8 8 ? A -12.049 -9.836 13.800 1.000 1 A 65.640 1
ATOM 123 N N . PHE 9 9 ? A -7.743 -6.589 15.142 1.000 1 A 69.590 1
ATOM 124 C CA . PHE 9 9 ? A -7.037 -6.200 16.366 1.000 1 A 69.590 1
ATOM 125 C C . PHE 9 9 ? A -6.730 -4.696 16.400 1.000 1 A 69.590 1
ATOM 126 O O . PHE 9 9 ? A -7.018 -4.023 17.386 1.000 1 A 69.590 1
ATOM 127 C CB . PHE 9 9 ? A -5.764 -7.042 16.501 1.000 1 A 69.590 1
ATOM 128 C CG . PHE 9 9 ? A -5.142 -6.960 17.879 1.000 1 A 69.590 1
ATOM 129 C CD1 . PHE 9 9 ? A -4.084 -6.068 18.138 1.000 1 A 69.590 1
ATOM 130 C CD2 . PHE 9 9 ? A -5.641 -7.773 18.915 1.000 1 A 69.590 1
ATOM 131 C CE1 . PHE 9 9 ? A -3.523 -5.998 19.426 1.000 1 A 69.590 1
ATOM 132 C CE2 . PHE 9 9 ? A -5.080 -7.701 20.202 1.000 1 A 69.590 1
ATOM 133 C CZ . PHE 9 9 ? A -4.019 -6.815 20.457 1.000 1 A 69.590 1
ATOM 134 H H . PHE 9 9 ? A -7.311 -7.263 14.526 1.000 1 A 69.590 1
ATOM 135 H HA . PHE 9 9 ? A -7.682 -6.414 17.219 1.000 1 A 69.590 1
ATOM 136 H HB2 . PHE 9 9 ? A -5.037 -6.731 15.751 1.000 1 A 69.590 1
ATOM 137 H HB3 . PHE 9 9 ? A -6.010 -8.086 16.305 1.000 1 A 69.590 1
ATOM 138 H HD1 . PHE 9 9 ? A -3.706 -5.428 17.355 1.000 1 A 69.590 1
ATOM 139 H HD2 . PHE 9 9 ? A -6.459 -8.452 18.726 1.000 1 A 69.590 1
ATOM 140 H HE1 . PHE 9 9 ? A -2.715 -5.310 19.629 1.000 1 A 69.590 1
ATOM 141 H HE2 . PHE 9 9 ? A -5.465 -8.322 20.997 1.000 1 A 69.590 1
ATOM 142 H HZ . PHE 9 9 ? A -3.592 -6.756 21.447 1.000 1 A 69.590 1
ATOM 143 N N . ILE 10 10 ? A -6.225 -4.145 15.292 1.000 1 A 72.510 1
ATOM 144 C CA . ILE 10 10 ? A -5.961 -2.705 15.165 1.000 1 A 72.510 1
ATOM 145 C C . ILE 10 10 ? A -7.271 -1.907 15.240 1.000 1 A 72.510 1
ATOM 146 O O . ILE 10 10 ? A -7.309 -0.865 15.889 1.000 1 A 72.510 1
ATOM 147 C CB . ILE 10 10 ? A -5.176 -2.429 13.862 1.000 1 A 72.510 1
ATOM 148 C CG1 . ILE 10 10 ? A -3.770 -3.070 13.938 1.000 1 A 72.510 1
ATOM 149 C CG2 . ILE 10 10 ? A -5.035 -0.920 13.593 1.000 1 A 72.510 1
ATOM 150 C CD1 . ILE 10 10 ? A -3.034 -3.109 12.593 1.000 1 A 72.510 1
ATOM 151 H H . ILE 10 10 ? A -6.015 -4.747 14.509 1.000 1 A 72.510 1
ATOM 152 H HA . ILE 10 10 ? A -5.349 -2.384 16.008 1.000 1 A 72.510 1
ATOM 153 H HB . ILE 10 10 ? A -5.724 -2.874 13.032 1.000 1 A 72.510 1
ATOM 154 H HG12 . ILE 10 10 ? A -3.847 -4.099 14.292 1.000 1 A 72.510 1
ATOM 155 H HG13 . ILE 10 10 ? A -3.161 -2.527 14.660 1.000 1 A 72.510 1
ATOM 156 H HG21 . ILE 10 10 ? A -4.494 -0.741 12.664 1.000 1 A 72.510 1
ATOM 157 H HG22 . ILE 10 10 ? A -4.502 -0.446 14.417 1.000 1 A 72.510 1
ATOM 158 H HG23 . ILE 10 10 ? A -6.017 -0.459 13.486 1.000 1 A 72.510 1
ATOM 159 H HD11 . ILE 10 10 ? A -3.656 -3.597 11.843 1.000 1 A 72.510 1
ATOM 160 H HD12 . ILE 10 10 ? A -2.110 -3.675 12.708 1.000 1 A 72.510 1
ATOM 161 H HD13 . ILE 10 10 ? A -2.779 -2.102 12.261 1.000 1 A 72.510 1
ATOM 162 N N . ALA 11 11 ? A -8.352 -2.401 14.629 1.000 1 A 65.980 1
ATOM 163 C CA . ALA 11 11 ? A -9.660 -1.753 14.685 1.000 1 A 65.980 1
ATOM 164 C C . ALA 11 11 ? A -10.222 -1.697 16.115 1.000 1 A 65.980 1
ATOM 165 O O . ALA 11 11 ? A -10.718 -0.647 16.510 1.000 1 A 65.980 1
ATOM 166 C CB . ALA 11 11 ? A -10.617 -2.465 13.722 1.000 1 A 65.980 1
ATOM 167 H H . ALA 11 11 ? A -8.269 -3.255 14.095 1.000 1 A 65.980 1
ATOM 168 H HA . ALA 11 11 ? A -9.546 -0.722 14.350 1.000 1 A 65.980 1
ATOM 169 H HB1 . ALA 11 11 ? A -10.755 -3.501 14.028 1.000 1 A 65.980 1
ATOM 170 H HB2 . ALA 11 11 ? A -10.214 -2.437 12.709 1.000 1 A 65.980 1
ATOM 171 H HB3 . ALA 11 11 ? A -11.583 -1.961 13.734 1.000 1 A 65.980 1
ATOM 172 N N . CYS 12 12 ? A -10.088 -2.770 16.901 1.000 1 A 67.610 1
ATOM 173 C CA . CYS 12 12 ? A -10.515 -2.794 18.304 1.000 1 A 67.610 1
ATOM 174 C C . CYS 12 12 ? A -9.683 -1.862 19.199 1.000 1 A 67.610 1
ATOM 175 O O . CYS 12 12 ? A -10.218 -1.290 20.143 1.000 1 A 67.610 1
ATOM 176 C CB . CYS 12 12 ? A -10.428 -4.234 18.832 1.000 1 A 67.610 1
ATOM 177 S SG . CYS 12 12 ? A -11.651 -5.303 18.019 1.000 1 A 67.610 1
ATOM 178 H H . CYS 12 12 ? A -9.731 -3.627 16.503 1.000 1 A 67.610 1
ATOM 179 H HA . CYS 12 12 ? A -11.548 -2.453 18.374 1.000 1 A 67.610 1
ATOM 180 H HB2 . CYS 12 12 ? A -9.423 -4.624 18.671 1.000 1 A 67.610 1
ATOM 181 H HB3 . CYS 12 12 ? A -10.630 -4.221 19.903 1.000 1 A 67.610 1
ATOM 182 H HG . CYS 12 12 ? A -11.425 -6.389 18.765 1.000 1 A 67.610 1
ATOM 183 N N . VAL 13 13 ? A -8.385 -1.701 18.911 1.000 1 A 72.490 1
ATOM 184 C CA . VAL 13 13 ? A -7.501 -0.791 19.662 1.000 1 A 72.490 1
ATOM 185 C C . VAL 13 13 ? A -7.768 0.675 19.304 1.000 1 A 72.490 1
ATOM 186 O O . VAL 13 13 ? A -7.775 1.523 20.192 1.000 1 A 72.490 1
ATOM 187 C CB . VAL 13 13 ? A -6.019 -1.167 19.448 1.000 1 A 72.490 1
ATOM 188 C CG1 . VAL 13 13 ? A -5.047 -0.161 20.081 1.000 1 A 72.490 1
ATOM 189 C CG2 . VAL 13 13 ? A -5.704 -2.534 20.073 1.000 1 A 72.490 1
ATOM 190 H H . VAL 13 13 ? A -7.988 -2.254 18.165 1.000 1 A 72.490 1
ATOM 191 H HA . VAL 13 13 ? A -7.719 -0.890 20.726 1.000 1 A 72.490 1
ATOM 192 H HB . VAL 13 13 ? A -5.814 -1.216 18.379 1.000 1 A 72.490 1
ATOM 193 H HG11 . VAL 13 13 ? A -5.127 0.807 19.586 1.000 1 A 72.490 1
ATOM 194 H HG12 . VAL 13 13 ? A -4.021 -0.513 19.972 1.000 1 A 72.490 1
ATOM 195 H HG13 . VAL 13 13 ? A -5.274 -0.038 21.140 1.000 1 A 72.490 1
ATOM 196 H HG21 . VAL 13 13 ? A -4.684 -2.830 19.827 1.000 1 A 72.490 1
ATOM 197 H HG22 . VAL 13 13 ? A -5.813 -2.483 21.156 1.000 1 A 72.490 1
ATOM 198 H HG23 . VAL 13 13 ? A -6.385 -3.298 19.696 1.000 1 A 72.490 1
ATOM 199 N N . LEU 14 14 ? A -7.997 0.992 18.023 1.000 1 A 68.630 1
ATOM 200 C CA . LEU 14 14 ? A -8.255 2.371 17.582 1.000 1 A 68.630 1
ATOM 201 C C . LEU 14 14 ? A -9.691 2.844 17.835 1.000 1 A 68.630 1
ATOM 202 O O . LEU 14 14 ? A -9.906 4.040 18.026 1.000 1 A 68.630 1
ATOM 203 C CB . LEU 14 14 ? A -7.909 2.544 16.089 1.000 1 A 68.630 1
ATOM 204 C CG . LEU 14 14 ? A -6.512 3.151 15.850 1.000 1 A 68.630 1
ATOM 205 C CD1 . LEU 14 14 ? A -5.516 2.103 15.362 1.000 1 A 68.630 1
ATOM 206 C CD2 . LEU 14 14 ? A -6.591 4.259 14.797 1.000 1 A 68.630 1
ATOM 207 H H . LEU 14 14 ? A -7.957 0.259 17.330 1.000 1 A 68.630 1
ATOM 208 H HA . LEU 14 14 ? A -7.632 3.042 18.174 1.000 1 A 68.630 1
ATOM 209 H HB2 . LEU 14 14 ? A -8.025 1.602 15.553 1.000 1 A 68.630 1
ATOM 210 H HB3 . LEU 14 14 ? A -8.645 3.225 15.661 1.000 1 A 68.630 1
ATOM 211 H HG . LEU 14 14 ? A -6.125 3.595 16.767 1.000 1 A 68.630 1
ATOM 212 H HD11 . LEU 14 14 ? A -4.525 2.548 15.276 1.000 1 A 68.630 1
ATOM 213 H HD12 . LEU 14 14 ? A -5.476 1.286 16.082 1.000 1 A 68.630 1
ATOM 214 H HD13 . LEU 14 14 ? A -5.832 1.719 14.392 1.000 1 A 68.630 1
ATOM 215 H HD21 . LEU 14 14 ? A -6.984 3.862 13.861 1.000 1 A 68.630 1
ATOM 216 H HD22 . LEU 14 14 ? A -5.599 4.679 14.631 1.000 1 A 68.630 1
ATOM 217 H HD23 . LEU 14 14 ? A -7.246 5.051 15.159 1.000 1 A 68.630 1
ATOM 218 N N . PHE 15 15 ? A -10.670 1.941 17.812 1.000 1 A 62.890 1
ATOM 219 C CA . PHE 15 15 ? A -12.080 2.264 17.996 1.000 1 A 62.890 1
ATOM 220 C C . PHE 15 15 ? A -12.645 1.398 19.131 1.000 1 A 62.890 1
ATOM 221 O O . PHE 15 15 ? A -13.083 0.276 18.880 1.000 1 A 62.890 1
ATOM 222 C CB . PHE 15 15 ? A -12.838 2.096 16.669 1.000 1 A 62.890 1
ATOM 223 C CG . PHE 15 15 ? A -12.350 3.015 15.563 1.000 1 A 62.890 1
ATOM 224 C CD1 . PHE 15 15 ? A -12.803 4.346 15.497 1.000 1 A 62.890 1
ATOM 225 C CD2 . PHE 15 15 ? A -11.419 2.549 14.617 1.000 1 A 62.890 1
ATOM 226 C CE1 . PHE 15 15 ? A -12.332 5.204 14.487 1.000 1 A 62.890 1
ATOM 227 C CE2 . PHE 15 15 ? A -10.948 3.405 13.605 1.000 1 A 62.890 1
ATOM 228 C CZ . PHE 15 15 ? A -11.405 4.734 13.540 1.000 1 A 62.890 1
ATOM 229 H H . PHE 15 15 ? A -10.439 0.975 17.628 1.000 1 A 62.890 1
ATOM 230 H HA . PHE 15 15 ? A -12.184 3.314 18.267 1.000 1 A 62.890 1
ATOM 231 H HB2 . PHE 15 15 ? A -12.765 1.061 16.334 1.000 1 A 62.890 1
ATOM 232 H HB3 . PHE 15 15 ? A -13.894 2.302 16.846 1.000 1 A 62.890 1
ATOM 233 H HD1 . PHE 15 15 ? A -13.502 4.712 16.235 1.000 1 A 62.890 1
ATOM 234 H HD2 . PHE 15 15 ? A -11.053 1.535 14.686 1.000 1 A 62.890 1
ATOM 235 H HE1 . PHE 15 15 ? A -12.670 6.229 14.454 1.000 1 A 62.890 1
ATOM 236 H HE2 . PHE 15 15 ? A -10.220 3.046 12.893 1.000 1 A 62.890 1
ATOM 237 H HZ . PHE 15 15 ? A -11.031 5.399 12.776 1.000 1 A 62.890 1
ATOM 238 N N . PRO 16 16 ? A -12.683 1.903 20.383 1.000 1 A 63.070 1
ATOM 239 C CA . PRO 16 16 ? A -13.301 1.182 21.503 1.000 1 A 63.070 1
ATOM 240 C C . PRO 16 16 ? A -14.821 1.015 21.326 1.000 1 A 63.070 1
ATOM 241 O O . PRO 16 16 ? A -15.473 0.296 22.077 1.000 1 A 63.070 1
ATOM 242 C CB . PRO 16 16 ? A -12.950 2.002 22.749 1.000 1 A 63.070 1
ATOM 243 C CG . PRO 16 16 ? A -12.766 3.422 22.215 1.000 1 A 63.070 1
ATOM 244 C CD . PRO 16 16 ? A -12.179 3.198 20.824 1.000 1 A 63.070 1
ATOM 245 H HA . PRO 16 16 ? A -12.860 0.189 21.587 1.000 1 A 63.070 1
ATOM 246 H HB2 . PRO 16 16 ? A -12.003 1.647 23.155 1.000 1 A 63.070 1
ATOM 247 H HB3 . PRO 16 16 ? A -13.726 1.954 23.513 1.000 1 A 63.070 1
ATOM 248 H HG2 . PRO 16 16 ? A -13.738 3.908 22.128 1.000 1 A 63.070 1
ATOM 249 H HG3 . PRO 16 16 ? A -12.097 4.008 22.845 1.000 1 A 63.070 1
ATOM 250 H HD2 . PRO 16 16 ? A -12.492 4.011 20.168 1.000 1 A 63.070 1
ATOM 251 H HD3 . PRO 16 16 ? A -11.091 3.160 20.881 1.000 1 A 63.070 1
ATOM 252 N N . THR 17 17 ? A -15.395 1.684 20.325 1.000 1 A 66.220 1
ATOM 253 C CA . THR 17 17 ? A -16.778 1.539 19.885 1.000 1 A 66.220 1
ATOM 254 C C . THR 17 17 ? A -16.842 0.633 18.654 1.000 1 A 66.220 1
ATOM 255 O O . THR 17 17 ? A -16.086 0.851 17.704 1.000 1 A 66.220 1
ATOM 256 C CB . THR 17 17 ? A -17.415 2.905 19.579 1.000 1 A 66.220 1
ATOM 257 O OG1 . THR 17 17 ? A -16.456 3.885 19.234 1.000 1 A 66.220 1
ATOM 258 C CG2 . THR 17 17 ? A -18.153 3.439 20.803 1.000 1 A 66.220 1
ATOM 259 H H . THR 17 17 ? A -14.791 2.204 19.704 1.000 1 A 66.220 1
ATOM 260 H HA . THR 17 17 ? A -17.339 1.076 20.697 1.000 1 A 66.220 1
ATOM 261 H HB . THR 17 17 ? A -18.131 2.799 18.763 1.000 1 A 66.220 1
ATOM 262 H HG1 . THR 17 17 ? A -16.104 4.230 20.058 1.000 1 A 66.220 1
ATOM 263 H HG21 . THR 17 17 ? A -18.975 2.770 21.055 1.000 1 A 66.220 1
ATOM 264 H HG22 . THR 17 17 ? A -17.475 3.506 21.654 1.000 1 A 66.220 1
ATOM 265 H HG23 . THR 17 17 ? A -18.562 4.425 20.584 1.000 1 A 66.220 1
ATOM 266 N N . PRO 18 18 ? A -17.751 -0.363 18.620 1.000 1 A 61.550 1
ATOM 267 C CA . PRO 18 18 ? A -17.935 -1.202 17.446 1.000 1 A 61.550 1
ATOM 268 C C . PRO 18 18 ? A -18.285 -0.308 16.257 1.000 1 A 61.550 1
ATOM 269 O O . PRO 18 18 ? A -19.337 0.333 16.228 1.000 1 A 61.550 1
ATOM 270 C CB . PRO 18 18 ? A -19.048 -2.196 17.803 1.000 1 A 61.550 1
ATOM 271 C CG . PRO 18 18 ? A -19.823 -1.495 18.918 1.000 1 A 61.550 1
ATOM 272 C CD . PRO 18 18 ? A -18.753 -0.672 19.629 1.000 1 A 61.550 1
ATOM 273 H HA . PRO 18 18 ? A -17.017 -1.750 17.232 1.000 1 A 61.550 1
ATOM 274 H HB2 . PRO 18 18 ? A -19.686 -2.428 16.950 1.000 1 A 61.550 1
ATOM 275 H HB3 . PRO 18 18 ? A -18.601 -3.109 18.198 1.000 1 A 61.550 1
ATOM 276 H HG2 . PRO 18 18 ? A -20.568 -0.828 18.483 1.000 1 A 61.550 1
ATOM 277 H HG3 . PRO 18 18 ? A -20.297 -2.208 19.593 1.000 1 A 61.550 1
ATOM 278 H HD2 . PRO 18 18 ? A -18.295 -1.263 20.422 1.000 1 A 61.550 1
ATOM 279 H HD3 . PRO 18 18 ? A -19.205 0.230 20.041 1.000 1 A 61.550 1
ATOM 280 N N . LEU 19 19 ? A -17.377 -0.238 15.281 1.000 1 A 63.010 1
ATOM 281 C CA . LEU 19 19 ? A -17.640 0.435 14.017 1.000 1 A 63.010 1
ATOM 282 C C . LEU 19 19 ? A -18.921 -0.167 13.436 1.000 1 A 63.010 1
ATOM 283 O O . LEU 19 19 ? A -18.995 -1.376 13.209 1.000 1 A 63.010 1
ATOM 284 C CB . LEU 19 19 ? A -16.449 0.251 13.057 1.000 1 A 63.010 1
ATOM 285 C CG . LEU 19 19 ? A -15.211 1.102 13.402 1.000 1 A 63.010 1
ATOM 286 C CD1 . LEU 19 19 ? A -14.018 0.618 12.577 1.000 1 A 63.010 1
ATOM 287 C CD2 . LEU 19 19 ? A -15.436 2.583 13.082 1.000 1 A 63.010 1
ATOM 288 H H . LEU 19 19 ? A -16.481 -0.680 15.431 1.000 1 A 63.010 1
ATOM 289 H HA . LEU 19 19 ? A -17.805 1.495 14.208 1.000 1 A 63.010 1
ATOM 290 H HB2 . LEU 19 19 ? A -16.769 0.501 12.045 1.000 1 A 63.010 1
ATOM 291 H HB3 . LEU 19 19 ? A -16.170 -0.802 13.058 1.000 1 A 63.010 1
ATOM 292 H HG . LEU 19 19 ? A -14.968 0.992 14.459 1.000 1 A 63.010 1
ATOM 293 H HD11 . LEU 19 19 ? A -14.236 0.697 11.512 1.000 1 A 63.010 1
ATOM 294 H HD12 . LEU 19 19 ? A -13.796 -0.419 12.831 1.000 1 A 63.010 1
ATOM 295 H HD13 . LEU 19 19 ? A -13.143 1.223 12.814 1.000 1 A 63.010 1
ATOM 296 H HD21 . LEU 19 19 ? A -15.729 2.713 12.041 1.000 1 A 63.010 1
ATOM 297 H HD22 . LEU 19 19 ? A -16.201 2.989 13.745 1.000 1 A 63.010 1
ATOM 298 H HD23 . LEU 19 19 ? A -14.515 3.135 13.269 1.000 1 A 63.010 1
ATOM 299 N N . ILE 20 20 ? A -19.928 0.682 13.211 1.000 1 A 67.750 1
ATOM 300 C CA . ILE 20 20 ? A -21.196 0.284 12.592 1.000 1 A 67.750 1
ATOM 301 C C . ILE 20 20 ? A -20.852 -0.533 11.333 1.000 1 A 67.750 1
ATOM 302 O O . ILE 20 20 ? A -19.969 -0.110 10.579 1.000 1 A 67.750 1
ATOM 303 C CB . ILE 20 20 ? A -22.066 1.521 12.260 1.000 1 A 67.750 1
ATOM 304 C CG1 . ILE 20 20 ? A -22.325 2.374 13.526 1.000 1 A 67.750 1
ATOM 305 C CG2 . ILE 20 20 ? A -23.414 1.100 11.640 1.000 1 A 67.750 1
ATOM 306 C CD1 . ILE 20 20 ? A -23.017 3.716 13.254 1.000 1 A 67.750 1
ATOM 307 H H . ILE 20 20 ? A -19.831 1.626 13.557 1.000 1 A 67.750 1
ATOM 308 H HA . ILE 20 20 ? A -21.730 -0.332 13.315 1.000 1 A 67.750 1
ATOM 309 H HB . ILE 20 20 ? A -21.528 2.131 11.534 1.000 1 A 67.750 1
ATOM 310 H HG12 . ILE 20 20 ? A -22.926 1.803 14.233 1.000 1 A 67.750 1
ATOM 311 H HG13 . ILE 20 20 ? A -21.379 2.611 14.013 1.000 1 A 67.750 1
ATOM 312 H HG21 . ILE 20 20 ? A -24.006 0.552 12.373 1.000 1 A 67.750 1
ATOM 313 H HG22 . ILE 20 20 ? A -23.977 1.980 11.327 1.000 1 A 67.750 1
ATOM 314 H HG23 . ILE 20 20 ? A -23.266 0.477 10.758 1.000 1 A 67.750 1
ATOM 315 H HD11 . ILE 20 20 ? A -24.045 3.560 12.928 1.000 1 A 67.750 1
ATOM 316 H HD12 . ILE 20 20 ? A -22.469 4.271 12.493 1.000 1 A 67.750 1
ATOM 317 H HD13 . ILE 20 20 ? A -23.035 4.301 14.173 1.000 1 A 67.750 1
ATOM 318 N N . PRO 21 21 ? A -21.507 -1.679 11.064 1.000 1 A 66.580 1
ATOM 319 C CA . PRO 21 21 ? A -21.173 -2.543 9.926 1.000 1 A 66.580 1
ATOM 320 C C . PRO 21 21 ? A -21.076 -1.796 8.584 1.000 1 A 66.580 1
ATOM 321 O O . PRO 21 21 ? A -20.274 -2.145 7.717 1.000 1 A 66.580 1
ATOM 322 C CB . PRO 21 21 ? A -22.286 -3.595 9.901 1.000 1 A 66.580 1
ATOM 323 C CG . PRO 21 21 ? A -22.702 -3.712 11.366 1.000 1 A 66.580 1
ATOM 324 C CD . PRO 21 21 ? A -22.520 -2.299 11.906 1.000 1 A 66.580 1
ATOM 325 H HA . PRO 21 21 ? A -20.220 -3.031 10.131 1.000 1 A 66.580 1
ATOM 326 H HB2 . PRO 21 21 ? A -23.132 -3.235 9.316 1.000 1 A 66.580 1
ATOM 327 H HB3 . PRO 21 21 ? A -21.930 -4.547 9.507 1.000 1 A 66.580 1
ATOM 328 H HG2 . PRO 21 21 ? A -23.732 -4.055 11.469 1.000 1 A 66.580 1
ATOM 329 H HG3 . PRO 21 21 ? A -22.022 -4.389 11.884 1.000 1 A 66.580 1
ATOM 330 H HD2 . PRO 21 21 ? A -23.459 -1.752 11.824 1.000 1 A 66.580 1
ATOM 331 H HD3 . PRO 21 21 ? A -22.200 -2.351 12.947 1.000 1 A 66.580 1
ATOM 332 N N . SER 22 22 ? A -21.838 -0.707 8.438 1.000 1 A 68.270 1
ATOM 333 C CA . SER 22 22 ? A -21.765 0.214 7.301 1.000 1 A 68.270 1
ATOM 334 C C . SER 22 22 ? A -20.395 0.894 7.156 1.000 1 A 68.270 1
ATOM 335 O O . SER 22 22 ? A -19.872 0.978 6.043 1.000 1 A 68.270 1
ATOM 336 C CB . SER 22 22 ? A -22.865 1.274 7.440 1.000 1 A 68.270 1
ATOM 337 O OG . SER 22 22 ? A -22.699 2.008 8.640 1.000 1 A 68.270 1
ATOM 338 H H . SER 22 22 ? A -22.430 -0.438 9.210 1.000 1 A 68.270 1
ATOM 339 H HA . SER 22 22 ? A -21.949 -0.350 6.387 1.000 1 A 68.270 1
ATOM 340 H HB2 . SER 22 22 ? A -22.822 1.952 6.588 1.000 1 A 68.270 1
ATOM 341 H HB3 . SER 22 22 ? A -23.838 0.783 7.449 1.000 1 A 68.270 1
ATOM 342 H HG . SER 22 22 ? A -23.413 2.644 8.723 1.000 1 A 68.270 1
ATOM 343 N N . MET 23 23 ? A -19.780 1.330 8.259 1.000 1 A 66.140 1
ATOM 344 C CA . MET 23 23 ? A -18.430 1.899 8.286 1.000 1 A 66.140 1
ATOM 345 C C . MET 23 23 ? A -17.359 0.832 8.047 1.000 1 A 66.140 1
ATOM 346 O O . MET 23 23 ? A -16.425 1.059 7.277 1.000 1 A 66.140 1
ATOM 347 C CB . MET 23 23 ? A -18.167 2.657 9.597 1.000 1 A 66.140 1
ATOM 348 C CG . MET 23 23 ? A -19.052 3.904 9.715 1.000 1 A 66.140 1
ATOM 349 S SD . MET 23 23 ? A -18.318 5.248 10.685 1.000 1 A 66.140 1
ATOM 350 C CE . MET 23 23 ? A -18.557 4.635 12.374 1.000 1 A 66.140 1
ATOM 351 H H . MET 23 23 ? A -20.240 1.168 9.144 1.000 1 A 66.140 1
ATOM 352 H HA . MET 23 23 ? A -18.346 2.619 7.472 1.000 1 A 66.140 1
ATOM 353 H HB2 . MET 23 23 ? A -18.321 2.009 10.460 1.000 1 A 66.140 1
ATOM 354 H HB3 . MET 23 23 ? A -17.126 2.979 9.594 1.000 1 A 66.140 1
ATOM 355 H HG2 . MET 23 23 ? A -20.019 3.629 10.138 1.000 1 A 66.140 1
ATOM 356 H HG3 . MET 23 23 ? A -19.226 4.300 8.715 1.000 1 A 66.140 1
ATOM 357 H HE1 . MET 23 23 ? A -19.622 4.557 12.590 1.000 1 A 66.140 1
ATOM 358 H HE2 . MET 23 23 ? A -18.091 3.655 12.481 1.000 1 A 66.140 1
ATOM 359 H HE3 . MET 23 23 ? A -18.100 5.330 13.079 1.000 1 A 66.140 1
ATOM 360 N N . ALA 24 24 ? A -17.533 -0.365 8.613 1.000 1 A 67.600 1
ATOM 361 C CA . ALA 24 24 ? A -16.620 -1.484 8.382 1.000 1 A 67.600 1
ATOM 362 C C . ALA 24 24 ? A -16.558 -1.902 6.898 1.000 1 A 67.600 1
ATOM 363 O O . ALA 24 24 ? A -15.504 -2.318 6.422 1.000 1 A 67.600 1
ATOM 364 C CB . ALA 24 24 ? A -17.041 -2.649 9.282 1.000 1 A 67.600 1
ATOM 365 H H . ALA 24 24 ? A -18.313 -0.495 9.242 1.000 1 A 67.600 1
ATOM 366 H HA . ALA 24 24 ? A -15.616 -1.176 8.674 1.000 1 A 67.600 1
ATOM 367 H HB1 . ALA 24 24 ? A -16.324 -3.464 9.186 1.000 1 A 67.600 1
ATOM 368 H HB2 . ALA 24 24 ? A -17.067 -2.326 10.323 1.000 1 A 67.600 1
ATOM 369 H HB3 . ALA 24 24 ? A -18.028 -3.011 8.994 1.000 1 A 67.600 1
ATOM 370 N N . MET 25 25 ? A -17.650 -1.742 6.139 1.000 1 A 68.530 1
ATOM 371 C CA . MET 25 25 ? A -17.671 -1.972 4.687 1.000 1 A 68.530 1
ATOM 372 C C . MET 25 25 ? A -17.208 -0.763 3.856 1.000 1 A 68.530 1
ATOM 373 O O . MET 25 25 ? A -16.672 -0.942 2.755 1.000 1 A 68.530 1
ATOM 374 C CB . MET 25 25 ? A -19.084 -2.377 4.248 1.000 1 A 68.530 1
ATOM 375 C CG . MET 25 25 ? A -19.468 -3.785 4.706 1.000 1 A 68.530 1
ATOM 376 S SD . MET 25 25 ? A -21.060 -4.314 4.019 1.000 1 A 68.530 1
ATOM 377 C CE . MET 25 25 ? A -21.116 -6.020 4.630 1.000 1 A 68.530 1
ATOM 378 H H . MET 25 25 ? A -18.511 -1.495 6.606 1.000 1 A 68.530 1
ATOM 379 H HA . MET 25 25 ? A -16.994 -2.794 4.451 1.000 1 A 68.530 1
ATOM 380 H HB2 . MET 25 25 ? A -19.128 -2.360 3.159 1.000 1 A 68.530 1
ATOM 381 H HB3 . MET 25 25 ? A -19.809 -1.660 4.630 1.000 1 A 68.530 1
ATOM 382 H HG2 . MET 25 25 ? A -18.700 -4.487 4.382 1.000 1 A 68.530 1
ATOM 383 H HG3 . MET 25 25 ? A -19.525 -3.811 5.794 1.000 1 A 68.530 1
ATOM 384 H HE1 . MET 25 25 ? A -20.266 -6.583 4.245 1.000 1 A 68.530 1
ATOM 385 H HE2 . MET 25 25 ? A -21.085 -6.019 5.719 1.000 1 A 68.530 1
ATOM 386 H HE3 . MET 25 25 ? A -22.041 -6.493 4.301 1.000 1 A 68.530 1
ATOM 387 N N . SER 26 26 ? A -17.412 0.469 4.330 1.000 1 A 71.560 1
ATOM 388 C CA . SER 26 26 ? A -17.066 1.680 3.572 1.000 1 A 71.560 1
ATOM 389 C C . SER 26 26 ? A -15.561 1.962 3.568 1.000 1 A 71.560 1
ATOM 390 O O . SER 26 26 ? A -15.008 2.289 2.513 1.000 1 A 71.560 1
ATOM 391 C CB . SER 26 26 ? A -17.858 2.887 4.085 1.000 1 A 71.560 1
ATOM 392 O OG . SER 26 26 ? A -17.388 3.289 5.349 1.000 1 A 71.560 1
ATOM 393 H H . SER 26 26 ? A -17.854 0.584 5.231 1.000 1 A 71.560 1
ATOM 394 H HA . SER 26 26 ? A -17.364 1.526 2.535 1.000 1 A 71.560 1
ATOM 395 H HB2 . SER 26 26 ? A -17.740 3.715 3.386 1.000 1 A 71.560 1
ATOM 396 H HB3 . SER 26 26 ? A -18.915 2.630 4.149 1.000 1 A 71.560 1
ATOM 397 H HG . SER 26 26 ? A -17.962 3.973 5.703 1.000 1 A 71.560 1
ATOM 398 N N . ILE 27 27 ? A -14.882 1.746 4.700 1.000 1 A 74.260 1
ATOM 399 C CA . ILE 27 27 ? A -13.432 1.935 4.858 1.000 1 A 74.260 1
ATOM 400 C C . ILE 27 27 ? A -12.631 1.112 3.829 1.000 1 A 74.260 1
ATOM 401 O O . ILE 27 27 ? A -11.890 1.715 3.043 1.000 1 A 74.260 1
ATOM 402 C CB . ILE 27 27 ? A -13.003 1.660 6.322 1.000 1 A 74.260 1
ATOM 403 C CG1 . ILE 27 27 ? A -13.613 2.707 7.282 1.000 1 A 74.260 1
ATOM 404 C CG2 . ILE 27 27 ? A -11.468 1.670 6.452 1.000 1 A 74.260 1
ATOM 405 C CD1 . ILE 27 27 ? A -13.548 2.292 8.759 1.000 1 A 74.260 1
ATOM 406 H H . ILE 27 27 ? A -15.422 1.532 5.526 1.000 1 A 74.260 1
ATOM 407 H HA . ILE 27 27 ? A -13.212 2.982 4.652 1.000 1 A 74.260 1
ATOM 408 H HB . ILE 27 27 ? A -13.369 0.676 6.618 1.000 1 A 74.260 1
ATOM 409 H HG12 . ILE 27 27 ? A -14.661 2.876 7.036 1.000 1 A 74.260 1
ATOM 410 H HG13 . ILE 27 27 ? A -13.097 3.660 7.158 1.000 1 A 74.260 1
ATOM 411 H HG21 . ILE 27 27 ? A -11.033 0.838 5.897 1.000 1 A 74.260 1
ATOM 412 H HG22 . ILE 27 27 ? A -11.173 1.541 7.493 1.000 1 A 74.260 1
ATOM 413 H HG23 . ILE 27 27 ? A -11.063 2.613 6.087 1.000 1 A 74.260 1
ATOM 414 H HD11 . ILE 27 27 ? A -12.517 2.257 9.110 1.000 1 A 74.260 1
ATOM 415 H HD12 . ILE 27 27 ? A -14.091 3.021 9.360 1.000 1 A 74.260 1
ATOM 416 H HD13 . ILE 27 27 ? A -14.012 1.314 8.892 1.000 1 A 74.260 1
ATOM 417 N N . PRO 28 28 ? A -12.789 -0.226 3.719 1.000 1 A 74.370 1
ATOM 418 C CA . PRO 28 28 ? A -12.039 -1.013 2.743 1.000 1 A 74.370 1
ATOM 419 C C . PRO 28 28 ? A -12.389 -0.632 1.301 1.000 1 A 74.370 1
ATOM 420 O O . PRO 28 28 ? A -11.508 -0.641 0.440 1.000 1 A 74.370 1
ATOM 421 C CB . PRO 28 28 ? A -12.357 -2.481 3.052 1.000 1 A 74.370 1
ATOM 422 C CG . PRO 28 28 ? A -13.704 -2.423 3.762 1.000 1 A 74.370 1
ATOM 423 C CD . PRO 28 28 ? A -13.620 -1.105 4.526 1.000 1 A 74.370 1
ATOM 424 H HA . PRO 28 28 ? A -10.971 -0.850 2.889 1.000 1 A 74.370 1
ATOM 425 H HB2 . PRO 28 28 ? A -12.400 -3.095 2.153 1.000 1 A 74.370 1
ATOM 426 H HB3 . PRO 28 28 ? A -11.608 -2.874 3.739 1.000 1 A 74.370 1
ATOM 427 H HG2 . PRO 28 28 ? A -14.506 -2.380 3.025 1.000 1 A 74.370 1
ATOM 428 H HG3 . PRO 28 28 ? A -13.845 -3.271 4.433 1.000 1 A 74.370 1
ATOM 429 H HD2 . PRO 28 28 ? A -14.624 -0.709 4.678 1.000 1 A 74.370 1
ATOM 430 H HD3 . PRO 28 28 ? A -13.138 -1.280 5.488 1.000 1 A 74.370 1
ATOM 431 N N . ARG 29 29 ? A -13.634 -0.222 1.012 1.000 1 A 77.770 1
ATOM 432 C CA . ARG 29 29 ? A -14.013 0.283 -0.321 1.000 1 A 77.770 1
ATOM 433 C C . ARG 29 29 ? A -13.281 1.581 -0.668 1.000 1 A 77.770 1
ATOM 434 O O . ARG 29 29 ? A -12.793 1.712 -1.794 1.000 1 A 77.770 1
ATOM 435 C CB . ARG 29 29 ? A -15.536 0.473 -0.416 1.000 1 A 77.770 1
ATOM 436 C CG . ARG 29 29 ? A -16.296 -0.851 -0.580 1.000 1 A 77.770 1
ATOM 437 C CD . ARG 29 29 ? A -17.806 -0.582 -0.642 1.000 1 A 77.770 1
ATOM 438 N NE . ARG 29 29 ? A -18.580 -1.813 -0.894 1.000 1 A 77.770 1
ATOM 439 C CZ . ARG 29 29 ? A -19.880 -1.889 -1.138 1.000 1 A 77.770 1
ATOM 440 N NH1 . ARG 29 29 ? A -20.642 -0.831 -1.192 1.000 1 A 77.770 1
ATOM 441 N NH2 . ARG 29 29 ? A -20.451 -3.043 -1.328 1.000 1 A 77.770 1
ATOM 442 H H . ARG 29 29 ? A -14.313 -0.203 1.760 1.000 1 A 77.770 1
ATOM 443 H HA . ARG 29 29 ? A -13.699 -0.444 -1.070 1.000 1 A 77.770 1
ATOM 444 H HB2 . ARG 29 29 ? A -15.898 0.991 0.472 1.000 1 A 77.770 1
ATOM 445 H HB3 . ARG 29 29 ? A -15.756 1.097 -1.282 1.000 1 A 77.770 1
ATOM 446 H HG2 . ARG 29 29 ? A -15.977 -1.335 -1.503 1.000 1 A 77.770 1
ATOM 447 H HG3 . ARG 29 29 ? A -16.078 -1.512 0.259 1.000 1 A 77.770 1
ATOM 448 H HD2 . ARG 29 29 ? A -18.119 -0.153 0.310 1.000 1 A 77.770 1
ATOM 449 H HD3 . ARG 29 29 ? A -18.004 0.137 -1.437 1.000 1 A 77.770 1
ATOM 450 H HE . ARG 29 29 ? A -18.092 -2.691 -0.788 1.000 1 A 77.770 1
ATOM 451 H HH11 . ARG 29 29 ? A -21.635 -0.932 -1.346 1.000 1 A 77.770 1
ATOM 452 H HH12 . ARG 29 29 ? A -20.262 0.070 -0.940 1.000 1 A 77.770 1
ATOM 453 H HH21 . ARG 29 29 ? A -21.449 -3.102 -1.472 1.000 1 A 77.770 1
ATOM 454 H HH22 . ARG 29 29 ? A -19.928 -3.904 -1.245 1.000 1 A 77.770 1
ATOM 455 N N . MET 30 30 ? A -13.175 2.522 0.270 1.000 1 A 77.300 1
ATOM 456 C CA . MET 30 30 ? A -12.425 3.770 0.076 1.000 1 A 77.300 1
ATOM 457 C C . MET 30 30 ? A -10.926 3.511 -0.093 1.000 1 A 77.300 1
ATOM 458 O O . MET 30 30 ? A -10.315 4.061 -1.014 1.000 1 A 77.300 1
ATOM 459 C CB . MET 30 30 ? A -12.666 4.734 1.246 1.000 1 A 77.300 1
ATOM 460 C CG . MET 30 30 ? A -14.054 5.376 1.177 1.000 1 A 77.300 1
ATOM 461 S SD . MET 30 30 ? A -14.387 6.575 2.492 1.000 1 A 77.300 1
ATOM 462 C CE . MET 30 30 ? A -13.273 7.938 2.056 1.000 1 A 77.300 1
ATOM 463 H H . MET 30 30 ? A -13.605 2.355 1.168 1.000 1 A 77.300 1
ATOM 464 H HA . MET 30 30 ? A -12.767 4.251 -0.840 1.000 1 A 77.300 1
ATOM 465 H HB2 . MET 30 30 ? A -12.553 4.211 2.196 1.000 1 A 77.300 1
ATOM 466 H HB3 . MET 30 30 ? A -11.920 5.527 1.201 1.000 1 A 77.300 1
ATOM 467 H HG2 . MET 30 30 ? A -14.806 4.589 1.246 1.000 1 A 77.300 1
ATOM 468 H HG3 . MET 30 30 ? A -14.172 5.877 0.217 1.000 1 A 77.300 1
ATOM 469 H HE1 . MET 30 30 ? A -13.432 8.760 2.755 1.000 1 A 77.300 1
ATOM 470 H HE2 . MET 30 30 ? A -12.236 7.610 2.126 1.000 1 A 77.300 1
ATOM 471 H HE3 . MET 30 30 ? A -13.493 8.284 1.046 1.000 1 A 77.300 1
ATOM 472 N N . ILE 31 31 ? A -10.347 2.631 0.730 1.000 1 A 80.610 1
ATOM 473 C CA . ILE 31 31 ? A -8.936 2.233 0.630 1.000 1 A 80.610 1
ATOM 474 C C . ILE 31 31 ? A -8.665 1.554 -0.715 1.000 1 A 80.610 1
ATOM 475 O O . ILE 31 31 ? A -7.706 1.914 -1.392 1.000 1 A 80.610 1
ATOM 476 C CB . ILE 31 31 ? A -8.532 1.336 1.822 1.000 1 A 80.610 1
ATOM 477 C CG1 . ILE 31 31 ? A -8.594 2.140 3.142 1.000 1 A 80.610 1
ATOM 478 C CG2 . ILE 31 31 ? A -7.112 0.767 1.625 1.000 1 A 80.610 1
ATOM 479 C CD1 . ILE 31 31 ? A -8.475 1.268 4.397 1.000 1 A 80.610 1
ATOM 480 H H . ILE 31 31 ? A -10.896 2.250 1.487 1.000 1 A 80.610 1
ATOM 481 H HA . ILE 31 31 ? A -8.317 3.130 0.665 1.000 1 A 80.610 1
ATOM 482 H HB . ILE 31 31 ? A -9.232 0.502 1.882 1.000 1 A 80.610 1
ATOM 483 H HG12 . ILE 31 31 ? A -7.798 2.884 3.153 1.000 1 A 80.610 1
ATOM 484 H HG13 . ILE 31 31 ? A -9.540 2.677 3.210 1.000 1 A 80.610 1
ATOM 485 H HG21 . ILE 31 31 ? A -6.826 0.151 2.478 1.000 1 A 80.610 1
ATOM 486 H HG22 . ILE 31 31 ? A -7.065 0.125 0.745 1.000 1 A 80.610 1
ATOM 487 H HG23 . ILE 31 31 ? A -6.391 1.578 1.522 1.000 1 A 80.610 1
ATOM 488 H HD11 . ILE 31 31 ? A -7.473 0.846 4.483 1.000 1 A 80.610 1
ATOM 489 H HD12 . ILE 31 31 ? A -8.660 1.882 5.279 1.000 1 A 80.610 1
ATOM 490 H HD13 . ILE 31 31 ? A -9.208 0.462 4.363 1.000 1 A 80.610 1
ATOM 491 N N . ASN 32 32 ? A -9.527 0.635 -1.160 1.000 1 A 81.900 1
ATOM 492 C CA . ASN 32 32 ? A -9.357 -0.052 -2.441 1.000 1 A 81.900 1
ATOM 493 C C . ASN 32 32 ? A -9.442 0.920 -3.632 1.000 1 A 81.900 1
ATOM 494 O O . ASN 32 32 ? A -8.624 0.851 -4.548 1.000 1 A 81.900 1
ATOM 495 C CB . ASN 32 32 ? A -10.397 -1.181 -2.540 1.000 1 A 81.900 1
ATOM 496 C CG . ASN 32 32 ? A -10.121 -2.135 -3.688 1.000 1 A 81.900 1
ATOM 497 O OD1 . ASN 32 32 ? A -9.012 -2.301 -4.158 1.000 1 A 81.900 1
ATOM 498 N ND2 . ASN 32 32 ? A -11.124 -2.831 -4.169 1.000 1 A 81.900 1
ATOM 499 H H . ASN 32 32 ? A -10.270 0.335 -0.546 1.000 1 A 81.900 1
ATOM 500 H HA . ASN 32 32 ? A -8.362 -0.497 -2.460 1.000 1 A 81.900 1
ATOM 501 H HB2 . ASN 32 32 ? A -10.372 -1.773 -1.626 1.000 1 A 81.900 1
ATOM 502 H HB3 . ASN 32 32 ? A -11.394 -0.753 -2.646 1.000 1 A 81.900 1
ATOM 503 H HD21 . ASN 32 32 ? A -10.858 -3.600 -4.767 1.000 1 A 81.900 1
ATOM 504 H HD22 . ASN 32 32 ? A -12.017 -2.813 -3.697 1.000 1 A 81.900 1
ATOM 505 N N . LYS 33 33 ? A -10.376 1.884 -3.604 1.000 1 A 82.100 1
ATOM 506 C CA . LYS 33 33 ? A -10.442 2.953 -4.618 1.000 1 A 82.100 1
ATOM 507 C C . LYS 33 33 ? A -9.165 3.799 -4.637 1.000 1 A 82.100 1
ATOM 508 O O . LYS 33 33 ? A -8.647 4.076 -5.718 1.000 1 A 82.100 1
ATOM 509 C CB . LYS 33 33 ? A -11.670 3.849 -4.391 1.000 1 A 82.100 1
ATOM 510 C CG . LYS 33 33 ? A -12.985 3.201 -4.855 1.000 1 A 82.100 1
ATOM 511 C CD . LYS 33 33 ? A -14.163 4.164 -4.632 1.000 1 A 82.100 1
ATOM 512 C CE . LYS 33 33 ? A -15.489 3.542 -5.095 1.000 1 A 82.100 1
ATOM 513 N NZ . LYS 33 33 ? A -16.632 4.485 -4.943 1.000 1 A 82.100 1
ATOM 514 H H . LYS 33 33 ? A -11.029 1.894 -2.833 1.000 1 A 82.100 1
ATOM 515 H HA . LYS 33 33 ? A -10.508 2.502 -5.608 1.000 1 A 82.100 1
ATOM 516 H HB2 . LYS 33 33 ? A -11.741 4.111 -3.336 1.000 1 A 82.100 1
ATOM 517 H HB3 . LYS 33 33 ? A -11.534 4.770 -4.958 1.000 1 A 82.100 1
ATOM 518 H HG2 . LYS 33 33 ? A -12.912 2.965 -5.917 1.000 1 A 82.100 1
ATOM 519 H HG3 . LYS 33 33 ? A -13.159 2.277 -4.303 1.000 1 A 82.100 1
ATOM 520 H HD2 . LYS 33 33 ? A -13.979 5.082 -5.191 1.000 1 A 82.100 1
ATOM 521 H HD3 . LYS 33 33 ? A -14.227 4.404 -3.571 1.000 1 A 82.100 1
ATOM 522 H HE2 . LYS 33 33 ? A -15.389 3.251 -6.140 1.000 1 A 82.100 1
ATOM 523 H HE3 . LYS 33 33 ? A -15.669 2.637 -4.514 1.000 1 A 82.100 1
ATOM 524 H HZ1 . LYS 33 33 ? A -17.492 4.062 -5.261 1.000 1 A 82.100 1
ATOM 525 H HZ2 . LYS 33 33 ? A -16.758 4.764 -3.980 1.000 1 A 82.100 1
ATOM 526 H HZ3 . LYS 33 33 ? A -16.491 5.318 -5.496 1.000 1 A 82.100 1
ATOM 527 N N . ARG 34 34 ? A -8.636 4.185 -3.468 1.000 1 A 79.390 1
ATOM 528 C CA . ARG 34 34 ? A -7.361 4.919 -3.373 1.000 1 A 79.390 1
ATOM 529 C C . ARG 34 34 ? A -6.188 4.079 -3.881 1.000 1 A 79.390 1
ATOM 530 O O . ARG 34 34 ? A -5.417 4.578 -4.690 1.000 1 A 79.390 1
ATOM 531 C CB . ARG 34 34 ? A -7.101 5.411 -1.939 1.000 1 A 79.390 1
ATOM 532 C CG . ARG 34 34 ? A -7.952 6.636 -1.565 1.000 1 A 79.390 1
ATOM 533 C CD . ARG 34 34 ? A -7.509 7.191 -0.204 1.000 1 A 79.390 1
ATOM 534 N NE . ARG 34 34 ? A -8.279 8.390 0.191 1.000 1 A 79.390 1
ATOM 535 C CZ . ARG 34 34 ? A -7.969 9.230 1.167 1.000 1 A 79.390 1
ATOM 536 N NH1 . ARG 34 34 ? A -6.901 9.084 1.900 1.000 1 A 79.390 1
ATOM 537 N NH2 . ARG 34 34 ? A -8.737 10.250 1.435 1.000 1 A 79.390 1
ATOM 538 H H . ARG 34 34 ? A -9.117 3.927 -2.618 1.000 1 A 79.390 1
ATOM 539 H HA . ARG 34 34 ? A -7.393 5.785 -4.034 1.000 1 A 79.390 1
ATOM 540 H HB2 . ARG 34 34 ? A -6.051 5.696 -1.863 1.000 1 A 79.390 1
ATOM 541 H HB3 . ARG 34 34 ? A -7.282 4.605 -1.228 1.000 1 A 79.390 1
ATOM 542 H HG2 . ARG 34 34 ? A -7.818 7.411 -2.320 1.000 1 A 79.390 1
ATOM 543 H HG3 . ARG 34 34 ? A -9.004 6.356 -1.524 1.000 1 A 79.390 1
ATOM 544 H HD2 . ARG 34 34 ? A -7.637 6.417 0.552 1.000 1 A 79.390 1
ATOM 545 H HD3 . ARG 34 34 ? A -6.451 7.446 -0.265 1.000 1 A 79.390 1
ATOM 546 H HE . ARG 34 34 ? A -9.126 8.588 -0.322 1.000 1 A 79.390 1
ATOM 547 H HH11 . ARG 34 34 ? A -6.271 8.313 1.727 1.000 1 A 79.390 1
ATOM 548 H HH12 . ARG 34 34 ? A -6.677 9.747 2.628 1.000 1 A 79.390 1
ATOM 549 H HH21 . ARG 34 34 ? A -9.573 10.440 0.901 1.000 1 A 79.390 1
ATOM 550 H HH22 . ARG 34 34 ? A -8.486 10.882 2.181 1.000 1 A 79.390 1
ATOM 551 N N . LYS 35 35 ? A -6.099 2.802 -3.499 1.000 1 A 82.340 1
ATOM 552 C CA . LYS 35 35 ? A -5.055 1.874 -3.959 1.000 1 A 82.340 1
ATOM 553 C C . LYS 35 35 ? A -5.063 1.727 -5.480 1.000 1 A 82.340 1
ATOM 554 O O . LYS 35 35 ? A -4.013 1.869 -6.093 1.000 1 A 82.340 1
ATOM 555 C CB . LYS 35 35 ? A -5.213 0.518 -3.251 1.000 1 A 82.340 1
ATOM 556 C CG . LYS 35 35 ? A -4.024 -0.412 -3.543 1.000 1 A 82.340 1
ATOM 557 C CD . LYS 35 35 ? A -4.155 -1.747 -2.797 1.000 1 A 82.340 1
ATOM 558 C CE . LYS 35 35 ? A -2.926 -2.619 -3.093 1.000 1 A 82.340 1
ATOM 559 N NZ . LYS 35 35 ? A -2.955 -3.905 -2.348 1.000 1 A 82.340 1
ATOM 560 H H . LYS 35 35 ? A -6.759 2.474 -2.808 1.000 1 A 82.340 1
ATOM 561 H HA . LYS 35 35 ? A -4.083 2.292 -3.697 1.000 1 A 82.340 1
ATOM 562 H HB2 . LYS 35 35 ? A -6.138 0.039 -3.574 1.000 1 A 82.340 1
ATOM 563 H HB3 . LYS 35 35 ? A -5.268 0.687 -2.176 1.000 1 A 82.340 1
ATOM 564 H HG2 . LYS 35 35 ? A -3.970 -0.614 -4.613 1.000 1 A 82.340 1
ATOM 565 H HG3 . LYS 35 35 ? A -3.103 0.081 -3.233 1.000 1 A 82.340 1
ATOM 566 H HD2 . LYS 35 35 ? A -4.220 -1.554 -1.727 1.000 1 A 82.340 1
ATOM 567 H HD3 . LYS 35 35 ? A -5.060 -2.257 -3.128 1.000 1 A 82.340 1
ATOM 568 H HE2 . LYS 35 35 ? A -2.033 -2.057 -2.822 1.000 1 A 82.340 1
ATOM 569 H HE3 . LYS 35 35 ? A -2.882 -2.806 -4.166 1.000 1 A 82.340 1
ATOM 570 H HZ1 . LYS 35 35 ? A -2.992 -3.743 -1.352 1.000 1 A 82.340 1
ATOM 571 H HZ2 . LYS 35 35 ? A -2.118 -4.436 -2.539 1.000 1 A 82.340 1
ATOM 572 H HZ3 . LYS 35 35 ? A -3.750 -4.465 -2.621 1.000 1 A 82.340 1
ATOM 573 N N . LYS 36 36 ? A -6.236 1.534 -6.094 1.000 1 A 83.890 1
ATOM 574 C CA . LYS 36 36 ? A -6.377 1.479 -7.559 1.000 1 A 83.890 1
ATOM 575 C C . LYS 36 36 ? A -5.943 2.778 -8.238 1.000 1 A 83.890 1
ATOM 576 O O . LYS 36 36 ? A -5.270 2.721 -9.258 1.000 1 A 83.890 1
ATOM 577 C CB . LYS 36 36 ? A -7.822 1.139 -7.947 1.000 1 A 83.890 1
ATOM 578 C CG . LYS 36 36 ? A -8.135 -0.347 -7.733 1.000 1 A 83.890 1
ATOM 579 C CD . LYS 36 36 ? A -9.539 -0.680 -8.253 1.000 1 A 83.890 1
ATOM 580 C CE . LYS 36 36 ? A -9.770 -2.194 -8.183 1.000 1 A 83.890 1
ATOM 581 N NZ . LYS 36 36 ? A -11.025 -2.595 -8.872 1.000 1 A 83.890 1
ATOM 582 H H . LYS 36 36 ? A -7.051 1.377 -5.518 1.000 1 A 83.890 1
ATOM 583 H HA . LYS 36 36 ? A -5.715 0.708 -7.952 1.000 1 A 83.890 1
ATOM 584 H HB2 . LYS 36 36 ? A -8.517 1.755 -7.376 1.000 1 A 83.890 1
ATOM 585 H HB3 . LYS 36 36 ? A -7.954 1.364 -9.005 1.000 1 A 83.890 1
ATOM 586 H HG2 . LYS 36 36 ? A -8.066 -0.600 -6.674 1.000 1 A 83.890 1
ATOM 587 H HG3 . LYS 36 36 ? A -7.404 -0.942 -8.281 1.000 1 A 83.890 1
ATOM 588 H HD2 . LYS 36 36 ? A -9.620 -0.348 -9.288 1.000 1 A 83.890 1
ATOM 589 H HD3 . LYS 36 36 ? A -10.281 -0.161 -7.647 1.000 1 A 83.890 1
ATOM 590 H HE2 . LYS 36 36 ? A -9.780 -2.499 -7.137 1.000 1 A 83.890 1
ATOM 591 H HE3 . LYS 36 36 ? A -8.924 -2.687 -8.660 1.000 1 A 83.890 1
ATOM 592 H HZ1 . LYS 36 36 ? A -10.958 -2.396 -9.860 1.000 1 A 83.890 1
ATOM 593 H HZ2 . LYS 36 36 ? A -11.826 -2.105 -8.499 1.000 1 A 83.890 1
ATOM 594 H HZ3 . LYS 36 36 ? A -11.175 -3.590 -8.783 1.000 1 A 83.890 1
ATOM 595 N N . ARG 37 37 ? A -6.286 3.941 -7.670 1.000 1 A 82.850 1
ATOM 596 C CA . ARG 37 37 ? A -5.830 5.243 -8.192 1.000 1 A 82.850 1
ATOM 597 C C . ARG 37 37 ? A -4.314 5.398 -8.114 1.000 1 A 82.850 1
ATOM 598 O O . ARG 37 37 ? A -3.718 5.838 -9.085 1.000 1 A 82.850 1
ATOM 599 C CB . ARG 37 37 ? A -6.508 6.404 -7.455 1.000 1 A 82.850 1
ATOM 600 C CG . ARG 37 37 ? A -7.940 6.641 -7.940 1.000 1 A 82.850 1
ATOM 601 C CD . ARG 37 37 ? A -8.515 7.865 -7.220 1.000 1 A 82.850 1
ATOM 602 N NE . ARG 37 37 ? A -9.834 8.246 -7.760 1.000 1 A 82.850 1
ATOM 603 C CZ . ARG 37 37 ? A -10.468 9.384 -7.534 1.000 1 A 82.850 1
ATOM 604 N NH1 . ARG 37 37 ? A -9.984 10.304 -6.745 1.000 1 A 82.850 1
ATOM 605 N NH2 . ARG 37 37 ? A -11.611 9.627 -8.110 1.000 1 A 82.850 1
ATOM 606 H H . ARG 37 37 ? A -6.858 3.916 -6.838 1.000 1 A 82.850 1
ATOM 607 H HA . ARG 37 37 ? A -6.061 5.308 -9.255 1.000 1 A 82.850 1
ATOM 608 H HB2 . ARG 37 37 ? A -5.934 7.311 -7.646 1.000 1 A 82.850 1
ATOM 609 H HB3 . ARG 37 37 ? A -6.504 6.222 -6.381 1.000 1 A 82.850 1
ATOM 610 H HG2 . ARG 37 37 ? A -8.559 5.767 -7.740 1.000 1 A 82.850 1
ATOM 611 H HG3 . ARG 37 37 ? A -7.925 6.830 -9.014 1.000 1 A 82.850 1
ATOM 612 H HD2 . ARG 37 37 ? A -8.601 7.641 -6.157 1.000 1 A 82.850 1
ATOM 613 H HD3 . ARG 37 37 ? A -7.822 8.695 -7.352 1.000 1 A 82.850 1
ATOM 614 H HE . ARG 37 37 ? A -10.242 7.623 -8.442 1.000 1 A 82.850 1
ATOM 615 H HH11 . ARG 37 37 ? A -10.439 11.202 -6.667 1.000 1 A 82.850 1
ATOM 616 H HH12 . ARG 37 37 ? A -9.049 10.193 -6.380 1.000 1 A 82.850 1
ATOM 617 H HH21 . ARG 37 37 ? A -11.958 9.016 -8.835 1.000 1 A 82.850 1
ATOM 618 H HH22 . ARG 37 37 ? A -12.055 10.526 -7.986 1.000 1 A 82.850 1
ATOM 619 N N . ILE 38 38 ? A -3.703 5.012 -6.994 1.000 1 A 85.040 1
ATOM 620 C CA . ILE 38 38 ? A -2.244 5.054 -6.832 1.000 1 A 85.040 1
ATOM 621 C C . ILE 38 38 ? A -1.585 4.098 -7.829 1.000 1 A 85.040 1
ATOM 622 O O . ILE 38 38 ? A -0.681 4.513 -8.535 1.000 1 A 85.040 1
ATOM 623 C CB . ILE 38 38 ? A -1.838 4.756 -5.372 1.000 1 A 85.040 1
ATOM 624 C CG1 . ILE 38 38 ? A -2.357 5.868 -4.430 1.000 1 A 85.040 1
ATOM 625 C CG2 . ILE 38 38 ? A -0.307 4.643 -5.243 1.000 1 A 85.040 1
ATOM 626 C CD1 . ILE 38 38 ? A -2.353 5.465 -2.950 1.000 1 A 85.040 1
ATOM 627 H H . ILE 38 38 ? A -4.267 4.692 -6.220 1.000 1 A 85.040 1
ATOM 628 H HA . ILE 38 38 ? A -1.891 6.055 -7.081 1.000 1 A 85.040 1
ATOM 629 H HB . ILE 38 38 ? A -2.281 3.805 -5.077 1.000 1 A 85.040 1
ATOM 630 H HG12 . ILE 38 38 ? A -1.749 6.764 -4.556 1.000 1 A 85.040 1
ATOM 631 H HG13 . ILE 38 38 ? A -3.381 6.137 -4.689 1.000 1 A 85.040 1
ATOM 632 H HG21 . ILE 38 38 ? A 0.076 3.812 -5.835 1.000 1 A 85.040 1
ATOM 633 H HG22 . ILE 38 38 ? A -0.014 4.465 -4.208 1.000 1 A 85.040 1
ATOM 634 H HG23 . ILE 38 38 ? A 0.170 5.560 -5.591 1.000 1 A 85.040 1
ATOM 635 H HD11 . ILE 38 38 ? A -2.932 4.552 -2.812 1.000 1 A 85.040 1
ATOM 636 H HD12 . ILE 38 38 ? A -1.334 5.308 -2.596 1.000 1 A 85.040 1
ATOM 637 H HD13 . ILE 38 38 ? A -2.805 6.263 -2.360 1.000 1 A 85.040 1
ATOM 638 N N . GLN 39 39 ? A -2.085 2.866 -7.966 1.000 1 A 84.010 1
ATOM 639 C CA . GLN 39 39 ? A -1.579 1.908 -8.957 1.000 1 A 84.010 1
ATOM 640 C C . GLN 39 39 ? A -1.700 2.431 -10.391 1.000 1 A 84.010 1
ATOM 641 O O . GLN 39 39 ? A -0.770 2.267 -11.173 1.000 1 A 84.010 1
ATOM 642 C CB . GLN 39 39 ? A -2.334 0.577 -8.832 1.000 1 A 84.010 1
ATOM 643 C CG . GLN 39 39 ? A -1.886 -0.227 -7.606 1.000 1 A 84.010 1
ATOM 644 C CD . GLN 39 39 ? A -2.654 -1.537 -7.467 1.000 1 A 84.010 1
ATOM 645 O OE1 . GLN 39 39 ? A -3.857 -1.628 -7.652 1.000 1 A 84.010 1
ATOM 646 N NE2 . GLN 39 39 ? A -1.992 -2.612 -7.094 1.000 1 A 84.010 1
ATOM 647 H H . GLN 39 39 ? A -2.830 2.572 -7.351 1.000 1 A 84.010 1
ATOM 648 H HA . GLN 39 39 ? A -0.517 1.737 -8.776 1.000 1 A 84.010 1
ATOM 649 H HB2 . GLN 39 39 ? A -2.136 -0.025 -9.719 1.000 1 A 84.010 1
ATOM 650 H HB3 . GLN 39 39 ? A -3.406 0.769 -8.783 1.000 1 A 84.010 1
ATOM 651 H HG2 . GLN 39 39 ? A -2.025 0.356 -6.695 1.000 1 A 84.010 1
ATOM 652 H HG3 . GLN 39 39 ? A -0.823 -0.444 -7.705 1.000 1 A 84.010 1
ATOM 653 H HE21 . GLN 39 39 ? A -0.983 -2.580 -7.079 1.000 1 A 84.010 1
ATOM 654 H HE22 . GLN 39 39 ? A -2.488 -3.483 -7.220 1.000 1 A 84.010 1
ATOM 655 N N . PHE 40 40 ? A -2.815 3.083 -10.729 1.000 1 A 84.400 1
ATOM 656 C CA . PHE 40 40 ? A -3.002 3.702 -12.039 1.000 1 A 84.400 1
ATOM 657 C C . PHE 40 40 ? A -2.023 4.858 -12.270 1.000 1 A 84.400 1
ATOM 658 O O . PHE 40 40 ? A -1.422 4.942 -13.335 1.000 1 A 84.400 1
ATOM 659 C CB . PHE 40 40 ? A -4.455 4.170 -12.174 1.000 1 A 84.400 1
ATOM 660 C CG . PHE 40 40 ? A -4.764 4.737 -13.542 1.000 1 A 84.400 1
ATOM 661 C CD1 . PHE 40 40 ? A -4.755 6.129 -13.758 1.000 1 A 84.400 1
ATOM 662 C CD2 . PHE 40 40 ? A -5.010 3.864 -14.618 1.000 1 A 84.400 1
ATOM 663 C CE1 . PHE 40 40 ? A -5.003 6.643 -15.043 1.000 1 A 84.400 1
ATOM 664 C CE2 . PHE 40 40 ? A -5.259 4.379 -15.902 1.000 1 A 84.400 1
ATOM 665 C CZ . PHE 40 40 ? A -5.257 5.769 -16.114 1.000 1 A 84.400 1
ATOM 666 H H . PHE 40 40 ? A -3.571 3.138 -10.062 1.000 1 A 84.400 1
ATOM 667 H HA . PHE 40 40 ? A -2.806 2.958 -12.812 1.000 1 A 84.400 1
ATOM 668 H HB2 . PHE 40 40 ? A -5.117 3.322 -11.995 1.000 1 A 84.400 1
ATOM 669 H HB3 . PHE 40 40 ? A -4.667 4.924 -11.416 1.000 1 A 84.400 1
ATOM 670 H HD1 . PHE 40 40 ? A -4.528 6.805 -12.946 1.000 1 A 84.400 1
ATOM 671 H HD2 . PHE 40 40 ? A -4.988 2.795 -14.468 1.000 1 A 84.400 1
ATOM 672 H HE1 . PHE 40 40 ? A -4.976 7.709 -15.216 1.000 1 A 84.400 1
ATOM 673 H HE2 . PHE 40 40 ? A -5.431 3.710 -16.732 1.000 1 A 84.400 1
ATOM 674 H HZ . PHE 40 40 ? A -5.430 6.163 -17.104 1.000 1 A 84.400 1
ATOM 675 N N . LEU 41 41 ? A -1.812 5.711 -11.263 1.000 1 A 86.220 1
ATOM 676 C CA . LEU 41 41 ? A -0.840 6.799 -11.340 1.000 1 A 86.220 1
ATOM 677 C C . LEU 41 41 ? A 0.588 6.260 -11.485 1.000 1 A 86.220 1
ATOM 678 O O . LEU 41 41 ? A 1.318 6.717 -12.352 1.000 1 A 86.220 1
ATOM 679 C CB . LEU 41 41 ? A -0.994 7.701 -10.103 1.000 1 A 86.220 1
ATOM 680 C CG . LEU 41 41 ? A -0.119 8.968 -10.149 1.000 1 A 86.220 1
ATOM 681 C CD1 . LEU 41 41 ? A -0.532 9.909 -11.283 1.000 1 A 86.220 1
ATOM 682 C CD2 . LEU 41 41 ? A -0.256 9.719 -8.825 1.000 1 A 86.220 1
ATOM 683 H H . LEU 41 41 ? A -2.338 5.598 -10.409 1.000 1 A 86.220 1
ATOM 684 H HA . LEU 41 41 ? A -1.058 7.379 -12.236 1.000 1 A 86.220 1
ATOM 685 H HB2 . LEU 41 41 ? A -2.038 8.000 -10.012 1.000 1 A 86.220 1
ATOM 686 H HB3 . LEU 41 41 ? A -0.728 7.125 -9.216 1.000 1 A 86.220 1
ATOM 687 H HG . LEU 41 41 ? A 0.928 8.692 -10.275 1.000 1 A 86.220 1
ATOM 688 H HD11 . LEU 41 41 ? A 0.042 10.833 -11.217 1.000 1 A 86.220 1
ATOM 689 H HD12 . LEU 41 41 ? A -1.596 10.141 -11.225 1.000 1 A 86.220 1
ATOM 690 H HD13 . LEU 41 41 ? A -0.305 9.454 -12.246 1.000 1 A 86.220 1
ATOM 691 H HD21 . LEU 41 41 ? A 0.386 10.600 -8.842 1.000 1 A 86.220 1
ATOM 692 H HD22 . LEU 41 41 ? A 0.065 9.077 -8.004 1.000 1 A 86.220 1
ATOM 693 H HD23 . LEU 41 41 ? A -1.289 10.031 -8.671 1.000 1 A 86.220 1
ATOM 694 N N . THR 42 42 ? A 0.969 5.246 -10.703 1.000 1 A 86.880 1
ATOM 695 C CA . THR 42 42 ? A 2.273 4.580 -10.822 1.000 1 A 86.880 1
ATOM 696 C C . THR 42 42 ? A 2.454 3.939 -12.196 1.000 1 A 86.880 1
ATOM 697 O O . THR 42 42 ? A 3.523 4.063 -12.784 1.000 1 A 86.880 1
ATOM 698 C CB . THR 42 42 ? A 2.438 3.506 -9.735 1.000 1 A 86.880 1
ATOM 699 O OG1 . THR 42 42 ? A 2.263 4.059 -8.451 1.000 1 A 86.880 1
ATOM 700 C CG2 . THR 42 42 ? A 3.827 2.871 -9.737 1.000 1 A 86.880 1
ATOM 701 H H . THR 42 42 ? A 0.344 4.936 -9.973 1.000 1 A 86.880 1
ATOM 702 H HA . THR 42 42 ? A 3.061 5.324 -10.706 1.000 1 A 86.880 1
ATOM 703 H HB . THR 42 42 ? A 1.690 2.726 -9.881 1.000 1 A 86.880 1
ATOM 704 H HG1 . THR 42 42 ? A 2.961 4.706 -8.324 1.000 1 A 86.880 1
ATOM 705 H HG21 . THR 42 42 ? A 3.973 2.292 -10.649 1.000 1 A 86.880 1
ATOM 706 H HG22 . THR 42 42 ? A 4.596 3.642 -9.683 1.000 1 A 86.880 1
ATOM 707 H HG23 . THR 42 42 ? A 3.927 2.200 -8.883 1.000 1 A 86.880 1
ATOM 708 N N . PHE 43 43 ? A 1.420 3.286 -12.733 1.000 1 A 87.040 1
ATOM 709 C CA . PHE 43 43 ? A 1.451 2.725 -14.083 1.000 1 A 87.040 1
ATOM 710 C C . PHE 43 43 ? A 1.665 3.814 -15.137 1.000 1 A 87.040 1
ATOM 711 O O . PHE 43 43 ? A 2.526 3.664 -15.999 1.000 1 A 87.040 1
ATOM 712 C CB . PHE 43 43 ? A 0.154 1.951 -14.347 1.000 1 A 87.040 1
ATOM 713 C CG . PHE 43 43 ? A 0.067 1.403 -15.756 1.000 1 A 87.040 1
ATOM 714 C CD1 . PHE 43 43 ? A -0.655 2.097 -16.747 1.000 1 A 87.040 1
ATOM 715 C CD2 . PHE 43 43 ? A 0.758 0.224 -16.091 1.000 1 A 87.040 1
ATOM 716 C CE1 . PHE 43 43 ? A -0.687 1.609 -18.066 1.000 1 A 87.040 1
ATOM 717 C CE2 . PHE 43 43 ? A 0.723 -0.264 -17.408 1.000 1 A 87.040 1
ATOM 718 C CZ . PHE 43 43 ? A 0.001 0.428 -18.396 1.000 1 A 87.040 1
ATOM 719 H H . PHE 43 43 ? A 0.566 3.195 -12.201 1.000 1 A 87.040 1
ATOM 720 H HA . PHE 43 43 ? A 2.289 2.033 -14.164 1.000 1 A 87.040 1
ATOM 721 H HB2 . PHE 43 43 ? A -0.702 2.603 -14.171 1.000 1 A 87.040 1
ATOM 722 H HB3 . PHE 43 43 ? A 0.087 1.123 -13.642 1.000 1 A 87.040 1
ATOM 723 H HD1 . PHE 43 43 ? A -1.166 3.017 -16.505 1.000 1 A 87.040 1
ATOM 724 H HD2 . PHE 43 43 ? A 1.331 -0.302 -15.341 1.000 1 A 87.040 1
ATOM 725 H HE1 . PHE 43 43 ? A -1.224 2.149 -18.831 1.000 1 A 87.040 1
ATOM 726 H HE2 . PHE 43 43 ? A 1.265 -1.161 -17.670 1.000 1 A 87.040 1
ATOM 727 H HZ . PHE 43 43 ? A -0.011 0.062 -19.412 1.000 1 A 87.040 1
ATOM 728 N N . LEU 44 44 ? A 0.935 4.926 -15.032 1.000 1 A 88.040 1
ATOM 729 C CA . LEU 44 44 ? A 1.072 6.060 -15.938 1.000 1 A 88.040 1
ATOM 730 C C . LEU 44 44 ? A 2.483 6.658 -15.870 1.000 1 A 88.040 1
ATOM 731 O O . LEU 44 44 ? A 3.118 6.835 -16.905 1.000 1 A 88.040 1
ATOM 732 C CB . LEU 44 44 ? A -0.016 7.091 -15.593 1.000 1 A 88.040 1
ATOM 733 C CG . LEU 44 44 ? A -0.162 8.203 -16.641 1.000 1 A 88.040 1
ATOM 734 C CD1 . LEU 44 44 ? A -0.677 7.658 -17.976 1.000 1 A 88.040 1
ATOM 735 C CD2 . LEU 44 44 ? A -1.142 9.260 -16.134 1.000 1 A 88.040 1
ATOM 736 H H . LEU 44 44 ? A 0.236 4.981 -14.305 1.000 1 A 88.040 1
ATOM 737 H HA . LEU 44 44 ? A 0.921 5.693 -16.954 1.000 1 A 88.040 1
ATOM 738 H HB2 . LEU 44 44 ? A 0.223 7.544 -14.630 1.000 1 A 88.040 1
ATOM 739 H HB3 . LEU 44 44 ? A -0.975 6.582 -15.494 1.000 1 A 88.040 1
ATOM 740 H HG . LEU 44 44 ? A 0.805 8.684 -16.788 1.000 1 A 88.040 1
ATOM 741 H HD11 . LEU 44 44 ? A -1.571 7.055 -17.821 1.000 1 A 88.040 1
ATOM 742 H HD12 . LEU 44 44 ? A 0.095 7.052 -18.450 1.000 1 A 88.040 1
ATOM 743 H HD13 . LEU 44 44 ? A -0.909 8.483 -18.651 1.000 1 A 88.040 1
ATOM 744 H HD21 . LEU 44 44 ? A -1.225 10.064 -16.865 1.000 1 A 88.040 1
ATOM 745 H HD22 . LEU 44 44 ? A -2.123 8.812 -15.976 1.000 1 A 88.040 1
ATOM 746 H HD23 . LEU 44 44 ? A -0.776 9.679 -15.197 1.000 1 A 88.040 1
ATOM 747 N N . THR 45 45 ? A 3.006 6.899 -14.664 1.000 1 A 87.930 1
ATOM 748 C CA . THR 45 45 ? A 4.374 7.395 -14.466 1.000 1 A 87.930 1
ATOM 749 C C . THR 45 45 ? A 5.408 6.440 -15.057 1.000 1 A 87.930 1
ATOM 750 O O . THR 45 45 ? A 6.316 6.894 -15.746 1.000 1 A 87.930 1
ATOM 751 C CB . THR 45 45 ? A 4.675 7.624 -12.978 1.000 1 A 87.930 1
ATOM 752 O OG1 . THR 45 45 ? A 3.742 8.521 -12.425 1.000 1 A 87.930 1
ATOM 753 C CG2 . THR 45 45 ? A 6.045 8.259 -12.743 1.000 1 A 87.930 1
ATOM 754 H H . THR 45 45 ? A 2.423 6.788 -13.847 1.000 1 A 87.930 1
ATOM 755 H HA . THR 45 45 ? A 4.478 8.349 -14.984 1.000 1 A 87.930 1
ATOM 756 H HB . THR 45 45 ? A 4.620 6.678 -12.440 1.000 1 A 87.930 1
ATOM 757 H HG1 . THR 45 45 ? A 4.204 9.028 -11.752 1.000 1 A 87.930 1
ATOM 758 H HG21 . THR 45 45 ? A 6.185 8.466 -11.682 1.000 1 A 87.930 1
ATOM 759 H HG22 . THR 45 45 ? A 6.133 9.185 -13.311 1.000 1 A 87.930 1
ATOM 760 H HG23 . THR 45 45 ? A 6.833 7.575 -13.059 1.000 1 A 87.930 1
ATOM 761 N N . ASN 46 46 ? A 5.259 5.127 -14.856 1.000 1 A 87.390 1
ATOM 762 C CA . ASN 46 46 ? A 6.156 4.133 -15.448 1.000 1 A 87.390 1
ATOM 763 C C . ASN 46 46 ? A 6.068 4.110 -16.977 1.000 1 A 87.390 1
ATOM 764 O O . ASN 46 46 ? A 7.095 3.964 -17.630 1.000 1 A 87.390 1
ATOM 765 C CB . ASN 46 46 ? A 5.842 2.742 -14.875 1.000 1 A 87.390 1
ATOM 766 C CG . ASN 46 46 ? A 6.387 2.529 -13.477 1.000 1 A 87.390 1
ATOM 767 O OD1 . ASN 46 46 ? A 7.224 3.248 -12.966 1.000 1 A 87.390 1
ATOM 768 N ND2 . ASN 46 46 ? A 5.955 1.484 -12.810 1.000 1 A 87.390 1
ATOM 769 H H . ASN 46 46 ? A 4.503 4.804 -14.269 1.000 1 A 87.390 1
ATOM 770 H HA . ASN 46 46 ? A 7.187 4.392 -15.205 1.000 1 A 87.390 1
ATOM 771 H HB2 . ASN 46 46 ? A 4.764 2.578 -14.878 1.000 1 A 87.390 1
ATOM 772 H HB3 . ASN 46 46 ? A 6.302 1.987 -15.513 1.000 1 A 87.390 1
ATOM 773 H HD21 . ASN 46 46 ? A 6.401 1.333 -11.916 1.000 1 A 87.390 1
ATOM 774 H HD22 . ASN 46 46 ? A 5.315 0.835 -13.245 1.000 1 A 87.390 1
ATOM 775 N N . LEU 47 47 ? A 4.875 4.280 -17.553 1.000 1 A 89.000 1
ATOM 776 C CA . LEU 47 47 ? A 4.692 4.354 -19.002 1.000 1 A 89.000 1
ATOM 777 C C . LEU 47 47 ? A 5.377 5.598 -19.587 1.000 1 A 89.000 1
ATOM 778 O O . LEU 47 47 ? A 6.081 5.492 -20.589 1.000 1 A 89.000 1
ATOM 779 C CB . LEU 47 47 ? A 3.185 4.328 -19.312 1.000 1 A 89.000 1
ATOM 780 C CG . LEU 47 47 ? A 2.862 4.250 -20.815 1.000 1 A 89.000 1
ATOM 781 C CD1 . LEU 47 47 ? A 3.230 2.885 -21.400 1.000 1 A 89.000 1
ATOM 782 C CD2 . LEU 47 47 ? A 1.365 4.479 -21.024 1.000 1 A 89.000 1
ATOM 783 H H . LEU 47 47 ? A 4.057 4.353 -16.964 1.000 1 A 89.000 1
ATOM 784 H HA . LEU 47 47 ? A 5.167 3.481 -19.448 1.000 1 A 89.000 1
ATOM 785 H HB2 . LEU 47 47 ? A 2.729 5.230 -18.904 1.000 1 A 89.000 1
ATOM 786 H HB3 . LEU 47 47 ? A 2.733 3.471 -18.812 1.000 1 A 89.000 1
ATOM 787 H HG . LEU 47 47 ? A 3.400 5.029 -21.354 1.000 1 A 89.000 1
ATOM 788 H HD11 . LEU 47 47 ? A 2.716 2.088 -20.863 1.000 1 A 89.000 1
ATOM 789 H HD12 . LEU 47 47 ? A 4.308 2.730 -21.339 1.000 1 A 89.000 1
ATOM 790 H HD13 . LEU 47 47 ? A 2.949 2.851 -22.453 1.000 1 A 89.000 1
ATOM 791 H HD21 . LEU 47 47 ? A 1.094 5.470 -20.660 1.000 1 A 89.000 1
ATOM 792 H HD22 . LEU 47 47 ? A 1.134 4.425 -22.088 1.000 1 A 89.000 1
ATOM 793 H HD23 . LEU 47 47 ? A 0.792 3.722 -20.488 1.000 1 A 89.000 1
ATOM 794 N N . PHE 48 48 ? A 5.227 6.758 -18.939 1.000 1 A 86.090 1
ATOM 795 C CA . PHE 48 48 ? A 5.943 7.977 -19.324 1.000 1 A 86.090 1
ATOM 796 C C . PHE 48 48 ? A 7.457 7.801 -19.207 1.000 1 A 86.090 1
ATOM 797 O O . PHE 48 48 ? A 8.179 8.132 -20.144 1.000 1 A 86.090 1
ATOM 798 C CB . PHE 48 48 ? A 5.480 9.169 -18.473 1.000 1 A 86.090 1
ATOM 799 C CG . PHE 48 48 ? A 4.252 9.866 -19.020 1.000 1 A 86.090 1
ATOM 800 C CD1 . PHE 48 48 ? A 4.368 10.686 -20.158 1.000 1 A 86.090 1
ATOM 801 C CD2 . PHE 48 48 ? A 3.001 9.721 -18.397 1.000 1 A 86.090 1
ATOM 802 C CE1 . PHE 48 48 ? A 3.236 11.335 -20.680 1.000 1 A 86.090 1
ATOM 803 C CE2 . PHE 48 48 ? A 1.865 10.357 -18.928 1.000 1 A 86.090 1
ATOM 804 C CZ . PHE 48 48 ? A 1.981 11.161 -20.073 1.000 1 A 86.090 1
ATOM 805 H H . PHE 48 48 ? A 4.615 6.786 -18.136 1.000 1 A 86.090 1
ATOM 806 H HA . PHE 48 48 ? A 5.736 8.193 -20.372 1.000 1 A 86.090 1
ATOM 807 H HB2 . PHE 48 48 ? A 6.281 9.908 -18.442 1.000 1 A 86.090 1
ATOM 808 H HB3 . PHE 48 48 ? A 5.304 8.845 -17.447 1.000 1 A 86.090 1
ATOM 809 H HD1 . PHE 48 48 ? A 5.329 10.819 -20.633 1.000 1 A 86.090 1
ATOM 810 H HD2 . PHE 48 48 ? A 2.917 9.134 -17.494 1.000 1 A 86.090 1
ATOM 811 H HE1 . PHE 48 48 ? A 3.330 11.964 -21.553 1.000 1 A 86.090 1
ATOM 812 H HE2 . PHE 48 48 ? A 0.902 10.247 -18.451 1.000 1 A 86.090 1
ATOM 813 H HZ . PHE 48 48 ? A 1.112 11.655 -20.481 1.000 1 A 86.090 1
ATOM 814 N N . LEU 49 49 ? A 7.935 7.246 -18.089 1.000 1 A 86.370 1
ATOM 815 C CA . LEU 49 49 ? A 9.359 7.009 -17.866 1.000 1 A 86.370 1
ATOM 816 C C . LEU 49 49 ? A 9.928 6.045 -18.915 1.000 1 A 86.370 1
ATOM 817 O O . LEU 49 49 ? A 10.982 6.311 -19.479 1.000 1 A 86.370 1
ATOM 818 C CB . LEU 49 49 ? A 9.570 6.467 -16.442 1.000 1 A 86.370 1
ATOM 819 C CG . LEU 49 49 ? A 11.019 6.681 -15.957 1.000 1 A 86.370 1
ATOM 820 C CD1 . LEU 49 49 ? A 11.072 7.831 -14.949 1.000 1 A 86.370 1
ATOM 821 C CD2 . LEU 49 49 ? A 11.570 5.426 -15.286 1.000 1 A 86.370 1
ATOM 822 H H . LEU 49 49 ? A 7.288 7.012 -17.350 1.000 1 A 86.370 1
ATOM 823 H HA . LEU 49 49 ? A 9.883 7.960 -17.968 1.000 1 A 86.370 1
ATOM 824 H HB2 . LEU 49 49 ? A 9.316 5.407 -16.426 1.000 1 A 86.370 1
ATOM 825 H HB3 . LEU 49 49 ? A 8.891 6.972 -15.756 1.000 1 A 86.370 1
ATOM 826 H HG . LEU 49 49 ? A 11.667 6.923 -16.799 1.000 1 A 86.370 1
ATOM 827 H HD11 . LEU 49 49 ? A 10.693 8.741 -15.415 1.000 1 A 86.370 1
ATOM 828 H HD12 . LEU 49 49 ? A 10.472 7.593 -14.071 1.000 1 A 86.370 1
ATOM 829 H HD13 . LEU 49 49 ? A 12.105 8.000 -14.645 1.000 1 A 86.370 1
ATOM 830 H HD21 . LEU 49 49 ? A 11.572 4.603 -16.001 1.000 1 A 86.370 1
ATOM 831 H HD22 . LEU 49 49 ? A 10.958 5.159 -14.425 1.000 1 A 86.370 1
ATOM 832 H HD23 . LEU 49 49 ? A 12.596 5.605 -14.962 1.000 1 A 86.370 1
ATOM 833 N N . TYR 50 50 ? A 9.206 4.967 -19.226 1.000 1 A 87.100 1
ATOM 834 C CA . TYR 50 50 ? A 9.588 4.009 -20.259 1.000 1 A 87.100 1
ATOM 835 C C . TYR 50 50 ? A 9.674 4.665 -21.640 1.000 1 A 87.100 1
ATOM 836 O O . TYR 50 50 ? A 10.649 4.445 -22.353 1.000 1 A 87.100 1
ATOM 837 C CB . TYR 50 50 ? A 8.589 2.847 -20.268 1.000 1 A 87.100 1
ATOM 838 C CG . TYR 50 50 ? A 8.957 1.752 -21.247 1.000 1 A 87.100 1
ATOM 839 C CD1 . TYR 50 50 ? A 8.400 1.732 -22.541 1.000 1 A 87.100 1
ATOM 840 C CD2 . TYR 50 50 ? A 9.894 0.772 -20.868 1.000 1 A 87.100 1
ATOM 841 C CE1 . TYR 50 50 ? A 8.771 0.724 -23.451 1.000 1 A 87.100 1
ATOM 842 C CE2 . TYR 50 50 ? A 10.266 -0.238 -21.774 1.000 1 A 87.100 1
ATOM 843 C CZ . TYR 50 50 ? A 9.700 -0.265 -23.067 1.000 1 A 87.100 1
ATOM 844 O OH . TYR 50 50 ? A 10.050 -1.246 -23.938 1.000 1 A 87.100 1
ATOM 845 H H . TYR 50 50 ? A 8.351 4.795 -18.715 1.000 1 A 87.100 1
ATOM 846 H HA . TYR 50 50 ? A 10.577 3.615 -20.024 1.000 1 A 87.100 1
ATOM 847 H HB2 . TYR 50 50 ? A 7.594 3.222 -20.508 1.000 1 A 87.100 1
ATOM 848 H HB3 . TYR 50 50 ? A 8.548 2.412 -19.270 1.000 1 A 87.100 1
ATOM 849 H HD1 . TYR 50 50 ? A 7.705 2.500 -22.848 1.000 1 A 87.100 1
ATOM 850 H HD2 . TYR 50 50 ? A 10.335 0.802 -19.882 1.000 1 A 87.100 1
ATOM 851 H HE1 . TYR 50 50 ? A 8.367 0.709 -24.453 1.000 1 A 87.100 1
ATOM 852 H HE2 . TYR 50 50 ? A 10.989 -0.986 -21.482 1.000 1 A 87.100 1
ATOM 853 H HH . TYR 50 50 ? A 10.689 -1.856 -23.561 1.000 1 A 87.100 1
ATOM 854 N N . ASN 51 51 ? A 8.702 5.509 -21.998 1.000 1 A 84.970 1
ATOM 855 C CA . ASN 51 51 ? A 8.703 6.215 -23.278 1.000 1 A 84.970 1
ATOM 856 C C . ASN 51 51 ? A 9.867 7.216 -23.386 1.000 1 A 84.970 1
ATOM 857 O O . ASN 51 51 ? A 10.529 7.284 -24.417 1.000 1 A 84.970 1
ATOM 858 C CB . ASN 51 51 ? A 7.337 6.899 -23.456 1.000 1 A 84.970 1
ATOM 859 C CG . ASN 51 51 ? A 7.117 7.365 -24.884 1.000 1 A 84.970 1
ATOM 860 O OD1 . ASN 51 51 ? A 7.552 6.761 -25.841 1.000 1 A 84.970 1
ATOM 861 N ND2 . ASN 51 51 ? A 6.388 8.438 -25.086 1.000 1 A 84.970 1
ATOM 862 H H . ASN 51 51 ? A 7.915 5.636 -21.378 1.000 1 A 84.970 1
ATOM 863 H HA . ASN 51 51 ? A 8.836 5.483 -24.075 1.000 1 A 84.970 1
ATOM 864 H HB2 . ASN 51 51 ? A 7.259 7.745 -22.774 1.000 1 A 84.970 1
ATOM 865 H HB3 . ASN 51 51 ? A 6.541 6.191 -23.225 1.000 1 A 84.970 1
ATOM 866 H HD21 . ASN 51 51 ? A 6.300 8.715 -26.053 1.000 1 A 84.970 1
ATOM 867 H HD22 . ASN 51 51 ? A 6.029 8.979 -24.313 1.000 1 A 84.970 1
ATOM 868 N N . ILE 52 52 ? A 10.165 7.951 -22.307 1.000 1 A 85.180 1
ATOM 869 C CA . ILE 52 52 ? A 11.321 8.860 -22.249 1.000 1 A 85.180 1
ATOM 870 C C . ILE 52 52 ? A 12.623 8.070 -22.393 1.000 1 A 85.180 1
ATOM 871 O O . ILE 52 52 ? A 13.466 8.432 -23.206 1.000 1 A 85.180 1
ATOM 872 C CB . ILE 52 52 ? A 11.307 9.687 -20.942 1.000 1 A 85.180 1
ATOM 873 C CG1 . ILE 52 52 ? A 10.111 10.667 -20.934 1.000 1 A 85.180 1
ATOM 874 C CG2 . ILE 52 52 ? A 12.621 10.474 -20.765 1.000 1 A 85.180 1
ATOM 875 C CD1 . ILE 52 52 ? A 9.801 11.236 -19.542 1.000 1 A 85.180 1
ATOM 876 H H . ILE 52 52 ? A 9.581 7.859 -21.488 1.000 1 A 85.180 1
ATOM 877 H HA . ILE 52 52 ? A 11.274 9.547 -23.093 1.000 1 A 85.180 1
ATOM 878 H HB . ILE 52 52 ? A 11.204 9.000 -20.101 1.000 1 A 85.180 1
ATOM 879 H HG12 . ILE 52 52 ? A 10.310 11.490 -21.620 1.000 1 A 85.180 1
ATOM 880 H HG13 . ILE 52 52 ? A 9.212 10.163 -21.288 1.000 1 A 85.180 1
ATOM 881 H HG21 . ILE 52 52 ? A 13.465 9.795 -20.642 1.000 1 A 85.180 1
ATOM 882 H HG22 . ILE 52 52 ? A 12.804 11.101 -21.638 1.000 1 A 85.180 1
ATOM 883 H HG23 . ILE 52 52 ? A 12.583 11.102 -19.875 1.000 1 A 85.180 1
ATOM 884 H HD11 . ILE 52 52 ? A 8.887 11.828 -19.594 1.000 1 A 85.180 1
ATOM 885 H HD12 . ILE 52 52 ? A 9.653 10.422 -18.833 1.000 1 A 85.180 1
ATOM 886 H HD13 . ILE 52 52 ? A 10.610 11.879 -19.198 1.000 1 A 85.180 1
ATOM 887 N N . VAL 53 53 ? A 12.777 6.972 -21.648 1.000 1 A 84.350 1
ATOM 888 C CA . VAL 53 53 ? A 13.977 6.127 -21.711 1.000 1 A 84.350 1
ATOM 889 C C . VAL 53 53 ? A 14.146 5.524 -23.105 1.000 1 A 84.350 1
ATOM 890 O O . VAL 53 53 ? A 15.249 5.568 -23.641 1.000 1 A 84.350 1
ATOM 891 C CB . VAL 53 53 ? A 13.941 5.044 -20.616 1.000 1 A 84.350 1
ATOM 892 C CG1 . VAL 53 53 ? A 15.051 3.998 -20.779 1.000 1 A 84.350 1
ATOM 893 C CG2 . VAL 53 53 ? A 14.131 5.676 -19.228 1.000 1 A 84.350 1
ATOM 894 H H . VAL 53 53 ? A 12.045 6.723 -20.999 1.000 1 A 84.350 1
ATOM 895 H HA . VAL 53 53 ? A 14.852 6.753 -21.537 1.000 1 A 84.350 1
ATOM 896 H HB . VAL 53 53 ? A 12.979 4.533 -20.643 1.000 1 A 84.350 1
ATOM 897 H HG11 . VAL 53 53 ? A 14.873 3.403 -21.674 1.000 1 A 84.350 1
ATOM 898 H HG12 . VAL 53 53 ? A 16.021 4.488 -20.859 1.000 1 A 84.350 1
ATOM 899 H HG13 . VAL 53 53 ? A 15.057 3.323 -19.923 1.000 1 A 84.350 1
ATOM 900 H HG21 . VAL 53 53 ? A 13.420 6.487 -19.070 1.000 1 A 84.350 1
ATOM 901 H HG22 . VAL 53 53 ? A 15.138 6.084 -19.142 1.000 1 A 84.350 1
ATOM 902 H HG23 . VAL 53 53 ? A 13.980 4.922 -18.456 1.000 1 A 84.350 1
ATOM 903 N N . GLN 54 54 ? A 13.075 5.025 -23.731 1.000 1 A 82.060 1
ATOM 904 C CA . GLN 54 54 ? A 13.141 4.548 -25.114 1.000 1 A 82.060 1
ATOM 905 C C . GLN 54 54 ? A 13.532 5.659 -26.088 1.000 1 A 82.060 1
ATOM 906 O O . GLN 54 54 ? A 14.414 5.440 -26.908 1.000 1 A 82.060 1
ATOM 907 C CB . GLN 54 54 ? A 11.816 3.920 -25.566 1.000 1 A 82.060 1
ATOM 908 C CG . GLN 54 54 ? A 11.689 2.442 -25.165 1.000 1 A 82.060 1
ATOM 909 C CD . GLN 54 54 ? A 11.040 1.604 -26.265 1.000 1 A 82.060 1
ATOM 910 O OE1 . GLN 54 54 ? A 10.179 2.031 -27.012 1.000 1 A 82.060 1
ATOM 911 N NE2 . GLN 54 54 ? A 11.426 0.357 -26.417 1.000 1 A 82.060 1
ATOM 912 H H . GLN 54 54 ? A 12.184 5.007 -23.256 1.000 1 A 82.060 1
ATOM 913 H HA . GLN 54 54 ? A 13.931 3.801 -25.189 1.000 1 A 82.060 1
ATOM 914 H HB2 . GLN 54 54 ? A 10.968 4.490 -25.186 1.000 1 A 82.060 1
ATOM 915 H HB3 . GLN 54 54 ? A 11.790 3.980 -26.654 1.000 1 A 82.060 1
ATOM 916 H HG2 . GLN 54 54 ? A 11.101 2.358 -24.252 1.000 1 A 82.060 1
ATOM 917 H HG3 . GLN 54 54 ? A 12.678 2.027 -24.966 1.000 1 A 82.060 1
ATOM 918 H HE21 . GLN 54 54 ? A 10.973 -0.147 -27.166 1.000 1 A 82.060 1
ATOM 919 H HE22 . GLN 54 54 ? A 12.150 -0.037 -25.833 1.000 1 A 82.060 1
ATOM 920 N N . HIS 55 55 ? A 12.948 6.854 -25.978 1.000 1 A 80.720 1
ATOM 921 C CA . HIS 55 55 ? A 13.316 7.978 -26.838 1.000 1 A 80.720 1
ATOM 922 C C . HIS 55 55 ? A 14.777 8.413 -26.626 1.000 1 A 80.720 1
ATOM 923 O O . HIS 55 55 ? A 15.457 8.774 -27.583 1.000 1 A 80.720 1
ATOM 924 C CB . HIS 55 55 ? A 12.342 9.137 -26.594 1.000 1 A 80.720 1
ATOM 925 C CG . HIS 55 55 ? A 12.476 10.251 -27.602 1.000 1 A 80.720 1
ATOM 926 N ND1 . HIS 55 55 ? A 13.602 11.006 -27.847 1.000 1 A 80.720 1
ATOM 927 C CD2 . HIS 55 55 ? A 11.516 10.671 -28.482 1.000 1 A 80.720 1
ATOM 928 C CE1 . HIS 55 55 ? A 13.324 11.859 -28.845 1.000 1 A 80.720 1
ATOM 929 N NE2 . HIS 55 55 ? A 12.057 11.701 -29.257 1.000 1 A 80.720 1
ATOM 930 H H . HIS 55 55 ? A 12.205 6.983 -25.305 1.000 1 A 80.720 1
ATOM 931 H HA . HIS 55 55 ? A 13.220 7.664 -27.877 1.000 1 A 80.720 1
ATOM 932 H HB2 . HIS 55 55 ? A 12.501 9.543 -25.595 1.000 1 A 80.720 1
ATOM 933 H HB3 . HIS 55 55 ? A 11.323 8.754 -26.644 1.000 1 A 80.720 1
ATOM 934 H HD1 . HIS 55 55 ? A 14.532 10.791 -27.518 1.000 1 A 80.720 1
ATOM 935 H HD2 . HIS 55 55 ? A 10.517 10.270 -28.568 1.000 1 A 80.720 1
ATOM 936 H HE1 . HIS 55 55 ? A 14.036 12.530 -29.303 1.000 1 A 80.720 1
ATOM 937 N N . CYS 56 56 ? A 15.285 8.370 -25.392 1.000 1 A 81.360 1
ATOM 938 C CA . CYS 56 56 ? A 16.692 8.651 -25.107 1.000 1 A 81.360 1
ATOM 939 C C . CYS 56 56 ? A 17.629 7.588 -25.693 1.000 1 A 81.360 1
ATOM 940 O O . CYS 56 56 ? A 18.703 7.940 -26.161 1.000 1 A 81.360 1
ATOM 941 C CB . CYS 56 56 ? A 16.900 8.769 -23.591 1.000 1 A 81.360 1
ATOM 942 S SG . CYS 56 56 ? A 16.162 10.303 -22.957 1.000 1 A 81.360 1
ATOM 943 H H . CYS 56 56 ? A 14.672 8.154 -24.619 1.000 1 A 81.360 1
ATOM 944 H HA . CYS 56 56 ? A 16.973 9.595 -25.574 1.000 1 A 81.360 1
ATOM 945 H HB2 . CYS 56 56 ? A 16.460 7.906 -23.091 1.000 1 A 81.360 1
ATOM 946 H HB3 . CYS 56 56 ? A 17.970 8.783 -23.383 1.000 1 A 81.360 1
ATOM 947 H HG . CYS 56 56 ? A 16.870 11.142 -23.719 1.000 1 A 81.360 1
ATOM 948 N N . ILE 57 57 ? A 17.235 6.310 -25.681 1.000 1 A 81.510 1
ATOM 949 C CA . ILE 57 57 ? A 18.048 5.216 -26.231 1.000 1 A 81.510 1
ATOM 950 C C . ILE 57 57 ? A 17.998 5.203 -27.763 1.000 1 A 81.510 1
ATOM 951 O O . ILE 57 57 ? A 19.026 5.000 -28.391 1.000 1 A 81.510 1
ATOM 952 C CB . ILE 57 57 ? A 17.616 3.862 -25.621 1.000 1 A 81.510 1
ATOM 953 C CG1 . ILE 57 57 ? A 17.959 3.820 -24.113 1.000 1 A 81.510 1
ATOM 954 C CG2 . ILE 57 57 ? A 18.300 2.677 -26.334 1.000 1 A 81.510 1
ATOM 955 C CD1 . ILE 57 57 ? A 17.296 2.657 -23.363 1.000 1 A 81.510 1
ATOM 956 H H . ILE 57 57 ? A 16.351 6.083 -25.249 1.000 1 A 81.510 1
ATOM 957 H HA . ILE 57 57 ? A 19.091 5.386 -25.965 1.000 1 A 81.510 1
ATOM 958 H HB . ILE 57 57 ? A 16.538 3.759 -25.744 1.000 1 A 81.510 1
ATOM 959 H HG12 . ILE 57 57 ? A 19.040 3.751 -23.989 1.000 1 A 81.510 1
ATOM 960 H HG13 . ILE 57 57 ? A 17.641 4.744 -23.632 1.000 1 A 81.510 1
ATOM 961 H HG21 . ILE 57 57 ? A 19.384 2.790 -26.290 1.000 1 A 81.510 1
ATOM 962 H HG22 . ILE 57 57 ? A 18.015 1.728 -25.879 1.000 1 A 81.510 1
ATOM 963 H HG23 . ILE 57 57 ? A 17.998 2.634 -27.380 1.000 1 A 81.510 1
ATOM 964 H HD11 . ILE 57 57 ? A 17.476 2.773 -22.294 1.000 1 A 81.510 1
ATOM 965 H HD12 . ILE 57 57 ? A 17.715 1.703 -23.680 1.000 1 A 81.510 1
ATOM 966 H HD13 . ILE 57 57 ? A 16.221 2.664 -23.546 1.000 1 A 81.510 1
ATOM 967 N N . SER 58 58 ? A 16.830 5.421 -28.373 1.000 1 A 73.860 1
ATOM 968 C CA . SER 58 58 ? A 16.669 5.431 -29.835 1.000 1 A 73.860 1
ATOM 969 C C . SER 58 58 ? A 17.146 6.723 -30.507 1.000 1 A 73.860 1
ATOM 970 O O . SER 58 58 ? A 17.238 6.760 -31.729 1.000 1 A 73.860 1
ATOM 971 C CB . SER 58 58 ? A 15.203 5.178 -30.207 1.000 1 A 73.860 1
ATOM 972 O OG . SER 58 58 ? A 14.804 3.881 -29.801 1.000 1 A 73.860 1
ATOM 973 H H . SER 58 58 ? A 15.999 5.521 -27.807 1.000 1 A 73.860 1
ATOM 974 H HA . SER 58 58 ? A 17.277 4.631 -30.260 1.000 1 A 73.860 1
ATOM 975 H HB2 . SER 58 58 ? A 14.568 5.924 -29.730 1.000 1 A 73.860 1
ATOM 976 H HB3 . SER 58 58 ? A 15.088 5.257 -31.288 1.000 1 A 73.860 1
ATOM 977 H HG . SER 58 58 ? A 15.476 3.269 -30.109 1.000 1 A 73.860 1
ATOM 978 N N . GLY 59 59 ? A 17.395 7.786 -29.734 1.000 1 A 59.010 1
ATOM 979 C CA . GLY 59 59 ? A 17.948 9.055 -30.216 1.000 1 A 59.010 1
ATOM 980 C C . GLY 59 59 ? A 19.479 9.154 -30.167 1.000 1 A 59.010 1
ATOM 981 O O . GLY 59 59 ? A 20.007 10.208 -30.519 1.000 1 A 59.010 1
ATOM 982 H H . GLY 59 59 ? A 17.248 7.692 -28.739 1.000 1 A 59.010 1
ATOM 983 H HA2 . GLY 59 59 ? A 17.643 9.215 -31.251 1.000 1 A 59.010 1
ATOM 984 H HA3 . GLY 59 59 ? A 17.542 9.865 -29.610 1.000 1 A 59.010 1
ATOM 985 N N . ILE 60 60 ? A 20.167 8.098 -29.714 1.000 1 A 53.090 1
ATOM 986 C CA . ILE 60 60 ? A 21.626 7.895 -29.818 1.000 1 A 53.090 1
ATOM 987 C C . ILE 60 60 ? A 21.885 6.958 -30.997 1.000 1 A 53.090 1
ATOM 988 O O . ILE 60 60 ? A 22.823 7.249 -31.771 1.000 1 A 53.090 1
ATOM 989 C CB . ILE 60 60 ? A 22.190 7.329 -28.494 1.000 1 A 53.090 1
ATOM 990 C CG1 . ILE 60 60 ? A 22.019 8.345 -27.341 1.000 1 A 53.090 1
ATOM 991 C CG2 . ILE 60 60 ? A 23.678 6.959 -28.658 1.000 1 A 53.090 1
ATOM 992 C CD1 . ILE 60 60 ? A 22.307 7.763 -25.950 1.000 1 A 53.090 1
ATOM 993 O OXT . ILE 60 60 ? A 21.143 5.955 -31.074 1.000 1 A 53.090 1
ATOM 994 H H . ILE 60 60 ? A 19.648 7.248 -29.547 1.000 1 A 53.090 1
ATOM 995 H HA . ILE 60 60 ? A 22.125 8.833 -30.062 1.000 1 A 53.090 1
ATOM 996 H HB . ILE 60 60 ? A 21.632 6.424 -28.255 1.000 1 A 53.090 1
ATOM 997 H HG12 . ILE 60 60 ? A 22.669 9.203 -27.515 1.000 1 A 53.090 1
ATOM 998 H HG13 . ILE 60 60 ? A 20.991 8.706 -27.331 1.000 1 A 53.090 1
ATOM 999 H HG21 . ILE 60 60 ? A 23.784 6.189 -29.422 1.000 1 A 53.090 1
ATOM 1000 H HG22 . ILE 60 60 ? A 24.244 7.836 -28.973 1.000 1 A 53.090 1
ATOM 1001 H HG23 . ILE 60 60 ? A 24.087 6.559 -27.731 1.000 1 A 53.090 1
ATOM 1002 H HD11 . ILE 60 60 ? A 22.050 8.504 -25.193 1.000 1 A 53.090 1
ATOM 1003 H HD12 . ILE 60 60 ? A 23.363 7.513 -25.847 1.000 1 A 53.090 1
ATOM 1004 H HD13 . ILE 60 60 ? A 21.700 6.871 -25.791 1.000 1 A 53.090 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 74.591

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 58.610
2 1 A 2 HIS 2 53.240
3 1 A 3 SER 2 62.100
4 1 A 4 ASN 2 62.670
5 1 A 5 VAL 2 63.210
6 1 A 6 SER 2 66.230
7 1 A 7 PHE 2 65.380
8 1 A 8 ASN 2 65.640
9 1 A 9 PHE 2 69.590
10 1 A 10 ILE 2 72.510
11 1 A 11 ALA 2 65.980
12 1 A 12 CYS 2 67.610
13 1 A 13 VAL 2 72.490
14 1 A 14 LEU 2 68.630
15 1 A 15 PHE 2 62.890
16 1 A 16 PRO 2 63.070
17 1 A 17 THR 2 66.220
18 1 A 18 PRO 2 61.550
19 1 A 19 LEU 2 63.010
20 1 A 20 ILE 2 67.750
21 1 A 21 PRO 2 66.580
22 1 A 22 SER 2 68.270
23 1 A 23 MET 2 66.140
24 1 A 24 ALA 2 67.600
25 1 A 25 MET 2 68.530
26 1 A 26 SER 2 71.560
27 1 A 27 ILE 2 74.260
28 1 A 28 PRO 2 74.370
29 1 A 29 ARG 2 77.770
30 1 A 30 MET 2 77.300
31 1 A 31 ILE 2 80.610
32 1 A 32 ASN 2 81.900
33 1 A 33 LYS 2 82.100
34 1 A 34 ARG 2 79.390
35 1 A 35 LYS 2 82.340
36 1 A 36 LYS 2 83.890
37 1 A 37 ARG 2 82.850
38 1 A 38 ILE 2 85.040
39 1 A 39 GLN 2 84.010
40 1 A 40 PHE 2 84.400
41 1 A 41 LEU 2 86.220
42 1 A 42 THR 2 86.880
43 1 A 43 PHE 2 87.040
44 1 A 44 LEU 2 88.040
45 1 A 45 THR 2 87.930
46 1 A 46 ASN 2 87.390
47 1 A 47 LEU 2 89.000
48 1 A 48 PHE 2 86.090
49 1 A 49 LEU 2 86.370
50 1 A 50 TYR 2 87.100
51 1 A 51 ASN 2 84.970
52 1 A 52 ILE 2 85.180
53 1 A 53 VAL 2 84.350
54 1 A 54 GLN 2 82.060
55 1 A 55 HIS 2 80.720
56 1 A 56 CYS 2 81.360
57 1 A 57 ILE 2 81.510
58 1 A 58 SER 2 73.860
59 1 A 59 GLY 2 59.010
60 1 A 60 ILE 2 53.090

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-003
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-003

_pdbx_database_status.entry_id ma-asfv-asfvg-003
_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'