data_ma-asfv-asfvg-004
_entry.id ma-asfv-asfvg-004
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-004
_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 A137R'

_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'
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'
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'
HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core'
ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core'
LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core'
LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core'
MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core'
PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core'
PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core'
SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core'
THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core'
TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core'
TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core'
VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core'

loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.details
1 polymer nat 'ASFV-G A137R protein' 18564.815 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 . A0A2X0THQ0_ASF A0A2X0THQ0 . 1 137 10497 'African swine fever virus (ASFV)' 2018-09-12 8885DD4366D17086
1 NCBI . CAD2068404.1 1886136929 . 1 137 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
;MEAVLTKLDQEEKKALQNFHRCAWEETKNIINDFLEIPEERCTYKFNSYTKKMELLFTPEFHTAWHEVPE
CREFILNFLRLISGHRVVLKGPTFVFTKEIKNLGIPSTINVDFQANIENMDDLQKGNLIGKMNIKEG
;
;MEAVLTKLDQEEKKALQNFHRCAWEETKNIINDFLEIPEERCTYKFNSYTKKMELLFTPEFHTAWHEVPE
CREFILNFLRLISGHRVVLKGPTFVFTKEIKNLGIPSTINVDFQANIENMDDLQKGNLIGKMNIKEG
;

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET .
1 2 GLU .
1 3 ALA .
1 4 VAL .
1 5 LEU .
1 6 THR .
1 7 LYS .
1 8 LEU .
1 9 ASP .
1 10 GLN .
1 11 GLU .
1 12 GLU .
1 13 LYS .
1 14 LYS .
1 15 ALA .
1 16 LEU .
1 17 GLN .
1 18 ASN .
1 19 PHE .
1 20 HIS .
1 21 ARG .
1 22 CYS .
1 23 ALA .
1 24 TRP .
1 25 GLU .
1 26 GLU .
1 27 THR .
1 28 LYS .
1 29 ASN .
1 30 ILE .
1 31 ILE .
1 32 ASN .
1 33 ASP .
1 34 PHE .
1 35 LEU .
1 36 GLU .
1 37 ILE .
1 38 PRO .
1 39 GLU .
1 40 GLU .
1 41 ARG .
1 42 CYS .
1 43 THR .
1 44 TYR .
1 45 LYS .
1 46 PHE .
1 47 ASN .
1 48 SER .
1 49 TYR .
1 50 THR .
1 51 LYS .
1 52 LYS .
1 53 MET .
1 54 GLU .
1 55 LEU .
1 56 LEU .
1 57 PHE .
1 58 THR .
1 59 PRO .
1 60 GLU .
1 61 PHE .
1 62 HIS .
1 63 THR .
1 64 ALA .
1 65 TRP .
1 66 HIS .
1 67 GLU .
1 68 VAL .
1 69 PRO .
1 70 GLU .
1 71 CYS .
1 72 ARG .
1 73 GLU .
1 74 PHE .
1 75 ILE .
1 76 LEU .
1 77 ASN .
1 78 PHE .
1 79 LEU .
1 80 ARG .
1 81 LEU .
1 82 ILE .
1 83 SER .
1 84 GLY .
1 85 HIS .
1 86 ARG .
1 87 VAL .
1 88 VAL .
1 89 LEU .
1 90 LYS .
1 91 GLY .
1 92 PRO .
1 93 THR .
1 94 PHE .
1 95 VAL .
1 96 PHE .
1 97 THR .
1 98 LYS .
1 99 GLU .
1 100 ILE .
1 101 LYS .
1 102 ASN .
1 103 LEU .
1 104 GLY .
1 105 ILE .
1 106 PRO .
1 107 SER .
1 108 THR .
1 109 ILE .
1 110 ASN .
1 111 VAL .
1 112 ASP .
1 113 PHE .
1 114 GLN .
1 115 ALA .
1 116 ASN .
1 117 ILE .
1 118 GLU .
1 119 ASN .
1 120 MET .
1 121 ASP .
1 122 ASP .
1 123 LEU .
1 124 GLN .
1 125 LYS .
1 126 GLY .
1 127 ASN .
1 128 LEU .
1 129 ILE .
1 130 GLY .
1 131 LYS .
1 132 MET .
1 133 ASN .
1 134 ILE .
1 135 LYS .
1 136 GLU .
1 137 GLY .

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 GLU 2 2 GLU GLU A .
A 1 3 ALA 3 3 ALA ALA A .
A 1 4 VAL 4 4 VAL VAL A .
A 1 5 LEU 5 5 LEU LEU A .
A 1 6 THR 6 6 THR THR A .
A 1 7 LYS 7 7 LYS LYS A .
A 1 8 LEU 8 8 LEU LEU A .
A 1 9 ASP 9 9 ASP ASP A .
A 1 10 GLN 10 10 GLN GLN A .
A 1 11 GLU 11 11 GLU GLU A .
A 1 12 GLU 12 12 GLU GLU A .
A 1 13 LYS 13 13 LYS LYS A .
A 1 14 LYS 14 14 LYS LYS A .
A 1 15 ALA 15 15 ALA ALA A .
A 1 16 LEU 16 16 LEU LEU A .
A 1 17 GLN 17 17 GLN GLN A .
A 1 18 ASN 18 18 ASN ASN A .
A 1 19 PHE 19 19 PHE PHE A .
A 1 20 HIS 20 20 HIS HIS A .
A 1 21 ARG 21 21 ARG ARG A .
A 1 22 CYS 22 22 CYS CYS A .
A 1 23 ALA 23 23 ALA ALA A .
A 1 24 TRP 24 24 TRP TRP A .
A 1 25 GLU 25 25 GLU GLU A .
A 1 26 GLU 26 26 GLU GLU A .
A 1 27 THR 27 27 THR THR A .
A 1 28 LYS 28 28 LYS LYS A .
A 1 29 ASN 29 29 ASN ASN A .
A 1 30 ILE 30 30 ILE ILE A .
A 1 31 ILE 31 31 ILE ILE A .
A 1 32 ASN 32 32 ASN ASN A .
A 1 33 ASP 33 33 ASP ASP A .
A 1 34 PHE 34 34 PHE PHE A .
A 1 35 LEU 35 35 LEU LEU A .
A 1 36 GLU 36 36 GLU GLU A .
A 1 37 ILE 37 37 ILE ILE A .
A 1 38 PRO 38 38 PRO PRO A .
A 1 39 GLU 39 39 GLU GLU A .
A 1 40 GLU 40 40 GLU GLU A .
A 1 41 ARG 41 41 ARG ARG A .
A 1 42 CYS 42 42 CYS CYS A .
A 1 43 THR 43 43 THR THR A .
A 1 44 TYR 44 44 TYR TYR A .
A 1 45 LYS 45 45 LYS LYS A .
A 1 46 PHE 46 46 PHE PHE A .
A 1 47 ASN 47 47 ASN ASN A .
A 1 48 SER 48 48 SER SER A .
A 1 49 TYR 49 49 TYR TYR A .
A 1 50 THR 50 50 THR THR A .
A 1 51 LYS 51 51 LYS LYS A .
A 1 52 LYS 52 52 LYS LYS A .
A 1 53 MET 53 53 MET MET A .
A 1 54 GLU 54 54 GLU GLU A .
A 1 55 LEU 55 55 LEU LEU A .
A 1 56 LEU 56 56 LEU LEU A .
A 1 57 PHE 57 57 PHE PHE A .
A 1 58 THR 58 58 THR THR A .
A 1 59 PRO 59 59 PRO PRO A .
A 1 60 GLU 60 60 GLU GLU A .
A 1 61 PHE 61 61 PHE PHE A .
A 1 62 HIS 62 62 HIS HIS A .
A 1 63 THR 63 63 THR THR A .
A 1 64 ALA 64 64 ALA ALA A .
A 1 65 TRP 65 65 TRP TRP A .
A 1 66 HIS 66 66 HIS HIS A .
A 1 67 GLU 67 67 GLU GLU A .
A 1 68 VAL 68 68 VAL VAL A .
A 1 69 PRO 69 69 PRO PRO A .
A 1 70 GLU 70 70 GLU GLU A .
A 1 71 CYS 71 71 CYS CYS A .
A 1 72 ARG 72 72 ARG ARG A .
A 1 73 GLU 73 73 GLU GLU A .
A 1 74 PHE 74 74 PHE PHE A .
A 1 75 ILE 75 75 ILE ILE A .
A 1 76 LEU 76 76 LEU LEU A .
A 1 77 ASN 77 77 ASN ASN A .
A 1 78 PHE 78 78 PHE PHE A .
A 1 79 LEU 79 79 LEU LEU A .
A 1 80 ARG 80 80 ARG ARG A .
A 1 81 LEU 81 81 LEU LEU A .
A 1 82 ILE 82 82 ILE ILE A .
A 1 83 SER 83 83 SER SER A .
A 1 84 GLY 84 84 GLY GLY A .
A 1 85 HIS 85 85 HIS HIS A .
A 1 86 ARG 86 86 ARG ARG A .
A 1 87 VAL 87 87 VAL VAL A .
A 1 88 VAL 88 88 VAL VAL A .
A 1 89 LEU 89 89 LEU LEU A .
A 1 90 LYS 90 90 LYS LYS A .
A 1 91 GLY 91 91 GLY GLY A .
A 1 92 PRO 92 92 PRO PRO A .
A 1 93 THR 93 93 THR THR A .
A 1 94 PHE 94 94 PHE PHE A .
A 1 95 VAL 95 95 VAL VAL A .
A 1 96 PHE 96 96 PHE PHE A .
A 1 97 THR 97 97 THR THR A .
A 1 98 LYS 98 98 LYS LYS A .
A 1 99 GLU 99 99 GLU GLU A .
A 1 100 ILE 100 100 ILE ILE A .
A 1 101 LYS 101 101 LYS LYS A .
A 1 102 ASN 102 102 ASN ASN A .
A 1 103 LEU 103 103 LEU LEU A .
A 1 104 GLY 104 104 GLY GLY A .
A 1 105 ILE 105 105 ILE ILE A .
A 1 106 PRO 106 106 PRO PRO A .
A 1 107 SER 107 107 SER SER A .
A 1 108 THR 108 108 THR THR A .
A 1 109 ILE 109 109 ILE ILE A .
A 1 110 ASN 110 110 ASN ASN A .
A 1 111 VAL 111 111 VAL VAL A .
A 1 112 ASP 112 112 ASP ASP A .
A 1 113 PHE 113 113 PHE PHE A .
A 1 114 GLN 114 114 GLN GLN A .
A 1 115 ALA 115 115 ALA ALA A .
A 1 116 ASN 116 116 ASN ASN A .
A 1 117 ILE 117 117 ILE ILE A .
A 1 118 GLU 118 118 GLU GLU A .
A 1 119 ASN 119 119 ASN ASN A .
A 1 120 MET 120 120 MET MET A .
A 1 121 ASP 121 121 ASP ASP A .
A 1 122 ASP 122 122 ASP ASP A .
A 1 123 LEU 123 123 LEU LEU A .
A 1 124 GLN 124 124 GLN GLN A .
A 1 125 LYS 125 125 LYS LYS A .
A 1 126 GLY 126 126 GLY GLY A .
A 1 127 ASN 127 127 ASN ASN A .
A 1 128 LEU 128 128 LEU LEU A .
A 1 129 ILE 129 129 ILE ILE A .
A 1 130 GLY 130 130 GLY GLY A .
A 1 131 LYS 131 131 LYS LYS A .
A 1 132 MET 132 132 MET MET A .
A 1 133 ASN 133 133 ASN ASN A .
A 1 134 ILE 134 134 ILE ILE A .
A 1 135 LYS 135 135 LYS LYS A .
A 1 136 GLU 136 136 GLU GLU A .
A 1 137 GLY 137 137 GLY GLY A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G A137R protein' target .
2 'Model 3 (top ranked model)' 'model coordinates' .
3 BFD 'reference database' .
4 MGnify 'reference database' .
5 Uniclust30 'reference database' .
8 UniRef90 'reference database' .
9 PDB70 'reference database' .

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

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

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

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

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

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

loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.label_entity_id
_atom_site.auth_asym_id
_atom_site.B_iso_or_equiv
_atom_site.pdbx_PDB_model_num
ATOM 1 N N . MET 1 1 ? A -22.463 5.340 22.772 1.000 1 A 27.340 1
ATOM 2 C CA . MET 1 1 ? A -22.381 3.872 22.660 1.000 1 A 27.340 1
ATOM 3 C C . MET 1 1 ? A -21.159 3.604 21.801 1.000 1 A 27.340 1
ATOM 4 O O . MET 1 1 ? A -21.242 3.762 20.592 1.000 1 A 27.340 1
ATOM 5 C CB . MET 1 1 ? A -23.703 3.325 22.080 1.000 1 A 27.340 1
ATOM 6 C CG . MET 1 1 ? A -23.939 1.835 22.327 1.000 1 A 27.340 1
ATOM 7 S SD . MET 1 1 ? A -25.592 1.316 21.789 1.000 1 A 27.340 1
ATOM 8 C CE . MET 1 1 ? A -25.351 -0.478 21.689 1.000 1 A 27.340 1
ATOM 9 H H . MET 1 1 ? A -21.619 5.704 23.189 1.000 1 A 27.340 1
ATOM 10 H H2 . MET 1 1 ? A -23.261 5.609 23.330 1.000 1 A 27.340 1
ATOM 11 H HA . MET 1 1 ? A -22.220 3.435 23.645 1.000 1 A 27.340 1
ATOM 12 H HB2 . MET 1 1 ? A -24.526 3.857 22.557 1.000 1 A 27.340 1
ATOM 13 H HB3 . MET 1 1 ? A -23.762 3.527 21.010 1.000 1 A 27.340 1
ATOM 14 H HG2 . MET 1 1 ? A -23.833 1.618 23.390 1.000 1 A 27.340 1
ATOM 15 H HG3 . MET 1 1 ? A -23.189 1.267 21.777 1.000 1 A 27.340 1
ATOM 16 H HE1 . MET 1 1 ? A -25.093 -0.870 22.672 1.000 1 A 27.340 1
ATOM 17 H HE2 . MET 1 1 ? A -26.272 -0.948 21.345 1.000 1 A 27.340 1
ATOM 18 H HE3 . MET 1 1 ? A -24.550 -0.704 20.984 1.000 1 A 27.340 1
ATOM 19 H H3 . MET 1 1 ? A -22.554 5.733 21.846 1.000 1 A 27.340 1
ATOM 20 N N . GLU 2 2 ? A -19.994 3.420 22.428 1.000 1 A 27.250 1
ATOM 21 C CA . GLU 2 2 ? A -18.734 3.198 21.705 1.000 1 A 27.250 1
ATOM 22 C C . GLU 2 2 ? A -18.906 1.979 20.805 1.000 1 A 27.250 1
ATOM 23 O O . GLU 2 2 ? A -19.335 0.919 21.268 1.000 1 A 27.250 1
ATOM 24 C CB . GLU 2 2 ? A -17.574 2.978 22.690 1.000 1 A 27.250 1
ATOM 25 C CG . GLU 2 2 ? A -17.135 4.286 23.365 1.000 1 A 27.250 1
ATOM 26 C CD . GLU 2 2 ? A -16.033 4.069 24.414 1.000 1 A 27.250 1
ATOM 27 O OE1 . GLU 2 2 ? A -15.177 4.969 24.542 1.000 1 A 27.250 1
ATOM 28 O OE2 . GLU 2 2 ? A -16.093 3.027 25.103 1.000 1 A 27.250 1
ATOM 29 H H . GLU 2 2 ? A -19.950 3.268 23.425 1.000 1 A 27.250 1
ATOM 30 H HA . GLU 2 2 ? A -18.502 4.061 21.081 1.000 1 A 27.250 1
ATOM 31 H HB2 . GLU 2 2 ? A -16.722 2.571 22.145 1.000 1 A 27.250 1
ATOM 32 H HB3 . GLU 2 2 ? A -17.887 2.250 23.438 1.000 1 A 27.250 1
ATOM 33 H HG2 . GLU 2 2 ? A -16.791 4.975 22.594 1.000 1 A 27.250 1
ATOM 34 H HG3 . GLU 2 2 ? A -18.000 4.737 23.852 1.000 1 A 27.250 1
ATOM 35 N N . ALA 3 3 ? A -18.644 2.145 19.508 1.000 1 A 34.490 1
ATOM 36 C CA . ALA 3 3 ? A -18.631 1.037 18.577 1.000 1 A 34.490 1
ATOM 37 C C . ALA 3 3 ? A -17.586 0.044 19.084 1.000 1 A 34.490 1
ATOM 38 O O . ALA 3 3 ? A -16.382 0.282 18.990 1.000 1 A 34.490 1
ATOM 39 C CB . ALA 3 3 ? A -18.325 1.563 17.168 1.000 1 A 34.490 1
ATOM 40 H H . ALA 3 3 ? A -18.316 3.041 19.178 1.000 1 A 34.490 1
ATOM 41 H HA . ALA 3 3 ? A -19.610 0.559 18.569 1.000 1 A 34.490 1
ATOM 42 H HB1 . ALA 3 3 ? A -19.098 2.267 16.859 1.000 1 A 34.490 1
ATOM 43 H HB2 . ALA 3 3 ? A -18.300 0.732 16.465 1.000 1 A 34.490 1
ATOM 44 H HB3 . ALA 3 3 ? A -17.358 2.066 17.155 1.000 1 A 34.490 1
ATOM 45 N N . VAL 4 4 ? A -18.055 -1.058 19.669 1.000 1 A 28.270 1
ATOM 46 C CA . VAL 4 4 ? A -17.220 -2.207 19.987 1.000 1 A 28.270 1
ATOM 47 C C . VAL 4 4 ? A -16.737 -2.724 18.640 1.000 1 A 28.270 1
ATOM 48 O O . VAL 4 4 ? A -17.418 -3.495 17.968 1.000 1 A 28.270 1
ATOM 49 C CB . VAL 4 4 ? A -17.987 -3.259 20.814 1.000 1 A 28.270 1
ATOM 50 C CG1 . VAL 4 4 ? A -17.112 -4.484 21.115 1.000 1 A 28.270 1
ATOM 51 C CG2 . VAL 4 4 ? A -18.442 -2.669 22.157 1.000 1 A 28.270 1
ATOM 52 H H . VAL 4 4 ? A -19.042 -1.096 19.881 1.000 1 A 28.270 1
ATOM 53 H HA . VAL 4 4 ? A -16.361 -1.874 20.569 1.000 1 A 28.270 1
ATOM 54 H HB . VAL 4 4 ? A -18.870 -3.585 20.264 1.000 1 A 28.270 1
ATOM 55 H HG11 . VAL 4 4 ? A -17.674 -5.195 21.720 1.000 1 A 28.270 1
ATOM 56 H HG12 . VAL 4 4 ? A -16.823 -4.978 20.187 1.000 1 A 28.270 1
ATOM 57 H HG13 . VAL 4 4 ? A -16.217 -4.179 21.658 1.000 1 A 28.270 1
ATOM 58 H HG21 . VAL 4 4 ? A -17.582 -2.312 22.723 1.000 1 A 28.270 1
ATOM 59 H HG22 . VAL 4 4 ? A -18.965 -3.428 22.738 1.000 1 A 28.270 1
ATOM 60 H HG23 . VAL 4 4 ? A -19.124 -1.835 21.994 1.000 1 A 28.270 1
ATOM 61 N N . LEU 5 5 ? A -15.585 -2.207 18.210 1.000 1 A 31.020 1
ATOM 62 C CA . LEU 5 5 ? A -14.786 -2.683 17.095 1.000 1 A 31.020 1
ATOM 63 C C . LEU 5 5 ? A -14.491 -4.151 17.385 1.000 1 A 31.020 1
ATOM 64 O O . LEU 5 5 ? A -13.493 -4.486 18.024 1.000 1 A 31.020 1
ATOM 65 C CB . LEU 5 5 ? A -13.488 -1.847 17.018 1.000 1 A 31.020 1
ATOM 66 C CG . LEU 5 5 ? A -13.654 -0.428 16.444 1.000 1 A 31.020 1
ATOM 67 C CD1 . LEU 5 5 ? A -12.462 0.436 16.854 1.000 1 A 31.020 1
ATOM 68 C CD2 . LEU 5 5 ? A -13.722 -0.465 14.915 1.000 1 A 31.020 1
ATOM 69 H H . LEU 5 5 ? A -15.247 -1.404 18.719 1.000 1 A 31.020 1
ATOM 70 H HA . LEU 5 5 ? A -15.351 -2.601 16.166 1.000 1 A 31.020 1
ATOM 71 H HB2 . LEU 5 5 ? A -12.755 -2.378 16.411 1.000 1 A 31.020 1
ATOM 72 H HB3 . LEU 5 5 ? A -13.075 -1.773 18.024 1.000 1 A 31.020 1
ATOM 73 H HG . LEU 5 5 ? A -14.565 0.026 16.835 1.000 1 A 31.020 1
ATOM 74 H HD11 . LEU 5 5 ? A -12.424 0.528 17.940 1.000 1 A 31.020 1
ATOM 75 H HD12 . LEU 5 5 ? A -12.576 1.437 16.439 1.000 1 A 31.020 1
ATOM 76 H HD13 . LEU 5 5 ? A -11.529 0.010 16.487 1.000 1 A 31.020 1
ATOM 77 H HD21 . LEU 5 5 ? A -13.841 0.552 14.541 1.000 1 A 31.020 1
ATOM 78 H HD22 . LEU 5 5 ? A -12.801 -0.878 14.500 1.000 1 A 31.020 1
ATOM 79 H HD23 . LEU 5 5 ? A -14.583 -1.049 14.590 1.000 1 A 31.020 1
ATOM 80 N N . THR 6 6 ? A -15.386 -5.040 16.964 1.000 1 A 39.870 1
ATOM 81 C CA . THR 6 6 ? A -15.202 -6.477 17.108 1.000 1 A 39.870 1
ATOM 82 C C . THR 6 6 ? A -13.952 -6.831 16.319 1.000 1 A 39.870 1
ATOM 83 O O . THR 6 6 ? A -13.878 -6.709 15.091 1.000 1 A 39.870 1
ATOM 84 C CB . THR 6 6 ? A -16.445 -7.274 16.680 1.000 1 A 39.870 1
ATOM 85 O OG1 . THR 6 6 ? A -17.115 -6.645 15.609 1.000 1 A 39.870 1
ATOM 86 C CG2 . THR 6 6 ? A -17.445 -7.365 17.834 1.000 1 A 39.870 1
ATOM 87 H H . THR 6 6 ? A -16.272 -4.714 16.605 1.000 1 A 39.870 1
ATOM 88 H HA . THR 6 6 ? A -15.014 -6.700 18.158 1.000 1 A 39.870 1
ATOM 89 H HB . THR 6 6 ? A -16.152 -8.283 16.391 1.000 1 A 39.870 1
ATOM 90 H HG1 . THR 6 6 ? A -17.963 -7.084 15.512 1.000 1 A 39.870 1
ATOM 91 H HG21 . THR 6 6 ? A -18.311 -7.950 17.528 1.000 1 A 39.870 1
ATOM 92 H HG22 . THR 6 6 ? A -16.981 -7.858 18.688 1.000 1 A 39.870 1
ATOM 93 H HG23 . THR 6 6 ? A -17.770 -6.367 18.129 1.000 1 A 39.870 1
ATOM 94 N N . LYS 7 7 ? A -12.884 -7.123 17.062 1.000 1 A 45.230 1
ATOM 95 C CA . LYS 7 7 ? A -11.633 -7.632 16.516 1.000 1 A 45.230 1
ATOM 96 C C . LYS 7 7 ? A -12.002 -8.896 15.738 1.000 1 A 45.230 1
ATOM 97 O O . LYS 7 7 ? A -12.688 -9.742 16.299 1.000 1 A 45.230 1
ATOM 98 C CB . LYS 7 7 ? A -10.658 -7.930 17.675 1.000 1 A 45.230 1
ATOM 99 C CG . LYS 7 7 ? A -10.143 -6.653 18.371 1.000 1 A 45.230 1
ATOM 100 C CD . LYS 7 7 ? A -9.303 -6.971 19.621 1.000 1 A 45.230 1
ATOM 101 C CE . LYS 7 7 ? A -8.780 -5.674 20.258 1.000 1 A 45.230 1
ATOM 102 N NZ . LYS 7 7 ? A -8.096 -5.915 21.556 1.000 1 A 45.230 1
ATOM 103 H H . LYS 7 7 ? A -13.000 -7.095 18.065 1.000 1 A 45.230 1
ATOM 104 H HA . LYS 7 7 ? A -11.201 -6.904 15.830 1.000 1 A 45.230 1
ATOM 105 H HB2 . LYS 7 7 ? A -11.160 -8.565 18.405 1.000 1 A 45.230 1
ATOM 106 H HB3 . LYS 7 7 ? A -9.805 -8.484 17.283 1.000 1 A 45.230 1
ATOM 107 H HG2 . LYS 7 7 ? A -9.539 -6.085 17.664 1.000 1 A 45.230 1
ATOM 108 H HG3 . LYS 7 7 ? A -10.990 -6.037 18.673 1.000 1 A 45.230 1
ATOM 109 H HD2 . LYS 7 7 ? A -8.466 -7.612 19.345 1.000 1 A 45.230 1
ATOM 110 H HD3 . LYS 7 7 ? A -9.934 -7.500 20.336 1.000 1 A 45.230 1
ATOM 111 H HE2 . LYS 7 7 ? A -8.105 -5.182 19.558 1.000 1 A 45.230 1
ATOM 112 H HE3 . LYS 7 7 ? A -9.628 -5.006 20.414 1.000 1 A 45.230 1
ATOM 113 H HZ1 . LYS 7 7 ? A -7.304 -6.533 21.454 1.000 1 A 45.230 1
ATOM 114 H HZ2 . LYS 7 7 ? A -8.739 -6.324 22.219 1.000 1 A 45.230 1
ATOM 115 H HZ3 . LYS 7 7 ? A -7.778 -5.043 21.954 1.000 1 A 45.230 1
ATOM 116 N N . LEU 8 8 ? A -11.557 -9.001 14.482 1.000 1 A 48.790 1
ATOM 117 C CA . LEU 8 8 ? A -11.489 -10.299 13.803 1.000 1 A 48.790 1
ATOM 118 C C . LEU 8 8 ? A -10.854 -11.287 14.786 1.000 1 A 48.790 1
ATOM 119 O O . LEU 8 8 ? A -9.862 -10.923 15.447 1.000 1 A 48.790 1
ATOM 120 C CB . LEU 8 8 ? A -10.610 -10.192 12.542 1.000 1 A 48.790 1
ATOM 121 C CG . LEU 8 8 ? A -11.207 -9.417 11.360 1.000 1 A 48.790 1
ATOM 122 C CD1 . LEU 8 8 ? A -10.096 -9.081 10.363 1.000 1 A 48.790 1
ATOM 123 C CD2 . LEU 8 8 ? A -12.285 -10.219 10.639 1.000 1 A 48.790 1
ATOM 124 H H . LEU 8 8 ? A -11.084 -8.218 14.054 1.000 1 A 48.790 1
ATOM 125 H HA . LEU 8 8 ? A -12.485 -10.657 13.541 1.000 1 A 48.790 1
ATOM 126 H HB2 . LEU 8 8 ? A -10.377 -11.200 12.200 1.000 1 A 48.790 1
ATOM 127 H HB3 . LEU 8 8 ? A -9.677 -9.706 12.828 1.000 1 A 48.790 1
ATOM 128 H HG . LEU 8 8 ? A -11.636 -8.482 11.720 1.000 1 A 48.790 1
ATOM 129 H HD11 . LEU 8 8 ? A -10.514 -8.544 9.511 1.000 1 A 48.790 1
ATOM 130 H HD12 . LEU 8 8 ? A -9.335 -8.455 10.828 1.000 1 A 48.790 1
ATOM 131 H HD13 . LEU 8 8 ? A -9.638 -9.999 9.995 1.000 1 A 48.790 1
ATOM 132 H HD21 . LEU 8 8 ? A -11.865 -11.142 10.239 1.000 1 A 48.790 1
ATOM 133 H HD22 . LEU 8 8 ? A -13.088 -10.488 11.325 1.000 1 A 48.790 1
ATOM 134 H HD23 . LEU 8 8 ? A -12.702 -9.638 9.817 1.000 1 A 48.790 1
ATOM 135 N N . ASP 9 9 ? A -11.429 -12.478 14.913 1.000 1 A 61.350 1
ATOM 136 C CA . ASP 9 9 ? A -10.800 -13.510 15.723 1.000 1 A 61.350 1
ATOM 137 C C . ASP 9 9 ? A -9.431 -13.893 15.117 1.000 1 A 61.350 1
ATOM 138 O O . ASP 9 9 ? A -9.047 -13.471 14.017 1.000 1 A 61.350 1
ATOM 139 C CB . ASP 9 9 ? A -11.765 -14.677 15.990 1.000 1 A 61.350 1
ATOM 140 C CG . ASP 9 9 ? A -12.099 -15.496 14.747 1.000 1 A 61.350 1
ATOM 141 O OD1 . ASP 9 9 ? A -11.130 -15.804 14.018 1.000 1 A 61.350 1
ATOM 142 O OD2 . ASP 9 9 ? A -13.289 -15.821 14.581 1.000 1 A 61.350 1
ATOM 143 H H . ASP 9 9 ? A -12.191 -12.744 14.307 1.000 1 A 61.350 1
ATOM 144 H HA . ASP 9 9 ? A -10.592 -13.073 16.699 1.000 1 A 61.350 1
ATOM 145 H HB2 . ASP 9 9 ? A -12.681 -14.280 16.427 1.000 1 A 61.350 1
ATOM 146 H HB3 . ASP 9 9 ? A -11.310 -15.339 16.726 1.000 1 A 61.350 1
ATOM 147 N N . GLN 10 10 ? A -8.603 -14.596 15.891 1.000 1 A 63.120 1
ATOM 148 C CA . GLN 10 10 ? A -7.238 -14.901 15.454 1.000 1 A 63.120 1
ATOM 149 C C . GLN 10 10 ? A -7.197 -15.797 14.209 1.000 1 A 63.120 1
ATOM 150 O O . GLN 10 10 ? A -6.220 -15.728 13.459 1.000 1 A 63.120 1
ATOM 151 C CB . GLN 10 10 ? A -6.452 -15.560 16.593 1.000 1 A 63.120 1
ATOM 152 C CG . GLN 10 10 ? A -6.061 -14.577 17.707 1.000 1 A 63.120 1
ATOM 153 C CD . GLN 10 10 ? A -5.154 -15.226 18.752 1.000 1 A 63.120 1
ATOM 154 O OE1 . GLN 10 10 ? A -4.977 -16.426 18.821 1.000 1 A 63.120 1
ATOM 155 N NE2 . GLN 10 10 ? A -4.511 -14.458 19.604 1.000 1 A 63.120 1
ATOM 156 H H . GLN 10 10 ? A -8.971 -15.028 16.726 1.000 1 A 63.120 1
ATOM 157 H HA . GLN 10 10 ? A -6.743 -13.970 15.177 1.000 1 A 63.120 1
ATOM 158 H HB2 . GLN 10 10 ? A -5.533 -15.975 16.178 1.000 1 A 63.120 1
ATOM 159 H HB3 . GLN 10 10 ? A -7.035 -16.381 17.011 1.000 1 A 63.120 1
ATOM 160 H HG2 . GLN 10 10 ? A -6.959 -14.210 18.204 1.000 1 A 63.120 1
ATOM 161 H HG3 . GLN 10 10 ? A -5.534 -13.730 17.267 1.000 1 A 63.120 1
ATOM 162 H HE21 . GLN 10 10 ? A -4.642 -13.457 19.621 1.000 1 A 63.120 1
ATOM 163 H HE22 . GLN 10 10 ? A -3.961 -14.960 20.287 1.000 1 A 63.120 1
ATOM 164 N N . GLU 11 11 ? A -8.220 -16.620 13.982 1.000 1 A 67.410 1
ATOM 165 C CA . GLU 11 11 ? A -8.281 -17.543 12.850 1.000 1 A 67.410 1
ATOM 166 C C . GLU 11 11 ? A -8.668 -16.806 11.571 1.000 1 A 67.410 1
ATOM 167 O O . GLU 11 11 ? A -7.975 -16.940 10.562 1.000 1 A 67.410 1
ATOM 168 C CB . GLU 11 11 ? A -9.251 -18.695 13.142 1.000 1 A 67.410 1
ATOM 169 C CG . GLU 11 11 ? A -8.761 -19.553 14.317 1.000 1 A 67.410 1
ATOM 170 C CD . GLU 11 11 ? A -9.559 -20.853 14.487 1.000 1 A 67.410 1
ATOM 171 O OE1 . GLU 11 11 ? A -8.969 -21.785 15.078 1.000 1 A 67.410 1
ATOM 172 O OE2 . GLU 11 11 ? A -10.719 -20.913 14.028 1.000 1 A 67.410 1
ATOM 173 H H . GLU 11 11 ? A -9.079 -16.507 14.501 1.000 1 A 67.410 1
ATOM 174 H HA . GLU 11 11 ? A -7.295 -17.977 12.679 1.000 1 A 67.410 1
ATOM 175 H HB2 . GLU 11 11 ? A -9.308 -19.320 12.251 1.000 1 A 67.410 1
ATOM 176 H HB3 . GLU 11 11 ? A -10.243 -18.300 13.359 1.000 1 A 67.410 1
ATOM 177 H HG2 . GLU 11 11 ? A -7.713 -19.798 14.148 1.000 1 A 67.410 1
ATOM 178 H HG3 . GLU 11 11 ? A -8.822 -18.972 15.237 1.000 1 A 67.410 1
ATOM 179 N N . GLU 12 12 ? A -9.677 -15.936 11.632 1.000 1 A 56.760 1
ATOM 180 C CA . GLU 12 12 ? A -10.079 -15.070 10.525 1.000 1 A 56.760 1
ATOM 181 C C . GLU 12 12 ? A -8.930 -14.146 10.102 1.000 1 A 56.760 1
ATOM 182 O O . GLU 12 12 ? A -8.657 -14.004 8.909 1.000 1 A 56.760 1
ATOM 183 C CB . GLU 12 12 ? A -11.312 -14.236 10.915 1.000 1 A 56.760 1
ATOM 184 C CG . GLU 12 12 ? A -12.618 -15.048 11.006 1.000 1 A 56.760 1
ATOM 185 C CD . GLU 12 12 ? A -13.846 -14.140 11.231 1.000 1 A 56.760 1
ATOM 186 O OE1 . GLU 12 12 ? A -14.873 -14.340 10.513 1.000 1 A 56.760 1
ATOM 187 O OE2 . GLU 12 12 ? A -13.722 -13.155 12.003 1.000 1 A 56.760 1
ATOM 188 H H . GLU 12 12 ? A -10.234 -15.909 12.474 1.000 1 A 56.760 1
ATOM 189 H HA . GLU 12 12 ? A -10.337 -15.686 9.663 1.000 1 A 56.760 1
ATOM 190 H HB2 . GLU 12 12 ? A -11.451 -13.473 10.150 1.000 1 A 56.760 1
ATOM 191 H HB3 . GLU 12 12 ? A -11.119 -13.733 11.863 1.000 1 A 56.760 1
ATOM 192 H HG2 . GLU 12 12 ? A -12.743 -15.591 10.069 1.000 1 A 56.760 1
ATOM 193 H HG3 . GLU 12 12 ? A -12.548 -15.784 11.806 1.000 1 A 56.760 1
ATOM 194 N N . LYS 13 13 ? A -8.181 -13.577 11.061 1.000 1 A 55.560 1
ATOM 195 C CA . LYS 13 13 ? A -6.975 -12.789 10.748 1.000 1 A 55.560 1
ATOM 196 C C . LYS 13 13 ? A -5.928 -13.607 10.006 1.000 1 A 55.560 1
ATOM 197 O O . LYS 13 13 ? A -5.378 -13.118 9.025 1.000 1 A 55.560 1
ATOM 198 C CB . LYS 13 13 ? A -6.338 -12.210 12.012 1.000 1 A 55.560 1
ATOM 199 C CG . LYS 13 13 ? A -7.144 -11.025 12.530 1.000 1 A 55.560 1
ATOM 200 C CD . LYS 13 13 ? A -6.462 -10.433 13.758 1.000 1 A 55.560 1
ATOM 201 C CE . LYS 13 13 ? A -7.291 -9.250 14.244 1.000 1 A 55.560 1
ATOM 202 N NZ . LYS 13 13 ? A -6.719 -8.700 15.488 1.000 1 A 55.560 1
ATOM 203 H H . LYS 13 13 ? A -8.462 -13.732 12.019 1.000 1 A 55.560 1
ATOM 204 H HA . LYS 13 13 ? A -7.251 -11.980 10.071 1.000 1 A 55.560 1
ATOM 205 H HB2 . LYS 13 13 ? A -6.270 -12.983 12.778 1.000 1 A 55.560 1
ATOM 206 H HB3 . LYS 13 13 ? A -5.332 -11.865 11.774 1.000 1 A 55.560 1
ATOM 207 H HG2 . LYS 13 13 ? A -8.138 -11.375 12.808 1.000 1 A 55.560 1
ATOM 208 H HG3 . LYS 13 13 ? A -7.226 -10.267 11.751 1.000 1 A 55.560 1
ATOM 209 H HD2 . LYS 13 13 ? A -6.414 -11.198 14.533 1.000 1 A 55.560 1
ATOM 210 H HD3 . LYS 13 13 ? A -5.456 -10.106 13.494 1.000 1 A 55.560 1
ATOM 211 H HE2 . LYS 13 13 ? A -8.307 -9.602 14.422 1.000 1 A 55.560 1
ATOM 212 H HE3 . LYS 13 13 ? A -7.321 -8.497 13.456 1.000 1 A 55.560 1
ATOM 213 H HZ1 . LYS 13 13 ? A -6.766 -9.418 16.197 1.000 1 A 55.560 1
ATOM 214 H HZ2 . LYS 13 13 ? A -5.756 -8.439 15.333 1.000 1 A 55.560 1
ATOM 215 H HZ3 . LYS 13 13 ? A -7.255 -7.897 15.785 1.000 1 A 55.560 1
ATOM 216 N N . LYS 14 14 ? A -5.645 -14.832 10.460 1.000 1 A 62.670 1
ATOM 217 C CA . LYS 14 14 ? A -4.661 -15.711 9.813 1.000 1 A 62.670 1
ATOM 218 C C . LYS 14 14 ? A -5.110 -16.136 8.418 1.000 1 A 62.670 1
ATOM 219 O O . LYS 14 14 ? A -4.300 -16.114 7.498 1.000 1 A 62.670 1
ATOM 220 C CB . LYS 14 14 ? A -4.414 -16.956 10.670 1.000 1 A 62.670 1
ATOM 221 C CG . LYS 14 14 ? A -3.450 -16.698 11.831 1.000 1 A 62.670 1
ATOM 222 C CD . LYS 14 14 ? A -3.320 -17.991 12.643 1.000 1 A 62.670 1
ATOM 223 C CE . LYS 14 14 ? A -2.348 -17.823 13.811 1.000 1 A 62.670 1
ATOM 224 N NZ . LYS 14 14 ? A -2.271 -19.074 14.608 1.000 1 A 62.670 1
ATOM 225 H H . LYS 14 14 ? A -6.176 -15.181 11.245 1.000 1 A 62.670 1
ATOM 226 H HA . LYS 14 14 ? A -3.723 -15.172 9.680 1.000 1 A 62.670 1
ATOM 227 H HB2 . LYS 14 14 ? A -5.365 -17.330 11.050 1.000 1 A 62.670 1
ATOM 228 H HB3 . LYS 14 14 ? A -3.978 -17.730 10.039 1.000 1 A 62.670 1
ATOM 229 H HG2 . LYS 14 14 ? A -2.475 -16.411 11.437 1.000 1 A 62.670 1
ATOM 230 H HG3 . LYS 14 14 ? A -3.827 -15.896 12.466 1.000 1 A 62.670 1
ATOM 231 H HD2 . LYS 14 14 ? A -4.303 -18.258 13.029 1.000 1 A 62.670 1
ATOM 232 H HD3 . LYS 14 14 ? A -2.969 -18.790 11.990 1.000 1 A 62.670 1
ATOM 233 H HE2 . LYS 14 14 ? A -1.367 -17.558 13.416 1.000 1 A 62.670 1
ATOM 234 H HE3 . LYS 14 14 ? A -2.700 -17.001 14.434 1.000 1 A 62.670 1
ATOM 235 H HZ1 . LYS 14 14 ? A -3.184 -19.310 14.968 1.000 1 A 62.670 1
ATOM 236 H HZ2 . LYS 14 14 ? A -1.959 -19.845 14.035 1.000 1 A 62.670 1
ATOM 237 H HZ3 . LYS 14 14 ? A -1.641 -18.970 15.391 1.000 1 A 62.670 1
ATOM 238 N N . ALA 15 15 ? A -6.377 -16.510 8.249 1.000 1 A 63.750 1
ATOM 239 C CA . ALA 15 15 ? A -6.929 -16.904 6.956 1.000 1 A 63.750 1
ATOM 240 C C . ALA 15 15 ? A -6.847 -15.753 5.949 1.000 1 A 63.750 1
ATOM 241 O O . ALA 15 15 ? A -6.383 -15.938 4.826 1.000 1 A 63.750 1
ATOM 242 C CB . ALA 15 15 ? A -8.374 -17.370 7.161 1.000 1 A 63.750 1
ATOM 243 H H . ALA 15 15 ? A -6.988 -16.534 9.053 1.000 1 A 63.750 1
ATOM 244 H HA . ALA 15 15 ? A -6.349 -17.737 6.558 1.000 1 A 63.750 1
ATOM 245 H HB1 . ALA 15 15 ? A -8.397 -18.211 7.855 1.000 1 A 63.750 1
ATOM 246 H HB2 . ALA 15 15 ? A -8.797 -17.686 6.208 1.000 1 A 63.750 1
ATOM 247 H HB3 . ALA 15 15 ? A -8.979 -16.561 7.569 1.000 1 A 63.750 1
ATOM 248 N N . LEU 16 16 ? A -7.210 -14.549 6.386 1.000 1 A 52.730 1
ATOM 249 C CA . LEU 16 16 ? A -7.157 -13.356 5.559 1.000 1 A 52.730 1
ATOM 250 C C . LEU 16 16 ? A -5.708 -12.941 5.233 1.000 1 A 52.730 1
ATOM 251 O O . LEU 16 16 ? A -5.400 -12.643 4.083 1.000 1 A 52.730 1
ATOM 252 C CB . LEU 16 16 ? A -7.962 -12.281 6.293 1.000 1 A 52.730 1
ATOM 253 C CG . LEU 16 16 ? A -8.346 -11.136 5.352 1.000 1 A 52.730 1
ATOM 254 C CD1 . LEU 16 16 ? A -9.854 -11.052 5.128 1.000 1 A 52.730 1
ATOM 255 C CD2 . LEU 16 16 ? A -7.886 -9.834 5.960 1.000 1 A 52.730 1
ATOM 256 H H . LEU 16 16 ? A -7.616 -14.468 7.308 1.000 1 A 52.730 1
ATOM 257 H HA . LEU 16 16 ? A -7.654 -13.577 4.615 1.000 1 A 52.730 1
ATOM 258 H HB2 . LEU 16 16 ? A -7.388 -11.925 7.148 1.000 1 A 52.730 1
ATOM 259 H HB3 . LEU 16 16 ? A -8.879 -12.726 6.680 1.000 1 A 52.730 1
ATOM 260 H HG . LEU 16 16 ? A -7.863 -11.270 4.385 1.000 1 A 52.730 1
ATOM 261 H HD11 . LEU 16 16 ? A -10.207 -11.982 4.682 1.000 1 A 52.730 1
ATOM 262 H HD12 . LEU 16 16 ? A -10.072 -10.233 4.442 1.000 1 A 52.730 1
ATOM 263 H HD13 . LEU 16 16 ? A -10.370 -10.882 6.073 1.000 1 A 52.730 1
ATOM 264 H HD21 . LEU 16 16 ? A -6.812 -9.893 6.135 1.000 1 A 52.730 1
ATOM 265 H HD22 . LEU 16 16 ? A -8.412 -9.642 6.895 1.000 1 A 52.730 1
ATOM 266 H HD23 . LEU 16 16 ? A -8.107 -9.048 5.238 1.000 1 A 52.730 1
ATOM 267 N N . GLN 17 17 ? A -4.790 -13.018 6.204 1.000 1 A 55.490 1
ATOM 268 C CA . GLN 17 17 ? A -3.351 -12.831 5.970 1.000 1 A 55.490 1
ATOM 269 C C . GLN 17 17 ? A -2.789 -13.850 4.971 1.000 1 A 55.490 1
ATOM 270 O O . GLN 17 17 ? A -2.008 -13.481 4.101 1.000 1 A 55.490 1
ATOM 271 C CB . GLN 17 17 ? A -2.582 -12.951 7.295 1.000 1 A 55.490 1
ATOM 272 C CG . GLN 17 17 ? A -2.689 -11.681 8.148 1.000 1 A 55.490 1
ATOM 273 C CD . GLN 17 17 ? A -2.061 -11.836 9.531 1.000 1 A 55.490 1
ATOM 274 O OE1 . GLN 17 17 ? A -1.826 -12.912 10.061 1.000 1 A 55.490 1
ATOM 275 N NE2 . GLN 17 17 ? A -1.750 -10.739 10.186 1.000 1 A 55.490 1
ATOM 276 H H . GLN 17 17 ? A -5.097 -13.243 7.139 1.000 1 A 55.490 1
ATOM 277 H HA . GLN 17 17 ? A -3.180 -11.841 5.547 1.000 1 A 55.490 1
ATOM 278 H HB2 . GLN 17 17 ? A -1.527 -13.119 7.082 1.000 1 A 55.490 1
ATOM 279 H HB3 . GLN 17 17 ? A -2.955 -13.810 7.852 1.000 1 A 55.490 1
ATOM 280 H HG2 . GLN 17 17 ? A -3.732 -11.387 8.269 1.000 1 A 55.490 1
ATOM 281 H HG3 . GLN 17 17 ? A -2.183 -10.871 7.622 1.000 1 A 55.490 1
ATOM 282 H HE21 . GLN 17 17 ? A -1.232 -10.875 11.043 1.000 1 A 55.490 1
ATOM 283 H HE22 . GLN 17 17 ? A -1.860 -9.844 9.731 1.000 1 A 55.490 1
ATOM 284 N N . ASN 18 18 ? A -3.192 -15.120 5.061 1.000 1 A 63.010 1
ATOM 285 C CA . ASN 18 18 ? A -2.765 -16.159 4.124 1.000 1 A 63.010 1
ATOM 286 C C . ASN 18 18 ? A -3.301 -15.904 2.711 1.000 1 A 63.010 1
ATOM 287 O O . ASN 18 18 ? A -2.518 -15.939 1.766 1.000 1 A 63.010 1
ATOM 288 C CB . ASN 18 18 ? A -3.216 -17.537 4.631 1.000 1 A 63.010 1
ATOM 289 C CG . ASN 18 18 ? A -2.377 -18.098 5.764 1.000 1 A 63.010 1
ATOM 290 O OD1 . ASN 18 18 ? A -1.223 -17.759 5.985 1.000 1 A 63.010 1
ATOM 291 N ND2 . ASN 18 18 ? A -2.904 -19.072 6.468 1.000 1 A 63.010 1
ATOM 292 H H . ASN 18 18 ? A -3.806 -15.377 5.821 1.000 1 A 63.010 1
ATOM 293 H HA . ASN 18 18 ? A -1.677 -16.144 4.051 1.000 1 A 63.010 1
ATOM 294 H HB2 . ASN 18 18 ? A -3.157 -18.252 3.810 1.000 1 A 63.010 1
ATOM 295 H HB3 . ASN 18 18 ? A -4.259 -17.486 4.947 1.000 1 A 63.010 1
ATOM 296 H HD21 . ASN 18 18 ? A -2.345 -19.456 7.216 1.000 1 A 63.010 1
ATOM 297 H HD22 . ASN 18 18 ? A -3.851 -19.369 6.282 1.000 1 A 63.010 1
ATOM 298 N N . PHE 19 19 ? A -4.601 -15.618 2.571 1.000 1 A 56.570 1
ATOM 299 C CA . PHE 19 19 ? A -5.227 -15.296 1.285 1.000 1 A 56.570 1
ATOM 300 C C . PHE 19 19 ? A -4.516 -14.125 0.611 1.000 1 A 56.570 1
ATOM 301 O O . PHE 19 19 ? A -4.095 -14.210 -0.541 1.000 1 A 56.570 1
ATOM 302 C CB . PHE 19 19 ? A -6.711 -14.961 1.506 1.000 1 A 56.570 1
ATOM 303 C CG . PHE 19 19 ? A -7.393 -14.409 0.267 1.000 1 A 56.570 1
ATOM 304 C CD1 . PHE 19 19 ? A -7.600 -13.022 0.125 1.000 1 A 56.570 1
ATOM 305 C CD2 . PHE 19 19 ? A -7.771 -15.280 -0.772 1.000 1 A 56.570 1
ATOM 306 C CE1 . PHE 19 19 ? A -8.174 -12.511 -1.053 1.000 1 A 56.570 1
ATOM 307 C CE2 . PHE 19 19 ? A -8.350 -14.768 -1.947 1.000 1 A 56.570 1
ATOM 308 C CZ . PHE 19 19 ? A -8.548 -13.384 -2.089 1.000 1 A 56.570 1
ATOM 309 H H . PHE 19 19 ? A -5.188 -15.614 3.393 1.000 1 A 56.570 1
ATOM 310 H HA . PHE 19 19 ? A -5.150 -16.152 0.614 1.000 1 A 56.570 1
ATOM 311 H HB2 . PHE 19 19 ? A -7.233 -15.863 1.827 1.000 1 A 56.570 1
ATOM 312 H HB3 . PHE 19 19 ? A -6.800 -14.229 2.309 1.000 1 A 56.570 1
ATOM 313 H HD1 . PHE 19 19 ? A -7.309 -12.351 0.920 1.000 1 A 56.570 1
ATOM 314 H HD2 . PHE 19 19 ? A -7.598 -16.342 -0.681 1.000 1 A 56.570 1
ATOM 315 H HE1 . PHE 19 19 ? A -8.326 -11.447 -1.167 1.000 1 A 56.570 1
ATOM 316 H HE2 . PHE 19 19 ? A -8.618 -15.436 -2.751 1.000 1 A 56.570 1
ATOM 317 H HZ . PHE 19 19 ? A -8.975 -12.995 -3.002 1.000 1 A 56.570 1
ATOM 318 N N . HIS 20 20 ? A -4.309 -13.044 1.358 1.000 1 A 51.980 1
ATOM 319 C CA . HIS 20 20 ? A -3.638 -11.885 0.809 1.000 1 A 51.980 1
ATOM 320 C C . HIS 20 20 ? A -2.140 -12.111 0.567 1.000 1 A 51.980 1
ATOM 321 O O . HIS 20 20 ? A -1.578 -11.441 -0.292 1.000 1 A 51.980 1
ATOM 322 C CB . HIS 20 20 ? A -3.871 -10.701 1.725 1.000 1 A 51.980 1
ATOM 323 C CG . HIS 20 20 ? A -5.275 -10.188 1.806 1.000 1 A 51.980 1
ATOM 324 N ND1 . HIS 20 20 ? A -6.057 -9.837 0.735 1.000 1 A 51.980 1
ATOM 325 C CD2 . HIS 20 20 ? A -5.973 -9.883 2.940 1.000 1 A 51.980 1
ATOM 326 C CE1 . HIS 20 20 ? A -7.228 -9.391 1.213 1.000 1 A 51.980 1
ATOM 327 N NE2 . HIS 20 20 ? A -7.220 -9.381 2.552 1.000 1 A 51.980 1
ATOM 328 H H . HIS 20 20 ? A -4.682 -13.001 2.296 1.000 1 A 51.980 1
ATOM 329 H HA . HIS 20 20 ? A -4.080 -11.655 -0.160 1.000 1 A 51.980 1
ATOM 330 H HB2 . HIS 20 20 ? A -3.294 -9.888 1.284 1.000 1 A 51.980 1
ATOM 331 H HB3 . HIS 20 20 ? A -3.517 -10.940 2.728 1.000 1 A 51.980 1
ATOM 332 H HD1 . HIS 20 20 ? A -5.812 -9.955 -0.238 1.000 1 A 51.980 1
ATOM 333 H HD2 . HIS 20 20 ? A -5.614 -9.994 3.953 1.000 1 A 51.980 1
ATOM 334 H HE1 . HIS 20 20 ? A -8.065 -9.077 0.607 1.000 1 A 51.980 1
ATOM 335 N N . ARG 21 21 ? A -1.479 -13.034 1.284 1.000 1 A 53.540 1
ATOM 336 C CA . ARG 21 21 ? A -0.072 -13.385 1.033 1.000 1 A 53.540 1
ATOM 337 C C . ARG 21 21 ? A 0.052 -14.116 -0.296 1.000 1 A 53.540 1
ATOM 338 O O . ARG 21 21 ? A 0.957 -13.811 -1.056 1.000 1 A 53.540 1
ATOM 339 C CB . ARG 21 21 ? A 0.508 -14.205 2.193 1.000 1 A 53.540 1
ATOM 340 C CG . ARG 21 21 ? A 1.995 -14.546 1.971 1.000 1 A 53.540 1
ATOM 341 C CD . ARG 21 21 ? A 2.555 -15.427 3.092 1.000 1 A 53.540 1
ATOM 342 N NE . ARG 21 21 ? A 1.881 -16.739 3.125 1.000 1 A 53.540 1
ATOM 343 C CZ . ARG 21 21 ? A 1.724 -17.520 4.175 1.000 1 A 53.540 1
ATOM 344 N NH1 . ARG 21 21 ? A 2.321 -17.280 5.309 1.000 1 A 53.540 1
ATOM 345 N NH2 . ARG 21 21 ? A 0.943 -18.557 4.107 1.000 1 A 53.540 1
ATOM 346 H H . ARG 21 21 ? A -1.968 -13.501 2.035 1.000 1 A 53.540 1
ATOM 347 H HA . ARG 21 21 ? A 0.513 -12.471 0.932 1.000 1 A 53.540 1
ATOM 348 H HB2 . ARG 21 21 ? A 0.419 -13.627 3.113 1.000 1 A 53.540 1
ATOM 349 H HB3 . ARG 21 21 ? A -0.071 -15.123 2.301 1.000 1 A 53.540 1
ATOM 350 H HG2 . ARG 21 21 ? A 2.569 -13.620 1.928 1.000 1 A 53.540 1
ATOM 351 H HG3 . ARG 21 21 ? A 2.130 -15.074 1.027 1.000 1 A 53.540 1
ATOM 352 H HD2 . ARG 21 21 ? A 3.621 -15.572 2.915 1.000 1 A 53.540 1
ATOM 353 H HD3 . ARG 21 21 ? A 2.424 -14.901 4.038 1.000 1 A 53.540 1
ATOM 354 H HE . ARG 21 21 ? A 1.435 -17.026 2.265 1.000 1 A 53.540 1
ATOM 355 H HH11 . ARG 21 21 ? A 2.962 -16.500 5.352 1.000 1 A 53.540 1
ATOM 356 H HH12 . ARG 21 21 ? A 2.168 -17.889 6.100 1.000 1 A 53.540 1
ATOM 357 H HH21 . ARG 21 21 ? A 0.577 -18.938 4.968 1.000 1 A 53.540 1
ATOM 358 H HH22 . ARG 21 21 ? A 0.482 -18.771 3.235 1.000 1 A 53.540 1
ATOM 359 N N . CYS 22 22 ? A -0.867 -15.036 -0.589 1.000 1 A 54.350 1
ATOM 360 C CA . CYS 22 22 ? A -0.937 -15.683 -1.898 1.000 1 A 54.350 1
ATOM 361 C C . CYS 22 22 ? A -1.166 -14.648 -3.008 1.000 1 A 54.350 1
ATOM 362 O O . CYS 22 22 ? A -0.382 -14.596 -3.948 1.000 1 A 54.350 1
ATOM 363 C CB . CYS 22 22 ? A -2.036 -16.753 -1.876 1.000 1 A 54.350 1
ATOM 364 S SG . CYS 22 22 ? A -1.546 -18.118 -0.779 1.000 1 A 54.350 1
ATOM 365 H H . CYS 22 22 ? A -1.580 -15.253 0.094 1.000 1 A 54.350 1
ATOM 366 H HA . CYS 22 22 ? A 0.016 -16.161 -2.120 1.000 1 A 54.350 1
ATOM 367 H HB2 . CYS 22 22 ? A -2.975 -16.317 -1.536 1.000 1 A 54.350 1
ATOM 368 H HB3 . CYS 22 22 ? A -2.184 -17.136 -2.886 1.000 1 A 54.350 1
ATOM 369 H HG . CYS 22 22 ? A -0.650 -18.640 -1.621 1.000 1 A 54.350 1
ATOM 370 N N . ALA 23 23 ? A -2.151 -13.757 -2.838 1.000 1 A 50.990 1
ATOM 371 C CA . ALA 23 23 ? A -2.397 -12.673 -3.791 1.000 1 A 50.990 1
ATOM 372 C C . ALA 23 23 ? A -1.179 -11.741 -3.951 1.000 1 A 50.990 1
ATOM 373 O O . ALA 23 23 ? A -0.902 -11.258 -5.046 1.000 1 A 50.990 1
ATOM 374 C CB . ALA 23 23 ? A -3.631 -11.891 -3.324 1.000 1 A 50.990 1
ATOM 375 H H . ALA 23 23 ? A -2.791 -13.876 -2.066 1.000 1 A 50.990 1
ATOM 376 H HA . ALA 23 23 ? A -2.606 -13.109 -4.768 1.000 1 A 50.990 1
ATOM 377 H HB1 . ALA 23 23 ? A -3.877 -11.135 -4.070 1.000 1 A 50.990 1
ATOM 378 H HB2 . ALA 23 23 ? A -4.477 -12.569 -3.218 1.000 1 A 50.990 1
ATOM 379 H HB3 . ALA 23 23 ? A -3.426 -11.401 -2.372 1.000 1 A 50.990 1
ATOM 380 N N . TRP 24 24 ? A -0.433 -11.490 -2.873 1.000 1 A 53.270 1
ATOM 381 C CA . TRP 24 24 ? A 0.795 -10.699 -2.901 1.000 1 A 53.270 1
ATOM 382 C C . TRP 24 24 ? A 1.914 -11.367 -3.693 1.000 1 A 53.270 1
ATOM 383 O O . TRP 24 24 ? A 2.488 -10.706 -4.548 1.000 1 A 53.270 1
ATOM 384 C CB . TRP 24 24 ? A 1.259 -10.416 -1.476 1.000 1 A 53.270 1
ATOM 385 C CG . TRP 24 24 ? A 2.656 -9.906 -1.357 1.000 1 A 53.270 1
ATOM 386 C CD1 . TRP 24 24 ? A 3.740 -10.627 -0.989 1.000 1 A 53.270 1
ATOM 387 C CD2 . TRP 24 24 ? A 3.154 -8.582 -1.692 1.000 1 A 53.270 1
ATOM 388 N NE1 . TRP 24 24 ? A 4.856 -9.818 -0.993 1.000 1 A 53.270 1
ATOM 389 C CE2 . TRP 24 24 ? A 4.545 -8.531 -1.377 1.000 1 A 53.270 1
ATOM 390 C CE3 . TRP 24 24 ? A 2.572 -7.430 -2.258 1.000 1 A 53.270 1
ATOM 391 C CZ2 . TRP 24 24 ? A 5.297 -7.354 -1.493 1.000 1 A 53.270 1
ATOM 392 C CZ3 . TRP 24 24 ? A 3.335 -6.260 -2.416 1.000 1 A 53.270 1
ATOM 393 C CH2 . TRP 24 24 ? A 4.670 -6.201 -1.982 1.000 1 A 53.270 1
ATOM 394 H H . TRP 24 24 ? A -0.735 -11.862 -1.984 1.000 1 A 53.270 1
ATOM 395 H HA . TRP 24 24 ? A 0.596 -9.747 -3.392 1.000 1 A 53.270 1
ATOM 396 H HB2 . TRP 24 24 ? A 0.581 -9.679 -1.047 1.000 1 A 53.270 1
ATOM 397 H HB3 . TRP 24 24 ? A 1.191 -11.331 -0.886 1.000 1 A 53.270 1
ATOM 398 H HD1 . TRP 24 24 ? A 3.740 -11.680 -0.749 1.000 1 A 53.270 1
ATOM 399 H HE1 . TRP 24 24 ? A 5.775 -10.178 -0.781 1.000 1 A 53.270 1
ATOM 400 H HE3 . TRP 24 24 ? A 1.544 -7.454 -2.588 1.000 1 A 53.270 1
ATOM 401 H HZ2 . TRP 24 24 ? A 6.340 -7.331 -1.214 1.000 1 A 53.270 1
ATOM 402 H HZ3 . TRP 24 24 ? A 2.907 -5.390 -2.892 1.000 1 A 53.270 1
ATOM 403 H HH2 . TRP 24 24 ? A 5.225 -5.278 -2.065 1.000 1 A 53.270 1
ATOM 404 N N . GLU 25 25 ? A 2.213 -12.644 -3.445 1.000 1 A 59.010 1
ATOM 405 C CA . GLU 25 25 ? A 3.251 -13.357 -4.202 1.000 1 A 59.010 1
ATOM 406 C C . GLU 25 25 ? A 2.893 -13.427 -5.694 1.000 1 A 59.010 1
ATOM 407 O O . GLU 25 25 ? A 3.746 -13.172 -6.541 1.000 1 A 59.010 1
ATOM 408 C CB . GLU 25 25 ? A 3.472 -14.766 -3.626 1.000 1 A 59.010 1
ATOM 409 C CG . GLU 25 25 ? A 4.095 -14.790 -2.218 1.000 1 A 59.010 1
ATOM 410 C CD . GLU 25 25 ? A 5.456 -14.079 -2.114 1.000 1 A 59.010 1
ATOM 411 O OE1 . GLU 25 25 ? A 5.684 -13.419 -1.071 1.000 1 A 59.010 1
ATOM 412 O OE2 . GLU 25 25 ? A 6.275 -14.189 -3.052 1.000 1 A 59.010 1
ATOM 413 H H . GLU 25 25 ? A 1.704 -13.142 -2.730 1.000 1 A 59.010 1
ATOM 414 H HA . GLU 25 25 ? A 4.190 -12.807 -4.139 1.000 1 A 59.010 1
ATOM 415 H HB2 . GLU 25 25 ? A 4.126 -15.321 -4.299 1.000 1 A 59.010 1
ATOM 416 H HB3 . GLU 25 25 ? A 2.517 -15.290 -3.591 1.000 1 A 59.010 1
ATOM 417 H HG2 . GLU 25 25 ? A 3.400 -14.331 -1.514 1.000 1 A 59.010 1
ATOM 418 H HG3 . GLU 25 25 ? A 4.216 -15.829 -1.914 1.000 1 A 59.010 1
ATOM 419 N N . GLU 26 26 ? A 1.620 -13.668 -6.030 1.000 1 A 56.670 1
ATOM 420 C CA . GLU 26 26 ? A 1.139 -13.621 -7.417 1.000 1 A 56.670 1
ATOM 421 C C . GLU 26 26 ? A 1.318 -12.228 -8.038 1.000 1 A 56.670 1
ATOM 422 O O . GLU 26 26 ? A 1.902 -12.103 -9.113 1.000 1 A 56.670 1
ATOM 423 C CB . GLU 26 26 ? A -0.336 -14.050 -7.483 1.000 1 A 56.670 1
ATOM 424 C CG . GLU 26 26 ? A -0.515 -15.565 -7.283 1.000 1 A 56.670 1
ATOM 425 C CD . GLU 26 26 ? A -1.987 -16.013 -7.257 1.000 1 A 56.670 1
ATOM 426 O OE1 . GLU 26 26 ? A -2.207 -17.229 -7.051 1.000 1 A 56.670 1
ATOM 427 O OE2 . GLU 26 26 ? A -2.890 -15.155 -7.394 1.000 1 A 56.670 1
ATOM 428 H H . GLU 26 26 ? A 0.956 -13.895 -5.303 1.000 1 A 56.670 1
ATOM 429 H HA . GLU 26 26 ? A 1.725 -14.311 -8.025 1.000 1 A 56.670 1
ATOM 430 H HB2 . GLU 26 26 ? A -0.733 -13.786 -8.463 1.000 1 A 56.670 1
ATOM 431 H HB3 . GLU 26 26 ? A -0.899 -13.507 -6.724 1.000 1 A 56.670 1
ATOM 432 H HG2 . GLU 26 26 ? A 0.002 -16.082 -8.092 1.000 1 A 56.670 1
ATOM 433 H HG3 . GLU 26 26 ? A -0.041 -15.860 -6.347 1.000 1 A 56.670 1
ATOM 434 N N . THR 27 27 ? A 0.889 -11.165 -7.347 1.000 1 A 51.390 1
ATOM 435 C CA . THR 27 27 ? A 0.988 -9.796 -7.887 1.000 1 A 51.390 1
ATOM 436 C C . THR 27 27 ? A 2.446 -9.323 -7.982 1.000 1 A 51.390 1
ATOM 437 O O . THR 27 27 ? A 2.820 -8.632 -8.928 1.000 1 A 51.390 1
ATOM 438 C CB . THR 27 27 ? A 0.169 -8.769 -7.080 1.000 1 A 51.390 1
ATOM 439 O OG1 . THR 27 27 ? A -1.120 -9.204 -6.695 1.000 1 A 51.390 1
ATOM 440 C CG2 . THR 27 27 ? A -0.101 -7.539 -7.940 1.000 1 A 51.390 1
ATOM 441 H H . THR 27 27 ? A 0.438 -11.326 -6.458 1.000 1 A 51.390 1
ATOM 442 H HA . THR 27 27 ? A 0.596 -9.814 -8.904 1.000 1 A 51.390 1
ATOM 443 H HB . THR 27 27 ? A 0.718 -8.482 -6.183 1.000 1 A 51.390 1
ATOM 444 H HG1 . THR 27 27 ? A -1.022 -10.033 -6.222 1.000 1 A 51.390 1
ATOM 445 H HG21 . THR 27 27 ? A -0.792 -6.867 -7.431 1.000 1 A 51.390 1
ATOM 446 H HG22 . THR 27 27 ? A -0.571 -7.844 -8.875 1.000 1 A 51.390 1
ATOM 447 H HG23 . THR 27 27 ? A 0.829 -7.025 -8.182 1.000 1 A 51.390 1
ATOM 448 N N . LYS 28 28 ? A 3.295 -9.712 -7.022 1.000 1 A 54.720 1
ATOM 449 C CA . LYS 28 28 ? A 4.736 -9.434 -7.024 1.000 1 A 54.720 1
ATOM 450 C C . LYS 28 28 ? A 5.421 -10.092 -8.220 1.000 1 A 54.720 1
ATOM 451 O O . LYS 28 28 ? A 6.217 -9.433 -8.881 1.000 1 A 54.720 1
ATOM 452 C CB . LYS 28 28 ? A 5.335 -9.909 -5.690 1.000 1 A 54.720 1
ATOM 453 C CG . LYS 28 28 ? A 6.841 -9.633 -5.580 1.000 1 A 54.720 1
ATOM 454 C CD . LYS 28 28 ? A 7.394 -10.205 -4.271 1.000 1 A 54.720 1
ATOM 455 C CE . LYS 28 28 ? A 8.917 -10.044 -4.240 1.000 1 A 54.720 1
ATOM 456 N NZ . LYS 28 28 ? A 9.505 -10.730 -3.064 1.000 1 A 54.720 1
ATOM 457 H H . LYS 28 28 ? A 2.930 -10.291 -6.279 1.000 1 A 54.720 1
ATOM 458 H HA . LYS 28 28 ? A 4.895 -8.361 -7.135 1.000 1 A 54.720 1
ATOM 459 H HB2 . LYS 28 28 ? A 5.163 -10.981 -5.587 1.000 1 A 54.720 1
ATOM 460 H HB3 . LYS 28 28 ? A 4.827 -9.400 -4.871 1.000 1 A 54.720 1
ATOM 461 H HG2 . LYS 28 28 ? A 7.020 -8.559 -5.620 1.000 1 A 54.720 1
ATOM 462 H HG3 . LYS 28 28 ? A 7.361 -10.111 -6.410 1.000 1 A 54.720 1
ATOM 463 H HD2 . LYS 28 28 ? A 7.138 -11.263 -4.214 1.000 1 A 54.720 1
ATOM 464 H HD3 . LYS 28 28 ? A 6.940 -9.685 -3.427 1.000 1 A 54.720 1
ATOM 465 H HE2 . LYS 28 28 ? A 9.163 -8.982 -4.232 1.000 1 A 54.720 1
ATOM 466 H HE3 . LYS 28 28 ? A 9.319 -10.477 -5.156 1.000 1 A 54.720 1
ATOM 467 H HZ1 . LYS 28 28 ? A 9.175 -10.313 -2.205 1.000 1 A 54.720 1
ATOM 468 H HZ2 . LYS 28 28 ? A 9.228 -11.702 -3.066 1.000 1 A 54.720 1
ATOM 469 H HZ3 . LYS 28 28 ? A 10.513 -10.677 -3.084 1.000 1 A 54.720 1
ATOM 470 N N . ASN 29 29 ? A 5.092 -11.349 -8.516 1.000 1 A 59.210 1
ATOM 471 C CA . ASN 29 29 ? A 5.632 -12.049 -9.681 1.000 1 A 59.210 1
ATOM 472 C C . ASN 29 29 ? A 5.206 -11.370 -10.988 1.000 1 A 59.210 1
ATOM 473 O O . ASN 29 29 ? A 6.068 -11.073 -11.805 1.000 1 A 59.210 1
ATOM 474 C CB . ASN 29 29 ? A 5.221 -13.527 -9.631 1.000 1 A 59.210 1
ATOM 475 C CG . ASN 29 29 ? A 5.926 -14.299 -8.529 1.000 1 A 59.210 1
ATOM 476 O OD1 . ASN 29 29 ? A 6.983 -13.938 -8.032 1.000 1 A 59.210 1
ATOM 477 N ND2 . ASN 29 29 ? A 5.364 -15.409 -8.111 1.000 1 A 59.210 1
ATOM 478 H H . ASN 29 29 ? A 4.452 -11.843 -7.910 1.000 1 A 59.210 1
ATOM 479 H HA . ASN 29 29 ? A 6.720 -11.998 -9.655 1.000 1 A 59.210 1
ATOM 480 H HB2 . ASN 29 29 ? A 5.482 -13.997 -10.579 1.000 1 A 59.210 1
ATOM 481 H HB3 . ASN 29 29 ? A 4.141 -13.604 -9.498 1.000 1 A 59.210 1
ATOM 482 H HD21 . ASN 29 29 ? A 5.801 -15.839 -7.308 1.000 1 A 59.210 1
ATOM 483 H HD22 . ASN 29 29 ? A 4.455 -15.667 -8.465 1.000 1 A 59.210 1
ATOM 484 N N . ILE 30 30 ? A 3.922 -11.008 -11.133 1.000 1 A 54.200 1
ATOM 485 C CA . ILE 30 30 ? A 3.416 -10.285 -12.316 1.000 1 A 54.200 1
ATOM 486 C C . ILE 30 30 ? A 4.190 -8.980 -12.554 1.000 1 A 54.200 1
ATOM 487 O O . ILE 30 30 ? A 4.526 -8.664 -13.690 1.000 1 A 54.200 1
ATOM 488 C CB . ILE 30 30 ? A 1.895 -10.023 -12.179 1.000 1 A 54.200 1
ATOM 489 C CG1 . ILE 30 30 ? A 1.112 -11.354 -12.259 1.000 1 A 54.200 1
ATOM 490 C CG2 . ILE 30 30 ? A 1.376 -9.055 -13.263 1.000 1 A 54.200 1
ATOM 491 C CD1 . ILE 30 30 ? A -0.345 -11.248 -11.785 1.000 1 A 54.200 1
ATOM 492 H H . ILE 30 30 ? A 3.260 -11.296 -10.427 1.000 1 A 54.200 1
ATOM 493 H HA . ILE 30 30 ? A 3.582 -10.907 -13.196 1.000 1 A 54.200 1
ATOM 494 H HB . ILE 30 30 ? A 1.712 -9.567 -11.205 1.000 1 A 54.200 1
ATOM 495 H HG12 . ILE 30 30 ? A 1.125 -11.718 -13.287 1.000 1 A 54.200 1
ATOM 496 H HG13 . ILE 30 30 ? A 1.601 -12.110 -11.646 1.000 1 A 54.200 1
ATOM 497 H HG21 . ILE 30 30 ? A 1.608 -9.446 -14.254 1.000 1 A 54.200 1
ATOM 498 H HG22 . ILE 30 30 ? A 0.299 -8.914 -13.176 1.000 1 A 54.200 1
ATOM 499 H HG23 . ILE 30 30 ? A 1.835 -8.072 -13.156 1.000 1 A 54.200 1
ATOM 500 H HD11 . ILE 30 30 ? A -0.929 -10.623 -12.459 1.000 1 A 54.200 1
ATOM 501 H HD12 . ILE 30 30 ? A -0.788 -12.244 -11.769 1.000 1 A 54.200 1
ATOM 502 H HD13 . ILE 30 30 ? A -0.380 -10.833 -10.778 1.000 1 A 54.200 1
ATOM 503 N N . ILE 31 31 ? A 4.509 -8.224 -11.500 1.000 1 A 48.460 1
ATOM 504 C CA . ILE 31 31 ? A 5.285 -6.979 -11.631 1.000 1 A 48.460 1
ATOM 505 C C . ILE 31 31 ? A 6.750 -7.230 -11.957 1.000 1 A 48.460 1
ATOM 506 O O . ILE 31 31 ? A 7.323 -6.499 -12.766 1.000 1 A 48.460 1
ATOM 507 C CB . ILE 31 31 ? A 5.134 -6.135 -10.356 1.000 1 A 48.460 1
ATOM 508 C CG1 . ILE 31 31 ? A 3.780 -5.434 -10.496 1.000 1 A 48.460 1
ATOM 509 C CG2 . ILE 31 31 ? A 6.243 -5.075 -10.176 1.000 1 A 48.460 1
ATOM 510 C CD1 . ILE 31 31 ? A 3.302 -4.876 -9.182 1.000 1 A 48.460 1
ATOM 511 H H . ILE 31 31 ? A 4.183 -8.510 -10.588 1.000 1 A 48.460 1
ATOM 512 H HA . ILE 31 31 ? A 4.891 -6.411 -12.473 1.000 1 A 48.460 1
ATOM 513 H HB . ILE 31 31 ? A 5.134 -6.792 -9.486 1.000 1 A 48.460 1
ATOM 514 H HG12 . ILE 31 31 ? A 3.859 -4.624 -11.222 1.000 1 A 48.460 1
ATOM 515 H HG13 . ILE 31 31 ? A 3.018 -6.129 -10.851 1.000 1 A 48.460 1
ATOM 516 H HG21 . ILE 31 31 ? A 7.216 -5.555 -10.065 1.000 1 A 48.460 1
ATOM 517 H HG22 . ILE 31 31 ? A 6.259 -4.419 -11.046 1.000 1 A 48.460 1
ATOM 518 H HG23 . ILE 31 31 ? A 6.084 -4.479 -9.277 1.000 1 A 48.460 1
ATOM 519 H HD11 . ILE 31 31 ? A 2.459 -4.221 -9.405 1.000 1 A 48.460 1
ATOM 520 H HD12 . ILE 31 31 ? A 2.993 -5.735 -8.586 1.000 1 A 48.460 1
ATOM 521 H HD13 . ILE 31 31 ? A 4.065 -4.302 -8.656 1.000 1 A 48.460 1
ATOM 522 N N . ASN 32 32 ? A 7.363 -8.227 -11.321 1.000 1 A 55.330 1
ATOM 523 C CA . ASN 32 32 ? A 8.743 -8.597 -11.616 1.000 1 A 55.330 1
ATOM 524 C C . ASN 32 32 ? A 8.890 -9.012 -13.086 1.000 1 A 55.330 1
ATOM 525 O O . ASN 32 32 ? A 9.848 -8.584 -13.729 1.000 1 A 55.330 1
ATOM 526 C CB . ASN 32 32 ? A 9.180 -9.720 -10.669 1.000 1 A 55.330 1
ATOM 527 C CG . ASN 32 32 ? A 9.429 -9.264 -9.245 1.000 1 A 55.330 1
ATOM 528 O OD1 . ASN 32 32 ? A 9.566 -8.095 -8.913 1.000 1 A 55.330 1
ATOM 529 N ND2 . ASN 32 32 ? A 9.559 -10.202 -8.337 1.000 1 A 55.330 1
ATOM 530 H H . ASN 32 32 ? A 6.837 -8.789 -10.667 1.000 1 A 55.330 1
ATOM 531 H HA . ASN 32 32 ? A 9.389 -7.731 -11.468 1.000 1 A 55.330 1
ATOM 532 H HB2 . ASN 32 32 ? A 10.113 -10.145 -11.041 1.000 1 A 55.330 1
ATOM 533 H HB3 . ASN 32 32 ? A 8.432 -10.513 -10.673 1.000 1 A 55.330 1
ATOM 534 H HD21 . ASN 32 32 ? A 9.849 -9.886 -7.423 1.000 1 A 55.330 1
ATOM 535 H HD22 . ASN 32 32 ? A 9.438 -11.168 -8.608 1.000 1 A 55.330 1
ATOM 536 N N . ASP 33 33 ? A 7.915 -9.762 -13.606 1.000 1 A 57.630 1
ATOM 537 C CA . ASP 33 33 ? A 7.844 -10.181 -15.005 1.000 1 A 57.630 1
ATOM 538 C C . ASP 33 33 ? A 7.575 -8.990 -15.938 1.000 1 A 57.630 1
ATOM 539 O O . ASP 33 33 ? A 8.298 -8.799 -16.911 1.000 1 A 57.630 1
ATOM 540 C CB . ASP 33 33 ? A 6.750 -11.254 -15.179 1.000 1 A 57.630 1
ATOM 541 C CG . ASP 33 33 ? A 7.042 -12.605 -14.506 1.000 1 A 57.630 1
ATOM 542 O OD1 . ASP 33 33 ? A 8.210 -12.857 -14.127 1.000 1 A 57.630 1
ATOM 543 O OD2 . ASP 33 33 ? A 6.084 -13.408 -14.405 1.000 1 A 57.630 1
ATOM 544 H H . ASP 33 33 ? A 7.213 -10.138 -12.984 1.000 1 A 57.630 1
ATOM 545 H HA . ASP 33 33 ? A 8.800 -10.616 -15.296 1.000 1 A 57.630 1
ATOM 546 H HB2 . ASP 33 33 ? A 6.621 -11.439 -16.246 1.000 1 A 57.630 1
ATOM 547 H HB3 . ASP 33 33 ? A 5.806 -10.865 -14.797 1.000 1 A 57.630 1
ATOM 548 N N . PHE 34 34 ? A 6.575 -8.149 -15.633 1.000 1 A 44.900 1
ATOM 549 C CA . PHE 34 34 ? A 6.187 -7.008 -16.476 1.000 1 A 44.900 1
ATOM 550 C C . PHE 34 34 ? A 7.303 -5.972 -16.633 1.000 1 A 44.900 1
ATOM 551 O O . PHE 34 34 ? A 7.408 -5.317 -17.667 1.000 1 A 44.900 1
ATOM 552 C CB . PHE 34 34 ? A 4.931 -6.335 -15.893 1.000 1 A 44.900 1
ATOM 553 C CG . PHE 34 34 ? A 4.389 -5.192 -16.738 1.000 1 A 44.900 1
ATOM 554 C CD1 . PHE 34 34 ? A 4.616 -3.851 -16.375 1.000 1 A 44.900 1
ATOM 555 C CD2 . PHE 34 34 ? A 3.657 -5.473 -17.905 1.000 1 A 44.900 1
ATOM 556 C CE1 . PHE 34 34 ? A 4.145 -2.800 -17.181 1.000 1 A 44.900 1
ATOM 557 C CE2 . PHE 34 34 ? A 3.165 -4.424 -18.703 1.000 1 A 44.900 1
ATOM 558 C CZ . PHE 34 34 ? A 3.416 -3.088 -18.347 1.000 1 A 44.900 1
ATOM 559 H H . PHE 34 34 ? A 5.994 -8.372 -14.837 1.000 1 A 44.900 1
ATOM 560 H HA . PHE 34 34 ? A 5.956 -7.379 -17.475 1.000 1 A 44.900 1
ATOM 561 H HB2 . PHE 34 34 ? A 4.145 -7.084 -15.800 1.000 1 A 44.900 1
ATOM 562 H HB3 . PHE 34 34 ? A 5.156 -5.967 -14.892 1.000 1 A 44.900 1
ATOM 563 H HD1 . PHE 34 34 ? A 5.146 -3.625 -15.462 1.000 1 A 44.900 1
ATOM 564 H HD2 . PHE 34 34 ? A 3.470 -6.498 -18.188 1.000 1 A 44.900 1
ATOM 565 H HE1 . PHE 34 34 ? A 4.326 -1.774 -16.895 1.000 1 A 44.900 1
ATOM 566 H HE2 . PHE 34 34 ? A 2.588 -4.648 -19.588 1.000 1 A 44.900 1
ATOM 567 H HZ . PHE 34 34 ? A 3.033 -2.284 -18.958 1.000 1 A 44.900 1
ATOM 568 N N . LEU 35 35 ? A 8.128 -5.794 -15.603 1.000 1 A 46.480 1
ATOM 569 C CA . LEU 35 35 ? A 9.133 -4.743 -15.578 1.000 1 A 46.480 1
ATOM 570 C C . LEU 35 35 ? A 10.579 -5.258 -15.716 1.000 1 A 46.480 1
ATOM 571 O O . LEU 35 35 ? A 11.478 -4.463 -15.458 1.000 1 A 46.480 1
ATOM 572 C CB . LEU 35 35 ? A 8.928 -3.896 -14.315 1.000 1 A 46.480 1
ATOM 573 C CG . LEU 35 35 ? A 7.619 -3.133 -14.101 1.000 1 A 46.480 1
ATOM 574 C CD1 . LEU 35 35 ? A 7.615 -2.451 -12.725 1.000 1 A 46.480 1
ATOM 575 C CD2 . LEU 35 35 ? A 7.447 -2.035 -15.150 1.000 1 A 46.480 1
ATOM 576 H H . LEU 35 35 ? A 7.990 -6.365 -14.781 1.000 1 A 46.480 1
ATOM 577 H HA . LEU 35 35 ? A 8.991 -4.088 -16.438 1.000 1 A 46.480 1
ATOM 578 H HB2 . LEU 35 35 ? A 9.713 -3.140 -14.335 1.000 1 A 46.480 1
ATOM 579 H HB3 . LEU 35 35 ? A 9.028 -4.570 -13.464 1.000 1 A 46.480 1
ATOM 580 H HG . LEU 35 35 ? A 6.787 -3.835 -14.133 1.000 1 A 46.480 1
ATOM 581 H HD11 . LEU 35 35 ? A 7.895 -3.172 -11.957 1.000 1 A 46.480 1
ATOM 582 H HD12 . LEU 35 35 ? A 6.611 -2.083 -12.515 1.000 1 A 46.480 1
ATOM 583 H HD13 . LEU 35 35 ? A 8.308 -1.610 -12.715 1.000 1 A 46.480 1
ATOM 584 H HD21 . LEU 35 35 ? A 7.368 -2.488 -16.138 1.000 1 A 46.480 1
ATOM 585 H HD22 . LEU 35 35 ? A 6.529 -1.480 -14.956 1.000 1 A 46.480 1
ATOM 586 H HD23 . LEU 35 35 ? A 8.296 -1.351 -15.138 1.000 1 A 46.480 1
ATOM 587 N N . GLU 36 36 ? A 10.821 -6.540 -16.022 1.000 1 A 50.350 1
ATOM 588 C CA . GLU 36 36 ? A 12.138 -7.158 -16.327 1.000 1 A 50.350 1
ATOM 589 C C . GLU 36 36 ? A 13.344 -6.750 -15.426 1.000 1 A 50.350 1
ATOM 590 O O . GLU 36 36 ? A 14.485 -6.706 -15.883 1.000 1 A 50.350 1
ATOM 591 C CB . GLU 36 36 ? A 12.487 -7.011 -17.828 1.000 1 A 50.350 1
ATOM 592 C CG . GLU 36 36 ? A 11.517 -7.692 -18.810 1.000 1 A 50.350 1
ATOM 593 C CD . GLU 36 36 ? A 12.026 -7.666 -20.270 1.000 1 A 50.350 1
ATOM 594 O OE1 . GLU 36 36 ? A 11.435 -8.385 -21.110 1.000 1 A 50.350 1
ATOM 595 O OE2 . GLU 36 36 ? A 13.012 -6.946 -20.561 1.000 1 A 50.350 1
ATOM 596 H H . GLU 36 36 ? A 10.014 -7.120 -16.204 1.000 1 A 50.350 1
ATOM 597 H HA . GLU 36 36 ? A 12.014 -8.227 -16.152 1.000 1 A 50.350 1
ATOM 598 H HB2 . GLU 36 36 ? A 13.463 -7.465 -17.996 1.000 1 A 50.350 1
ATOM 599 H HB3 . GLU 36 36 ? A 12.557 -5.950 -18.069 1.000 1 A 50.350 1
ATOM 600 H HG2 . GLU 36 36 ? A 11.385 -8.728 -18.498 1.000 1 A 50.350 1
ATOM 601 H HG3 . GLU 36 36 ? A 10.549 -7.193 -18.757 1.000 1 A 50.350 1
ATOM 602 N N . ILE 37 37 ? A 13.149 -6.433 -14.135 1.000 1 A 45.950 1
ATOM 603 C CA . ILE 37 37 ? A 14.240 -6.012 -13.208 1.000 1 A 45.950 1
ATOM 604 C C . ILE 37 37 ? A 14.122 -6.769 -11.867 1.000 1 A 45.950 1
ATOM 605 O O . ILE 37 37 ? A 13.024 -6.777 -11.296 1.000 1 A 45.950 1
ATOM 606 C CB . ILE 37 37 ? A 14.372 -4.470 -12.986 1.000 1 A 45.950 1
ATOM 607 C CG1 . ILE 37 37 ? A 14.416 -3.645 -14.293 1.000 1 A 45.950 1
ATOM 608 C CG2 . ILE 37 37 ? A 15.604 -4.102 -12.144 1.000 1 A 45.950 1
ATOM 609 C CD1 . ILE 37 37 ? A 13.921 -2.202 -14.125 1.000 1 A 45.950 1
ATOM 610 H H . ILE 37 37 ? A 12.214 -6.577 -13.782 1.000 1 A 45.950 1
ATOM 611 H HA . ILE 37 37 ? A 15.172 -6.296 -13.695 1.000 1 A 45.950 1
ATOM 612 H HB . ILE 37 37 ? A 13.553 -4.103 -12.367 1.000 1 A 45.950 1
ATOM 613 H HG12 . ILE 37 37 ? A 13.812 -4.110 -15.073 1.000 1 A 45.950 1
ATOM 614 H HG13 . ILE 37 37 ? A 15.436 -3.629 -14.676 1.000 1 A 45.950 1
ATOM 615 H HG21 . ILE 37 37 ? A 15.586 -4.604 -11.177 1.000 1 A 45.950 1
ATOM 616 H HG22 . ILE 37 37 ? A 16.518 -4.360 -12.679 1.000 1 A 45.950 1
ATOM 617 H HG23 . ILE 37 37 ? A 15.619 -3.030 -11.947 1.000 1 A 45.950 1
ATOM 618 H HD11 . ILE 37 37 ? A 13.981 -1.691 -15.086 1.000 1 A 45.950 1
ATOM 619 H HD12 . ILE 37 37 ? A 12.882 -2.199 -13.795 1.000 1 A 45.950 1
ATOM 620 H HD13 . ILE 37 37 ? A 14.536 -1.663 -13.405 1.000 1 A 45.950 1
ATOM 621 N N . PRO 38 38 ? A 15.221 -7.372 -11.355 1.000 1 A 45.550 1
ATOM 622 C CA . PRO 38 38 ? A 15.203 -8.395 -10.296 1.000 1 A 45.550 1
ATOM 623 C C . PRO 38 38 ? A 15.201 -7.926 -8.823 1.000 1 A 45.550 1
ATOM 624 O O . PRO 38 38 ? A 15.221 -8.779 -7.938 1.000 1 A 45.550 1
ATOM 625 C CB . PRO 38 38 ? A 16.428 -9.277 -10.595 1.000 1 A 45.550 1
ATOM 626 C CG . PRO 38 38 ? A 17.423 -8.314 -11.228 1.000 1 A 45.550 1
ATOM 627 C CD . PRO 38 38 ? A 16.512 -7.414 -12.041 1.000 1 A 45.550 1
ATOM 628 H HA . PRO 38 38 ? A 14.308 -9.004 -10.422 1.000 1 A 45.550 1
ATOM 629 H HB2 . PRO 38 38 ? A 16.152 -10.040 -11.323 1.000 1 A 45.550 1
ATOM 630 H HB3 . PRO 38 38 ? A 16.841 -9.750 -9.703 1.000 1 A 45.550 1
ATOM 631 H HG2 . PRO 38 38 ? A 17.919 -7.732 -10.451 1.000 1 A 45.550 1
ATOM 632 H HG3 . PRO 38 38 ? A 18.151 -8.830 -11.854 1.000 1 A 45.550 1
ATOM 633 H HD2 . PRO 38 38 ? A 16.963 -6.425 -12.126 1.000 1 A 45.550 1
ATOM 634 H HD3 . PRO 38 38 ? A 16.387 -7.857 -13.029 1.000 1 A 45.550 1
ATOM 635 N N . GLU 39 39 ? A 15.198 -6.630 -8.504 1.000 1 A 49.620 1
ATOM 636 C CA . GLU 39 39 ? A 15.372 -6.162 -7.111 1.000 1 A 49.620 1
ATOM 637 C C . GLU 39 39 ? A 14.053 -5.908 -6.359 1.000 1 A 49.620 1
ATOM 638 O O . GLU 39 39 ? A 13.001 -5.715 -6.964 1.000 1 A 49.620 1
ATOM 639 C CB . GLU 39 39 ? A 16.321 -4.956 -7.071 1.000 1 A 49.620 1
ATOM 640 C CG . GLU 39 39 ? A 17.758 -5.406 -7.394 1.000 1 A 49.620 1
ATOM 641 C CD . GLU 39 39 ? A 18.787 -4.267 -7.384 1.000 1 A 49.620 1
ATOM 642 O OE1 . GLU 39 39 ? A 19.990 -4.596 -7.493 1.000 1 A 49.620 1
ATOM 643 O OE2 . GLU 39 39 ? A 18.375 -3.091 -7.281 1.000 1 A 49.620 1
ATOM 644 H H . GLU 39 39 ? A 15.137 -5.939 -9.239 1.000 1 A 49.620 1
ATOM 645 H HA . GLU 39 39 ? A 15.870 -6.949 -6.545 1.000 1 A 49.620 1
ATOM 646 H HB2 . GLU 39 39 ? A 16.310 -4.522 -6.071 1.000 1 A 49.620 1
ATOM 647 H HB3 . GLU 39 39 ? A 15.985 -4.207 -7.788 1.000 1 A 49.620 1
ATOM 648 H HG2 . GLU 39 39 ? A 17.773 -5.872 -8.379 1.000 1 A 49.620 1
ATOM 649 H HG3 . GLU 39 39 ? A 18.056 -6.158 -6.664 1.000 1 A 49.620 1
ATOM 650 N N . GLU 40 40 ? A 14.099 -5.929 -5.018 1.000 1 A 51.460 1
ATOM 651 C CA . GLU 40 40 ? A 12.960 -5.705 -4.113 1.000 1 A 51.460 1
ATOM 652 C C . GLU 40 40 ? A 12.337 -4.307 -4.304 1.000 1 A 51.460 1
ATOM 653 O O . GLU 40 40 ? A 12.627 -3.364 -3.574 1.000 1 A 51.460 1
ATOM 654 C CB . GLU 40 40 ? A 13.387 -5.898 -2.640 1.000 1 A 51.460 1
ATOM 655 C CG . GLU 40 40 ? A 13.758 -7.341 -2.266 1.000 1 A 51.460 1
ATOM 656 C CD . GLU 40 40 ? A 14.021 -7.528 -0.757 1.000 1 A 51.460 1
ATOM 657 O OE1 . GLU 40 40 ? A 13.932 -8.696 -0.312 1.000 1 A 51.460 1
ATOM 658 O OE2 . GLU 40 40 ? A 14.259 -6.526 -0.046 1.000 1 A 51.460 1
ATOM 659 H H . GLU 40 40 ? A 15.004 -6.050 -4.586 1.000 1 A 51.460 1
ATOM 660 H HA . GLU 40 40 ? A 12.188 -6.440 -4.340 1.000 1 A 51.460 1
ATOM 661 H HB2 . GLU 40 40 ? A 12.547 -5.603 -2.010 1.000 1 A 51.460 1
ATOM 662 H HB3 . GLU 40 40 ? A 14.230 -5.243 -2.423 1.000 1 A 51.460 1
ATOM 663 H HG2 . GLU 40 40 ? A 12.940 -7.993 -2.570 1.000 1 A 51.460 1
ATOM 664 H HG3 . GLU 40 40 ? A 14.647 -7.634 -2.825 1.000 1 A 51.460 1
ATOM 665 N N . ARG 41 41 ? A 11.450 -4.159 -5.296 1.000 1 A 55.350 1
ATOM 666 C CA . ARG 41 41 ? A 10.913 -2.846 -5.703 1.000 1 A 55.350 1
ATOM 667 C C . ARG 41 41 ? A 9.949 -2.211 -4.720 1.000 1 A 55.350 1
ATOM 668 O O . ARG 41 41 ? A 9.698 -1.010 -4.801 1.000 1 A 55.350 1
ATOM 669 C CB . ARG 41 41 ? A 10.183 -2.937 -7.041 1.000 1 A 55.350 1
ATOM 670 C CG . ARG 41 41 ? A 11.016 -3.608 -8.121 1.000 1 A 55.350 1
ATOM 671 C CD . ARG 41 41 ? A 10.367 -3.304 -9.454 1.000 1 A 55.350 1
ATOM 672 N NE . ARG 41 41 ? A 10.973 -4.129 -10.493 1.000 1 A 55.350 1
ATOM 673 C CZ . ARG 41 41 ? A 11.019 -3.825 -11.761 1.000 1 A 55.350 1
ATOM 674 N NH1 . ARG 41 41 ? A 10.765 -2.630 -12.198 1.000 1 A 55.350 1
ATOM 675 N NH2 . ARG 41 41 ? A 11.332 -4.747 -12.605 1.000 1 A 55.350 1
ATOM 676 H H . ARG 41 41 ? A 11.432 -4.908 -5.973 1.000 1 A 55.350 1
ATOM 677 H HA . ARG 41 41 ? A 11.755 -2.160 -5.795 1.000 1 A 55.350 1
ATOM 678 H HB2 . ARG 41 41 ? A 9.937 -1.924 -7.358 1.000 1 A 55.350 1
ATOM 679 H HB3 . ARG 41 41 ? A 9.253 -3.493 -6.917 1.000 1 A 55.350 1
ATOM 680 H HG2 . ARG 41 41 ? A 12.039 -3.232 -8.114 1.000 1 A 55.350 1
ATOM 681 H HG3 . ARG 41 41 ? A 11.003 -4.686 -7.964 1.000 1 A 55.350 1
ATOM 682 H HD2 . ARG 41 41 ? A 10.495 -2.242 -9.663 1.000 1 A 55.350 1
ATOM 683 H HD3 . ARG 41 41 ? A 9.303 -3.533 -9.402 1.000 1 A 55.350 1
ATOM 684 H HE . ARG 41 41 ? A 11.259 -5.064 -10.240 1.000 1 A 55.350 1
ATOM 685 H HH11 . ARG 41 41 ? A 10.866 -2.444 -13.185 1.000 1 A 55.350 1
ATOM 686 H HH12 . ARG 41 41 ? A 10.578 -1.890 -11.537 1.000 1 A 55.350 1
ATOM 687 H HH21 . ARG 41 41 ? A 11.431 -4.545 -13.590 1.000 1 A 55.350 1
ATOM 688 H HH22 . ARG 41 41 ? A 11.602 -5.651 -12.245 1.000 1 A 55.350 1
ATOM 689 N N . CYS 42 42 ? A 9.353 -3.030 -3.859 1.000 1 A 48.800 1
ATOM 690 C CA . CYS 42 42 ? A 8.474 -2.565 -2.810 1.000 1 A 48.800 1
ATOM 691 C C . CYS 42 42 ? A 8.803 -3.256 -1.498 1.000 1 A 48.800 1
ATOM 692 O O . CYS 42 42 ? A 8.541 -4.448 -1.324 1.000 1 A 48.800 1
ATOM 693 C CB . CYS 42 42 ? A 7.015 -2.724 -3.211 1.000 1 A 48.800 1
ATOM 694 S SG . CYS 42 42 ? A 5.969 -1.883 -1.984 1.000 1 A 48.800 1
ATOM 695 H H . CYS 42 42 ? A 9.655 -3.994 -3.850 1.000 1 A 48.800 1
ATOM 696 H HA . CYS 42 42 ? A 8.651 -1.496 -2.687 1.000 1 A 48.800 1
ATOM 697 H HB2 . CYS 42 42 ? A 6.859 -2.281 -4.195 1.000 1 A 48.800 1
ATOM 698 H HB3 . CYS 42 42 ? A 6.776 -3.787 -3.229 1.000 1 A 48.800 1
ATOM 699 H HG . CYS 42 42 ? A 6.573 -0.695 -2.069 1.000 1 A 48.800 1
ATOM 700 N N . THR 43 43 ? A 9.359 -2.488 -0.570 1.000 1 A 54.850 1
ATOM 701 C CA . THR 43 43 ? A 9.483 -2.893 0.828 1.000 1 A 54.850 1
ATOM 702 C C . THR 43 43 ? A 8.602 -1.991 1.676 1.000 1 A 54.850 1
ATOM 703 O O . THR 43 43 ? A 8.184 -0.913 1.252 1.000 1 A 54.850 1
ATOM 704 C CB . THR 43 43 ? A 10.941 -2.937 1.311 1.000 1 A 54.850 1
ATOM 705 O OG1 . THR 43 43 ? A 11.565 -1.694 1.202 1.000 1 A 54.850 1
ATOM 706 C CG2 . THR 43 43 ? A 11.796 -3.912 0.509 1.000 1 A 54.850 1
ATOM 707 H H . THR 43 43 ? A 9.507 -1.513 -0.788 1.000 1 A 54.850 1
ATOM 708 H HA . THR 43 43 ? A 9.093 -3.904 0.942 1.000 1 A 54.850 1
ATOM 709 H HB . THR 43 43 ? A 10.952 -3.244 2.357 1.000 1 A 54.850 1
ATOM 710 H HG1 . THR 43 43 ? A 12.094 -1.723 0.402 1.000 1 A 54.850 1
ATOM 711 H HG21 . THR 43 43 ? A 12.800 -3.964 0.931 1.000 1 A 54.850 1
ATOM 712 H HG22 . THR 43 43 ? A 11.361 -4.911 0.548 1.000 1 A 54.850 1
ATOM 713 H HG23 . THR 43 43 ? A 11.870 -3.602 -0.533 1.000 1 A 54.850 1
ATOM 714 N N . TYR 44 44 ? A 8.254 -2.440 2.877 1.000 1 A 51.190 1
ATOM 715 C CA . TYR 44 44 ? A 7.434 -1.640 3.770 1.000 1 A 51.190 1
ATOM 716 C C . TYR 44 44 ? A 7.974 -1.645 5.184 1.000 1 A 51.190 1
ATOM 717 O O . TYR 44 44 ? A 8.535 -2.630 5.666 1.000 1 A 51.190 1
ATOM 718 C CB . TYR 44 44 ? A 5.975 -2.094 3.744 1.000 1 A 51.190 1
ATOM 719 C CG . TYR 44 44 ? A 5.726 -3.386 4.497 1.000 1 A 51.190 1
ATOM 720 C CD1 . TYR 44 44 ? A 6.027 -4.620 3.884 1.000 1 A 51.190 1
ATOM 721 C CD2 . TYR 44 44 ? A 5.113 -3.358 5.765 1.000 1 A 51.190 1
ATOM 722 C CE1 . TYR 44 44 ? A 5.680 -5.824 4.520 1.000 1 A 51.190 1
ATOM 723 C CE2 . TYR 44 44 ? A 4.792 -4.564 6.418 1.000 1 A 51.190 1
ATOM 724 C CZ . TYR 44 44 ? A 5.070 -5.799 5.788 1.000 1 A 51.190 1
ATOM 725 O OH . TYR 44 44 ? A 4.742 -6.965 6.402 1.000 1 A 51.190 1
ATOM 726 H H . TYR 44 44 ? A 8.634 -3.310 3.223 1.000 1 A 51.190 1
ATOM 727 H HA . TYR 44 44 ? A 7.466 -0.608 3.421 1.000 1 A 51.190 1
ATOM 728 H HB2 . TYR 44 44 ? A 5.659 -2.206 2.707 1.000 1 A 51.190 1
ATOM 729 H HB3 . TYR 44 44 ? A 5.362 -1.307 4.183 1.000 1 A 51.190 1
ATOM 730 H HD1 . TYR 44 44 ? A 6.472 -4.641 2.901 1.000 1 A 51.190 1
ATOM 731 H HD2 . TYR 44 44 ? A 4.876 -2.408 6.222 1.000 1 A 51.190 1
ATOM 732 H HE1 . TYR 44 44 ? A 5.885 -6.772 4.044 1.000 1 A 51.190 1
ATOM 733 H HE2 . TYR 44 44 ? A 4.317 -4.546 7.388 1.000 1 A 51.190 1
ATOM 734 H HH . TYR 44 44 ? A 4.341 -6.819 7.262 1.000 1 A 51.190 1
ATOM 735 N N . LYS 45 45 ? A 7.715 -0.547 5.883 1.000 1 A 53.460 1
ATOM 736 C CA . LYS 45 45 ? A 7.939 -0.436 7.315 1.000 1 A 53.460 1
ATOM 737 C C . LYS 45 45 ? A 6.647 0.003 7.977 1.000 1 A 53.460 1
ATOM 738 O O . LYS 45 45 ? A 6.169 1.116 7.781 1.000 1 A 53.460 1
ATOM 739 C CB . LYS 45 45 ? A 9.118 0.508 7.545 1.000 1 A 53.460 1
ATOM 740 C CG . LYS 45 45 ? A 9.602 0.493 8.995 1.000 1 A 53.460 1
ATOM 741 C CD . LYS 45 45 ? A 10.796 1.443 9.086 1.000 1 A 53.460 1
ATOM 742 C CE . LYS 45 45 ? A 11.395 1.474 10.489 1.000 1 A 53.460 1
ATOM 743 N NZ . LYS 45 45 ? A 12.533 2.422 10.505 1.000 1 A 53.460 1
ATOM 744 H H . LYS 45 45 ? A 7.305 0.230 5.385 1.000 1 A 53.460 1
ATOM 745 H HA . LYS 45 45 ? A 8.215 -1.414 7.709 1.000 1 A 53.460 1
ATOM 746 H HB2 . LYS 45 45 ? A 9.940 0.196 6.900 1.000 1 A 53.460 1
ATOM 747 H HB3 . LYS 45 45 ? A 8.840 1.525 7.268 1.000 1 A 53.460 1
ATOM 748 H HG2 . LYS 45 45 ? A 9.909 -0.516 9.272 1.000 1 A 53.460 1
ATOM 749 H HG3 . LYS 45 45 ? A 8.808 0.833 9.660 1.000 1 A 53.460 1
ATOM 750 H HD2 . LYS 45 45 ? A 10.469 2.444 8.806 1.000 1 A 53.460 1
ATOM 751 H HD3 . LYS 45 45 ? A 11.559 1.122 8.376 1.000 1 A 53.460 1
ATOM 752 H HE2 . LYS 45 45 ? A 10.623 1.788 11.191 1.000 1 A 53.460 1
ATOM 753 H HE3 . LYS 45 45 ? A 11.726 0.470 10.754 1.000 1 A 53.460 1
ATOM 754 H HZ1 . LYS 45 45 ? A 13.239 2.123 9.848 1.000 1 A 53.460 1
ATOM 755 H HZ2 . LYS 45 45 ? A 12.948 2.504 11.422 1.000 1 A 53.460 1
ATOM 756 H HZ3 . LYS 45 45 ? A 12.222 3.330 10.189 1.000 1 A 53.460 1
ATOM 757 N N . PHE 46 46 ? A 6.063 -0.887 8.771 1.000 1 A 46.460 1
ATOM 758 C CA . PHE 46 46 ? A 4.907 -0.550 9.590 1.000 1 A 46.460 1
ATOM 759 C C . PHE 46 46 ? A 5.353 -0.173 10.999 1.000 1 A 46.460 1
ATOM 760 O O . PHE 46 46 ? A 5.919 -0.988 11.727 1.000 1 A 46.460 1
ATOM 761 C CB . PHE 46 46 ? A 3.896 -1.696 9.594 1.000 1 A 46.460 1
ATOM 762 C CG . PHE 46 46 ? A 2.662 -1.378 10.418 1.000 1 A 46.460 1
ATOM 763 C CD1 . PHE 46 46 ? A 2.381 -2.107 11.588 1.000 1 A 46.460 1
ATOM 764 C CD2 . PHE 46 46 ? A 1.802 -0.333 10.029 1.000 1 A 46.460 1
ATOM 765 C CE1 . PHE 46 46 ? A 1.226 -1.820 12.337 1.000 1 A 46.460 1
ATOM 766 C CE2 . PHE 46 46 ? A 0.648 -0.045 10.775 1.000 1 A 46.460 1
ATOM 767 C CZ . PHE 46 46 ? A 0.356 -0.794 11.927 1.000 1 A 46.460 1
ATOM 768 H H . PHE 46 46 ? A 6.492 -1.795 8.877 1.000 1 A 46.460 1
ATOM 769 H HA . PHE 46 46 ? A 4.401 0.316 9.161 1.000 1 A 46.460 1
ATOM 770 H HB2 . PHE 46 46 ? A 4.375 -2.595 9.981 1.000 1 A 46.460 1
ATOM 771 H HB3 . PHE 46 46 ? A 3.588 -1.900 8.568 1.000 1 A 46.460 1
ATOM 772 H HD1 . PHE 46 46 ? A 3.043 -2.903 11.896 1.000 1 A 46.460 1
ATOM 773 H HD2 . PHE 46 46 ? A 2.030 0.262 9.156 1.000 1 A 46.460 1
ATOM 774 H HE1 . PHE 46 46 ? A 0.998 -2.409 13.214 1.000 1 A 46.460 1
ATOM 775 H HE2 . PHE 46 46 ? A -0.011 0.749 10.457 1.000 1 A 46.460 1
ATOM 776 H HZ . PHE 46 46 ? A -0.545 -0.584 12.484 1.000 1 A 46.460 1
ATOM 777 N N . ASN 47 47 ? A 5.060 1.057 11.406 1.000 1 A 48.520 1
ATOM 778 C CA . ASN 47 47 ? A 5.212 1.488 12.783 1.000 1 A 48.520 1
ATOM 779 C C . ASN 47 47 ? A 3.899 1.238 13.536 1.000 1 A 48.520 1
ATOM 780 O O . ASN 47 47 ? A 2.915 1.966 13.392 1.000 1 A 48.520 1
ATOM 781 C CB . ASN 47 47 ? A 5.689 2.943 12.796 1.000 1 A 48.520 1
ATOM 782 C CG . ASN 47 47 ? A 6.010 3.418 14.201 1.000 1 A 48.520 1
ATOM 783 O OD1 . ASN 47 47 ? A 5.387 3.041 15.180 1.000 1 A 48.520 1
ATOM 784 N ND2 . ASN 47 47 ? A 7.010 4.252 14.358 1.000 1 A 48.520 1
ATOM 785 H H . ASN 47 47 ? A 4.584 1.678 10.768 1.000 1 A 48.520 1
ATOM 786 H HA . ASN 47 47 ? A 5.991 0.893 13.261 1.000 1 A 48.520 1
ATOM 787 H HB2 . ASN 47 47 ? A 6.584 3.024 12.180 1.000 1 A 48.520 1
ATOM 788 H HB3 . ASN 47 47 ? A 4.920 3.580 12.360 1.000 1 A 48.520 1
ATOM 789 H HD21 . ASN 47 47 ? A 7.557 4.549 13.562 1.000 1 A 48.520 1
ATOM 790 H HD22 . ASN 47 47 ? A 7.242 4.514 15.306 1.000 1 A 48.520 1
ATOM 791 N N . SER 48 48 ? A 3.892 0.204 14.378 1.000 1 A 46.070 1
ATOM 792 C CA . SER 48 48 ? A 2.716 -0.197 15.154 1.000 1 A 46.070 1
ATOM 793 C C . SER 48 48 ? A 2.283 0.830 16.206 1.000 1 A 46.070 1
ATOM 794 O O . SER 48 48 ? A 1.099 0.840 16.566 1.000 1 A 46.070 1
ATOM 795 C CB . SER 48 48 ? A 2.991 -1.545 15.824 1.000 1 A 46.070 1
ATOM 796 O OG . SER 48 48 ? A 4.085 -1.425 16.711 1.000 1 A 46.070 1
ATOM 797 H H . SER 48 48 ? A 4.730 -0.353 14.465 1.000 1 A 46.070 1
ATOM 798 H HA . SER 48 48 ? A 1.881 -0.318 14.464 1.000 1 A 46.070 1
ATOM 799 H HB2 . SER 48 48 ? A 3.224 -2.285 15.058 1.000 1 A 46.070 1
ATOM 800 H HB3 . SER 48 48 ? A 2.108 -1.870 16.374 1.000 1 A 46.070 1
ATOM 801 H HG . SER 48 48 ? A 4.359 -2.294 17.013 1.000 1 A 46.070 1
ATOM 802 N N . TYR 49 49 ? A 3.210 1.679 16.667 1.000 1 A 47.240 1
ATOM 803 C CA . TYR 49 49 ? A 2.979 2.730 17.659 1.000 1 A 47.240 1
ATOM 804 C C . TYR 49 49 ? A 2.304 3.953 17.035 1.000 1 A 47.240 1
ATOM 805 O O . TYR 49 49 ? A 1.292 4.420 17.544 1.000 1 A 47.240 1
ATOM 806 C CB . TYR 49 49 ? A 4.314 3.103 18.327 1.000 1 A 47.240 1
ATOM 807 C CG . TYR 49 49 ? A 4.186 4.143 19.422 1.000 1 A 47.240 1
ATOM 808 C CD1 . TYR 49 49 ? A 4.413 5.506 19.145 1.000 1 A 47.240 1
ATOM 809 C CD2 . TYR 49 49 ? A 3.827 3.740 20.721 1.000 1 A 47.240 1
ATOM 810 C CE1 . TYR 49 49 ? A 4.271 6.469 20.163 1.000 1 A 47.240 1
ATOM 811 C CE2 . TYR 49 49 ? A 3.690 4.698 21.742 1.000 1 A 47.240 1
ATOM 812 C CZ . TYR 49 49 ? A 3.907 6.063 21.466 1.000 1 A 47.240 1
ATOM 813 O OH . TYR 49 49 ? A 3.766 6.977 22.459 1.000 1 A 47.240 1
ATOM 814 H H . TYR 49 49 ? A 4.139 1.615 16.277 1.000 1 A 47.240 1
ATOM 815 H HA . TYR 49 49 ? A 2.311 2.350 18.432 1.000 1 A 47.240 1
ATOM 816 H HB2 . TYR 49 49 ? A 4.754 2.203 18.754 1.000 1 A 47.240 1
ATOM 817 H HB3 . TYR 49 49 ? A 5.011 3.481 17.579 1.000 1 A 47.240 1
ATOM 818 H HD1 . TYR 49 49 ? A 4.693 5.817 18.149 1.000 1 A 47.240 1
ATOM 819 H HD2 . TYR 49 49 ? A 3.654 2.696 20.938 1.000 1 A 47.240 1
ATOM 820 H HE1 . TYR 49 49 ? A 4.438 7.515 19.951 1.000 1 A 47.240 1
ATOM 821 H HE2 . TYR 49 49 ? A 3.414 4.403 22.744 1.000 1 A 47.240 1
ATOM 822 H HH . TYR 49 49 ? A 3.934 7.875 22.161 1.000 1 A 47.240 1
ATOM 823 N N . THR 50 50 ? A 2.810 4.439 15.899 1.000 1 A 50.520 1
ATOM 824 C CA . THR 50 50 ? A 2.243 5.614 15.210 1.000 1 A 50.520 1
ATOM 825 C C . THR 50 50 ? A 1.134 5.271 14.220 1.000 1 A 50.520 1
ATOM 826 O O . THR 50 50 ? A 0.527 6.181 13.664 1.000 1 A 50.520 1
ATOM 827 C CB . THR 50 50 ? A 3.324 6.425 14.487 1.000 1 A 50.520 1
ATOM 828 O OG1 . THR 50 50 ? A 3.938 5.638 13.498 1.000 1 A 50.520 1
ATOM 829 C CG2 . THR 50 50 ? A 4.434 6.905 15.418 1.000 1 A 50.520 1
ATOM 830 H H . THR 50 50 ? A 3.637 4.006 15.512 1.000 1 A 50.520 1
ATOM 831 H HA . THR 50 50 ? A 1.790 6.270 15.954 1.000 1 A 50.520 1
ATOM 832 H HB . THR 50 50 ? A 2.868 7.297 14.019 1.000 1 A 50.520 1
ATOM 833 H HG1 . THR 50 50 ? A 4.722 6.107 13.202 1.000 1 A 50.520 1
ATOM 834 H HG21 . THR 50 50 ? A 5.002 6.058 15.802 1.000 1 A 50.520 1
ATOM 835 H HG22 . THR 50 50 ? A 3.996 7.454 16.252 1.000 1 A 50.520 1
ATOM 836 H HG23 . THR 50 50 ? A 5.107 7.570 14.876 1.000 1 A 50.520 1
ATOM 837 N N . LYS 51 51 ? A 0.897 3.977 13.956 1.000 1 A 45.760 1
ATOM 838 C CA . LYS 51 51 ? A 0.033 3.480 12.868 1.000 1 A 45.760 1
ATOM 839 C C . LYS 51 51 ? A 0.439 4.003 11.488 1.000 1 A 45.760 1
ATOM 840 O O . LYS 51 51 ? A -0.371 4.008 10.568 1.000 1 A 45.760 1
ATOM 841 C CB . LYS 51 51 ? A -1.461 3.738 13.167 1.000 1 A 45.760 1
ATOM 842 C CG . LYS 51 51 ? A -1.951 3.230 14.527 1.000 1 A 45.760 1
ATOM 843 C CD . LYS 51 51 ? A -1.725 1.726 14.688 1.000 1 A 45.760 1
ATOM 844 C CE . LYS 51 51 ? A -2.295 1.284 16.031 1.000 1 A 45.760 1
ATOM 845 N NZ . LYS 51 51 ? A -1.675 0.014 16.458 1.000 1 A 45.760 1
ATOM 846 H H . LYS 51 51 ? A 1.512 3.309 14.398 1.000 1 A 45.760 1
ATOM 847 H HA . LYS 51 51 ? A 0.188 2.404 12.791 1.000 1 A 45.760 1
ATOM 848 H HB2 . LYS 51 51 ? A -1.658 4.809 13.111 1.000 1 A 45.760 1
ATOM 849 H HB3 . LYS 51 51 ? A -2.062 3.263 12.392 1.000 1 A 45.760 1
ATOM 850 H HG2 . LYS 51 51 ? A -1.437 3.766 15.325 1.000 1 A 45.760 1
ATOM 851 H HG3 . LYS 51 51 ? A -3.017 3.442 14.607 1.000 1 A 45.760 1
ATOM 852 H HD2 . LYS 51 51 ? A -0.653 1.528 14.663 1.000 1 A 45.760 1
ATOM 853 H HD3 . LYS 51 51 ? A -2.215 1.188 13.877 1.000 1 A 45.760 1
ATOM 854 H HE2 . LYS 51 51 ? A -3.379 1.200 15.948 1.000 1 A 45.760 1
ATOM 855 H HE3 . LYS 51 51 ? A -2.075 2.060 16.765 1.000 1 A 45.760 1
ATOM 856 H HZ1 . LYS 51 51 ? A -2.037 -0.264 17.359 1.000 1 A 45.760 1
ATOM 857 H HZ2 . LYS 51 51 ? A -0.683 0.175 16.557 1.000 1 A 45.760 1
ATOM 858 H HZ3 . LYS 51 51 ? A -1.833 -0.708 15.768 1.000 1 A 45.760 1
ATOM 859 N N . LYS 52 52 ? A 1.696 4.426 11.329 1.000 1 A 47.200 1
ATOM 860 C CA . LYS 52 52 ? A 2.233 4.869 10.042 1.000 1 A 47.200 1
ATOM 861 C C . LYS 52 52 ? A 2.820 3.692 9.295 1.000 1 A 47.200 1
ATOM 862 O O . LYS 52 52 ? A 3.515 2.857 9.876 1.000 1 A 47.200 1
ATOM 863 C CB . LYS 52 52 ? A 3.254 5.995 10.204 1.000 1 A 47.200 1
ATOM 864 C CG . LYS 52 52 ? A 2.572 7.263 10.728 1.000 1 A 47.200 1
ATOM 865 C CD . LYS 52 52 ? A 3.552 8.435 10.764 1.000 1 A 47.200 1
ATOM 866 C CE . LYS 52 52 ? A 2.794 9.690 11.203 1.000 1 A 47.200 1
ATOM 867 N NZ . LYS 52 52 ? A 3.645 10.899 11.103 1.000 1 A 47.200 1
ATOM 868 H H . LYS 52 52 ? A 2.322 4.351 12.118 1.000 1 A 47.200 1
ATOM 869 H HA . LYS 52 52 ? A 1.415 5.254 9.434 1.000 1 A 47.200 1
ATOM 870 H HB2 . LYS 52 52 ? A 4.056 5.683 10.873 1.000 1 A 47.200 1
ATOM 871 H HB3 . LYS 52 52 ? A 3.688 6.211 9.228 1.000 1 A 47.200 1
ATOM 872 H HG2 . LYS 52 52 ? A 2.181 7.089 11.731 1.000 1 A 47.200 1
ATOM 873 H HG3 . LYS 52 52 ? A 1.742 7.517 10.069 1.000 1 A 47.200 1
ATOM 874 H HD2 . LYS 52 52 ? A 4.363 8.217 11.459 1.000 1 A 47.200 1
ATOM 875 H HD3 . LYS 52 52 ? A 3.960 8.584 9.765 1.000 1 A 47.200 1
ATOM 876 H HE2 . LYS 52 52 ? A 2.432 9.550 12.221 1.000 1 A 47.200 1
ATOM 877 H HE3 . LYS 52 52 ? A 1.926 9.804 10.554 1.000 1 A 47.200 1
ATOM 878 H HZ1 . LYS 52 52 ? A 3.914 11.034 10.139 1.000 1 A 47.200 1
ATOM 879 H HZ2 . LYS 52 52 ? A 4.476 10.814 11.671 1.000 1 A 47.200 1
ATOM 880 H HZ3 . LYS 52 52 ? A 3.122 11.714 11.387 1.000 1 A 47.200 1
ATOM 881 N N . MET 53 53 ? A 2.555 3.663 8.003 1.000 1 A 48.280 1
ATOM 882 C CA . MET 53 53 ? A 3.174 2.727 7.090 1.000 1 A 48.280 1
ATOM 883 C C . MET 53 53 ? A 4.002 3.497 6.077 1.000 1 A 48.280 1
ATOM 884 O O . MET 53 53 ? A 3.536 4.459 5.473 1.000 1 A 48.280 1
ATOM 885 C CB . MET 53 53 ? A 2.091 1.888 6.443 1.000 1 A 48.280 1
ATOM 886 C CG . MET 53 53 ? A 2.700 0.830 5.539 1.000 1 A 48.280 1
ATOM 887 S SD . MET 53 53 ? A 1.385 -0.277 5.087 1.000 1 A 48.280 1
ATOM 888 C CE . MET 53 53 ? A 1.483 -1.467 6.450 1.000 1 A 48.280 1
ATOM 889 H H . MET 53 53 ? A 2.014 4.414 7.599 1.000 1 A 48.280 1
ATOM 890 H HA . MET 53 53 ? A 3.839 2.056 7.633 1.000 1 A 48.280 1
ATOM 891 H HB2 . MET 53 53 ? A 1.425 2.520 5.856 1.000 1 A 48.280 1
ATOM 892 H HB3 . MET 53 53 ? A 1.506 1.407 7.227 1.000 1 A 48.280 1
ATOM 893 H HG2 . MET 53 53 ? A 3.102 1.302 4.643 1.000 1 A 48.280 1
ATOM 894 H HG3 . MET 53 53 ? A 3.493 0.283 6.050 1.000 1 A 48.280 1
ATOM 895 H HE1 . MET 53 53 ? A 0.549 -2.022 6.533 1.000 1 A 48.280 1
ATOM 896 H HE2 . MET 53 53 ? A 2.308 -2.158 6.273 1.000 1 A 48.280 1
ATOM 897 H HE3 . MET 53 53 ? A 1.647 -0.939 7.389 1.000 1 A 48.280 1
ATOM 898 N N . GLU 54 54 ? A 5.242 3.076 5.924 1.000 1 A 50.410 1
ATOM 899 C CA . GLU 54 54 ? A 6.157 3.582 4.917 1.000 1 A 50.410 1
ATOM 900 C C . GLU 54 54 ? A 6.249 2.527 3.826 1.000 1 A 50.410 1
ATOM 901 O O . GLU 54 54 ? A 6.563 1.376 4.125 1.000 1 A 50.410 1
ATOM 902 C CB . GLU 54 54 ? A 7.504 3.875 5.586 1.000 1 A 50.410 1
ATOM 903 C CG . GLU 54 54 ? A 7.407 5.141 6.454 1.000 1 A 50.410 1
ATOM 904 C CD . GLU 54 54 ? A 8.669 5.456 7.273 1.000 1 A 50.410 1
ATOM 905 O OE1 . GLU 54 54 ? A 8.657 6.534 7.915 1.000 1 A 50.410 1
ATOM 906 O OE2 . GLU 54 54 ? A 9.590 4.609 7.353 1.000 1 A 50.410 1
ATOM 907 H H . GLU 54 54 ? A 5.578 2.311 6.492 1.000 1 A 50.410 1
ATOM 908 H HA . GLU 54 54 ? A 5.784 4.506 4.475 1.000 1 A 50.410 1
ATOM 909 H HB2 . GLU 54 54 ? A 8.278 3.994 4.828 1.000 1 A 50.410 1
ATOM 910 H HB3 . GLU 54 54 ? A 7.772 3.024 6.213 1.000 1 A 50.410 1
ATOM 911 H HG2 . GLU 54 54 ? A 6.578 5.032 7.153 1.000 1 A 50.410 1
ATOM 912 H HG3 . GLU 54 54 ? A 7.177 5.989 5.808 1.000 1 A 50.410 1
ATOM 913 N N . LEU 55 55 ? A 5.920 2.906 2.594 1.000 1 A 54.320 1
ATOM 914 C CA . LEU 55 55 ? A 6.112 2.071 1.413 1.000 1 A 54.320 1
ATOM 915 C C . LEU 55 55 ? A 7.327 2.608 0.679 1.000 1 A 54.320 1
ATOM 916 O O . LEU 55 55 ? A 7.315 3.749 0.227 1.000 1 A 54.320 1
ATOM 917 C CB . LEU 55 55 ? A 4.868 2.089 0.509 1.000 1 A 54.320 1
ATOM 918 C CG . LEU 55 55 ? A 3.563 1.691 1.200 1.000 1 A 54.320 1
ATOM 919 C CD1 . LEU 55 55 ? A 2.394 1.632 0.216 1.000 1 A 54.320 1
ATOM 920 C CD2 . LEU 55 55 ? A 3.666 0.328 1.849 1.000 1 A 54.320 1
ATOM 921 H H . LEU 55 55 ? A 5.690 3.877 2.435 1.000 1 A 54.320 1
ATOM 922 H HA . LEU 55 55 ? A 6.321 1.041 1.698 1.000 1 A 54.320 1
ATOM 923 H HB2 . LEU 55 55 ? A 5.051 1.408 -0.323 1.000 1 A 54.320 1
ATOM 924 H HB3 . LEU 55 55 ? A 4.744 3.095 0.109 1.000 1 A 54.320 1
ATOM 925 H HG . LEU 55 55 ? A 3.320 2.428 1.966 1.000 1 A 54.320 1
ATOM 926 H HD11 . LEU 55 55 ? A 2.314 2.574 -0.326 1.000 1 A 54.320 1
ATOM 927 H HD12 . LEU 55 55 ? A 1.467 1.451 0.760 1.000 1 A 54.320 1
ATOM 928 H HD13 . LEU 55 55 ? A 2.553 0.818 -0.492 1.000 1 A 54.320 1
ATOM 929 H HD21 . LEU 55 55 ? A 3.920 -0.418 1.096 1.000 1 A 54.320 1
ATOM 930 H HD22 . LEU 55 55 ? A 2.702 0.128 2.317 1.000 1 A 54.320 1
ATOM 931 H HD23 . LEU 55 55 ? A 4.427 0.333 2.629 1.000 1 A 54.320 1
ATOM 932 N N . LEU 56 56 ? A 8.374 1.805 0.607 1.000 1 A 54.060 1
ATOM 933 C CA . LEU 56 56 ? A 9.538 2.095 -0.207 1.000 1 A 54.060 1
ATOM 934 C C . LEU 56 56 ? A 9.222 1.643 -1.623 1.000 1 A 54.060 1
ATOM 935 O O . LEU 56 56 ? A 8.901 0.476 -1.815 1.000 1 A 54.060 1
ATOM 936 C CB . LEU 56 56 ? A 10.752 1.379 0.384 1.000 1 A 54.060 1
ATOM 937 C CG . LEU 56 56 ? A 11.293 2.078 1.643 1.000 1 A 54.060 1
ATOM 938 C CD1 . LEU 56 56 ? A 12.116 1.120 2.498 1.000 1 A 54.060 1
ATOM 939 C CD2 . LEU 56 56 ? A 12.189 3.255 1.258 1.000 1 A 54.060 1
ATOM 940 H H . LEU 56 56 ? A 8.283 0.859 0.948 1.000 1 A 54.060 1
ATOM 941 H HA . LEU 56 56 ? A 9.733 3.167 -0.205 1.000 1 A 54.060 1
ATOM 942 H HB2 . LEU 56 56 ? A 10.434 0.367 0.635 1.000 1 A 54.060 1
ATOM 943 H HB3 . LEU 56 56 ? A 11.541 1.309 -0.364 1.000 1 A 54.060 1
ATOM 944 H HG . LEU 56 56 ? A 10.469 2.445 2.255 1.000 1 A 54.060 1
ATOM 945 H HD11 . LEU 56 56 ? A 12.926 0.697 1.902 1.000 1 A 54.060 1
ATOM 946 H HD12 . LEU 56 56 ? A 12.534 1.648 3.355 1.000 1 A 54.060 1
ATOM 947 H HD13 . LEU 56 56 ? A 11.476 0.314 2.857 1.000 1 A 54.060 1
ATOM 948 H HD21 . LEU 56 56 ? A 11.608 4.017 0.739 1.000 1 A 54.060 1
ATOM 949 H HD22 . LEU 56 56 ? A 12.648 3.689 2.146 1.000 1 A 54.060 1
ATOM 950 H HD23 . LEU 56 56 ? A 12.984 2.913 0.596 1.000 1 A 54.060 1
ATOM 951 N N . PHE 57 57 ? A 9.278 2.556 -2.582 1.000 1 A 59.280 1
ATOM 952 C CA . PHE 57 57 ? A 9.110 2.246 -3.998 1.000 1 A 59.280 1
ATOM 953 C C . PHE 57 57 ? A 10.356 2.658 -4.770 1.000 1 A 59.280 1
ATOM 954 O O . PHE 57 57 ? A 11.015 3.634 -4.410 1.000 1 A 59.280 1
ATOM 955 C CB . PHE 57 57 ? A 7.863 2.947 -4.546 1.000 1 A 59.280 1
ATOM 956 C CG . PHE 57 57 ? A 6.556 2.452 -3.959 1.000 1 A 59.280 1
ATOM 957 C CD1 . PHE 57 57 ? A 6.119 1.138 -4.210 1.000 1 A 59.280 1
ATOM 958 C CD2 . PHE 57 57 ? A 5.761 3.312 -3.183 1.000 1 A 59.280 1
ATOM 959 C CE1 . PHE 57 57 ? A 4.871 0.704 -3.732 1.000 1 A 59.280 1
ATOM 960 C CE2 . PHE 57 57 ? A 4.513 2.876 -2.707 1.000 1 A 59.280 1
ATOM 961 C CZ . PHE 57 57 ? A 4.065 1.576 -2.987 1.000 1 A 59.280 1
ATOM 962 H H . PHE 57 57 ? A 9.581 3.488 -2.337 1.000 1 A 59.280 1
ATOM 963 H HA . PHE 57 57 ? A 8.983 1.172 -4.132 1.000 1 A 59.280 1
ATOM 964 H HB2 . PHE 57 57 ? A 7.823 2.800 -5.626 1.000 1 A 59.280 1
ATOM 965 H HB3 . PHE 57 57 ? A 7.960 4.019 -4.375 1.000 1 A 59.280 1
ATOM 966 H HD1 . PHE 57 57 ? A 6.733 0.467 -4.793 1.000 1 A 59.280 1
ATOM 967 H HD2 . PHE 57 57 ? A 6.109 4.310 -2.962 1.000 1 A 59.280 1
ATOM 968 H HE1 . PHE 57 57 ? A 4.529 -0.296 -3.954 1.000 1 A 59.280 1
ATOM 969 H HE2 . PHE 57 57 ? A 3.890 3.542 -2.128 1.000 1 A 59.280 1
ATOM 970 H HZ . PHE 57 57 ? A 3.102 1.245 -2.628 1.000 1 A 59.280 1
ATOM 971 N N . THR 58 58 ? A 10.644 1.983 -5.880 1.000 1 A 60.390 1
ATOM 972 C CA . THR 58 58 ? A 11.575 2.563 -6.852 1.000 1 A 60.390 1
ATOM 973 C C . THR 58 58 ? A 10.939 3.810 -7.499 1.000 1 A 60.390 1
ATOM 974 O O . THR 58 58 ? A 9.707 3.911 -7.574 1.000 1 A 60.390 1
ATOM 975 C CB . THR 58 58 ? A 12.066 1.568 -7.914 1.000 1 A 60.390 1
ATOM 976 O OG1 . THR 58 58 ? A 11.082 1.291 -8.883 1.000 1 A 60.390 1
ATOM 977 C CG2 . THR 58 58 ? A 12.600 0.265 -7.324 1.000 1 A 60.390 1
ATOM 978 H H . THR 58 58 ? A 10.105 1.169 -6.138 1.000 1 A 60.390 1
ATOM 979 H HA . THR 58 58 ? A 12.460 2.871 -6.295 1.000 1 A 60.390 1
ATOM 980 H HB . THR 58 58 ? A 12.903 2.035 -8.433 1.000 1 A 60.390 1
ATOM 981 H HG1 . THR 58 58 ? A 11.496 1.609 -9.688 1.000 1 A 60.390 1
ATOM 982 H HG21 . THR 58 58 ? A 12.876 -0.416 -8.129 1.000 1 A 60.390 1
ATOM 983 H HG22 . THR 58 58 ? A 13.489 0.478 -6.731 1.000 1 A 60.390 1
ATOM 984 H HG23 . THR 58 58 ? A 11.847 -0.202 -6.689 1.000 1 A 60.390 1
ATOM 985 N N . PRO 59 59 ? A 11.740 4.778 -7.973 1.000 1 A 57.320 1
ATOM 986 C CA . PRO 59 59 ? A 11.295 5.940 -8.743 1.000 1 A 57.320 1
ATOM 987 C C . PRO 59 59 ? A 10.319 5.604 -9.851 1.000 1 A 57.320 1
ATOM 988 O O . PRO 59 59 ? A 9.288 6.258 -9.983 1.000 1 A 57.320 1
ATOM 989 C CB . PRO 59 59 ? A 12.564 6.518 -9.362 1.000 1 A 57.320 1
ATOM 990 C CG . PRO 59 59 ? A 13.575 6.220 -8.284 1.000 1 A 57.320 1
ATOM 991 C CD . PRO 59 59 ? A 13.159 4.872 -7.731 1.000 1 A 57.320 1
ATOM 992 H HA . PRO 59 59 ? A 10.842 6.680 -8.083 1.000 1 A 57.320 1
ATOM 993 H HB2 . PRO 59 59 ? A 12.479 7.585 -9.571 1.000 1 A 57.320 1
ATOM 994 H HB3 . PRO 59 59 ? A 12.849 5.980 -10.266 1.000 1 A 57.320 1
ATOM 995 H HG2 . PRO 59 59 ? A 13.443 6.963 -7.498 1.000 1 A 57.320 1
ATOM 996 H HG3 . PRO 59 59 ? A 14.587 6.196 -8.687 1.000 1 A 57.320 1
ATOM 997 H HD2 . PRO 59 59 ? A 13.327 4.873 -6.654 1.000 1 A 57.320 1
ATOM 998 H HD3 . PRO 59 59 ? A 13.697 4.073 -8.241 1.000 1 A 57.320 1
ATOM 999 N N . GLU 60 60 ? A 10.635 4.560 -10.612 1.000 1 A 58.010 1
ATOM 1000 C CA . GLU 60 60 ? A 9.854 4.109 -11.754 1.000 1 A 58.010 1
ATOM 1001 C C . GLU 60 60 ? A 8.484 3.630 -11.291 1.000 1 A 58.010 1
ATOM 1002 O O . GLU 60 60 ? A 7.472 3.963 -11.896 1.000 1 A 58.010 1
ATOM 1003 C CB . GLU 60 60 ? A 10.569 2.967 -12.503 1.000 1 A 58.010 1
ATOM 1004 C CG . GLU 60 60 ? A 12.001 3.284 -12.974 1.000 1 A 58.010 1
ATOM 1005 C CD . GLU 60 60 ? A 13.043 3.289 -11.843 1.000 1 A 58.010 1
ATOM 1006 O OE1 . GLU 60 60 ? A 14.114 3.893 -12.050 1.000 1 A 58.010 1
ATOM 1007 O OE2 . GLU 60 60 ? A 12.725 2.754 -10.748 1.000 1 A 58.010 1
ATOM 1008 H H . GLU 60 60 ? A 11.497 4.070 -10.418 1.000 1 A 58.010 1
ATOM 1009 H HA . GLU 60 60 ? A 9.701 4.942 -12.440 1.000 1 A 58.010 1
ATOM 1010 H HB2 . GLU 60 60 ? A 9.974 2.737 -13.386 1.000 1 A 58.010 1
ATOM 1011 H HB3 . GLU 60 60 ? A 10.578 2.067 -11.888 1.000 1 A 58.010 1
ATOM 1012 H HG2 . GLU 60 60 ? A 11.992 4.249 -13.482 1.000 1 A 58.010 1
ATOM 1013 H HG3 . GLU 60 60 ? A 12.289 2.528 -13.705 1.000 1 A 58.010 1
ATOM 1014 N N . PHE 61 61 ? A 8.426 2.900 -10.176 1.000 1 A 60.470 1
ATOM 1015 C CA . PHE 61 61 ? A 7.155 2.480 -9.605 1.000 1 A 60.470 1
ATOM 1016 C C . PHE 61 61 ? A 6.355 3.677 -9.068 1.000 1 A 60.470 1
ATOM 1017 O O . PHE 61 61 ? A 5.140 3.746 -9.250 1.000 1 A 60.470 1
ATOM 1018 C CB . PHE 61 61 ? A 7.420 1.421 -8.533 1.000 1 A 60.470 1
ATOM 1019 C CG . PHE 61 61 ? A 6.152 0.724 -8.103 1.000 1 A 60.470 1
ATOM 1020 C CD1 . PHE 61 61 ? A 5.321 1.305 -7.133 1.000 1 A 60.470 1
ATOM 1021 C CD2 . PHE 61 61 ? A 5.766 -0.475 -8.725 1.000 1 A 60.470 1
ATOM 1022 C CE1 . PHE 61 61 ? A 4.122 0.676 -6.770 1.000 1 A 60.470 1
ATOM 1023 C CE2 . PHE 61 61 ? A 4.558 -1.096 -8.370 1.000 1 A 60.470 1
ATOM 1024 C CZ . PHE 61 61 ? A 3.732 -0.517 -7.394 1.000 1 A 60.470 1
ATOM 1025 H H . PHE 61 61 ? A 9.281 2.687 -9.683 1.000 1 A 60.470 1
ATOM 1026 H HA . PHE 61 61 ? A 6.559 2.022 -10.394 1.000 1 A 60.470 1
ATOM 1027 H HB2 . PHE 61 61 ? A 8.108 0.676 -8.932 1.000 1 A 60.470 1
ATOM 1028 H HB3 . PHE 61 61 ? A 7.902 1.880 -7.670 1.000 1 A 60.470 1
ATOM 1029 H HD1 . PHE 61 61 ? A 5.596 2.243 -6.674 1.000 1 A 60.470 1
ATOM 1030 H HD2 . PHE 61 61 ? A 6.385 -0.914 -9.494 1.000 1 A 60.470 1
ATOM 1031 H HE1 . PHE 61 61 ? A 3.500 1.121 -6.007 1.000 1 A 60.470 1
ATOM 1032 H HE2 . PHE 61 61 ? A 4.257 -2.006 -8.867 1.000 1 A 60.470 1
ATOM 1033 H HZ . PHE 61 61 ? A 2.789 -0.981 -7.148 1.000 1 A 60.470 1
ATOM 1034 N N . HIS 62 62 ? A 7.013 4.655 -8.440 1.000 1 A 58.750 1
ATOM 1035 C CA . HIS 62 62 ? A 6.344 5.843 -7.911 1.000 1 A 58.750 1
ATOM 1036 C C . HIS 62 62 ? A 5.728 6.734 -8.998 1.000 1 A 58.750 1
ATOM 1037 O O . HIS 62 62 ? A 4.624 7.251 -8.814 1.000 1 A 58.750 1
ATOM 1038 C CB . HIS 62 62 ? A 7.330 6.655 -7.075 1.000 1 A 58.750 1
ATOM 1039 C CG . HIS 62 62 ? A 6.703 7.911 -6.528 1.000 1 A 58.750 1
ATOM 1040 N ND1 . HIS 62 62 ? A 5.597 7.955 -5.716 1.000 1 A 58.750 1
ATOM 1041 C CD2 . HIS 62 62 ? A 7.022 9.203 -6.854 1.000 1 A 58.750 1
ATOM 1042 C CE1 . HIS 62 62 ? A 5.236 9.240 -5.589 1.000 1 A 58.750 1
ATOM 1043 N NE2 . HIS 62 62 ? A 6.091 10.043 -6.232 1.000 1 A 58.750 1
ATOM 1044 H H . HIS 62 62 ? A 8.013 4.565 -8.334 1.000 1 A 58.750 1
ATOM 1045 H HA . HIS 62 62 ? A 5.535 5.513 -7.260 1.000 1 A 58.750 1
ATOM 1046 H HB2 . HIS 62 62 ? A 7.677 6.039 -6.246 1.000 1 A 58.750 1
ATOM 1047 H HB3 . HIS 62 62 ? A 8.185 6.926 -7.694 1.000 1 A 58.750 1
ATOM 1048 H HD1 . HIS 62 62 ? A 5.081 7.151 -5.389 1.000 1 A 58.750 1
ATOM 1049 H HD2 . HIS 62 62 ? A 7.816 9.512 -7.517 1.000 1 A 58.750 1
ATOM 1050 H HE1 . HIS 62 62 ? A 4.352 9.589 -5.075 1.000 1 A 58.750 1
ATOM 1051 N N . THR 63 63 ? A 6.410 6.911 -10.127 1.000 1 A 62.710 1
ATOM 1052 C CA . THR 63 63 ? A 5.851 7.656 -11.259 1.000 1 A 62.710 1
ATOM 1053 C C . THR 63 63 ? A 4.788 6.838 -11.980 1.000 1 A 62.710 1
ATOM 1054 O O . THR 63 63 ? A 3.760 7.385 -12.355 1.000 1 A 62.710 1
ATOM 1055 C CB . THR 63 63 ? A 6.942 8.093 -12.242 1.000 1 A 62.710 1
ATOM 1056 O OG1 . THR 63 63 ? A 7.707 6.988 -12.648 1.000 1 A 62.710 1
ATOM 1057 C CG2 . THR 63 63 ? A 7.895 9.109 -11.611 1.000 1 A 62.710 1
ATOM 1058 H H . THR 63 63 ? A 7.320 6.490 -10.241 1.000 1 A 62.710 1
ATOM 1059 H HA . THR 63 63 ? A 5.359 8.556 -10.889 1.000 1 A 62.710 1
ATOM 1060 H HB . THR 63 63 ? A 6.475 8.548 -13.116 1.000 1 A 62.710 1
ATOM 1061 H HG1 . THR 63 63 ? A 8.349 7.283 -13.298 1.000 1 A 62.710 1
ATOM 1062 H HG21 . THR 63 63 ? A 8.417 8.664 -10.764 1.000 1 A 62.710 1
ATOM 1063 H HG22 . THR 63 63 ? A 8.627 9.430 -12.351 1.000 1 A 62.710 1
ATOM 1064 H HG23 . THR 63 63 ? A 7.331 9.977 -11.271 1.000 1 A 62.710 1
ATOM 1065 N N . ALA 64 64 ? A 4.970 5.524 -12.103 1.000 1 A 62.970 1
ATOM 1066 C CA . ALA 64 64 ? A 4.081 4.686 -12.894 1.000 1 A 62.970 1
ATOM 1067 C C . ALA 64 64 ? A 2.801 4.246 -12.171 1.000 1 A 62.970 1
ATOM 1068 O O . ALA 64 64 ? A 1.820 3.946 -12.844 1.000 1 A 62.970 1
ATOM 1069 C CB . ALA 64 64 ? A 4.885 3.476 -13.371 1.000 1 A 62.970 1
ATOM 1070 H H . ALA 64 64 ? A 5.872 5.142 -11.854 1.000 1 A 62.970 1
ATOM 1071 H HA . ALA 64 64 ? A 3.773 5.245 -13.777 1.000 1 A 62.970 1
ATOM 1072 H HB1 . ALA 64 64 ? A 4.272 2.862 -14.030 1.000 1 A 62.970 1
ATOM 1073 H HB2 . ALA 64 64 ? A 5.762 3.809 -13.926 1.000 1 A 62.970 1
ATOM 1074 H HB3 . ALA 64 64 ? A 5.198 2.873 -12.518 1.000 1 A 62.970 1
ATOM 1075 N N . TRP 65 65 ? A 2.751 4.170 -10.833 1.000 1 A 63.640 1
ATOM 1076 C CA . TRP 65 65 ? A 1.675 3.406 -10.172 1.000 1 A 63.640 1
ATOM 1077 C C . TRP 65 65 ? A 0.256 3.914 -10.431 1.000 1 A 63.640 1
ATOM 1078 O O . TRP 65 65 ? A -0.700 3.142 -10.371 1.000 1 A 63.640 1
ATOM 1079 C CB . TRP 65 65 ? A 1.885 3.295 -8.660 1.000 1 A 63.640 1
ATOM 1080 C CG . TRP 65 65 ? A 1.512 4.528 -7.894 1.000 1 A 63.640 1
ATOM 1081 C CD1 . TRP 65 65 ? A 2.345 5.547 -7.618 1.000 1 A 63.640 1
ATOM 1082 C CD2 . TRP 65 65 ? A 0.210 4.926 -7.364 1.000 1 A 63.640 1
ATOM 1083 N NE1 . TRP 65 65 ? A 1.658 6.564 -6.985 1.000 1 A 63.640 1
ATOM 1084 C CE2 . TRP 65 65 ? A 0.339 6.219 -6.773 1.000 1 A 63.640 1
ATOM 1085 C CE3 . TRP 65 65 ? A -1.070 4.330 -7.341 1.000 1 A 63.640 1
ATOM 1086 C CZ2 . TRP 65 65 ? A -0.742 6.872 -6.163 1.000 1 A 63.640 1
ATOM 1087 C CZ3 . TRP 65 65 ? A -2.160 4.974 -6.726 1.000 1 A 63.640 1
ATOM 1088 C CH2 . TRP 65 65 ? A -1.996 6.238 -6.131 1.000 1 A 63.640 1
ATOM 1089 H H . TRP 65 65 ? A 3.600 4.350 -10.316 1.000 1 A 63.640 1
ATOM 1090 H HA . TRP 65 65 ? A 1.703 2.401 -10.593 1.000 1 A 63.640 1
ATOM 1091 H HB2 . TRP 65 65 ? A 2.915 3.016 -8.440 1.000 1 A 63.640 1
ATOM 1092 H HB3 . TRP 65 65 ? A 1.257 2.478 -8.304 1.000 1 A 63.640 1
ATOM 1093 H HD1 . TRP 65 65 ? A 3.386 5.551 -7.905 1.000 1 A 63.640 1
ATOM 1094 H HE1 . TRP 65 65 ? A 2.078 7.459 -6.781 1.000 1 A 63.640 1
ATOM 1095 H HE3 . TRP 65 65 ? A -1.201 3.365 -7.807 1.000 1 A 63.640 1
ATOM 1096 H HZ2 . TRP 65 65 ? A -0.609 7.851 -5.725 1.000 1 A 63.640 1
ATOM 1097 H HZ3 . TRP 65 65 ? A -3.130 4.498 -6.711 1.000 1 A 63.640 1
ATOM 1098 H HH2 . TRP 65 65 ? A -2.835 6.727 -5.659 1.000 1 A 63.640 1
ATOM 1099 N N . HIS 66 66 ? A 0.095 5.210 -10.689 1.000 1 A 65.190 1
ATOM 1100 C CA . HIS 66 66 ? A -1.210 5.779 -10.992 1.000 1 A 65.190 1
ATOM 1101 C C . HIS 66 66 ? A -1.603 5.570 -12.459 1.000 1 A 65.190 1
ATOM 1102 O O . HIS 66 66 ? A -2.798 5.518 -12.742 1.000 1 A 65.190 1
ATOM 1103 C CB . HIS 66 66 ? A -1.249 7.247 -10.565 1.000 1 A 65.190 1
ATOM 1104 C CG . HIS 66 66 ? A -0.263 8.132 -11.279 1.000 1 A 65.190 1
ATOM 1105 N ND1 . HIS 66 66 ? A 1.076 8.278 -10.986 1.000 1 A 65.190 1
ATOM 1106 C CD2 . HIS 66 66 ? A -0.547 8.993 -12.305 1.000 1 A 65.190 1
ATOM 1107 C CE1 . HIS 66 66 ? A 1.580 9.202 -11.819 1.000 1 A 65.190 1
ATOM 1108 N NE2 . HIS 66 66 ? A 0.619 9.690 -12.611 1.000 1 A 65.190 1
ATOM 1109 H H . HIS 66 66 ? A 0.919 5.787 -10.780 1.000 1 A 65.190 1
ATOM 1110 H HA . HIS 66 66 ? A -1.957 5.260 -10.392 1.000 1 A 65.190 1
ATOM 1111 H HB2 . HIS 66 66 ? A -2.254 7.634 -10.737 1.000 1 A 65.190 1
ATOM 1112 H HB3 . HIS 66 66 ? A -1.053 7.306 -9.494 1.000 1 A 65.190 1
ATOM 1113 H HD1 . HIS 66 66 ? A 1.630 7.762 -10.316 1.000 1 A 65.190 1
ATOM 1114 H HD2 . HIS 66 66 ? A -1.507 9.137 -12.777 1.000 1 A 65.190 1
ATOM 1115 H HE1 . HIS 66 66 ? A 2.613 9.513 -11.858 1.000 1 A 65.190 1
ATOM 1116 N N . GLU 67 67 ? A -0.645 5.396 -13.369 1.000 1 A 65.240 1
ATOM 1117 C CA . GLU 67 67 ? A -0.878 5.196 -14.806 1.000 1 A 65.240 1
ATOM 1118 C C . GLU 67 67 ? A -0.915 3.713 -15.200 1.000 1 A 65.240 1
ATOM 1119 O O . GLU 67 67 ? A -1.661 3.342 -16.102 1.000 1 A 65.240 1
ATOM 1120 C CB . GLU 67 67 ? A 0.193 5.936 -15.622 1.000 1 A 65.240 1
ATOM 1121 C CG . GLU 67 67 ? A 0.256 7.435 -15.284 1.000 1 A 65.240 1
ATOM 1122 C CD . GLU 67 67 ? A 1.090 8.255 -16.280 1.000 1 A 65.240 1
ATOM 1123 O OE1 . GLU 67 67 ? A 0.845 9.480 -16.362 1.000 1 A 65.240 1
ATOM 1124 O OE2 . GLU 67 67 ? A 1.936 7.655 -16.981 1.000 1 A 65.240 1
ATOM 1125 H H . GLU 67 67 ? A 0.320 5.408 -13.070 1.000 1 A 65.240 1
ATOM 1126 H HA . GLU 67 67 ? A -1.843 5.621 -15.082 1.000 1 A 65.240 1
ATOM 1127 H HB2 . GLU 67 67 ? A 1.167 5.483 -15.435 1.000 1 A 65.240 1
ATOM 1128 H HB3 . GLU 67 67 ? A -0.051 5.821 -16.678 1.000 1 A 65.240 1
ATOM 1129 H HG2 . GLU 67 67 ? A -0.760 7.828 -15.255 1.000 1 A 65.240 1
ATOM 1130 H HG3 . GLU 67 67 ? A 0.696 7.537 -14.293 1.000 1 A 65.240 1
ATOM 1131 N N . VAL 68 68 ? A -0.168 2.862 -14.491 1.000 1 A 66.180 1
ATOM 1132 C CA . VAL 68 68 ? A -0.023 1.425 -14.759 1.000 1 A 66.180 1
ATOM 1133 C C . VAL 68 68 ? A -1.001 0.626 -13.885 1.000 1 A 66.180 1
ATOM 1134 O O . VAL 68 68 ? A -0.842 0.604 -12.655 1.000 1 A 66.180 1
ATOM 1135 C CB . VAL 68 68 ? A 1.439 0.980 -14.566 1.000 1 A 66.180 1
ATOM 1136 C CG1 . VAL 68 68 ? A 1.625 -0.517 -14.829 1.000 1 A 66.180 1
ATOM 1137 C CG2 . VAL 68 68 ? A 2.352 1.721 -15.551 1.000 1 A 66.180 1
ATOM 1138 H H . VAL 68 68 ? A 0.433 3.258 -13.782 1.000 1 A 66.180 1
ATOM 1139 H HA . VAL 68 68 ? A -0.242 1.249 -15.812 1.000 1 A 66.180 1
ATOM 1140 H HB . VAL 68 68 ? A 1.762 1.203 -13.549 1.000 1 A 66.180 1
ATOM 1141 H HG11 . VAL 68 68 ? A 1.038 -1.107 -14.125 1.000 1 A 66.180 1
ATOM 1142 H HG12 . VAL 68 68 ? A 1.306 -0.767 -15.840 1.000 1 A 66.180 1
ATOM 1143 H HG13 . VAL 68 68 ? A 2.672 -0.796 -14.712 1.000 1 A 66.180 1
ATOM 1144 H HG21 . VAL 68 68 ? A 2.341 2.793 -15.353 1.000 1 A 66.180 1
ATOM 1145 H HG22 . VAL 68 68 ? A 2.011 1.552 -16.572 1.000 1 A 66.180 1
ATOM 1146 H HG23 . VAL 68 68 ? A 3.374 1.353 -15.464 1.000 1 A 66.180 1
ATOM 1147 N N . PRO 69 69 ? A -2.024 -0.027 -14.475 1.000 1 A 68.750 1
ATOM 1148 C CA . PRO 69 69 ? A -3.026 -0.802 -13.739 1.000 1 A 68.750 1
ATOM 1149 C C . PRO 69 69 ? A -2.434 -1.859 -12.801 1.000 1 A 68.750 1
ATOM 1150 O O . PRO 69 69 ? A -2.906 -2.003 -11.676 1.000 1 A 68.750 1
ATOM 1151 C CB . PRO 69 69 ? A -3.899 -1.461 -14.814 1.000 1 A 68.750 1
ATOM 1152 C CG . PRO 69 69 ? A -3.792 -0.503 -15.996 1.000 1 A 68.750 1
ATOM 1153 C CD . PRO 69 69 ? A -2.352 -0.019 -15.897 1.000 1 A 68.750 1
ATOM 1154 H HA . PRO 69 69 ? A -3.634 -0.114 -13.152 1.000 1 A 68.750 1
ATOM 1155 H HB2 . PRO 69 69 ? A -4.930 -1.580 -14.480 1.000 1 A 68.750 1
ATOM 1156 H HB3 . PRO 69 69 ? A -3.481 -2.425 -15.102 1.000 1 A 68.750 1
ATOM 1157 H HG2 . PRO 69 69 ? A -4.473 0.337 -15.856 1.000 1 A 68.750 1
ATOM 1158 H HG3 . PRO 69 69 ? A -3.983 -1.006 -16.944 1.000 1 A 68.750 1
ATOM 1159 H HD2 . PRO 69 69 ? A -1.694 -0.708 -16.426 1.000 1 A 68.750 1
ATOM 1160 H HD3 . PRO 69 69 ? A -2.277 0.977 -16.334 1.000 1 A 68.750 1
ATOM 1161 N N . GLU 70 70 ? A -1.373 -2.537 -13.224 1.000 1 A 60.460 1
ATOM 1162 C CA . GLU 70 70 ? A -0.689 -3.607 -12.497 1.000 1 A 60.460 1
ATOM 1163 C C . GLU 70 70 ? A -0.023 -3.071 -11.222 1.000 1 A 60.460 1
ATOM 1164 O O . GLU 70 70 ? A -0.193 -3.620 -10.133 1.000 1 A 60.460 1
ATOM 1165 C CB . GLU 70 70 ? A 0.369 -4.263 -13.411 1.000 1 A 60.460 1
ATOM 1166 C CG . GLU 70 70 ? A -0.178 -4.959 -14.676 1.000 1 A 60.460 1
ATOM 1167 C CD . GLU 70 70 ? A -0.543 -4.035 -15.859 1.000 1 A 60.460 1
ATOM 1168 O OE1 . GLU 70 70 ? A -1.019 -4.570 -16.882 1.000 1 A 60.460 1
ATOM 1169 O OE2 . GLU 70 70 ? A -0.419 -2.792 -15.730 1.000 1 A 60.460 1
ATOM 1170 H H . GLU 70 70 ? A -1.069 -2.383 -14.175 1.000 1 A 60.460 1
ATOM 1171 H HA . GLU 70 70 ? A -1.413 -4.367 -12.203 1.000 1 A 60.460 1
ATOM 1172 H HB2 . GLU 70 70 ? A 1.124 -3.530 -13.694 1.000 1 A 60.460 1
ATOM 1173 H HB3 . GLU 70 70 ? A 0.875 -5.025 -12.818 1.000 1 A 60.460 1
ATOM 1174 H HG2 . GLU 70 70 ? A 0.587 -5.655 -15.018 1.000 1 A 60.460 1
ATOM 1175 H HG3 . GLU 70 70 ? A -1.049 -5.549 -14.394 1.000 1 A 60.460 1
ATOM 1176 N N . CYS 71 71 ? A 0.669 -1.932 -11.323 1.000 1 A 63.140 1
ATOM 1177 C CA . CYS 71 71 ? A 1.266 -1.248 -10.177 1.000 1 A 63.140 1
ATOM 1178 C C . CYS 71 71 ? A 0.191 -0.752 -9.197 1.000 1 A 63.140 1
ATOM 1179 O O . CYS 71 71 ? A 0.346 -0.863 -7.978 1.000 1 A 63.140 1
ATOM 1180 C CB . CYS 71 71 ? A 2.105 -0.077 -10.695 1.000 1 A 63.140 1
ATOM 1181 S SG . CYS 71 71 ? A 3.540 -0.652 -11.640 1.000 1 A 63.140 1
ATOM 1182 H H . CYS 71 71 ? A 0.777 -1.525 -12.242 1.000 1 A 63.140 1
ATOM 1183 H HA . CYS 71 71 ? A 1.914 -1.940 -9.640 1.000 1 A 63.140 1
ATOM 1184 H HB2 . CYS 71 71 ? A 2.462 0.509 -9.848 1.000 1 A 63.140 1
ATOM 1185 H HB3 . CYS 71 71 ? A 1.479 0.537 -11.343 1.000 1 A 63.140 1
ATOM 1186 H HG . CYS 71 71 ? A 3.986 0.544 -12.035 1.000 1 A 63.140 1
ATOM 1187 N N . ARG 72 72 ? A -0.936 -0.240 -9.709 1.000 1 A 71.710 1
ATOM 1188 C CA . ARG 72 72 ? A -2.077 0.165 -8.877 1.000 1 A 71.710 1
ATOM 1189 C C . ARG 72 72 ? A -2.678 -1.022 -8.130 1.000 1 A 71.710 1
ATOM 1190 O O . ARG 72 72 ? A -2.940 -0.928 -6.929 1.000 1 A 71.710 1
ATOM 1191 C CB . ARG 72 72 ? A -3.130 0.830 -9.769 1.000 1 A 71.710 1
ATOM 1192 C CG . ARG 72 72 ? A -4.254 1.469 -8.946 1.000 1 A 71.710 1
ATOM 1193 C CD . ARG 72 72 ? A -5.389 1.918 -9.865 1.000 1 A 71.710 1
ATOM 1194 N NE . ARG 72 72 ? A -4.973 2.996 -10.782 1.000 1 A 71.710 1
ATOM 1195 C CZ . ARG 72 72 ? A -5.735 3.554 -11.705 1.000 1 A 71.710 1
ATOM 1196 N NH1 . ARG 72 72 ? A -6.973 3.188 -11.885 1.000 1 A 71.710 1
ATOM 1197 N NH2 . ARG 72 72 ? A -5.287 4.486 -12.485 1.000 1 A 71.710 1
ATOM 1198 H H . ARG 72 72 ? A -1.000 -0.155 -10.713 1.000 1 A 71.710 1
ATOM 1199 H HA . ARG 72 72 ? A -1.723 0.878 -8.133 1.000 1 A 71.710 1
ATOM 1200 H HB2 . ARG 72 72 ? A -3.559 0.085 -10.440 1.000 1 A 71.710 1
ATOM 1201 H HB3 . ARG 72 72 ? A -2.654 1.593 -10.385 1.000 1 A 71.710 1
ATOM 1202 H HG2 . ARG 72 72 ? A -4.662 0.744 -8.242 1.000 1 A 71.710 1
ATOM 1203 H HG3 . ARG 72 72 ? A -3.863 2.320 -8.389 1.000 1 A 71.710 1
ATOM 1204 H HD2 . ARG 72 72 ? A -6.217 2.265 -9.247 1.000 1 A 71.710 1
ATOM 1205 H HD3 . ARG 72 72 ? A -5.726 1.057 -10.442 1.000 1 A 71.710 1
ATOM 1206 H HE . ARG 72 72 ? A -4.001 3.270 -10.773 1.000 1 A 71.710 1
ATOM 1207 H HH11 . ARG 72 72 ? A -7.312 2.388 -11.369 1.000 1 A 71.710 1
ATOM 1208 H HH12 . ARG 72 72 ? A -7.496 3.579 -12.655 1.000 1 A 71.710 1
ATOM 1209 H HH21 . ARG 72 72 ? A -5.829 4.851 -13.255 1.000 1 A 71.710 1
ATOM 1210 H HH22 . ARG 72 72 ? A -4.316 4.764 -12.452 1.000 1 A 71.710 1
ATOM 1211 N N . GLU 73 73 ? A -2.920 -2.123 -8.834 1.000 1 A 70.200 1
ATOM 1212 C CA . GLU 73 73 ? A -3.471 -3.351 -8.268 1.000 1 A 70.200 1
ATOM 1213 C C . GLU 73 73 ? A -2.543 -3.941 -7.207 1.000 1 A 70.200 1
ATOM 1214 O O . GLU 73 73 ? A -3.007 -4.348 -6.142 1.000 1 A 70.200 1
ATOM 1215 C CB . GLU 73 73 ? A -3.772 -4.341 -9.398 1.000 1 A 70.200 1
ATOM 1216 C CG . GLU 73 73 ? A -4.383 -5.629 -8.831 1.000 1 A 70.200 1
ATOM 1217 C CD . GLU 73 73 ? A -5.098 -6.494 -9.872 1.000 1 A 70.200 1
ATOM 1218 O OE1 . GLU 73 73 ? A -5.858 -7.373 -9.402 1.000 1 A 70.200 1
ATOM 1219 O OE2 . GLU 73 73 ? A -4.956 -6.228 -11.083 1.000 1 A 70.200 1
ATOM 1220 H H . GLU 73 73 ? A -2.689 -2.126 -9.817 1.000 1 A 70.200 1
ATOM 1221 H HA . GLU 73 73 ? A -4.414 -3.117 -7.772 1.000 1 A 70.200 1
ATOM 1222 H HB2 . GLU 73 73 ? A -4.487 -3.868 -10.071 1.000 1 A 70.200 1
ATOM 1223 H HB3 . GLU 73 73 ? A -2.861 -4.576 -9.949 1.000 1 A 70.200 1
ATOM 1224 H HG2 . GLU 73 73 ? A -5.103 -5.358 -8.059 1.000 1 A 70.200 1
ATOM 1225 H HG3 . GLU 73 73 ? A -3.591 -6.214 -8.363 1.000 1 A 70.200 1
ATOM 1226 N N . PHE 74 74 ? A -1.233 -3.868 -7.426 1.000 1 A 66.790 1
ATOM 1227 C CA . PHE 74 74 ? A -0.238 -4.249 -6.436 1.000 1 A 66.790 1
ATOM 1228 C C . PHE 74 74 ? A -0.301 -3.436 -5.162 1.000 1 A 66.790 1
ATOM 1229 O O . PHE 74 74 ? A -0.364 -4.036 -4.091 1.000 1 A 66.790 1
ATOM 1230 C CB . PHE 74 74 ? A 1.120 -4.127 -7.076 1.000 1 A 66.790 1
ATOM 1231 C CG . PHE 74 74 ? A 2.294 -4.415 -6.171 1.000 1 A 66.790 1
ATOM 1232 C CD1 . PHE 74 74 ? A 2.921 -3.365 -5.480 1.000 1 A 66.790 1
ATOM 1233 C CD2 . PHE 74 74 ? A 2.811 -5.719 -6.083 1.000 1 A 66.790 1
ATOM 1234 C CE1 . PHE 74 74 ? A 4.118 -3.601 -4.793 1.000 1 A 66.790 1
ATOM 1235 C CE2 . PHE 74 74 ? A 4.023 -5.950 -5.425 1.000 1 A 66.790 1
ATOM 1236 C CZ . PHE 74 74 ? A 4.694 -4.883 -4.813 1.000 1 A 66.790 1
ATOM 1237 H H . PHE 74 74 ? A -0.913 -3.602 -8.346 1.000 1 A 66.790 1
ATOM 1238 H HA . PHE 74 74 ? A -0.391 -5.288 -6.146 1.000 1 A 66.790 1
ATOM 1239 H HB2 . PHE 74 74 ? A 1.249 -3.133 -7.504 1.000 1 A 66.790 1
ATOM 1240 H HB3 . PHE 74 74 ? A 1.099 -4.846 -7.895 1.000 1 A 66.790 1
ATOM 1241 H HD1 . PHE 74 74 ? A 2.507 -2.368 -5.505 1.000 1 A 66.790 1
ATOM 1242 H HD2 . PHE 74 74 ? A 2.320 -6.541 -6.583 1.000 1 A 66.790 1
ATOM 1243 H HE1 . PHE 74 74 ? A 4.611 -2.780 -4.294 1.000 1 A 66.790 1
ATOM 1244 H HE2 . PHE 74 74 ? A 4.446 -6.943 -5.396 1.000 1 A 66.790 1
ATOM 1245 H HZ . PHE 74 74 ? A 5.647 -5.076 -4.342 1.000 1 A 66.790 1
ATOM 1246 N N . ILE 75 75 ? A -0.355 -2.101 -5.238 1.000 1 A 69.830 1
ATOM 1247 C CA . ILE 75 75 ? A -0.519 -1.291 -4.026 1.000 1 A 69.830 1
ATOM 1248 C C . ILE 75 75 ? A -1.817 -1.693 -3.320 1.000 1 A 69.830 1
ATOM 1249 O O . ILE 75 75 ? A -1.817 -1.911 -2.114 1.000 1 A 69.830 1
ATOM 1250 C CB . ILE 75 75 ? A -0.482 0.224 -4.317 1.000 1 A 69.830 1
ATOM 1251 C CG1 . ILE 75 75 ? A 0.875 0.650 -4.914 1.000 1 A 69.830 1
ATOM 1252 C CG2 . ILE 75 75 ? A -0.737 0.994 -3.005 1.000 1 A 69.830 1
ATOM 1253 C CD1 . ILE 75 75 ? A 0.867 2.101 -5.409 1.000 1 A 69.830 1
ATOM 1254 H H . ILE 75 75 ? A -0.283 -1.660 -6.144 1.000 1 A 69.830 1
ATOM 1255 H HA . ILE 75 75 ? A 0.302 -1.525 -3.348 1.000 1 A 69.830 1
ATOM 1256 H HB . ILE 75 75 ? A -1.272 0.466 -5.028 1.000 1 A 69.830 1
ATOM 1257 H HG12 . ILE 75 75 ? A 1.663 0.517 -4.173 1.000 1 A 69.830 1
ATOM 1258 H HG13 . ILE 75 75 ? A 1.115 0.014 -5.766 1.000 1 A 69.830 1
ATOM 1259 H HG21 . ILE 75 75 ? A -0.044 0.659 -2.234 1.000 1 A 69.830 1
ATOM 1260 H HG22 . ILE 75 75 ? A -0.607 2.068 -3.141 1.000 1 A 69.830 1
ATOM 1261 H HG23 . ILE 75 75 ? A -1.761 0.834 -2.666 1.000 1 A 69.830 1
ATOM 1262 H HD11 . ILE 75 75 ? A 0.816 2.805 -4.579 1.000 1 A 69.830 1
ATOM 1263 H HD12 . ILE 75 75 ? A 1.778 2.319 -5.966 1.000 1 A 69.830 1
ATOM 1264 H HD13 . ILE 75 75 ? A 0.011 2.243 -6.069 1.000 1 A 69.830 1
ATOM 1265 N N . LEU 76 76 ? A -2.924 -1.867 -4.047 1.000 1 A 71.900 1
ATOM 1266 C CA . LEU 76 76 ? A -4.195 -2.269 -3.441 1.000 1 A 71.900 1
ATOM 1267 C C . LEU 76 76 ? A -4.116 -3.641 -2.757 1.000 1 A 71.900 1
ATOM 1268 O O . LEU 76 76 ? A -4.567 -3.771 -1.619 1.000 1 A 71.900 1
ATOM 1269 C CB . LEU 76 76 ? A -5.309 -2.246 -4.501 1.000 1 A 71.900 1
ATOM 1270 C CG . LEU 76 76 ? A -5.690 -0.837 -4.985 1.000 1 A 71.900 1
ATOM 1271 C CD1 . LEU 76 76 ? A -6.662 -0.945 -6.160 1.000 1 A 71.900 1
ATOM 1272 C CD2 . LEU 76 76 ? A -6.379 -0.028 -3.883 1.000 1 A 71.900 1
ATOM 1273 H H . LEU 76 76 ? A -2.866 -1.736 -5.047 1.000 1 A 71.900 1
ATOM 1274 H HA . LEU 76 76 ? A -4.433 -1.560 -2.649 1.000 1 A 71.900 1
ATOM 1275 H HB2 . LEU 76 76 ? A -6.197 -2.722 -4.087 1.000 1 A 71.900 1
ATOM 1276 H HB3 . LEU 76 76 ? A -4.987 -2.839 -5.357 1.000 1 A 71.900 1
ATOM 1277 H HG . LEU 76 76 ? A -4.804 -0.290 -5.310 1.000 1 A 71.900 1
ATOM 1278 H HD11 . LEU 76 76 ? A -7.562 -1.483 -5.863 1.000 1 A 71.900 1
ATOM 1279 H HD12 . LEU 76 76 ? A -6.922 0.052 -6.516 1.000 1 A 71.900 1
ATOM 1280 H HD13 . LEU 76 76 ? A -6.175 -1.481 -6.975 1.000 1 A 71.900 1
ATOM 1281 H HD21 . LEU 76 76 ? A -7.265 -0.554 -3.528 1.000 1 A 71.900 1
ATOM 1282 H HD22 . LEU 76 76 ? A -5.686 0.121 -3.055 1.000 1 A 71.900 1
ATOM 1283 H HD23 . LEU 76 76 ? A -6.660 0.951 -4.270 1.000 1 A 71.900 1
ATOM 1284 N N . ASN 77 77 ? A -3.546 -4.652 -3.410 1.000 1 A 65.620 1
ATOM 1285 C CA . ASN 77 77 ? A -3.397 -6.002 -2.863 1.000 1 A 65.620 1
ATOM 1286 C C . ASN 77 77 ? A -2.423 -6.039 -1.686 1.000 1 A 65.620 1
ATOM 1287 O O . ASN 77 77 ? A -2.710 -6.675 -0.672 1.000 1 A 65.620 1
ATOM 1288 C CB . ASN 77 77 ? A -2.999 -6.966 -3.994 1.000 1 A 65.620 1
ATOM 1289 C CG . ASN 77 77 ? A -4.163 -7.279 -4.921 1.000 1 A 65.620 1
ATOM 1290 O OD1 . ASN 77 77 ? A -5.329 -7.081 -4.572 1.000 1 A 65.620 1
ATOM 1291 N ND2 . ASN 77 77 ? A -3.882 -7.805 -6.090 1.000 1 A 65.620 1
ATOM 1292 H H . ASN 77 77 ? A -3.200 -4.482 -4.343 1.000 1 A 65.620 1
ATOM 1293 H HA . ASN 77 77 ? A -4.352 -6.336 -2.457 1.000 1 A 65.620 1
ATOM 1294 H HB2 . ASN 77 77 ? A -2.179 -6.543 -4.575 1.000 1 A 65.620 1
ATOM 1295 H HB3 . ASN 77 77 ? A -2.657 -7.911 -3.572 1.000 1 A 65.620 1
ATOM 1296 H HD21 . ASN 77 77 ? A -4.617 -7.945 -6.768 1.000 1 A 65.620 1
ATOM 1297 H HD22 . ASN 77 77 ? A -2.933 -8.027 -6.356 1.000 1 A 65.620 1
ATOM 1298 N N . PHE 78 78 ? A -1.336 -5.281 -1.769 1.000 1 A 66.610 1
ATOM 1299 C CA . PHE 78 78 ? A -0.398 -5.097 -0.676 1.000 1 A 66.610 1
ATOM 1300 C C . PHE 78 78 ? A -1.069 -4.467 0.546 1.000 1 A 66.610 1
ATOM 1301 O O . PHE 78 78 ? A -1.011 -5.013 1.649 1.000 1 A 66.610 1
ATOM 1302 C CB . PHE 78 78 ? A 0.748 -4.220 -1.173 1.000 1 A 66.610 1
ATOM 1303 C CG . PHE 78 78 ? A 1.802 -4.058 -0.115 1.000 1 A 66.610 1
ATOM 1304 C CD1 . PHE 78 78 ? A 1.934 -2.826 0.541 1.000 1 A 66.610 1
ATOM 1305 C CD2 . PHE 78 78 ? A 2.506 -5.186 0.341 1.000 1 A 66.610 1
ATOM 1306 C CE1 . PHE 78 78 ? A 2.718 -2.770 1.697 1.000 1 A 66.610 1
ATOM 1307 C CE2 . PHE 78 78 ? A 3.354 -5.100 1.445 1.000 1 A 66.610 1
ATOM 1308 C CZ . PHE 78 78 ? A 3.401 -3.896 2.144 1.000 1 A 66.610 1
ATOM 1309 H H . PHE 78 78 ? A -1.141 -4.803 -2.638 1.000 1 A 66.610 1
ATOM 1310 H HA . PHE 78 78 ? A -0.004 -6.070 -0.382 1.000 1 A 66.610 1
ATOM 1311 H HB2 . PHE 78 78 ? A 1.180 -4.677 -2.063 1.000 1 A 66.610 1
ATOM 1312 H HB3 . PHE 78 78 ? A 0.370 -3.240 -1.465 1.000 1 A 66.610 1
ATOM 1313 H HD1 . PHE 78 78 ? A 1.365 -1.964 0.226 1.000 1 A 66.610 1
ATOM 1314 H HD2 . PHE 78 78 ? A 2.346 -6.155 -0.108 1.000 1 A 66.610 1
ATOM 1315 H HE1 . PHE 78 78 ? A 2.710 -1.900 2.336 1.000 1 A 66.610 1
ATOM 1316 H HE2 . PHE 78 78 ? A 3.870 -5.976 1.810 1.000 1 A 66.610 1
ATOM 1317 H HZ . PHE 78 78 ? A 3.868 -3.858 3.117 1.000 1 A 66.610 1
ATOM 1318 N N . LEU 79 79 ? A -1.791 -3.359 0.350 1.000 1 A 66.980 1
ATOM 1319 C CA . LEU 79 79 ? A -2.536 -2.693 1.415 1.000 1 A 66.980 1
ATOM 1320 C C . LEU 79 79 ? A -3.607 -3.607 2.017 1.000 1 A 66.980 1
ATOM 1321 O O . LEU 79 79 ? A -3.804 -3.594 3.233 1.000 1 A 66.980 1
ATOM 1322 C CB . LEU 79 79 ? A -3.149 -1.384 0.898 1.000 1 A 66.980 1
ATOM 1323 C CG . LEU 79 79 ? A -2.152 -0.269 0.533 1.000 1 A 66.980 1
ATOM 1324 C CD1 . LEU 79 79 ? A -2.936 0.933 0.008 1.000 1 A 66.980 1
ATOM 1325 C CD2 . LEU 79 79 ? A -1.267 0.127 1.704 1.000 1 A 66.980 1
ATOM 1326 H H . LEU 79 79 ? A -1.796 -2.955 -0.576 1.000 1 A 66.980 1
ATOM 1327 H HA . LEU 79 79 ? A -1.849 -2.450 2.225 1.000 1 A 66.980 1
ATOM 1328 H HB2 . LEU 79 79 ? A -3.767 -1.607 0.028 1.000 1 A 66.980 1
ATOM 1329 H HB3 . LEU 79 79 ? A -3.792 -0.985 1.682 1.000 1 A 66.980 1
ATOM 1330 H HG . LEU 79 79 ? A -1.467 -0.594 -0.250 1.000 1 A 66.980 1
ATOM 1331 H HD11 . LEU 79 79 ? A -3.575 0.617 -0.817 1.000 1 A 66.980 1
ATOM 1332 H HD12 . LEU 79 79 ? A -3.543 1.376 0.797 1.000 1 A 66.980 1
ATOM 1333 H HD13 . LEU 79 79 ? A -2.244 1.677 -0.389 1.000 1 A 66.980 1
ATOM 1334 H HD21 . LEU 79 79 ? A -1.847 0.299 2.611 1.000 1 A 66.980 1
ATOM 1335 H HD22 . LEU 79 79 ? A -0.689 1.015 1.446 1.000 1 A 66.980 1
ATOM 1336 H HD23 . LEU 79 79 ? A -0.530 -0.662 1.850 1.000 1 A 66.980 1
ATOM 1337 N N . ARG 80 80 ? A -4.274 -4.437 1.206 1.000 1 A 65.440 1
ATOM 1338 C CA . ARG 80 80 ? A -5.208 -5.466 1.691 1.000 1 A 65.440 1
ATOM 1339 C C . ARG 80 80 ? A -4.495 -6.509 2.557 1.000 1 A 65.440 1
ATOM 1340 O O . ARG 80 80 ? A -4.978 -6.793 3.649 1.000 1 A 65.440 1
ATOM 1341 C CB . ARG 80 80 ? A -5.927 -6.132 0.509 1.000 1 A 65.440 1
ATOM 1342 C CG . ARG 80 80 ? A -6.946 -5.230 -0.200 1.000 1 A 65.440 1
ATOM 1343 C CD . ARG 80 80 ? A -7.281 -5.776 -1.591 1.000 1 A 65.440 1
ATOM 1344 N NE . ARG 80 80 ? A -8.124 -4.850 -2.368 1.000 1 A 65.440 1
ATOM 1345 C CZ . ARG 80 80 ? A -8.393 -4.963 -3.656 1.000 1 A 65.440 1
ATOM 1346 N NH1 . ARG 80 80 ? A -7.901 -5.899 -4.420 1.000 1 A 65.440 1
ATOM 1347 N NH2 . ARG 80 80 ? A -9.174 -4.079 -4.205 1.000 1 A 65.440 1
ATOM 1348 H H . ARG 80 80 ? A -4.080 -4.380 0.216 1.000 1 A 65.440 1
ATOM 1349 H HA . ARG 80 80 ? A -5.955 -5.006 2.338 1.000 1 A 65.440 1
ATOM 1350 H HB2 . ARG 80 80 ? A -6.471 -6.997 0.888 1.000 1 A 65.440 1
ATOM 1351 H HB3 . ARG 80 80 ? A -5.185 -6.487 -0.206 1.000 1 A 65.440 1
ATOM 1352 H HG2 . ARG 80 80 ? A -7.861 -5.186 0.390 1.000 1 A 65.440 1
ATOM 1353 H HG3 . ARG 80 80 ? A -6.546 -4.220 -0.296 1.000 1 A 65.440 1
ATOM 1354 H HD2 . ARG 80 80 ? A -6.349 -5.929 -2.135 1.000 1 A 65.440 1
ATOM 1355 H HD3 . ARG 80 80 ? A -7.782 -6.738 -1.491 1.000 1 A 65.440 1
ATOM 1356 H HE . ARG 80 80 ? A -8.443 -3.999 -1.929 1.000 1 A 65.440 1
ATOM 1357 H HH11 . ARG 80 80 ? A -7.098 -6.436 -4.125 1.000 1 A 65.440 1
ATOM 1358 H HH12 . ARG 80 80 ? A -8.083 -5.940 -5.413 1.000 1 A 65.440 1
ATOM 1359 H HH21 . ARG 80 80 ? A -9.421 -3.265 -3.660 1.000 1 A 65.440 1
ATOM 1360 H HH22 . ARG 80 80 ? A -9.317 -4.112 -5.204 1.000 1 A 65.440 1
ATOM 1361 N N . LEU 81 81 ? A -3.322 -6.995 2.141 1.000 1 A 57.340 1
ATOM 1362 C CA . LEU 81 81 ? A -2.505 -7.954 2.896 1.000 1 A 57.340 1
ATOM 1363 C C . LEU 81 81 ? A -2.139 -7.461 4.285 1.000 1 A 57.340 1
ATOM 1364 O O . LEU 81 81 ? A -2.436 -8.106 5.290 1.000 1 A 57.340 1
ATOM 1365 C CB . LEU 81 81 ? A -1.240 -8.324 2.078 1.000 1 A 57.340 1
ATOM 1366 C CG . LEU 81 81 ? A -0.204 -9.183 2.829 1.000 1 A 57.340 1
ATOM 1367 C CD1 . LEU 81 81 ? A -0.778 -10.456 3.443 1.000 1 A 57.340 1
ATOM 1368 C CD2 . LEU 81 81 ? A 0.918 -9.585 1.883 1.000 1 A 57.340 1
ATOM 1369 H H . LEU 81 81 ? A -2.987 -6.706 1.232 1.000 1 A 57.340 1
ATOM 1370 H HA . LEU 81 81 ? A -3.104 -8.842 3.094 1.000 1 A 57.340 1
ATOM 1371 H HB2 . LEU 81 81 ? A -0.725 -7.410 1.781 1.000 1 A 57.340 1
ATOM 1372 H HB3 . LEU 81 81 ? A -1.516 -8.821 1.148 1.000 1 A 57.340 1
ATOM 1373 H HG . LEU 81 81 ? A 0.236 -8.589 3.631 1.000 1 A 57.340 1
ATOM 1374 H HD11 . LEU 81 81 ? A 0.025 -11.065 3.857 1.000 1 A 57.340 1
ATOM 1375 H HD12 . LEU 81 81 ? A -1.293 -11.026 2.670 1.000 1 A 57.340 1
ATOM 1376 H HD13 . LEU 81 81 ? A -1.479 -10.222 4.244 1.000 1 A 57.340 1
ATOM 1377 H HD21 . LEU 81 81 ? A 0.520 -10.257 1.123 1.000 1 A 57.340 1
ATOM 1378 H HD22 . LEU 81 81 ? A 1.339 -8.705 1.398 1.000 1 A 57.340 1
ATOM 1379 H HD23 . LEU 81 81 ? A 1.711 -10.093 2.432 1.000 1 A 57.340 1
ATOM 1380 N N . ILE 82 82 ? A -1.485 -6.315 4.341 1.000 1 A 55.960 1
ATOM 1381 C CA . ILE 82 82 ? A -0.917 -5.804 5.586 1.000 1 A 55.960 1
ATOM 1382 C C . ILE 82 82 ? A -1.978 -5.259 6.543 1.000 1 A 55.960 1
ATOM 1383 O O . ILE 82 82 ? A -1.800 -5.336 7.758 1.000 1 A 55.960 1
ATOM 1384 C CB . ILE 82 82 ? A 0.128 -4.738 5.254 1.000 1 A 55.960 1
ATOM 1385 C CG1 . ILE 82 82 ? A -0.586 -3.542 4.588 1.000 1 A 55.960 1
ATOM 1386 C CG2 . ILE 82 82 ? A 1.271 -5.375 4.440 1.000 1 A 55.960 1
ATOM 1387 C CD1 . ILE 82 82 ? A 0.290 -2.733 3.669 1.000 1 A 55.960 1
ATOM 1388 H H . ILE 82 82 ? A -1.260 -5.853 3.472 1.000 1 A 55.960 1
ATOM 1389 H HA . ILE 82 82 ? A -0.415 -6.623 6.102 1.000 1 A 55.960 1
ATOM 1390 H HB . ILE 82 82 ? A 0.565 -4.393 6.191 1.000 1 A 55.960 1
ATOM 1391 H HG12 . ILE 82 82 ? A -0.992 -2.890 5.361 1.000 1 A 55.960 1
ATOM 1392 H HG13 . ILE 82 82 ? A -1.428 -3.870 3.979 1.000 1 A 55.960 1
ATOM 1393 H HG21 . ILE 82 82 ? A 2.145 -4.723 4.450 1.000 1 A 55.960 1
ATOM 1394 H HG22 . ILE 82 82 ? A 1.569 -6.326 4.880 1.000 1 A 55.960 1
ATOM 1395 H HG23 . ILE 82 82 ? A 0.969 -5.546 3.407 1.000 1 A 55.960 1
ATOM 1396 H HD11 . ILE 82 82 ? A -0.163 -1.748 3.563 1.000 1 A 55.960 1
ATOM 1397 H HD12 . ILE 82 82 ? A 0.327 -3.212 2.691 1.000 1 A 55.960 1
ATOM 1398 H HD13 . ILE 82 82 ? A 1.307 -2.675 4.058 1.000 1 A 55.960 1
ATOM 1399 N N . SER 83 83 ? A -3.077 -4.705 6.018 1.000 1 A 60.180 1
ATOM 1400 C CA . SER 83 83 ? A -4.147 -4.151 6.850 1.000 1 A 60.180 1
ATOM 1401 C C . SER 83 83 ? A -5.190 -5.195 7.232 1.000 1 A 60.180 1
ATOM 1402 O O . SER 83 83 ? A -5.844 -5.050 8.263 1.000 1 A 60.180 1
ATOM 1403 C CB . SER 83 83 ? A -4.823 -2.965 6.160 1.000 1 A 60.180 1
ATOM 1404 O OG . SER 83 83 ? A -5.616 -3.394 5.071 1.000 1 A 60.180 1
ATOM 1405 H H . SER 83 83 ? A -3.158 -4.653 5.013 1.000 1 A 60.180 1
ATOM 1406 H HA . SER 83 83 ? A -3.714 -3.779 7.779 1.000 1 A 60.180 1
ATOM 1407 H HB2 . SER 83 83 ? A -5.463 -2.456 6.880 1.000 1 A 60.180 1
ATOM 1408 H HB3 . SER 83 83 ? A -4.063 -2.263 5.817 1.000 1 A 60.180 1
ATOM 1409 H HG . SER 83 83 ? A -5.027 -3.497 4.321 1.000 1 A 60.180 1
ATOM 1410 N N . GLY 84 84 ? A -5.382 -6.213 6.398 1.000 1 A 57.060 1
ATOM 1411 C CA . GLY 84 84 ? A -6.496 -7.142 6.485 1.000 1 A 57.060 1
ATOM 1412 C C . GLY 84 84 ? A -7.872 -6.519 6.212 1.000 1 A 57.060 1
ATOM 1413 O O . GLY 84 84 ? A -8.883 -6.990 6.730 1.000 1 A 57.060 1
ATOM 1414 H H . GLY 84 84 ? A -4.810 -6.280 5.569 1.000 1 A 57.060 1
ATOM 1415 H HA2 . GLY 84 84 ? A -6.507 -7.632 7.458 1.000 1 A 57.060 1
ATOM 1416 H HA3 . GLY 84 84 ? A -6.307 -7.875 5.701 1.000 1 A 57.060 1
ATOM 1417 N N . HIS 85 85 ? A -7.919 -5.431 5.447 1.000 1 A 58.660 1
ATOM 1418 C CA . HIS 85 85 ? A -9.151 -4.736 5.078 1.000 1 A 58.660 1
ATOM 1419 C C . HIS 85 85 ? A -9.342 -4.741 3.566 1.000 1 A 58.660 1
ATOM 1420 O O . HIS 85 85 ? A -8.388 -4.850 2.796 1.000 1 A 58.660 1
ATOM 1421 C CB . HIS 85 85 ? A -9.121 -3.299 5.610 1.000 1 A 58.660 1
ATOM 1422 C CG . HIS 85 85 ? A -9.125 -3.207 7.112 1.000 1 A 58.660 1
ATOM 1423 N ND1 . HIS 85 85 ? A -8.055 -3.390 7.949 1.000 1 A 58.660 1
ATOM 1424 C CD2 . HIS 85 85 ? A -10.207 -2.963 7.906 1.000 1 A 58.660 1
ATOM 1425 C CE1 . HIS 85 85 ? A -8.482 -3.269 9.212 1.000 1 A 58.660 1
ATOM 1426 N NE2 . HIS 85 85 ? A -9.800 -3.018 9.245 1.000 1 A 58.660 1
ATOM 1427 H H . HIS 85 85 ? A -7.057 -5.100 5.037 1.000 1 A 58.660 1
ATOM 1428 H HA . HIS 85 85 ? A -10.010 -5.243 5.517 1.000 1 A 58.660 1
ATOM 1429 H HB2 . HIS 85 85 ? A -8.230 -2.805 5.224 1.000 1 A 58.660 1
ATOM 1430 H HB3 . HIS 85 85 ? A -9.990 -2.760 5.232 1.000 1 A 58.660 1
ATOM 1431 H HD1 . HIS 85 85 ? A -7.148 -3.752 7.690 1.000 1 A 58.660 1
ATOM 1432 H HD2 . HIS 85 85 ? A -11.207 -2.777 7.542 1.000 1 A 58.660 1
ATOM 1433 H HE1 . HIS 85 85 ? A -7.860 -3.412 10.083 1.000 1 A 58.660 1
ATOM 1434 N N . ARG 86 86 ? A -10.582 -4.539 3.117 1.000 1 A 65.290 1
ATOM 1435 C CA . ARG 86 86 ? A -10.860 -4.299 1.704 1.000 1 A 65.290 1
ATOM 1436 C C . ARG 86 86 ? A -10.427 -2.882 1.353 1.000 1 A 65.290 1
ATOM 1437 O O . ARG 86 86 ? A -11.016 -1.922 1.837 1.000 1 A 65.290 1
ATOM 1438 C CB . ARG 86 86 ? A -12.345 -4.562 1.439 1.000 1 A 65.290 1
ATOM 1439 C CG . ARG 86 86 ? A -12.738 -4.243 -0.006 1.000 1 A 65.290 1
ATOM 1440 C CD . ARG 86 86 ? A -14.224 -4.536 -0.191 1.000 1 A 65.290 1
ATOM 1441 N NE . ARG 86 86 ? A -14.645 -4.288 -1.578 1.000 1 A 65.290 1
ATOM 1442 C CZ . ARG 86 86 ? A -15.821 -4.620 -2.074 1.000 1 A 65.290 1
ATOM 1443 N NH1 . ARG 86 86 ? A -16.738 -5.224 -1.361 1.000 1 A 65.290 1
ATOM 1444 N NH2 . ARG 86 86 ? A -16.091 -4.350 -3.323 1.000 1 A 65.290 1
ATOM 1445 H H . ARG 86 86 ? A -11.322 -4.365 3.783 1.000 1 A 65.290 1
ATOM 1446 H HA . ARG 86 86 ? A -10.279 -5.000 1.106 1.000 1 A 65.290 1
ATOM 1447 H HB2 . ARG 86 86 ? A -12.551 -5.614 1.637 1.000 1 A 65.290 1
ATOM 1448 H HB3 . ARG 86 86 ? A -12.954 -3.972 2.124 1.000 1 A 65.290 1
ATOM 1449 H HG2 . ARG 86 86 ? A -12.155 -4.862 -0.687 1.000 1 A 65.290 1
ATOM 1450 H HG3 . ARG 86 86 ? A -12.559 -3.190 -0.225 1.000 1 A 65.290 1
ATOM 1451 H HD2 . ARG 86 86 ? A -14.413 -5.577 0.071 1.000 1 A 65.290 1
ATOM 1452 H HD3 . ARG 86 86 ? A -14.800 -3.903 0.484 1.000 1 A 65.290 1
ATOM 1453 H HE . ARG 86 86 ? A -13.989 -3.822 -2.189 1.000 1 A 65.290 1
ATOM 1454 H HH11 . ARG 86 86 ? A -17.613 -5.532 -1.761 1.000 1 A 65.290 1
ATOM 1455 H HH12 . ARG 86 86 ? A -16.540 -5.577 -0.436 1.000 1 A 65.290 1
ATOM 1456 H HH21 . ARG 86 86 ? A -15.394 -3.934 -3.924 1.000 1 A 65.290 1
ATOM 1457 H HH22 . ARG 86 86 ? A -16.978 -4.646 -3.705 1.000 1 A 65.290 1
ATOM 1458 N N . VAL 87 87 ? A -9.433 -2.750 0.484 1.000 1 A 65.760 1
ATOM 1459 C CA . VAL 87 87 ? A -8.923 -1.448 0.027 1.000 1 A 65.760 1
ATOM 1460 C C . VAL 87 87 ? A -9.425 -1.149 -1.379 1.000 1 A 65.760 1
ATOM 1461 O O . VAL 87 87 ? A -9.359 -2.014 -2.260 1.000 1 A 65.760 1
ATOM 1462 C CB . VAL 87 87 ? A -7.390 -1.365 0.128 1.000 1 A 65.760 1
ATOM 1463 C CG1 . VAL 87 87 ? A -6.902 0.073 -0.073 1.000 1 A 65.760 1
ATOM 1464 C CG2 . VAL 87 87 ? A -6.940 -1.833 1.516 1.000 1 A 65.760 1
ATOM 1465 H H . VAL 87 87 ? A -8.918 -3.583 0.237 1.000 1 A 65.760 1
ATOM 1466 H HA . VAL 87 87 ? A -9.310 -0.673 0.688 1.000 1 A 65.760 1
ATOM 1467 H HB . VAL 87 87 ? A -6.934 -2.000 -0.632 1.000 1 A 65.760 1
ATOM 1468 H HG11 . VAL 87 87 ? A -5.816 0.106 0.005 1.000 1 A 65.760 1
ATOM 1469 H HG12 . VAL 87 87 ? A -7.327 0.725 0.691 1.000 1 A 65.760 1
ATOM 1470 H HG13 . VAL 87 87 ? A -7.185 0.443 -1.059 1.000 1 A 65.760 1
ATOM 1471 H HG21 . VAL 87 87 ? A -5.883 -1.613 1.665 1.000 1 A 65.760 1
ATOM 1472 H HG22 . VAL 87 87 ? A -7.523 -1.321 2.282 1.000 1 A 65.760 1
ATOM 1473 H HG23 . VAL 87 87 ? A -7.072 -2.909 1.629 1.000 1 A 65.760 1
ATOM 1474 N N . VAL 88 88 ? A -9.932 0.064 -1.588 1.000 1 A 69.370 1
ATOM 1475 C CA . VAL 88 88 ? A -10.352 0.596 -2.890 1.000 1 A 69.370 1
ATOM 1476 C C . VAL 88 88 ? A -9.714 1.961 -3.124 1.000 1 A 69.370 1
ATOM 1477 O O . VAL 88 88 ? A -9.477 2.708 -2.178 1.000 1 A 69.370 1
ATOM 1478 C CB . VAL 88 88 ? A -11.888 0.670 -3.036 1.000 1 A 69.370 1
ATOM 1479 C CG1 . VAL 88 88 ? A -12.532 -0.714 -2.877 1.000 1 A 69.370 1
ATOM 1480 C CG2 . VAL 88 88 ? A -12.568 1.634 -2.055 1.000 1 A 69.370 1
ATOM 1481 H H . VAL 88 88 ? A -9.961 0.703 -0.807 1.000 1 A 69.370 1
ATOM 1482 H HA . VAL 88 88 ? A -9.981 -0.064 -3.674 1.000 1 A 69.370 1
ATOM 1483 H HB . VAL 88 88 ? A -12.109 1.016 -4.045 1.000 1 A 69.370 1
ATOM 1484 H HG11 . VAL 88 88 ? A -12.421 -1.064 -1.851 1.000 1 A 69.370 1
ATOM 1485 H HG12 . VAL 88 88 ? A -12.053 -1.420 -3.556 1.000 1 A 69.370 1
ATOM 1486 H HG13 . VAL 88 88 ? A -13.592 -0.652 -3.121 1.000 1 A 69.370 1
ATOM 1487 H HG21 . VAL 88 88 ? A -12.330 1.360 -1.028 1.000 1 A 69.370 1
ATOM 1488 H HG22 . VAL 88 88 ? A -13.649 1.601 -2.194 1.000 1 A 69.370 1
ATOM 1489 H HG23 . VAL 88 88 ? A -12.226 2.650 -2.250 1.000 1 A 69.370 1
ATOM 1490 N N . LEU 89 89 ? A -9.448 2.302 -4.381 1.000 1 A 65.550 1
ATOM 1491 C CA . LEU 89 89 ? A -8.977 3.632 -4.753 1.000 1 A 65.550 1
ATOM 1492 C C . LEU 89 89 ? A -10.188 4.536 -5.039 1.000 1 A 65.550 1
ATOM 1493 O O . LEU 89 89 ? A -11.039 4.178 -5.855 1.000 1 A 65.550 1
ATOM 1494 C CB . LEU 89 89 ? A -8.024 3.490 -5.955 1.000 1 A 65.550 1
ATOM 1495 C CG . LEU 89 89 ? A -7.284 4.789 -6.315 1.000 1 A 65.550 1
ATOM 1496 C CD1 . LEU 89 89 ? A -6.231 5.162 -5.269 1.000 1 A 65.550 1
ATOM 1497 C CD2 . LEU 89 89 ? A -6.566 4.623 -7.654 1.000 1 A 65.550 1
ATOM 1498 H H . LEU 89 89 ? A -9.681 1.666 -5.131 1.000 1 A 65.550 1
ATOM 1499 H HA . LEU 89 89 ? A -8.419 4.059 -3.920 1.000 1 A 65.550 1
ATOM 1500 H HB2 . LEU 89 89 ? A -7.281 2.722 -5.742 1.000 1 A 65.550 1
ATOM 1501 H HB3 . LEU 89 89 ? A -8.605 3.165 -6.818 1.000 1 A 65.550 1
ATOM 1502 H HG . LEU 89 89 ? A -8.014 5.593 -6.408 1.000 1 A 65.550 1
ATOM 1503 H HD11 . LEU 89 89 ? A -6.691 5.329 -4.295 1.000 1 A 65.550 1
ATOM 1504 H HD12 . LEU 89 89 ? A -5.481 4.376 -5.182 1.000 1 A 65.550 1
ATOM 1505 H HD13 . LEU 89 89 ? A -5.738 6.087 -5.565 1.000 1 A 65.550 1
ATOM 1506 H HD21 . LEU 89 89 ? A -5.799 3.853 -7.574 1.000 1 A 65.550 1
ATOM 1507 H HD22 . LEU 89 89 ? A -6.091 5.566 -7.922 1.000 1 A 65.550 1
ATOM 1508 H HD23 . LEU 89 89 ? A -7.283 4.365 -8.433 1.000 1 A 65.550 1
ATOM 1509 N N . LYS 90 90 ? A -10.274 5.698 -4.384 1.000 1 A 64.310 1
ATOM 1510 C CA . LYS 90 90 ? A -11.239 6.762 -4.707 1.000 1 A 64.310 1
ATOM 1511 C C . LYS 90 90 ? A -10.472 8.034 -5.061 1.000 1 A 64.310 1
ATOM 1512 O O . LYS 90 90 ? A -10.018 8.753 -4.176 1.000 1 A 64.310 1
ATOM 1513 C CB . LYS 90 90 ? A -12.214 7.020 -3.544 1.000 1 A 64.310 1
ATOM 1514 C CG . LYS 90 90 ? A -13.226 5.890 -3.305 1.000 1 A 64.310 1
ATOM 1515 C CD . LYS 90 90 ? A -14.370 6.398 -2.413 1.000 1 A 64.310 1
ATOM 1516 C CE . LYS 90 90 ? A -15.331 5.267 -2.031 1.000 1 A 64.310 1
ATOM 1517 N NZ . LYS 90 90 ? A -16.374 5.745 -1.087 1.000 1 A 64.310 1
ATOM 1518 H H . LYS 90 90 ? A -9.539 5.925 -3.729 1.000 1 A 64.310 1
ATOM 1519 H HA . LYS 90 90 ? A -11.822 6.480 -5.584 1.000 1 A 64.310 1
ATOM 1520 H HB2 . LYS 90 90 ? A -11.650 7.201 -2.629 1.000 1 A 64.310 1
ATOM 1521 H HB3 . LYS 90 90 ? A -12.766 7.930 -3.779 1.000 1 A 64.310 1
ATOM 1522 H HG2 . LYS 90 90 ? A -13.640 5.558 -4.258 1.000 1 A 64.310 1
ATOM 1523 H HG3 . LYS 90 90 ? A -12.721 5.052 -2.824 1.000 1 A 64.310 1
ATOM 1524 H HD2 . LYS 90 90 ? A -14.918 7.172 -2.950 1.000 1 A 64.310 1
ATOM 1525 H HD3 . LYS 90 90 ? A -13.951 6.844 -1.510 1.000 1 A 64.310 1
ATOM 1526 H HE2 . LYS 90 90 ? A -15.787 4.876 -2.941 1.000 1 A 64.310 1
ATOM 1527 H HE3 . LYS 90 90 ? A -14.752 4.465 -1.573 1.000 1 A 64.310 1
ATOM 1528 H HZ1 . LYS 90 90 ? A -16.912 6.493 -1.499 1.000 1 A 64.310 1
ATOM 1529 H HZ2 . LYS 90 90 ? A -17.001 4.995 -0.833 1.000 1 A 64.310 1
ATOM 1530 H HZ3 . LYS 90 90 ? A -15.946 6.094 -0.241 1.000 1 A 64.310 1
ATOM 1531 N N . GLY 91 91 ? A -10.321 8.312 -6.355 1.000 1 A 65.360 1
ATOM 1532 C CA . GLY 91 91 ? A -9.472 9.418 -6.810 1.000 1 A 65.360 1
ATOM 1533 C C . GLY 91 91 ? A -8.005 9.185 -6.406 1.000 1 A 65.360 1
ATOM 1534 O O . GLY 91 91 ? A -7.513 8.082 -6.633 1.000 1 A 65.360 1
ATOM 1535 H H . GLY 91 91 ? A -10.645 7.641 -7.037 1.000 1 A 65.360 1
ATOM 1536 H HA2 . GLY 91 91 ? A -9.518 9.497 -7.896 1.000 1 A 65.360 1
ATOM 1537 H HA3 . GLY 91 91 ? A -9.847 10.347 -6.382 1.000 1 A 65.360 1
ATOM 1538 N N . PRO 92 92 ? A -7.307 10.166 -5.800 1.000 1 A 59.730 1
ATOM 1539 C CA . PRO 92 92 ? A -5.924 9.997 -5.342 1.000 1 A 59.730 1
ATOM 1540 C C . PRO 92 92 ? A -5.799 9.283 -3.979 1.000 1 A 59.730 1
ATOM 1541 O O . PRO 92 92 ? A -4.689 9.103 -3.484 1.000 1 A 59.730 1
ATOM 1542 C CB . PRO 92 92 ? A -5.370 11.424 -5.291 1.000 1 A 59.730 1
ATOM 1543 C CG . PRO 92 92 ? A -6.586 12.242 -4.860 1.000 1 A 59.730 1
ATOM 1544 C CD . PRO 92 92 ? A -7.752 11.534 -5.553 1.000 1 A 59.730 1
ATOM 1545 H HA . PRO 92 92 ? A -5.354 9.421 -6.071 1.000 1 A 59.730 1
ATOM 1546 H HB2 . PRO 92 92 ? A -4.540 11.528 -4.592 1.000 1 A 59.730 1
ATOM 1547 H HB3 . PRO 92 92 ? A -5.059 11.730 -6.290 1.000 1 A 59.730 1
ATOM 1548 H HG2 . PRO 92 92 ? A -6.502 13.284 -5.170 1.000 1 A 59.730 1
ATOM 1549 H HG3 . PRO 92 92 ? A -6.707 12.174 -3.779 1.000 1 A 59.730 1
ATOM 1550 H HD2 . PRO 92 92 ? A -7.966 12.026 -6.502 1.000 1 A 59.730 1
ATOM 1551 H HD3 . PRO 92 92 ? A -8.631 11.552 -4.908 1.000 1 A 59.730 1
ATOM 1552 N N . THR 93 93 ? A -6.914 8.902 -3.346 1.000 1 A 55.320 1
ATOM 1553 C CA . THR 93 93 ? A -6.954 8.437 -1.951 1.000 1 A 55.320 1
ATOM 1554 C C . THR 93 93 ? A -7.263 6.942 -1.869 1.000 1 A 55.320 1
ATOM 1555 O O . THR 93 93 ? A -8.178 6.443 -2.534 1.000 1 A 55.320 1
ATOM 1556 C CB . THR 93 93 ? A -8.001 9.243 -1.163 1.000 1 A 55.320 1
ATOM 1557 O OG1 . THR 93 93 ? A -7.784 10.626 -1.334 1.000 1 A 55.320 1
ATOM 1558 C CG2 . THR 93 93 ? A -7.994 9.007 0.346 1.000 1 A 55.320 1
ATOM 1559 H H . THR 93 93 ? A -7.803 9.072 -3.793 1.000 1 A 55.320 1
ATOM 1560 H HA . THR 93 93 ? A -5.986 8.611 -1.481 1.000 1 A 55.320 1
ATOM 1561 H HB . THR 93 93 ? A -8.989 8.997 -1.551 1.000 1 A 55.320 1
ATOM 1562 H HG1 . THR 93 93 ? A -7.096 10.897 -0.722 1.000 1 A 55.320 1
ATOM 1563 H HG21 . THR 93 93 ? A -8.091 7.945 0.573 1.000 1 A 55.320 1
ATOM 1564 H HG22 . THR 93 93 ? A -8.840 9.530 0.791 1.000 1 A 55.320 1
ATOM 1565 H HG23 . THR 93 93 ? A -7.077 9.402 0.784 1.000 1 A 55.320 1
ATOM 1566 N N . PHE 94 94 ? A -6.550 6.221 -0.999 1.000 1 A 62.710 1
ATOM 1567 C CA . PHE 94 94 ? A -6.890 4.838 -0.660 1.000 1 A 62.710 1
ATOM 1568 C C . PHE 94 94 ? A -7.947 4.818 0.443 1.000 1 A 62.710 1
ATOM 1569 O O . PHE 94 94 ? A -7.807 5.473 1.474 1.000 1 A 62.710 1
ATOM 1570 C CB . PHE 94 94 ? A -5.645 4.037 -0.262 1.000 1 A 62.710 1
ATOM 1571 C CG . PHE 94 94 ? A -4.612 3.923 -1.357 1.000 1 A 62.710 1
ATOM 1572 C CD1 . PHE 94 94 ? A -4.769 2.959 -2.368 1.000 1 A 62.710 1
ATOM 1573 C CD2 . PHE 94 94 ? A -3.504 4.790 -1.375 1.000 1 A 62.710 1
ATOM 1574 C CE1 . PHE 94 94 ? A -3.818 2.860 -3.399 1.000 1 A 62.710 1
ATOM 1575 C CE2 . PHE 94 94 ? A -2.559 4.697 -2.410 1.000 1 A 62.710 1
ATOM 1576 C CZ . PHE 94 94 ? A -2.721 3.738 -3.423 1.000 1 A 62.710 1
ATOM 1577 H H . PHE 94 94 ? A -5.849 6.691 -0.443 1.000 1 A 62.710 1
ATOM 1578 H HA . PHE 94 94 ? A -7.312 4.355 -1.541 1.000 1 A 62.710 1
ATOM 1579 H HB2 . PHE 94 94 ? A -5.951 3.033 0.033 1.000 1 A 62.710 1
ATOM 1580 H HB3 . PHE 94 94 ? A -5.172 4.504 0.601 1.000 1 A 62.710 1
ATOM 1581 H HD1 . PHE 94 94 ? A -5.626 2.302 -2.354 1.000 1 A 62.710 1
ATOM 1582 H HD2 . PHE 94 94 ? A -3.388 5.544 -0.610 1.000 1 A 62.710 1
ATOM 1583 H HE1 . PHE 94 94 ? A -3.930 2.121 -4.179 1.000 1 A 62.710 1
ATOM 1584 H HE2 . PHE 94 94 ? A -1.715 5.370 -2.444 1.000 1 A 62.710 1
ATOM 1585 H HZ . PHE 94 94 ? A -1.998 3.679 -4.224 1.000 1 A 62.710 1
ATOM 1586 N N . VAL 95 95 ? A -9.007 4.048 0.228 1.000 1 A 57.150 1
ATOM 1587 C CA . VAL 95 95 ? A -10.107 3.878 1.172 1.000 1 A 57.150 1
ATOM 1588 C C . VAL 95 95 ? A -10.130 2.437 1.642 1.000 1 A 57.150 1
ATOM 1589 O O . VAL 95 95 ? A -10.339 1.520 0.846 1.000 1 A 57.150 1
ATOM 1590 C CB . VAL 95 95 ? A -11.440 4.301 0.540 1.000 1 A 57.150 1
ATOM 1591 C CG1 . VAL 95 95 ? A -12.620 3.955 1.454 1.000 1 A 57.150 1
ATOM 1592 C CG2 . VAL 95 95 ? A -11.439 5.808 0.267 1.000 1 A 57.150 1
ATOM 1593 H H . VAL 95 95 ? A -9.067 3.554 -0.651 1.000 1 A 57.150 1
ATOM 1594 H HA . VAL 95 95 ? A -9.947 4.517 2.040 1.000 1 A 57.150 1
ATOM 1595 H HB . VAL 95 95 ? A -11.579 3.785 -0.409 1.000 1 A 57.150 1
ATOM 1596 H HG11 . VAL 95 95 ? A -12.391 4.267 2.473 1.000 1 A 57.150 1
ATOM 1597 H HG12 . VAL 95 95 ? A -13.530 4.444 1.105 1.000 1 A 57.150 1
ATOM 1598 H HG13 . VAL 95 95 ? A -12.783 2.877 1.449 1.000 1 A 57.150 1
ATOM 1599 H HG21 . VAL 95 95 ? A -11.226 6.352 1.188 1.000 1 A 57.150 1
ATOM 1600 H HG22 . VAL 95 95 ? A -10.674 6.057 -0.469 1.000 1 A 57.150 1
ATOM 1601 H HG23 . VAL 95 95 ? A -12.410 6.127 -0.111 1.000 1 A 57.150 1
ATOM 1602 N N . PHE 96 96 ? A -9.945 2.234 2.941 1.000 1 A 60.570 1
ATOM 1603 C CA . PHE 96 96 ? A -10.072 0.922 3.558 1.000 1 A 60.570 1
ATOM 1604 C C . PHE 96 96 ? A -11.495 0.793 4.073 1.000 1 A 60.570 1
ATOM 1605 O O . PHE 96 96 ? A -12.005 1.682 4.747 1.000 1 A 60.570 1
ATOM 1606 C CB . PHE 96 96 ? A -9.051 0.647 4.672 1.000 1 A 60.570 1
ATOM 1607 C CG . PHE 96 96 ? A -7.584 0.892 4.339 1.000 1 A 60.570 1
ATOM 1608 C CD1 . PHE 96 96 ? A -6.666 -0.166 4.479 1.000 1 A 60.570 1
ATOM 1609 C CD2 . PHE 96 96 ? A -7.120 2.125 3.834 1.000 1 A 60.570 1
ATOM 1610 C CE1 . PHE 96 96 ? A -5.333 -0.024 4.063 1.000 1 A 60.570 1
ATOM 1611 C CE2 . PHE 96 96 ? A -5.810 2.237 3.351 1.000 1 A 60.570 1
ATOM 1612 C CZ . PHE 96 96 ? A -4.905 1.178 3.487 1.000 1 A 60.570 1
ATOM 1613 H H . PHE 96 96 ? A -9.786 3.036 3.534 1.000 1 A 60.570 1
ATOM 1614 H HA . PHE 96 96 ? A -9.907 0.160 2.796 1.000 1 A 60.570 1
ATOM 1615 H HB2 . PHE 96 96 ? A -9.162 -0.407 4.929 1.000 1 A 60.570 1
ATOM 1616 H HB3 . PHE 96 96 ? A -9.344 1.171 5.581 1.000 1 A 60.570 1
ATOM 1617 H HD1 . PHE 96 96 ? A -6.984 -1.111 4.893 1.000 1 A 60.570 1
ATOM 1618 H HD2 . PHE 96 96 ? A -7.765 2.988 3.759 1.000 1 A 60.570 1
ATOM 1619 H HE1 . PHE 96 96 ? A -4.641 -0.848 4.155 1.000 1 A 60.570 1
ATOM 1620 H HE2 . PHE 96 96 ? A -5.499 3.141 2.850 1.000 1 A 60.570 1
ATOM 1621 H HZ . PHE 96 96 ? A -3.887 1.288 3.143 1.000 1 A 60.570 1
ATOM 1622 N N . THR 97 97 ? A -12.121 -0.326 3.755 1.000 1 A 58.160 1
ATOM 1623 C CA . THR 97 97 ? A -13.440 -0.717 4.225 1.000 1 A 58.160 1
ATOM 1624 C C . THR 97 97 ? A -13.283 -2.011 5.005 1.000 1 A 58.160 1
ATOM 1625 O O . THR 97 97 ? A -12.680 -2.978 4.532 1.000 1 A 58.160 1
ATOM 1626 C CB . THR 97 97 ? A -14.451 -0.847 3.072 1.000 1 A 58.160 1
ATOM 1627 O OG1 . THR 97 97 ? A -13.971 -1.659 2.026 1.000 1 A 58.160 1
ATOM 1628 C CG2 . THR 97 97 ? A -14.761 0.512 2.448 1.000 1 A 58.160 1
ATOM 1629 H H . THR 97 97 ? A -11.605 -1.002 3.210 1.000 1 A 58.160 1
ATOM 1630 H HA . THR 97 97 ? A -13.823 0.042 4.906 1.000 1 A 58.160 1
ATOM 1631 H HB . THR 97 97 ? A -15.379 -1.270 3.458 1.000 1 A 58.160 1
ATOM 1632 H HG1 . THR 97 97 ? A -13.015 -1.565 2.001 1.000 1 A 58.160 1
ATOM 1633 H HG21 . THR 97 97 ? A -15.100 1.204 3.219 1.000 1 A 58.160 1
ATOM 1634 H HG22 . THR 97 97 ? A -13.868 0.913 1.970 1.000 1 A 58.160 1
ATOM 1635 H HG23 . THR 97 97 ? A -15.548 0.395 1.703 1.000 1 A 58.160 1
ATOM 1636 N N . LYS 98 98 ? A -13.792 -2.028 6.235 1.000 1 A 52.150 1
ATOM 1637 C CA . LYS 98 98 ? A -13.949 -3.270 6.987 1.000 1 A 52.150 1
ATOM 1638 C C . LYS 98 98 ? A -15.300 -3.865 6.613 1.000 1 A 52.150 1
ATOM 1639 O O . LYS 98 98 ? A -16.325 -3.235 6.862 1.000 1 A 52.150 1
ATOM 1640 C CB . LYS 98 98 ? A -13.817 -2.985 8.492 1.000 1 A 52.150 1
ATOM 1641 C CG . LYS 98 98 ? A -13.597 -4.274 9.293 1.000 1 A 52.150 1
ATOM 1642 C CD . LYS 98 98 ? A -13.332 -3.938 10.764 1.000 1 A 52.150 1
ATOM 1643 C CE . LYS 98 98 ? A -13.330 -5.219 11.602 1.000 1 A 52.150 1
ATOM 1644 N NZ . LYS 98 98 ? A -13.366 -4.902 13.049 1.000 1 A 52.150 1
ATOM 1645 H H . LYS 98 98 ? A -14.231 -1.191 6.590 1.000 1 A 52.150 1
ATOM 1646 H HA . LYS 98 98 ? A -13.169 -3.974 6.697 1.000 1 A 52.150 1
ATOM 1647 H HB2 . LYS 98 98 ? A -12.975 -2.315 8.667 1.000 1 A 52.150 1
ATOM 1648 H HB3 . LYS 98 98 ? A -14.715 -2.481 8.848 1.000 1 A 52.150 1
ATOM 1649 H HG2 . LYS 98 98 ? A -12.742 -4.818 8.891 1.000 1 A 52.150 1
ATOM 1650 H HG3 . LYS 98 98 ? A -14.485 -4.902 9.212 1.000 1 A 52.150 1
ATOM 1651 H HD2 . LYS 98 98 ? A -12.370 -3.432 10.849 1.000 1 A 52.150 1
ATOM 1652 H HD3 . LYS 98 98 ? A -14.111 -3.263 11.117 1.000 1 A 52.150 1
ATOM 1653 H HE2 . LYS 98 98 ? A -12.446 -5.806 11.351 1.000 1 A 52.150 1
ATOM 1654 H HE3 . LYS 98 98 ? A -14.207 -5.808 11.335 1.000 1 A 52.150 1
ATOM 1655 H HZ1 . LYS 98 98 ? A -14.176 -4.333 13.254 1.000 1 A 52.150 1
ATOM 1656 H HZ2 . LYS 98 98 ? A -12.539 -4.394 13.328 1.000 1 A 52.150 1
ATOM 1657 H HZ3 . LYS 98 98 ? A -13.465 -5.737 13.608 1.000 1 A 52.150 1
ATOM 1658 N N . GLU 99 99 ? A -15.325 -5.072 6.057 1.000 1 A 46.580 1
ATOM 1659 C CA . GLU 99 99 ? A -16.559 -5.859 6.050 1.000 1 A 46.580 1
ATOM 1660 C C . GLU 99 99 ? A -16.776 -6.374 7.480 1.000 1 A 46.580 1
ATOM 1661 O O . GLU 99 99 ? A -16.302 -7.435 7.878 1.000 1 A 46.580 1
ATOM 1662 C CB . GLU 99 99 ? A -16.538 -6.961 4.972 1.000 1 A 46.580 1
ATOM 1663 C CG . GLU 99 99 ? A -16.757 -6.351 3.572 1.000 1 A 46.580 1
ATOM 1664 C CD . GLU 99 99 ? A -16.879 -7.371 2.426 1.000 1 A 46.580 1
ATOM 1665 O OE1 . GLU 99 99 ? A -16.947 -6.895 1.260 1.000 1 A 46.580 1
ATOM 1666 O OE2 . GLU 99 99 ? A -16.879 -8.588 2.712 1.000 1 A 46.580 1
ATOM 1667 H H . GLU 99 99 ? A -14.461 -5.537 5.818 1.000 1 A 46.580 1
ATOM 1668 H HA . GLU 99 99 ? A -17.404 -5.212 5.816 1.000 1 A 46.580 1
ATOM 1669 H HB2 . GLU 99 99 ? A -17.351 -7.656 5.180 1.000 1 A 46.580 1
ATOM 1670 H HB3 . GLU 99 99 ? A -15.590 -7.498 5.007 1.000 1 A 46.580 1
ATOM 1671 H HG2 . GLU 99 99 ? A -15.928 -5.678 3.355 1.000 1 A 46.580 1
ATOM 1672 H HG3 . GLU 99 99 ? A -17.668 -5.753 3.595 1.000 1 A 46.580 1
ATOM 1673 N N . ILE 100 100 ? A -17.423 -5.559 8.318 1.000 1 A 40.960 1
ATOM 1674 C CA . ILE 100 100 ? A -17.882 -6.002 9.635 1.000 1 A 40.960 1
ATOM 1675 C C . ILE 100 100 ? A -19.105 -6.872 9.368 1.000 1 A 40.960 1
ATOM 1676 O O . ILE 100 100 ? A -20.178 -6.330 9.102 1.000 1 A 40.960 1
ATOM 1677 C CB . ILE 100 100 ? A -18.214 -4.822 10.583 1.000 1 A 40.960 1
ATOM 1678 C CG1 . ILE 100 100 ? A -17.031 -3.841 10.708 1.000 1 A 40.960 1
ATOM 1679 C CG2 . ILE 100 100 ? A -18.588 -5.385 11.971 1.000 1 A 40.960 1
ATOM 1680 C CD1 . ILE 100 100 ? A -17.351 -2.561 11.492 1.000 1 A 40.960 1
ATOM 1681 H H . ILE 100 100 ? A -17.713 -4.654 7.976 1.000 1 A 40.960 1
ATOM 1682 H HA . ILE 100 100 ? A -17.105 -6.611 10.098 1.000 1 A 40.960 1
ATOM 1683 H HB . ILE 100 100 ? A -19.065 -4.271 10.183 1.000 1 A 40.960 1
ATOM 1684 H HG12 . ILE 100 100 ? A -16.196 -4.353 11.186 1.000 1 A 40.960 1
ATOM 1685 H HG13 . ILE 100 100 ? A -16.720 -3.524 9.712 1.000 1 A 40.960 1
ATOM 1686 H HG21 . ILE 100 100 ? A -17.756 -5.954 12.388 1.000 1 A 40.960 1
ATOM 1687 H HG22 . ILE 100 100 ? A -19.464 -6.030 11.900 1.000 1 A 40.960 1
ATOM 1688 H HG23 . ILE 100 100 ? A -18.839 -4.578 12.659 1.000 1 A 40.960 1
ATOM 1689 H HD11 . ILE 100 100 ? A -16.517 -1.865 11.397 1.000 1 A 40.960 1
ATOM 1690 H HD12 . ILE 100 100 ? A -18.246 -2.089 11.088 1.000 1 A 40.960 1
ATOM 1691 H HD13 . ILE 100 100 ? A -17.498 -2.781 12.550 1.000 1 A 40.960 1
ATOM 1692 N N . LYS 101 101 ? A -18.958 -8.201 9.458 1.000 1 A 40.440 1
ATOM 1693 C CA . LYS 101 101 ? A -20.060 -9.152 9.218 1.000 1 A 40.440 1
ATOM 1694 C C . LYS 101 101 ? A -21.358 -8.815 9.975 1.000 1 A 40.440 1
ATOM 1695 O O . LYS 101 101 ? A -22.407 -9.232 9.516 1.000 1 A 40.440 1
ATOM 1696 C CB . LYS 101 101 ? A -19.610 -10.600 9.513 1.000 1 A 40.440 1
ATOM 1697 C CG . LYS 101 101 ? A -18.825 -11.256 8.360 1.000 1 A 40.440 1
ATOM 1698 C CD . LYS 101 101 ? A -18.434 -12.694 8.744 1.000 1 A 40.440 1
ATOM 1699 C CE . LYS 101 101 ? A -17.589 -13.402 7.677 1.000 1 A 40.440 1
ATOM 1700 N NZ . LYS 101 101 ? A -16.870 -14.568 8.267 1.000 1 A 40.440 1
ATOM 1701 H H . LYS 101 101 ? A -18.019 -8.563 9.537 1.000 1 A 40.440 1
ATOM 1702 H HA . LYS 101 101 ? A -20.339 -9.092 8.167 1.000 1 A 40.440 1
ATOM 1703 H HB2 . LYS 101 101 ? A -20.497 -11.208 9.692 1.000 1 A 40.440 1
ATOM 1704 H HB3 . LYS 101 101 ? A -19.012 -10.614 10.424 1.000 1 A 40.440 1
ATOM 1705 H HG2 . LYS 101 101 ? A -17.924 -10.677 8.160 1.000 1 A 40.440 1
ATOM 1706 H HG3 . LYS 101 101 ? A -19.443 -11.275 7.461 1.000 1 A 40.440 1
ATOM 1707 H HD2 . LYS 101 101 ? A -19.335 -13.278 8.934 1.000 1 A 40.440 1
ATOM 1708 H HD3 . LYS 101 101 ? A -17.857 -12.646 9.667 1.000 1 A 40.440 1
ATOM 1709 H HE2 . LYS 101 101 ? A -18.232 -13.710 6.853 1.000 1 A 40.440 1
ATOM 1710 H HE3 . LYS 101 101 ? A -16.860 -12.691 7.288 1.000 1 A 40.440 1
ATOM 1711 H HZ1 . LYS 101 101 ? A -17.503 -15.246 8.665 1.000 1 A 40.440 1
ATOM 1712 H HZ2 . LYS 101 101 ? A -16.272 -15.025 7.593 1.000 1 A 40.440 1
ATOM 1713 H HZ3 . LYS 101 101 ? A -16.260 -14.291 9.022 1.000 1 A 40.440 1
ATOM 1714 N N . ASN 102 102 ? A -21.325 -8.028 11.060 1.000 1 A 38.950 1
ATOM 1715 C CA . ASN 102 102 ? A -22.500 -7.775 11.907 1.000 1 A 38.950 1
ATOM 1716 C C . ASN 102 102 ? A -22.836 -6.310 12.256 1.000 1 A 38.950 1
ATOM 1717 O O . ASN 102 102 ? A -23.618 -6.106 13.179 1.000 1 A 38.950 1
ATOM 1718 C CB . ASN 102 102 ? A -22.371 -8.665 13.161 1.000 1 A 38.950 1
ATOM 1719 C CG . ASN 102 102 ? A -22.775 -10.105 12.909 1.000 1 A 38.950 1
ATOM 1720 O OD1 . ASN 102 102 ? A -23.376 -10.471 11.921 1.000 1 A 38.950 1
ATOM 1721 N ND2 . ASN 102 102 ? A -22.482 -10.990 13.827 1.000 1 A 38.950 1
ATOM 1722 H H . ASN 102 102 ? A -20.422 -7.690 11.359 1.000 1 A 38.950 1
ATOM 1723 H HA . ASN 102 102 ? A -23.390 -8.102 11.370 1.000 1 A 38.950 1
ATOM 1724 H HB2 . ASN 102 102 ? A -23.036 -8.313 13.951 1.000 1 A 38.950 1
ATOM 1725 H HB3 . ASN 102 102 ? A -21.351 -8.627 13.543 1.000 1 A 38.950 1
ATOM 1726 H HD21 . ASN 102 102 ? A -22.034 -10.725 14.693 1.000 1 A 38.950 1
ATOM 1727 H HD22 . ASN 102 102 ? A -22.808 -11.927 13.638 1.000 1 A 38.950 1
ATOM 1728 N N . LEU 103 103 ? A -22.313 -5.281 11.573 1.000 1 A 36.150 1
ATOM 1729 C CA . LEU 103 103 ? A -22.780 -3.901 11.849 1.000 1 A 36.150 1
ATOM 1730 C C . LEU 103 103 ? A -23.180 -3.071 10.631 1.000 1 A 36.150 1
ATOM 1731 O O . LEU 103 103 ? A -23.705 -1.983 10.825 1.000 1 A 36.150 1
ATOM 1732 C CB . LEU 103 103 ? A -21.804 -3.154 12.786 1.000 1 A 36.150 1
ATOM 1733 C CG . LEU 103 103 ? A -21.899 -3.573 14.270 1.000 1 A 36.150 1
ATOM 1734 C CD1 . LEU 103 103 ? A -20.771 -2.909 15.062 1.000 1 A 36.150 1
ATOM 1735 C CD2 . LEU 103 103 ? A -23.222 -3.166 14.929 1.000 1 A 36.150 1
ATOM 1736 H H . LEU 103 103 ? A -21.688 -5.467 10.801 1.000 1 A 36.150 1
ATOM 1737 H HA . LEU 103 103 ? A -23.733 -3.958 12.376 1.000 1 A 36.150 1
ATOM 1738 H HB2 . LEU 103 103 ? A -20.788 -3.308 12.424 1.000 1 A 36.150 1
ATOM 1739 H HB3 . LEU 103 103 ? A -22.005 -2.084 12.737 1.000 1 A 36.150 1
ATOM 1740 H HG . LEU 103 103 ? A -21.767 -4.652 14.357 1.000 1 A 36.150 1
ATOM 1741 H HD11 . LEU 103 103 ? A -20.876 -1.825 15.021 1.000 1 A 36.150 1
ATOM 1742 H HD12 . LEU 103 103 ? A -20.808 -3.236 16.101 1.000 1 A 36.150 1
ATOM 1743 H HD13 . LEU 103 103 ? A -19.806 -3.193 14.642 1.000 1 A 36.150 1
ATOM 1744 H HD21 . LEU 103 103 ? A -24.051 -3.717 14.485 1.000 1 A 36.150 1
ATOM 1745 H HD22 . LEU 103 103 ? A -23.393 -2.097 14.806 1.000 1 A 36.150 1
ATOM 1746 H HD23 . LEU 103 103 ? A -23.195 -3.409 15.992 1.000 1 A 36.150 1
ATOM 1747 N N . GLY 104 104 ? A -22.983 -3.542 9.395 1.000 1 A 29.570 1
ATOM 1748 C CA . GLY 104 104 ? A -23.471 -2.841 8.195 1.000 1 A 29.570 1
ATOM 1749 C C . GLY 104 104 ? A -22.923 -1.418 7.983 1.000 1 A 29.570 1
ATOM 1750 O O . GLY 104 104 ? A -23.325 -0.749 7.037 1.000 1 A 29.570 1
ATOM 1751 H H . GLY 104 104 ? A -22.578 -4.460 9.278 1.000 1 A 29.570 1
ATOM 1752 H HA2 . GLY 104 104 ? A -23.214 -3.429 7.314 1.000 1 A 29.570 1
ATOM 1753 H HA3 . GLY 104 104 ? A -24.557 -2.768 8.252 1.000 1 A 29.570 1
ATOM 1754 N N . ILE 105 105 ? A -21.998 -0.954 8.829 1.000 1 A 32.840 1
ATOM 1755 C CA . ILE 105 105 ? A -21.366 0.359 8.738 1.000 1 A 32.840 1
ATOM 1756 C C . ILE 105 105 ? A -19.948 0.142 8.196 1.000 1 A 32.840 1
ATOM 1757 O O . ILE 105 105 ? A -19.095 -0.377 8.922 1.000 1 A 32.840 1
ATOM 1758 C CB . ILE 105 105 ? A -21.377 1.092 10.099 1.000 1 A 32.840 1
ATOM 1759 C CG1 . ILE 105 105 ? A -22.818 1.324 10.613 1.000 1 A 32.840 1
ATOM 1760 C CG2 . ILE 105 105 ? A -20.674 2.457 9.954 1.000 1 A 32.840 1
ATOM 1761 C CD1 . ILE 105 105 ? A -22.885 1.652 12.109 1.000 1 A 32.840 1
ATOM 1762 H H . ILE 105 105 ? A -21.776 -1.524 9.633 1.000 1 A 32.840 1
ATOM 1763 H HA . ILE 105 105 ? A -21.943 0.982 8.055 1.000 1 A 32.840 1
ATOM 1764 H HB . ILE 105 105 ? A -20.835 0.486 10.825 1.000 1 A 32.840 1
ATOM 1765 H HG12 . ILE 105 105 ? A -23.281 2.133 10.049 1.000 1 A 32.840 1
ATOM 1766 H HG13 . ILE 105 105 ? A -23.430 0.436 10.451 1.000 1 A 32.840 1
ATOM 1767 H HG21 . ILE 105 105 ? A -19.634 2.327 9.658 1.000 1 A 32.840 1
ATOM 1768 H HG22 . ILE 105 105 ? A -21.181 3.070 9.208 1.000 1 A 32.840 1
ATOM 1769 H HG23 . ILE 105 105 ? A -20.674 2.989 10.905 1.000 1 A 32.840 1
ATOM 1770 H HD11 . ILE 105 105 ? A -23.929 1.739 12.410 1.000 1 A 32.840 1
ATOM 1771 H HD12 . ILE 105 105 ? A -22.418 0.853 12.685 1.000 1 A 32.840 1
ATOM 1772 H HD13 . ILE 105 105 ? A -22.383 2.597 12.321 1.000 1 A 32.840 1
ATOM 1773 N N . PRO 106 106 ? A -19.667 0.502 6.932 1.000 1 A 33.950 1
ATOM 1774 C CA . PRO 106 106 ? A -18.306 0.510 6.422 1.000 1 A 33.950 1
ATOM 1775 C C . PRO 106 106 ? A -17.507 1.589 7.161 1.000 1 A 33.950 1
ATOM 1776 O O . PRO 106 106 ? A -17.678 2.782 6.915 1.000 1 A 33.950 1
ATOM 1777 C CB . PRO 106 106 ? A -18.433 0.767 4.915 1.000 1 A 33.950 1
ATOM 1778 C CG . PRO 106 106 ? A -19.770 1.493 4.768 1.000 1 A 33.950 1
ATOM 1779 C CD . PRO 106 106 ? A -20.610 0.960 5.923 1.000 1 A 33.950 1
ATOM 1780 H HA . PRO 106 106 ? A -17.835 -0.460 6.584 1.000 1 A 33.950 1
ATOM 1781 H HB2 . PRO 106 106 ? A -18.486 -0.190 4.396 1.000 1 A 33.950 1
ATOM 1782 H HB3 . PRO 106 106 ? A -17.605 1.359 4.525 1.000 1 A 33.950 1
ATOM 1783 H HG2 . PRO 106 106 ? A -20.237 1.290 3.804 1.000 1 A 33.950 1
ATOM 1784 H HG3 . PRO 106 106 ? A -19.617 2.564 4.898 1.000 1 A 33.950 1
ATOM 1785 H HD2 . PRO 106 106 ? A -21.216 0.120 5.585 1.000 1 A 33.950 1
ATOM 1786 H HD3 . PRO 106 106 ? A -21.248 1.761 6.296 1.000 1 A 33.950 1
ATOM 1787 N N . SER 107 107 ? A -16.614 1.181 8.062 1.000 1 A 34.590 1
ATOM 1788 C CA . SER 107 107 ? A -15.592 2.082 8.595 1.000 1 A 34.590 1
ATOM 1789 C C . SER 107 107 ? A -14.657 2.446 7.443 1.000 1 A 34.590 1
ATOM 1790 O O . SER 107 107 ? A -13.993 1.561 6.897 1.000 1 A 34.590 1
ATOM 1791 C CB . SER 107 107 ? A -14.840 1.430 9.761 1.000 1 A 34.590 1
ATOM 1792 O OG . SER 107 107 ? A -14.279 0.194 9.356 1.000 1 A 34.590 1
ATOM 1793 H H . SER 107 107 ? A -16.576 0.204 8.316 1.000 1 A 34.590 1
ATOM 1794 H HA . SER 107 107 ? A -16.067 2.989 8.968 1.000 1 A 34.590 1
ATOM 1795 H HB2 . SER 107 107 ? A -15.534 1.260 10.584 1.000 1 A 34.590 1
ATOM 1796 H HB3 . SER 107 107 ? A -14.050 2.098 10.102 1.000 1 A 34.590 1
ATOM 1797 H HG . SER 107 107 ? A -13.728 0.399 8.597 1.000 1 A 34.590 1
ATOM 1798 N N . THR 108 108 ? A -14.666 3.715 7.042 1.000 1 A 36.370 1
ATOM 1799 C CA . THR 108 108 ? A -13.829 4.250 5.964 1.000 1 A 36.370 1
ATOM 1800 C C . THR 108 108 ? A -12.550 4.777 6.595 1.000 1 A 36.370 1
ATOM 1801 O O . THR 108 108 ? A -12.572 5.804 7.263 1.000 1 A 36.370 1
ATOM 1802 C CB . THR 108 108 ? A -14.566 5.368 5.209 1.000 1 A 36.370 1
ATOM 1803 O OG1 . THR 108 108 ? A -15.751 4.834 4.651 1.000 1 A 36.370 1
ATOM 1804 C CG2 . THR 108 108 ? A -13.767 6.000 4.064 1.000 1 A 36.370 1
ATOM 1805 H H . THR 108 108 ? A -15.207 4.377 7.579 1.000 1 A 36.370 1
ATOM 1806 H HA . THR 108 108 ? A -13.584 3.465 5.249 1.000 1 A 36.370 1
ATOM 1807 H HB . THR 108 108 ? A -14.835 6.149 5.920 1.000 1 A 36.370 1
ATOM 1808 H HG1 . THR 108 108 ? A -16.266 4.472 5.376 1.000 1 A 36.370 1
ATOM 1809 H HG21 . THR 108 108 ? A -12.699 5.808 4.167 1.000 1 A 36.370 1
ATOM 1810 H HG22 . THR 108 108 ? A -14.119 5.632 3.100 1.000 1 A 36.370 1
ATOM 1811 H HG23 . THR 108 108 ? A -13.912 7.080 4.091 1.000 1 A 36.370 1
ATOM 1812 N N . ILE 109 109 ? A -11.432 4.091 6.385 1.000 1 A 37.260 1
ATOM 1813 C CA . ILE 109 109 ? A -10.122 4.669 6.693 1.000 1 A 37.260 1
ATOM 1814 C C . ILE 109 109 ? A -9.670 5.399 5.437 1.000 1 A 37.260 1
ATOM 1815 O O . ILE 109 109 ? A -9.467 4.766 4.398 1.000 1 A 37.260 1
ATOM 1816 C CB . ILE 109 109 ? A -9.115 3.597 7.119 1.000 1 A 37.260 1
ATOM 1817 C CG1 . ILE 109 109 ? A -9.650 2.720 8.277 1.000 1 A 37.260 1
ATOM 1818 C CG2 . ILE 109 109 ? A -7.765 4.217 7.466 1.000 1 A 37.260 1
ATOM 1819 C CD1 . ILE 109 109 ? A -8.707 1.593 8.718 1.000 1 A 37.260 1
ATOM 1820 H H . ILE 109 109 ? A -11.483 3.232 5.858 1.000 1 A 37.260 1
ATOM 1821 H HA . ILE 109 109 ? A -10.206 5.385 7.510 1.000 1 A 37.260 1
ATOM 1822 H HB . ILE 109 109 ? A -8.927 2.980 6.241 1.000 1 A 37.260 1
ATOM 1823 H HG12 . ILE 109 109 ? A -9.861 3.354 9.138 1.000 1 A 37.260 1
ATOM 1824 H HG13 . ILE 109 109 ? A -10.585 2.249 7.970 1.000 1 A 37.260 1
ATOM 1825 H HG21 . ILE 109 109 ? A -7.799 4.670 8.457 1.000 1 A 37.260 1
ATOM 1826 H HG22 . ILE 109 109 ? A -7.464 4.971 6.739 1.000 1 A 37.260 1
ATOM 1827 H HG23 . ILE 109 109 ? A -7.036 3.408 7.424 1.000 1 A 37.260 1
ATOM 1828 H HD11 . ILE 109 109 ? A -9.212 0.967 9.453 1.000 1 A 37.260 1
ATOM 1829 H HD12 . ILE 109 109 ? A -8.429 0.978 7.861 1.000 1 A 37.260 1
ATOM 1830 H HD13 . ILE 109 109 ? A -7.809 2.008 9.176 1.000 1 A 37.260 1
ATOM 1831 N N . ASN 110 110 ? A -9.536 6.718 5.530 1.000 1 A 36.450 1
ATOM 1832 C CA . ASN 110 110 ? A -8.969 7.515 4.453 1.000 1 A 36.450 1
ATOM 1833 C C . ASN 110 110 ? A -7.457 7.549 4.619 1.000 1 A 36.450 1
ATOM 1834 O O . ASN 110 110 ? A -6.930 7.860 5.691 1.000 1 A 36.450 1
ATOM 1835 C CB . ASN 110 110 ? A -9.574 8.923 4.435 1.000 1 A 36.450 1
ATOM 1836 C CG . ASN 110 110 ? A -11.030 8.914 4.012 1.000 1 A 36.450 1
ATOM 1837 O OD1 . ASN 110 110 ? A -11.425 8.292 3.039 1.000 1 A 36.450 1
ATOM 1838 N ND2 . ASN 110 110 ? A -11.881 9.607 4.730 1.000 1 A 36.450 1
ATOM 1839 H H . ASN 110 110 ? A -9.650 7.148 6.437 1.000 1 A 36.450 1
ATOM 1840 H HA . ASN 110 110 ? A -9.192 7.043 3.496 1.000 1 A 36.450 1
ATOM 1841 H HB2 . ASN 110 110 ? A -9.470 9.373 5.423 1.000 1 A 36.450 1
ATOM 1842 H HB3 . ASN 110 110 ? A -9.030 9.540 3.721 1.000 1 A 36.450 1
ATOM 1843 H HD21 . ASN 110 110 ? A -12.852 9.556 4.455 1.000 1 A 36.450 1
ATOM 1844 H HD22 . ASN 110 110 ? A -11.583 10.067 5.578 1.000 1 A 36.450 1
ATOM 1845 N N . VAL 111 111 ? A -6.768 7.231 3.535 1.000 1 A 40.720 1
ATOM 1846 C CA . VAL 111 111 ? A -5.321 7.252 3.482 1.000 1 A 40.720 1
ATOM 1847 C C . VAL 111 111 ? A -4.861 8.271 2.454 1.000 1 A 40.720 1
ATOM 1848 O O . VAL 111 111 ? A -5.038 8.089 1.247 1.000 1 A 40.720 1
ATOM 1849 C CB . VAL 111 111 ? A -4.818 5.836 3.231 1.000 1 A 40.720 1
ATOM 1850 C CG1 . VAL 111 111 ? A -3.400 5.858 2.716 1.000 1 A 40.720 1
ATOM 1851 C CG2 . VAL 111 111 ? A -4.848 5.039 4.540 1.000 1 A 40.720 1
ATOM 1852 H H . VAL 111 111 ? A -7.262 6.905 2.717 1.000 1 A 40.720 1
ATOM 1853 H HA . VAL 111 111 ? A -4.917 7.574 4.442 1.000 1 A 40.720 1
ATOM 1854 H HB . VAL 111 111 ? A -5.455 5.341 2.498 1.000 1 A 40.720 1
ATOM 1855 H HG11 . VAL 111 111 ? A -3.074 4.823 2.617 1.000 1 A 40.720 1
ATOM 1856 H HG12 . VAL 111 111 ? A -3.342 6.301 1.721 1.000 1 A 40.720 1
ATOM 1857 H HG13 . VAL 111 111 ? A -2.807 6.448 3.415 1.000 1 A 40.720 1
ATOM 1858 H HG21 . VAL 111 111 ? A -4.359 5.618 5.324 1.000 1 A 40.720 1
ATOM 1859 H HG22 . VAL 111 111 ? A -4.303 4.101 4.443 1.000 1 A 40.720 1
ATOM 1860 H HG23 . VAL 111 111 ? A -5.880 4.840 4.830 1.000 1 A 40.720 1
ATOM 1861 N N . ASP 112 112 ? A -4.227 9.321 2.967 1.000 1 A 43.280 1
ATOM 1862 C CA . ASP 112 112 ? A -3.476 10.281 2.169 1.000 1 A 43.280 1
ATOM 1863 C C . ASP 112 112 ? A -2.095 9.675 1.882 1.000 1 A 43.280 1
ATOM 1864 O O . ASP 112 112 ? A -1.275 9.505 2.794 1.000 1 A 43.280 1
ATOM 1865 C CB . ASP 112 112 ? A -3.369 11.632 2.907 1.000 1 A 43.280 1
ATOM 1866 C CG . ASP 112 112 ? A -4.692 12.409 3.001 1.000 1 A 43.280 1
ATOM 1867 O OD1 . ASP 112 112 ? A -5.461 12.363 2.017 1.000 1 A 43.280 1
ATOM 1868 O OD2 . ASP 112 112 ? A -4.915 13.058 4.065 1.000 1 A 43.280 1
ATOM 1869 H H . ASP 112 112 ? A -4.129 9.371 3.971 1.000 1 A 43.280 1
ATOM 1870 H HA . ASP 112 112 ? A -3.988 10.452 1.222 1.000 1 A 43.280 1
ATOM 1871 H HB2 . ASP 112 112 ? A -2.653 12.259 2.374 1.000 1 A 43.280 1
ATOM 1872 H HB3 . ASP 112 112 ? A -2.976 11.462 3.909 1.000 1 A 43.280 1
ATOM 1873 N N . PHE 113 113 ? A -1.844 9.319 0.621 1.000 1 A 41.580 1
ATOM 1874 C CA . PHE 113 113 ? A -0.509 8.958 0.154 1.000 1 A 41.580 1
ATOM 1875 C C . PHE 113 113 ? A 0.248 10.246 -0.177 1.000 1 A 41.580 1
ATOM 1876 O O . PHE 113 113 ? A -0.015 10.881 -1.195 1.000 1 A 41.580 1
ATOM 1877 C CB . PHE 113 113 ? A -0.606 7.999 -1.043 1.000 1 A 41.580 1
ATOM 1878 C CG . PHE 113 113 ? A 0.732 7.413 -1.456 1.000 1 A 41.580 1
ATOM 1879 C CD1 . PHE 113 113 ? A 1.483 7.999 -2.493 1.000 1 A 41.580 1
ATOM 1880 C CD2 . PHE 113 113 ? A 1.238 6.287 -0.780 1.000 1 A 41.580 1
ATOM 1881 C CE1 . PHE 113 113 ? A 2.727 7.452 -2.857 1.000 1 A 41.580 1
ATOM 1882 C CE2 . PHE 113 113 ? A 2.488 5.751 -1.134 1.000 1 A 41.580 1
ATOM 1883 C CZ . PHE 113 113 ? A 3.231 6.329 -2.179 1.000 1 A 41.580 1
ATOM 1884 H H . PHE 113 113 ? A -2.563 9.456 -0.075 1.000 1 A 41.580 1
ATOM 1885 H HA . PHE 113 113 ? A 0.026 8.442 0.951 1.000 1 A 41.580 1
ATOM 1886 H HB2 . PHE 113 113 ? A -1.269 7.177 -0.774 1.000 1 A 41.580 1
ATOM 1887 H HB3 . PHE 113 113 ? A -1.056 8.515 -1.891 1.000 1 A 41.580 1
ATOM 1888 H HD1 . PHE 113 113 ? A 1.101 8.864 -3.013 1.000 1 A 41.580 1
ATOM 1889 H HD2 . PHE 113 113 ? A 0.672 5.839 0.023 1.000 1 A 41.580 1
ATOM 1890 H HE1 . PHE 113 113 ? A 3.293 7.894 -3.664 1.000 1 A 41.580 1
ATOM 1891 H HE2 . PHE 113 113 ? A 2.881 4.901 -0.597 1.000 1 A 41.580 1
ATOM 1892 H HZ . PHE 113 113 ? A 4.188 5.916 -2.459 1.000 1 A 41.580 1
ATOM 1893 N N . GLN 114 114 ? A 1.170 10.653 0.695 1.000 1 A 42.890 1
ATOM 1894 C CA . GLN 114 114 ? A 2.112 11.727 0.396 1.000 1 A 42.890 1
ATOM 1895 C C . GLN 114 114 ? A 3.493 11.104 0.222 1.000 1 A 42.890 1
ATOM 1896 O O . GLN 114 114 ? A 4.147 10.704 1.187 1.000 1 A 42.890 1
ATOM 1897 C CB . GLN 114 114 ? A 2.077 12.821 1.477 1.000 1 A 42.890 1
ATOM 1898 C CG . GLN 114 114 ? A 0.814 13.691 1.361 1.000 1 A 42.890 1
ATOM 1899 C CD . GLN 114 114 ? A 0.768 14.840 2.368 1.000 1 A 42.890 1
ATOM 1900 O OE1 . GLN 114 114 ? A 1.536 14.943 3.311 1.000 1 A 42.890 1
ATOM 1901 N NE2 . GLN 114 114 ? A -0.177 15.744 2.234 1.000 1 A 42.890 1
ATOM 1902 H H . GLN 114 114 ? A 1.336 10.105 1.527 1.000 1 A 42.890 1
ATOM 1903 H HA . GLN 114 114 ? A 1.857 12.204 -0.550 1.000 1 A 42.890 1
ATOM 1904 H HB2 . GLN 114 114 ? A 2.948 13.463 1.349 1.000 1 A 42.890 1
ATOM 1905 H HB3 . GLN 114 114 ? A 2.127 12.364 2.466 1.000 1 A 42.890 1
ATOM 1906 H HG2 . GLN 114 114 ? A 0.766 14.113 0.358 1.000 1 A 42.890 1
ATOM 1907 H HG3 . GLN 114 114 ? A -0.070 13.070 1.509 1.000 1 A 42.890 1
ATOM 1908 H HE21 . GLN 114 114 ? A -0.806 15.708 1.445 1.000 1 A 42.890 1
ATOM 1909 H HE22 . GLN 114 114 ? A -0.143 16.516 2.884 1.000 1 A 42.890 1
ATOM 1910 N N . ALA 115 115 ? A 3.944 11.003 -1.026 1.000 1 A 42.030 1
ATOM 1911 C CA . ALA 115 115 ? A 5.360 10.818 -1.287 1.000 1 A 42.030 1
ATOM 1912 C C . ALA 115 115 ? A 6.041 12.169 -1.075 1.000 1 A 42.030 1
ATOM 1913 O O . ALA 115 115 ? A 5.969 13.059 -1.920 1.000 1 A 42.030 1
ATOM 1914 C CB . ALA 115 115 ? A 5.554 10.265 -2.694 1.000 1 A 42.030 1
ATOM 1915 H H . ALA 115 115 ? A 3.366 11.327 -1.788 1.000 1 A 42.030 1
ATOM 1916 H HA . ALA 115 115 ? A 5.786 10.101 -0.585 1.000 1 A 42.030 1
ATOM 1917 H HB1 . ALA 115 115 ? A 5.069 9.293 -2.773 1.000 1 A 42.030 1
ATOM 1918 H HB2 . ALA 115 115 ? A 5.135 10.961 -3.421 1.000 1 A 42.030 1
ATOM 1919 H HB3 . ALA 115 115 ? A 6.618 10.147 -2.897 1.000 1 A 42.030 1
ATOM 1920 N N . ASN 116 116 ? A 6.665 12.341 0.085 1.000 1 A 41.920 1
ATOM 1921 C CA . ASN 116 116 ? A 7.581 13.451 0.277 1.000 1 A 41.920 1
ATOM 1922 C C . ASN 116 116 ? A 8.890 13.085 -0.431 1.000 1 A 41.920 1
ATOM 1923 O O . ASN 116 116 ? A 9.724 12.386 0.143 1.000 1 A 41.920 1
ATOM 1924 C CB . ASN 116 116 ? A 7.798 13.716 1.773 1.000 1 A 41.920 1
ATOM 1925 C CG . ASN 116 116 ? A 6.727 14.516 2.473 1.000 1 A 41.920 1
ATOM 1926 O OD1 . ASN 116 116 ? A 5.674 14.839 1.955 1.000 1 A 41.920 1
ATOM 1927 N ND2 . ASN 116 116 ? A 7.003 14.896 3.700 1.000 1 A 41.920 1
ATOM 1928 H H . ASN 116 116 ? A 6.670 11.584 0.753 1.000 1 A 41.920 1
ATOM 1929 H HA . ASN 116 116 ? A 7.183 14.356 -0.182 1.000 1 A 41.920 1
ATOM 1930 H HB2 . ASN 116 116 ? A 7.974 12.781 2.306 1.000 1 A 41.920 1
ATOM 1931 H HB3 . ASN 116 116 ? A 8.694 14.330 1.860 1.000 1 A 41.920 1
ATOM 1932 H HD21 . ASN 116 116 ? A 7.972 14.879 3.984 1.000 1 A 41.920 1
ATOM 1933 H HD22 . ASN 116 116 ? A 6.352 15.564 4.086 1.000 1 A 41.920 1
ATOM 1934 N N . ILE 117 117 ? A 9.078 13.548 -1.668 1.000 1 A 39.520 1
ATOM 1935 C CA . ILE 117 117 ? A 10.411 13.581 -2.281 1.000 1 A 39.520 1
ATOM 1936 C C . ILE 117 117 ? A 11.132 14.785 -1.665 1.000 1 A 39.520 1
ATOM 1937 O O . ILE 117 117 ? A 11.101 15.884 -2.208 1.000 1 A 39.520 1
ATOM 1938 C CB . ILE 117 117 ? A 10.360 13.625 -3.830 1.000 1 A 39.520 1
ATOM 1939 C CG1 . ILE 117 117 ? A 9.429 12.527 -4.397 1.000 1 A 39.520 1
ATOM 1940 C CG2 . ILE 117 117 ? A 11.796 13.475 -4.376 1.000 1 A 39.520 1
ATOM 1941 C CD1 . ILE 117 117 ? A 9.330 12.496 -5.927 1.000 1 A 39.520 1
ATOM 1942 H H . ILE 117 117 ? A 8.324 14.039 -2.126 1.000 1 A 39.520 1
ATOM 1943 H HA . ILE 117 117 ? A 10.955 12.680 -1.999 1.000 1 A 39.520 1
ATOM 1944 H HB . ILE 117 117 ? A 9.965 14.590 -4.146 1.000 1 A 39.520 1
ATOM 1945 H HG12 . ILE 117 117 ? A 8.419 12.682 -4.019 1.000 1 A 39.520 1
ATOM 1946 H HG13 . ILE 117 117 ? A 9.770 11.553 -4.044 1.000 1 A 39.520 1
ATOM 1947 H HG21 . ILE 117 117 ? A 12.450 14.234 -3.947 1.000 1 A 39.520 1
ATOM 1948 H HG22 . ILE 117 117 ? A 12.194 12.490 -4.134 1.000 1 A 39.520 1
ATOM 1949 H HG23 . ILE 117 117 ? A 11.810 13.613 -5.457 1.000 1 A 39.520 1
ATOM 1950 H HD11 . ILE 117 117 ? A 8.579 11.765 -6.224 1.000 1 A 39.520 1
ATOM 1951 H HD12 . ILE 117 117 ? A 10.285 12.210 -6.368 1.000 1 A 39.520 1
ATOM 1952 H HD13 . ILE 117 117 ? A 9.036 13.477 -6.300 1.000 1 A 39.520 1
ATOM 1953 N N . GLU 118 118 ? A 11.701 14.611 -0.470 1.000 1 A 44.460 1
ATOM 1954 C CA . GLU 118 118 ? A 12.462 15.683 0.201 1.000 1 A 44.460 1
ATOM 1955 C C . GLU 118 118 ? A 13.833 15.880 -0.469 1.000 1 A 44.460 1
ATOM 1956 O O . GLU 118 118 ? A 14.407 16.964 -0.388 1.000 1 A 44.460 1
ATOM 1957 C CB . GLU 118 118 ? A 12.586 15.427 1.726 1.000 1 A 44.460 1
ATOM 1958 C CG . GLU 118 118 ? A 11.197 15.332 2.389 1.000 1 A 44.460 1
ATOM 1959 C CD . GLU 118 118 ? A 11.134 15.078 3.911 1.000 1 A 44.460 1
ATOM 1960 O OE1 . GLU 118 118 ? A 10.001 14.793 4.406 1.000 1 A 44.460 1
ATOM 1961 O OE2 . GLU 118 118 ? A 12.180 15.085 4.591 1.000 1 A 44.460 1
ATOM 1962 H H . GLU 118 118 ? A 11.610 13.714 -0.015 1.000 1 A 44.460 1
ATOM 1963 H HA . GLU 118 118 ? A 11.928 16.624 0.072 1.000 1 A 44.460 1
ATOM 1964 H HB2 . GLU 118 118 ? A 13.133 14.499 1.893 1.000 1 A 44.460 1
ATOM 1965 H HB3 . GLU 118 118 ? A 13.139 16.250 2.179 1.000 1 A 44.460 1
ATOM 1966 H HG2 . GLU 118 118 ? A 10.625 16.229 2.152 1.000 1 A 44.460 1
ATOM 1967 H HG3 . GLU 118 118 ? A 10.717 14.475 1.917 1.000 1 A 44.460 1
ATOM 1968 N N . ASN 119 119 ? A 14.334 14.857 -1.174 1.000 1 A 47.910 1
ATOM 1969 C CA . ASN 119 119 ? A 15.640 14.862 -1.818 1.000 1 A 47.910 1
ATOM 1970 C C . ASN 119 119 ? A 15.611 14.140 -3.181 1.000 1 A 47.910 1
ATOM 1971 O O . ASN 119 119 ? A 15.174 12.993 -3.283 1.000 1 A 47.910 1
ATOM 1972 C CB . ASN 119 119 ? A 16.629 14.220 -0.831 1.000 1 A 47.910 1
ATOM 1973 C CG . ASN 119 119 ? A 18.074 14.388 -1.238 1.000 1 A 47.910 1
ATOM 1974 O OD1 . ASN 119 119 ? A 18.391 14.882 -2.308 1.000 1 A 47.910 1
ATOM 1975 N ND2 . ASN 119 119 ? A 18.996 13.975 -0.406 1.000 1 A 47.910 1
ATOM 1976 H H . ASN 119 119 ? A 13.810 13.995 -1.205 1.000 1 A 47.910 1
ATOM 1977 H HA . ASN 119 119 ? A 15.947 15.894 -1.987 1.000 1 A 47.910 1
ATOM 1978 H HB2 . ASN 119 119 ? A 16.506 14.669 0.154 1.000 1 A 47.910 1
ATOM 1979 H HB3 . ASN 119 119 ? A 16.415 13.154 -0.750 1.000 1 A 47.910 1
ATOM 1980 H HD21 . ASN 119 119 ? A 19.946 14.041 -0.743 1.000 1 A 47.910 1
ATOM 1981 H HD22 . ASN 119 119 ? A 18.721 13.431 0.399 1.000 1 A 47.910 1
ATOM 1982 N N . MET 120 120 ? A 16.123 14.797 -4.227 1.000 1 A 49.520 1
ATOM 1983 C CA . MET 120 120 ? A 16.341 14.198 -5.554 1.000 1 A 49.520 1
ATOM 1984 C C . MET 120 120 ? A 17.325 13.016 -5.503 1.000 1 A 49.520 1
ATOM 1985 O O . MET 120 120 ? A 17.195 12.085 -6.295 1.000 1 A 49.520 1
ATOM 1986 C CB . MET 120 120 ? A 16.898 15.265 -6.509 1.000 1 A 49.520 1
ATOM 1987 C CG . MET 120 120 ? A 15.847 16.239 -7.053 1.000 1 A 49.520 1
ATOM 1988 S SD . MET 120 120 ? A 14.991 15.653 -8.545 1.000 1 A 49.520 1
ATOM 1989 C CE . MET 120 120 ? A 14.910 17.203 -9.484 1.000 1 A 49.520 1
ATOM 1990 H H . MET 120 120 ? A 16.543 15.698 -4.045 1.000 1 A 49.520 1
ATOM 1991 H HA . MET 120 120 ? A 15.398 13.819 -5.948 1.000 1 A 49.520 1
ATOM 1992 H HB2 . MET 120 120 ? A 17.374 14.778 -7.360 1.000 1 A 49.520 1
ATOM 1993 H HB3 . MET 120 120 ? A 17.670 15.832 -5.989 1.000 1 A 49.520 1
ATOM 1994 H HG2 . MET 120 120 ? A 15.116 16.475 -6.279 1.000 1 A 49.520 1
ATOM 1995 H HG3 . MET 120 120 ? A 16.369 17.160 -7.311 1.000 1 A 49.520 1
ATOM 1996 H HE1 . MET 120 120 ? A 14.363 17.950 -8.909 1.000 1 A 49.520 1
ATOM 1997 H HE2 . MET 120 120 ? A 14.395 17.026 -10.428 1.000 1 A 49.520 1
ATOM 1998 H HE3 . MET 120 120 ? A 15.919 17.562 -9.685 1.000 1 A 49.520 1
ATOM 1999 N N . ASP 121 121 ? A 18.271 13.009 -4.560 1.000 1 A 50.910 1
ATOM 2000 C CA . ASP 121 121 ? A 19.194 11.883 -4.383 1.000 1 A 50.910 1
ATOM 2001 C C . ASP 121 121 ? A 18.475 10.630 -3.866 1.000 1 A 50.910 1
ATOM 2002 O O . ASP 121 121 ? A 18.858 9.517 -4.220 1.000 1 A 50.910 1
ATOM 2003 C CB . ASP 121 121 ? A 20.309 12.226 -3.385 1.000 1 A 50.910 1
ATOM 2004 C CG . ASP 121 121 ? A 21.299 13.303 -3.827 1.000 1 A 50.910 1
ATOM 2005 O OD1 . ASP 121 121 ? A 21.347 13.629 -5.032 1.000 1 A 50.910 1
ATOM 2006 O OD2 . ASP 121 121 ? A 22.060 13.728 -2.927 1.000 1 A 50.910 1
ATOM 2007 H H . ASP 121 121 ? A 18.386 13.815 -3.961 1.000 1 A 50.910 1
ATOM 2008 H HA . ASP 121 121 ? A 19.652 11.640 -5.342 1.000 1 A 50.910 1
ATOM 2009 H HB2 . ASP 121 121 ? A 20.886 11.319 -3.202 1.000 1 A 50.910 1
ATOM 2010 H HB3 . ASP 121 121 ? A 19.860 12.511 -2.434 1.000 1 A 50.910 1
ATOM 2011 N N . ASP 122 122 ? A 17.433 10.787 -3.041 1.000 1 A 45.920 1
ATOM 2012 C CA . ASP 122 122 ? A 16.650 9.655 -2.526 1.000 1 A 45.920 1
ATOM 2013 C C . ASP 122 122 ? A 15.796 9.030 -3.632 1.000 1 A 45.920 1
ATOM 2014 O O . ASP 122 122 ? A 15.641 7.810 -3.671 1.000 1 A 45.920 1
ATOM 2015 C CB . ASP 122 122 ? A 15.775 10.081 -1.336 1.000 1 A 45.920 1
ATOM 2016 C CG . ASP 122 122 ? A 16.577 10.422 -0.074 1.000 1 A 45.920 1
ATOM 2017 O OD1 . ASP 122 122 ? A 17.718 9.919 0.073 1.000 1 A 45.920 1
ATOM 2018 O OD2 . ASP 122 122 ? A 16.050 11.209 0.744 1.000 1 A 45.920 1
ATOM 2019 H H . ASP 122 122 ? A 17.128 11.722 -2.815 1.000 1 A 45.920 1
ATOM 2020 H HA . ASP 122 122 ? A 17.334 8.879 -2.180 1.000 1 A 45.920 1
ATOM 2021 H HB2 . ASP 122 122 ? A 15.104 9.257 -1.089 1.000 1 A 45.920 1
ATOM 2022 H HB3 . ASP 122 122 ? A 15.160 10.933 -1.624 1.000 1 A 45.920 1
ATOM 2023 N N . LEU 123 123 ? A 15.329 9.853 -4.582 1.000 1 A 39.180 1
ATOM 2024 C CA . LEU 123 123 ? A 14.757 9.384 -5.841 1.000 1 A 39.180 1
ATOM 2025 C C . LEU 123 123 ? A 15.813 8.569 -6.606 1.000 1 A 39.180 1
ATOM 2026 O O . LEU 123 123 ? A 15.639 7.373 -6.787 1.000 1 A 39.180 1
ATOM 2027 C CB . LEU 123 123 ? A 14.202 10.591 -6.633 1.000 1 A 39.180 1
ATOM 2028 C CG . LEU 123 123 ? A 13.463 10.248 -7.939 1.000 1 A 39.180 1
ATOM 2029 C CD1 . LEU 123 123 ? A 12.085 9.676 -7.660 1.000 1 A 39.180 1
ATOM 2030 C CD2 . LEU 123 123 ? A 13.254 11.500 -8.789 1.000 1 A 39.180 1
ATOM 2031 H H . LEU 123 123 ? A 15.510 10.840 -4.470 1.000 1 A 39.180 1
ATOM 2032 H HA . LEU 123 123 ? A 13.936 8.707 -5.606 1.000 1 A 39.180 1
ATOM 2033 H HB2 . LEU 123 123 ? A 13.532 11.160 -5.989 1.000 1 A 39.180 1
ATOM 2034 H HB3 . LEU 123 123 ? A 15.033 11.246 -6.894 1.000 1 A 39.180 1
ATOM 2035 H HG . LEU 123 123 ? A 14.047 9.531 -8.516 1.000 1 A 39.180 1
ATOM 2036 H HD11 . LEU 123 123 ? A 12.220 8.766 -7.075 1.000 1 A 39.180 1
ATOM 2037 H HD12 . LEU 123 123 ? A 11.476 10.400 -7.119 1.000 1 A 39.180 1
ATOM 2038 H HD13 . LEU 123 123 ? A 11.586 9.430 -8.597 1.000 1 A 39.180 1
ATOM 2039 H HD21 . LEU 123 123 ? A 14.221 11.934 -9.043 1.000 1 A 39.180 1
ATOM 2040 H HD22 . LEU 123 123 ? A 12.738 11.237 -9.712 1.000 1 A 39.180 1
ATOM 2041 H HD23 . LEU 123 123 ? A 12.667 12.236 -8.240 1.000 1 A 39.180 1
ATOM 2042 N N . GLN 124 124 ? A 16.960 9.147 -6.971 1.000 1 A 42.440 1
ATOM 2043 C CA . GLN 124 124 ? A 17.975 8.437 -7.772 1.000 1 A 42.440 1
ATOM 2044 C C . GLN 124 124 ? A 18.504 7.140 -7.133 1.000 1 A 42.440 1
ATOM 2045 O O . GLN 124 124 ? A 18.912 6.230 -7.850 1.000 1 A 42.440 1
ATOM 2046 C CB . GLN 124 124 ? A 19.156 9.371 -8.057 1.000 1 A 42.440 1
ATOM 2047 C CG . GLN 124 124 ? A 18.782 10.493 -9.032 1.000 1 A 42.440 1
ATOM 2048 C CD . GLN 124 124 ? A 19.981 11.348 -9.428 1.000 1 A 42.440 1
ATOM 2049 O OE1 . GLN 124 124 ? A 21.114 11.149 -9.024 1.000 1 A 42.440 1
ATOM 2050 N NE2 . GLN 124 124 ? A 19.783 12.339 -10.268 1.000 1 A 42.440 1
ATOM 2051 H H . GLN 124 124 ? A 17.115 10.116 -6.730 1.000 1 A 42.440 1
ATOM 2052 H HA . GLN 124 124 ? A 17.527 8.145 -8.722 1.000 1 A 42.440 1
ATOM 2053 H HB2 . GLN 124 124 ? A 19.521 9.798 -7.123 1.000 1 A 42.440 1
ATOM 2054 H HB3 . GLN 124 124 ? A 19.959 8.785 -8.505 1.000 1 A 42.440 1
ATOM 2055 H HG2 . GLN 124 124 ? A 18.362 10.055 -9.937 1.000 1 A 42.440 1
ATOM 2056 H HG3 . GLN 124 124 ? A 18.028 11.140 -8.584 1.000 1 A 42.440 1
ATOM 2057 H HE21 . GLN 124 124 ? A 18.854 12.547 -10.605 1.000 1 A 42.440 1
ATOM 2058 H HE22 . GLN 124 124 ? A 20.599 12.902 -10.463 1.000 1 A 42.440 1
ATOM 2059 N N . LYS 125 125 ? A 18.490 7.038 -5.799 1.000 1 A 49.300 1
ATOM 2060 C CA . LYS 125 125 ? A 18.944 5.854 -5.052 1.000 1 A 49.300 1
ATOM 2061 C C . LYS 125 125 ? A 17.891 4.757 -4.884 1.000 1 A 49.300 1
ATOM 2062 O O . LYS 125 125 ? A 18.190 3.766 -4.228 1.000 1 A 49.300 1
ATOM 2063 C CB . LYS 125 125 ? A 19.486 6.295 -3.686 1.000 1 A 49.300 1
ATOM 2064 C CG . LYS 125 125 ? A 20.829 7.019 -3.818 1.000 1 A 49.300 1
ATOM 2065 C CD . LYS 125 125 ? A 21.216 7.615 -2.465 1.000 1 A 49.300 1
ATOM 2066 C CE . LYS 125 125 ? A 22.484 8.451 -2.631 1.000 1 A 49.300 1
ATOM 2067 N NZ . LYS 125 125 ? A 22.720 9.284 -1.431 1.000 1 A 49.300 1
ATOM 2068 H H . LYS 125 125 ? A 18.194 7.850 -5.277 1.000 1 A 49.300 1
ATOM 2069 H HA . LYS 125 125 ? A 19.751 5.378 -5.609 1.000 1 A 49.300 1
ATOM 2070 H HB2 . LYS 125 125 ? A 18.749 6.940 -3.206 1.000 1 A 49.300 1
ATOM 2071 H HB3 . LYS 125 125 ? A 19.642 5.424 -3.050 1.000 1 A 49.300 1
ATOM 2072 H HG2 . LYS 125 125 ? A 20.758 7.816 -4.558 1.000 1 A 49.300 1
ATOM 2073 H HG3 . LYS 125 125 ? A 21.593 6.312 -4.142 1.000 1 A 49.300 1
ATOM 2074 H HD2 . LYS 125 125 ? A 20.403 8.257 -2.126 1.000 1 A 49.300 1
ATOM 2075 H HD3 . LYS 125 125 ? A 21.376 6.818 -1.739 1.000 1 A 49.300 1
ATOM 2076 H HE2 . LYS 125 125 ? A 23.328 7.791 -2.832 1.000 1 A 49.300 1
ATOM 2077 H HE3 . LYS 125 125 ? A 22.346 9.097 -3.498 1.000 1 A 49.300 1
ATOM 2078 H HZ1 . LYS 125 125 ? A 22.867 8.713 -0.611 1.000 1 A 49.300 1
ATOM 2079 H HZ2 . LYS 125 125 ? A 23.503 9.904 -1.582 1.000 1 A 49.300 1
ATOM 2080 H HZ3 . LYS 125 125 ? A 21.909 9.866 -1.278 1.000 1 A 49.300 1
ATOM 2081 N N . GLY 126 126 ? A 16.672 4.916 -5.402 1.000 1 A 38.650 1
ATOM 2082 C CA . GLY 126 126 ? A 15.621 3.916 -5.179 1.000 1 A 38.650 1
ATOM 2083 C C . GLY 126 126 ? A 14.932 4.011 -3.811 1.000 1 A 38.650 1
ATOM 2084 O O . GLY 126 126 ? A 14.133 3.147 -3.468 1.000 1 A 38.650 1
ATOM 2085 H H . GLY 126 126 ? A 16.465 5.745 -5.940 1.000 1 A 38.650 1
ATOM 2086 H HA2 . GLY 126 126 ? A 14.879 3.978 -5.975 1.000 1 A 38.650 1
ATOM 2087 H HA3 . GLY 126 126 ? A 16.059 2.920 -5.246 1.000 1 A 38.650 1
ATOM 2088 N N . ASN 127 127 ? A 15.230 5.044 -3.017 1.000 1 A 38.500 1
ATOM 2089 C CA . ASN 127 127 ? A 14.821 5.179 -1.617 1.000 1 A 38.500 1
ATOM 2090 C C . ASN 127 127 ? A 13.605 6.102 -1.453 1.000 1 A 38.500 1
ATOM 2091 O O . ASN 127 127 ? A 13.550 6.918 -0.530 1.000 1 A 38.500 1
ATOM 2092 C CB . ASN 127 127 ? A 16.025 5.638 -0.774 1.000 1 A 38.500 1
ATOM 2093 C CG . ASN 127 127 ? A 17.097 4.582 -0.621 1.000 1 A 38.500 1
ATOM 2094 O OD1 . ASN 127 127 ? A 16.856 3.391 -0.569 1.000 1 A 38.500 1
ATOM 2095 N ND2 . ASN 127 127 ? A 18.332 4.996 -0.466 1.000 1 A 38.500 1
ATOM 2096 H H . ASN 127 127 ? A 15.767 5.801 -3.415 1.000 1 A 38.500 1
ATOM 2097 H HA . ASN 127 127 ? A 14.508 4.201 -1.251 1.000 1 A 38.500 1
ATOM 2098 H HB2 . ASN 127 127 ? A 16.449 6.539 -1.217 1.000 1 A 38.500 1
ATOM 2099 H HB3 . ASN 127 127 ? A 15.693 5.885 0.235 1.000 1 A 38.500 1
ATOM 2100 H HD21 . ASN 127 127 ? A 18.528 5.986 -0.504 1.000 1 A 38.500 1
ATOM 2101 H HD22 . ASN 127 127 ? A 19.025 4.261 -0.457 1.000 1 A 38.500 1
ATOM 2102 N N . LEU 128 128 ? A 12.609 6.005 -2.338 1.000 1 A 41.440 1
ATOM 2103 C CA . LEU 128 128 ? A 11.392 6.789 -2.163 1.000 1 A 41.440 1
ATOM 2104 C C . LEU 128 128 ? A 10.545 6.214 -1.038 1.000 1 A 41.440 1
ATOM 2105 O O . LEU 128 128 ? A 9.907 5.178 -1.203 1.000 1 A 41.440 1
ATOM 2106 C CB . LEU 128 128 ? A 10.555 6.829 -3.436 1.000 1 A 41.440 1
ATOM 2107 C CG . LEU 128 128 ? A 11.114 7.677 -4.576 1.000 1 A 41.440 1
ATOM 2108 C CD1 . LEU 128 128 ? A 10.098 7.506 -5.695 1.000 1 A 41.440 1
ATOM 2109 C CD2 . LEU 128 128 ? A 11.172 9.146 -4.158 1.000 1 A 41.440 1
ATOM 2110 H H . LEU 128 128 ? A 12.644 5.286 -3.046 1.000 1 A 41.440 1
ATOM 2111 H HA . LEU 128 128 ? A 11.660 7.810 -1.888 1.000 1 A 41.440 1
ATOM 2112 H HB2 . LEU 128 128 ? A 9.574 7.222 -3.168 1.000 1 A 41.440 1
ATOM 2113 H HB3 . LEU 128 128 ? A 10.391 5.810 -3.786 1.000 1 A 41.440 1
ATOM 2114 H HG . LEU 128 128 ? A 12.094 7.324 -4.898 1.000 1 A 41.440 1
ATOM 2115 H HD11 . LEU 128 128 ? A 9.112 7.770 -5.314 1.000 1 A 41.440 1
ATOM 2116 H HD12 . LEU 128 128 ? A 10.095 6.467 -6.022 1.000 1 A 41.440 1
ATOM 2117 H HD13 . LEU 128 128 ? A 10.294 8.163 -6.542 1.000 1 A 41.440 1
ATOM 2118 H HD21 . LEU 128 128 ? A 11.997 9.297 -3.462 1.000 1 A 41.440 1
ATOM 2119 H HD22 . LEU 128 128 ? A 11.350 9.785 -5.023 1.000 1 A 41.440 1
ATOM 2120 H HD23 . LEU 128 128 ? A 10.233 9.430 -3.683 1.000 1 A 41.440 1
ATOM 2121 N N . ILE 129 129 ? A 10.469 6.929 0.082 1.000 1 A 43.880 1
ATOM 2122 C CA . ILE 129 129 ? A 9.524 6.621 1.153 1.000 1 A 43.880 1
ATOM 2123 C C . ILE 129 129 ? A 8.184 7.295 0.834 1.000 1 A 43.880 1
ATOM 2124 O O . ILE 129 129 ? A 7.980 8.483 1.090 1.000 1 A 43.880 1
ATOM 2125 C CB . ILE 129 129 ? A 10.089 7.020 2.535 1.000 1 A 43.880 1
ATOM 2126 C CG1 . ILE 129 129 ? A 11.413 6.278 2.830 1.000 1 A 43.880 1
ATOM 2127 C CG2 . ILE 129 129 ? A 9.053 6.667 3.617 1.000 1 A 43.880 1
ATOM 2128 C CD1 . ILE 129 129 ? A 12.153 6.771 4.079 1.000 1 A 43.880 1
ATOM 2129 H H . ILE 129 129 ? A 11.081 7.727 0.174 1.000 1 A 43.880 1
ATOM 2130 H HA . ILE 129 129 ? A 9.359 5.544 1.172 1.000 1 A 43.880 1
ATOM 2131 H HB . ILE 129 129 ? A 10.273 8.094 2.549 1.000 1 A 43.880 1
ATOM 2132 H HG12 . ILE 129 129 ? A 12.097 6.393 1.990 1.000 1 A 43.880 1
ATOM 2133 H HG13 . ILE 129 129 ? A 11.195 5.218 2.957 1.000 1 A 43.880 1
ATOM 2134 H HG21 . ILE 129 129 ? A 8.128 7.222 3.465 1.000 1 A 43.880 1
ATOM 2135 H HG22 . ILE 129 129 ? A 8.834 5.601 3.553 1.000 1 A 43.880 1
ATOM 2136 H HG23 . ILE 129 129 ? A 9.430 6.904 4.612 1.000 1 A 43.880 1
ATOM 2137 H HD11 . ILE 129 129 ? A 11.591 6.532 4.982 1.000 1 A 43.880 1
ATOM 2138 H HD12 . ILE 129 129 ? A 13.123 6.277 4.135 1.000 1 A 43.880 1
ATOM 2139 H HD13 . ILE 129 129 ? A 12.309 7.848 4.016 1.000 1 A 43.880 1
ATOM 2140 N N . GLY 130 130 ? A 7.226 6.524 0.326 1.000 1 A 44.650 1
ATOM 2141 C CA . GLY 130 130 ? A 5.817 6.890 0.389 1.000 1 A 44.650 1
ATOM 2142 C C . GLY 130 130 ? A 5.364 6.886 1.849 1.000 1 A 44.650 1
ATOM 2143 O O . GLY 130 130 ? A 5.273 5.821 2.464 1.000 1 A 44.650 1
ATOM 2144 H H . GLY 130 130 ? A 7.459 5.567 0.103 1.000 1 A 44.650 1
ATOM 2145 H HA2 . GLY 130 130 ? A 5.660 7.875 -0.052 1.000 1 A 44.650 1
ATOM 2146 H HA3 . GLY 130 130 ? A 5.229 6.154 -0.159 1.000 1 A 44.650 1
ATOM 2147 N N . LYS 131 131 ? A 5.092 8.062 2.428 1.000 1 A 43.770 1
ATOM 2148 C CA . LYS 131 131 ? A 4.570 8.176 3.797 1.000 1 A 43.770 1
ATOM 2149 C C . LYS 131 131 ? A 3.048 8.080 3.742 1.000 1 A 43.770 1
ATOM 2150 O O . LYS 131 131 ? A 2.370 8.933 3.170 1.000 1 A 43.770 1
ATOM 2151 C CB . LYS 131 131 ? A 5.064 9.466 4.483 1.000 1 A 43.770 1
ATOM 2152 C CG . LYS 131 131 ? A 6.577 9.441 4.784 1.000 1 A 43.770 1
ATOM 2153 C CD . LYS 131 131 ? A 7.081 10.758 5.406 1.000 1 A 43.770 1
ATOM 2154 C CE . LYS 131 131 ? A 8.611 10.722 5.598 1.000 1 A 43.770 1
ATOM 2155 N NZ . LYS 131 131 ? A 9.220 12.068 5.842 1.000 1 A 43.770 1
ATOM 2156 H H . LYS 131 131 ? A 5.160 8.903 1.872 1.000 1 A 43.770 1
ATOM 2157 H HA . LYS 131 131 ? A 4.933 7.331 4.382 1.000 1 A 43.770 1
ATOM 2158 H HB2 . LYS 131 131 ? A 4.834 10.320 3.847 1.000 1 A 43.770 1
ATOM 2159 H HB3 . LYS 131 131 ? A 4.527 9.588 5.424 1.000 1 A 43.770 1
ATOM 2160 H HG2 . LYS 131 131 ? A 7.115 9.282 3.849 1.000 1 A 43.770 1
ATOM 2161 H HG3 . LYS 131 131 ? A 6.797 8.614 5.459 1.000 1 A 43.770 1
ATOM 2162 H HD2 . LYS 131 131 ? A 6.590 10.926 6.365 1.000 1 A 43.770 1
ATOM 2163 H HD3 . LYS 131 131 ? A 6.827 11.573 4.728 1.000 1 A 43.770 1
ATOM 2164 H HE2 . LYS 131 131 ? A 9.050 10.305 4.692 1.000 1 A 43.770 1
ATOM 2165 H HE3 . LYS 131 131 ? A 8.850 10.036 6.411 1.000 1 A 43.770 1
ATOM 2166 H HZ1 . LYS 131 131 ? A 10.224 12.005 5.928 1.000 1 A 43.770 1
ATOM 2167 H HZ2 . LYS 131 131 ? A 9.105 12.697 5.061 1.000 1 A 43.770 1
ATOM 2168 H HZ3 . LYS 131 131 ? A 8.858 12.534 6.662 1.000 1 A 43.770 1
ATOM 2169 N N . MET 132 132 ? A 2.508 7.032 4.355 1.000 1 A 44.040 1
ATOM 2170 C CA . MET 132 132 ? A 1.073 6.801 4.437 1.000 1 A 44.040 1
ATOM 2171 C C . MET 132 132 ? A 0.535 7.269 5.792 1.000 1 A 44.040 1
ATOM 2172 O O . MET 132 132 ? A 0.886 6.704 6.833 1.000 1 A 44.040 1
ATOM 2173 C CB . MET 132 132 ? A 0.819 5.311 4.191 1.000 1 A 44.040 1
ATOM 2174 C CG . MET 132 132 ? A -0.653 5.068 3.957 1.000 1 A 44.040 1
ATOM 2175 S SD . MET 132 132 ? A -1.065 3.401 3.392 1.000 1 A 44.040 1
ATOM 2176 C CE . MET 132 132 ? A -0.745 3.683 1.625 1.000 1 A 44.040 1
ATOM 2177 H H . MET 132 132 ? A 3.118 6.320 4.730 1.000 1 A 44.040 1
ATOM 2178 H HA . MET 132 132 ? A 0.572 7.365 3.650 1.000 1 A 44.040 1
ATOM 2179 H HB2 . MET 132 132 ? A 1.376 4.987 3.312 1.000 1 A 44.040 1
ATOM 2180 H HB3 . MET 132 132 ? A 1.129 4.722 5.054 1.000 1 A 44.040 1
ATOM 2181 H HG2 . MET 132 132 ? A -1.208 5.281 4.870 1.000 1 A 44.040 1
ATOM 2182 H HG3 . MET 132 132 ? A -0.934 5.775 3.176 1.000 1 A 44.040 1
ATOM 2183 H HE1 . MET 132 132 ? A -1.295 2.959 1.024 1.000 1 A 44.040 1
ATOM 2184 H HE2 . MET 132 132 ? A -1.084 4.676 1.330 1.000 1 A 44.040 1
ATOM 2185 H HE3 . MET 132 132 ? A 0.323 3.593 1.425 1.000 1 A 44.040 1
ATOM 2186 N N . ASN 133 133 ? A -0.333 8.284 5.792 1.000 1 A 41.560 1
ATOM 2187 C CA . ASN 133 133 ? A -1.051 8.692 7.000 1.000 1 A 41.560 1
ATOM 2188 C C . ASN 133 133 ? A -2.432 8.032 7.023 1.000 1 A 41.560 1
ATOM 2189 O O . ASN 133 133 ? A -3.297 8.344 6.207 1.000 1 A 41.560 1
ATOM 2190 C CB . ASN 133 133 ? A -1.130 10.221 7.100 1.000 1 A 41.560 1
ATOM 2191 C CG . ASN 133 133 ? A 0.220 10.866 7.368 1.000 1 A 41.560 1
ATOM 2192 O OD1 . ASN 133 133 ? A 0.925 10.554 8.322 1.000 1 A 41.560 1
ATOM 2193 N ND2 . ASN 133 133 ? A 0.604 11.814 6.545 1.000 1 A 41.560 1
ATOM 2194 H H . ASN 133 133 ? A -0.596 8.701 4.910 1.000 1 A 41.560 1
ATOM 2195 H HA . ASN 133 133 ? A -0.509 8.346 7.880 1.000 1 A 41.560 1
ATOM 2196 H HB2 . ASN 133 133 ? A -1.792 10.492 7.922 1.000 1 A 41.560 1
ATOM 2197 H HB3 . ASN 133 133 ? A -1.559 10.616 6.179 1.000 1 A 41.560 1
ATOM 2198 H HD21 . ASN 133 133 ? A 1.524 12.212 6.666 1.000 1 A 41.560 1
ATOM 2199 H HD22 . ASN 133 133 ? A 0.068 12.011 5.712 1.000 1 A 41.560 1
ATOM 2200 N N . ILE 134 134 ? A -2.629 7.131 7.981 1.000 1 A 38.980 1
ATOM 2201 C CA . ILE 134 134 ? A -3.913 6.494 8.268 1.000 1 A 38.980 1
ATOM 2202 C C . ILE 134 134 ? A -4.718 7.447 9.159 1.000 1 A 38.980 1
ATOM 2203 O O . ILE 134 134 ? A -4.354 7.648 10.318 1.000 1 A 38.980 1
ATOM 2204 C CB . ILE 134 134 ? A -3.645 5.113 8.918 1.000 1 A 38.980 1
ATOM 2205 C CG1 . ILE 134 134 ? A -2.856 4.203 7.939 1.000 1 A 38.980 1
ATOM 2206 C CG2 . ILE 134 134 ? A -4.938 4.417 9.357 1.000 1 A 38.980 1
ATOM 2207 C CD1 . ILE 134 134 ? A -2.658 2.753 8.405 1.000 1 A 38.980 1
ATOM 2208 H H . ILE 134 134 ? A -1.862 6.914 8.601 1.000 1 A 38.980 1
ATOM 2209 H HA . ILE 134 134 ? A -4.473 6.343 7.345 1.000 1 A 38.980 1
ATOM 2210 H HB . ILE 134 134 ? A -3.037 5.266 9.809 1.000 1 A 38.980 1
ATOM 2211 H HG12 . ILE 134 134 ? A -1.866 4.630 7.777 1.000 1 A 38.980 1
ATOM 2212 H HG13 . ILE 134 134 ? A -3.370 4.176 6.978 1.000 1 A 38.980 1
ATOM 2213 H HG21 . ILE 134 134 ? A -5.387 3.949 8.481 1.000 1 A 38.980 1
ATOM 2214 H HG22 . ILE 134 134 ? A -5.638 5.108 9.826 1.000 1 A 38.980 1
ATOM 2215 H HG23 . ILE 134 134 ? A -4.706 3.638 10.084 1.000 1 A 38.980 1
ATOM 2216 H HD11 . ILE 134 134 ? A -2.264 2.731 9.421 1.000 1 A 38.980 1
ATOM 2217 H HD12 . ILE 134 134 ? A -3.604 2.213 8.374 1.000 1 A 38.980 1
ATOM 2218 H HD13 . ILE 134 134 ? A -1.955 2.254 7.737 1.000 1 A 38.980 1
ATOM 2219 N N . LYS 135 135 ? A -5.791 8.050 8.631 1.000 1 A 40.590 1
ATOM 2220 C CA . LYS 135 135 ? A -6.776 8.787 9.437 1.000 1 A 40.590 1
ATOM 2221 C C . LYS 135 135 ? A -8.009 7.903 9.617 1.000 1 A 40.590 1
ATOM 2222 O O . LYS 135 135 ? A -8.685 7.576 8.641 1.000 1 A 40.590 1
ATOM 2223 C CB . LYS 135 135 ? A -7.130 10.136 8.787 1.000 1 A 40.590 1
ATOM 2224 C CG . LYS 135 135 ? A -5.978 11.158 8.818 1.000 1 A 40.590 1
ATOM 2225 C CD . LYS 135 135 ? A -6.375 12.417 8.033 1.000 1 A 40.590 1
ATOM 2226 C CE . LYS 135 135 ? A -5.216 13.413 7.898 1.000 1 A 40.590 1
ATOM 2227 N NZ . LYS 135 135 ? A -5.365 14.240 6.669 1.000 1 A 40.590 1
ATOM 2228 H H . LYS 135 135 ? A -6.020 7.875 7.663 1.000 1 A 40.590 1
ATOM 2229 H HA . LYS 135 135 ? A -6.373 8.989 10.430 1.000 1 A 40.590 1
ATOM 2230 H HB2 . LYS 135 135 ? A -7.984 10.561 9.314 1.000 1 A 40.590 1
ATOM 2231 H HB3 . LYS 135 135 ? A -7.429 9.954 7.754 1.000 1 A 40.590 1
ATOM 2232 H HG2 . LYS 135 135 ? A -5.748 11.422 9.850 1.000 1 A 40.590 1
ATOM 2233 H HG3 . LYS 135 135 ? A -5.093 10.718 8.357 1.000 1 A 40.590 1
ATOM 2234 H HD2 . LYS 135 135 ? A -7.225 12.901 8.514 1.000 1 A 40.590 1
ATOM 2235 H HD3 . LYS 135 135 ? A -6.680 12.098 7.036 1.000 1 A 40.590 1
ATOM 2236 H HE2 . LYS 135 135 ? A -4.286 12.849 7.832 1.000 1 A 40.590 1
ATOM 2237 H HE3 . LYS 135 135 ? A -5.177 14.037 8.791 1.000 1 A 40.590 1
ATOM 2238 H HZ1 . LYS 135 135 ? A -4.635 14.933 6.580 1.000 1 A 40.590 1
ATOM 2239 H HZ2 . LYS 135 135 ? A -6.268 14.689 6.617 1.000 1 A 40.590 1
ATOM 2240 H HZ3 . LYS 135 135 ? A -5.287 13.676 5.835 1.000 1 A 40.590 1
ATOM 2241 N N . GLU 136 136 ? A -8.280 7.500 10.855 1.000 1 A 35.650 1
ATOM 2242 C CA . GLU 136 136 ? A -9.571 6.908 11.216 1.000 1 A 35.650 1
ATOM 2243 C C . GLU 136 136 ? A -10.637 8.012 11.161 1.000 1 A 35.650 1
ATOM 2244 O O . GLU 136 136 ? A -10.442 9.088 11.733 1.000 1 A 35.650 1
ATOM 2245 C CB . GLU 136 136 ? A -9.502 6.227 12.599 1.000 1 A 35.650 1
ATOM 2246 C CG . GLU 136 136 ? A -8.630 4.955 12.579 1.000 1 A 35.650 1
ATOM 2247 C CD . GLU 136 136 ? A -8.584 4.187 13.917 1.000 1 A 35.650 1
ATOM 2248 O OE1 . GLU 136 136 ? A -8.191 2.993 13.882 1.000 1 A 35.650 1
ATOM 2249 O OE2 . GLU 136 136 ? A -8.883 4.783 14.974 1.000 1 A 35.650 1
ATOM 2250 H H . GLU 136 136 ? A -7.688 7.808 11.614 1.000 1 A 35.650 1
ATOM 2251 H HA . GLU 136 136 ? A -9.841 6.149 10.482 1.000 1 A 35.650 1
ATOM 2252 H HB2 . GLU 136 136 ? A -10.513 5.945 12.896 1.000 1 A 35.650 1
ATOM 2253 H HB3 . GLU 136 136 ? A -9.107 6.933 13.329 1.000 1 A 35.650 1
ATOM 2254 H HG2 . GLU 136 136 ? A -7.612 5.231 12.303 1.000 1 A 35.650 1
ATOM 2255 H HG3 . GLU 136 136 ? A -9.011 4.291 11.803 1.000 1 A 35.650 1
ATOM 2256 N N . GLY 137 137 ? A -11.711 7.770 10.407 1.000 1 A 34.210 1
ATOM 2257 C CA . GLY 137 137 ? A -12.921 8.594 10.384 1.000 1 A 34.210 1
ATOM 2258 C C . GLY 137 137 ? A -14.058 7.927 11.138 1.000 1 A 34.210 1
ATOM 2259 O O . GLY 137 137 ? A -14.029 6.679 11.258 1.000 1 A 34.210 1
ATOM 2260 O OXT . GLY 137 137 ? A -14.963 8.693 11.524 1.000 1 A 34.210 1
ATOM 2261 H H . GLY 137 137 ? A -11.831 6.838 10.036 1.000 1 A 34.210 1
ATOM 2262 H HA2 . GLY 137 137 ? A -12.742 9.561 10.854 1.000 1 A 34.210 1
ATOM 2263 H HA3 . GLY 137 137 ? A -13.253 8.745 9.357 1.000 1 A 34.210 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 51.592

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 27.340
2 1 A 2 GLU 2 27.250
3 1 A 3 ALA 2 34.490
4 1 A 4 VAL 2 28.270
5 1 A 5 LEU 2 31.020
6 1 A 6 THR 2 39.870
7 1 A 7 LYS 2 45.230
8 1 A 8 LEU 2 48.790
9 1 A 9 ASP 2 61.350
10 1 A 10 GLN 2 63.120
11 1 A 11 GLU 2 67.410
12 1 A 12 GLU 2 56.760
13 1 A 13 LYS 2 55.560
14 1 A 14 LYS 2 62.670
15 1 A 15 ALA 2 63.750
16 1 A 16 LEU 2 52.730
17 1 A 17 GLN 2 55.490
18 1 A 18 ASN 2 63.010
19 1 A 19 PHE 2 56.570
20 1 A 20 HIS 2 51.980
21 1 A 21 ARG 2 53.540
22 1 A 22 CYS 2 54.350
23 1 A 23 ALA 2 50.990
24 1 A 24 TRP 2 53.270
25 1 A 25 GLU 2 59.010
26 1 A 26 GLU 2 56.670
27 1 A 27 THR 2 51.390
28 1 A 28 LYS 2 54.720
29 1 A 29 ASN 2 59.210
30 1 A 30 ILE 2 54.200
31 1 A 31 ILE 2 48.460
32 1 A 32 ASN 2 55.330
33 1 A 33 ASP 2 57.630
34 1 A 34 PHE 2 44.900
35 1 A 35 LEU 2 46.480
36 1 A 36 GLU 2 50.350
37 1 A 37 ILE 2 45.950
38 1 A 38 PRO 2 45.550
39 1 A 39 GLU 2 49.620
40 1 A 40 GLU 2 51.460
41 1 A 41 ARG 2 55.350
42 1 A 42 CYS 2 48.800
43 1 A 43 THR 2 54.850
44 1 A 44 TYR 2 51.190
45 1 A 45 LYS 2 53.460
46 1 A 46 PHE 2 46.460
47 1 A 47 ASN 2 48.520
48 1 A 48 SER 2 46.070
49 1 A 49 TYR 2 47.240
50 1 A 50 THR 2 50.520
51 1 A 51 LYS 2 45.760
52 1 A 52 LYS 2 47.200
53 1 A 53 MET 2 48.280
54 1 A 54 GLU 2 50.410
55 1 A 55 LEU 2 54.320
56 1 A 56 LEU 2 54.060
57 1 A 57 PHE 2 59.280
58 1 A 58 THR 2 60.390
59 1 A 59 PRO 2 57.320
60 1 A 60 GLU 2 58.010
61 1 A 61 PHE 2 60.470
62 1 A 62 HIS 2 58.750
63 1 A 63 THR 2 62.710
64 1 A 64 ALA 2 62.970
65 1 A 65 TRP 2 63.640
66 1 A 66 HIS 2 65.190
67 1 A 67 GLU 2 65.240
68 1 A 68 VAL 2 66.180
69 1 A 69 PRO 2 68.750
70 1 A 70 GLU 2 60.460
71 1 A 71 CYS 2 63.140
72 1 A 72 ARG 2 71.710
73 1 A 73 GLU 2 70.200
74 1 A 74 PHE 2 66.790
75 1 A 75 ILE 2 69.830
76 1 A 76 LEU 2 71.900
77 1 A 77 ASN 2 65.620
78 1 A 78 PHE 2 66.610
79 1 A 79 LEU 2 66.980
80 1 A 80 ARG 2 65.440
81 1 A 81 LEU 2 57.340
82 1 A 82 ILE 2 55.960
83 1 A 83 SER 2 60.180
84 1 A 84 GLY 2 57.060
85 1 A 85 HIS 2 58.660
86 1 A 86 ARG 2 65.290
87 1 A 87 VAL 2 65.760
88 1 A 88 VAL 2 69.370
89 1 A 89 LEU 2 65.550
90 1 A 90 LYS 2 64.310
91 1 A 91 GLY 2 65.360
92 1 A 92 PRO 2 59.730
93 1 A 93 THR 2 55.320
94 1 A 94 PHE 2 62.710
95 1 A 95 VAL 2 57.150
96 1 A 96 PHE 2 60.570
97 1 A 97 THR 2 58.160
98 1 A 98 LYS 2 52.150
99 1 A 99 GLU 2 46.580
100 1 A 100 ILE 2 40.960
101 1 A 101 LYS 2 40.440
102 1 A 102 ASN 2 38.950
103 1 A 103 LEU 2 36.150
104 1 A 104 GLY 2 29.570
105 1 A 105 ILE 2 32.840
106 1 A 106 PRO 2 33.950
107 1 A 107 SER 2 34.590
108 1 A 108 THR 2 36.370
109 1 A 109 ILE 2 37.260
110 1 A 110 ASN 2 36.450
111 1 A 111 VAL 2 40.720
112 1 A 112 ASP 2 43.280
113 1 A 113 PHE 2 41.580
114 1 A 114 GLN 2 42.890
115 1 A 115 ALA 2 42.030
116 1 A 116 ASN 2 41.920
117 1 A 117 ILE 2 39.520
118 1 A 118 GLU 2 44.460
119 1 A 119 ASN 2 47.910
120 1 A 120 MET 2 49.520
121 1 A 121 ASP 2 50.910
122 1 A 122 ASP 2 45.920
123 1 A 123 LEU 2 39.180
124 1 A 124 GLN 2 42.440
125 1 A 125 LYS 2 49.300
126 1 A 126 GLY 2 38.650
127 1 A 127 ASN 2 38.500
128 1 A 128 LEU 2 41.440
129 1 A 129 ILE 2 43.880
130 1 A 130 GLY 2 44.650
131 1 A 131 LYS 2 43.770
132 1 A 132 MET 2 44.040
133 1 A 133 ASN 2 41.560
134 1 A 134 ILE 2 38.980
135 1 A 135 LYS 2 40.590
136 1 A 136 GLU 2 35.650
137 1 A 137 GLY 2 34.210

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-004
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-004

_pdbx_database_status.entry_id ma-asfv-asfvg-004
_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'