data_ma-asfv-asfvg-006
_entry.id ma-asfv-asfvg-006
_entry.ma_collection_id ma-asfv-asfvg

_struct.entry_id ma-asfv-asfvg-006
_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 A179L'

_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 A179L protein' 24304.335 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 . D0Q0E8_ASF D0Q0E8 . 1 179 10497 'African swine fever virus (ASFV)' 2009-12-15 62CB13D82374BF35
1 NCBI . CAD2068403.1 1886136928 . 1 179 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
;MEGEELIYHNIINEILVGYIKYYINDISEHELSPYQQQIKKILTYYDECLNKQVTITFSLTSVQEIKTQF
TGVVTELFKDLINWGRICGFIVFSAKMAKYCKDANNHLESTVITTAYNFMKHNLLPWMISHGGQEEFLAF
SLHSDMYSVIFNIKYFLSKFCNHMFFRSCVQLLRNCNLI
;
;MEGEELIYHNIINEILVGYIKYYINDISEHELSPYQQQIKKILTYYDECLNKQVTITFSLTSVQEIKTQF
TGVVTELFKDLINWGRICGFIVFSAKMAKYCKDANNHLESTVITTAYNFMKHNLLPWMISHGGQEEFLAF
SLHSDMYSVIFNIKYFLSKFCNHMFFRSCVQLLRNCNLI
;

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 GLY .
1 4 GLU .
1 5 GLU .
1 6 LEU .
1 7 ILE .
1 8 TYR .
1 9 HIS .
1 10 ASN .
1 11 ILE .
1 12 ILE .
1 13 ASN .
1 14 GLU .
1 15 ILE .
1 16 LEU .
1 17 VAL .
1 18 GLY .
1 19 TYR .
1 20 ILE .
1 21 LYS .
1 22 TYR .
1 23 TYR .
1 24 ILE .
1 25 ASN .
1 26 ASP .
1 27 ILE .
1 28 SER .
1 29 GLU .
1 30 HIS .
1 31 GLU .
1 32 LEU .
1 33 SER .
1 34 PRO .
1 35 TYR .
1 36 GLN .
1 37 GLN .
1 38 GLN .
1 39 ILE .
1 40 LYS .
1 41 LYS .
1 42 ILE .
1 43 LEU .
1 44 THR .
1 45 TYR .
1 46 TYR .
1 47 ASP .
1 48 GLU .
1 49 CYS .
1 50 LEU .
1 51 ASN .
1 52 LYS .
1 53 GLN .
1 54 VAL .
1 55 THR .
1 56 ILE .
1 57 THR .
1 58 PHE .
1 59 SER .
1 60 LEU .
1 61 THR .
1 62 SER .
1 63 VAL .
1 64 GLN .
1 65 GLU .
1 66 ILE .
1 67 LYS .
1 68 THR .
1 69 GLN .
1 70 PHE .
1 71 THR .
1 72 GLY .
1 73 VAL .
1 74 VAL .
1 75 THR .
1 76 GLU .
1 77 LEU .
1 78 PHE .
1 79 LYS .
1 80 ASP .
1 81 LEU .
1 82 ILE .
1 83 ASN .
1 84 TRP .
1 85 GLY .
1 86 ARG .
1 87 ILE .
1 88 CYS .
1 89 GLY .
1 90 PHE .
1 91 ILE .
1 92 VAL .
1 93 PHE .
1 94 SER .
1 95 ALA .
1 96 LYS .
1 97 MET .
1 98 ALA .
1 99 LYS .
1 100 TYR .
1 101 CYS .
1 102 LYS .
1 103 ASP .
1 104 ALA .
1 105 ASN .
1 106 ASN .
1 107 HIS .
1 108 LEU .
1 109 GLU .
1 110 SER .
1 111 THR .
1 112 VAL .
1 113 ILE .
1 114 THR .
1 115 THR .
1 116 ALA .
1 117 TYR .
1 118 ASN .
1 119 PHE .
1 120 MET .
1 121 LYS .
1 122 HIS .
1 123 ASN .
1 124 LEU .
1 125 LEU .
1 126 PRO .
1 127 TRP .
1 128 MET .
1 129 ILE .
1 130 SER .
1 131 HIS .
1 132 GLY .
1 133 GLY .
1 134 GLN .
1 135 GLU .
1 136 GLU .
1 137 PHE .
1 138 LEU .
1 139 ALA .
1 140 PHE .
1 141 SER .
1 142 LEU .
1 143 HIS .
1 144 SER .
1 145 ASP .
1 146 MET .
1 147 TYR .
1 148 SER .
1 149 VAL .
1 150 ILE .
1 151 PHE .
1 152 ASN .
1 153 ILE .
1 154 LYS .
1 155 TYR .
1 156 PHE .
1 157 LEU .
1 158 SER .
1 159 LYS .
1 160 PHE .
1 161 CYS .
1 162 ASN .
1 163 HIS .
1 164 MET .
1 165 PHE .
1 166 PHE .
1 167 ARG .
1 168 SER .
1 169 CYS .
1 170 VAL .
1 171 GLN .
1 172 LEU .
1 173 LEU .
1 174 ARG .
1 175 ASN .
1 176 CYS .
1 177 ASN .
1 178 LEU .
1 179 ILE .

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

loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.seq_id
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.pdb_mon_id
_pdbx_poly_seq_scheme.auth_mon_id
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.pdb_ins_code
A 1 1 MET 1 1 MET MET A .
A 1 2 GLU 2 2 GLU GLU A .
A 1 3 GLY 3 3 GLY GLY A .
A 1 4 GLU 4 4 GLU GLU A .
A 1 5 GLU 5 5 GLU GLU A .
A 1 6 LEU 6 6 LEU LEU A .
A 1 7 ILE 7 7 ILE ILE A .
A 1 8 TYR 8 8 TYR TYR A .
A 1 9 HIS 9 9 HIS HIS A .
A 1 10 ASN 10 10 ASN ASN A .
A 1 11 ILE 11 11 ILE ILE A .
A 1 12 ILE 12 12 ILE ILE A .
A 1 13 ASN 13 13 ASN ASN A .
A 1 14 GLU 14 14 GLU GLU A .
A 1 15 ILE 15 15 ILE ILE A .
A 1 16 LEU 16 16 LEU LEU A .
A 1 17 VAL 17 17 VAL VAL A .
A 1 18 GLY 18 18 GLY GLY A .
A 1 19 TYR 19 19 TYR TYR A .
A 1 20 ILE 20 20 ILE ILE A .
A 1 21 LYS 21 21 LYS LYS A .
A 1 22 TYR 22 22 TYR TYR A .
A 1 23 TYR 23 23 TYR TYR A .
A 1 24 ILE 24 24 ILE ILE A .
A 1 25 ASN 25 25 ASN ASN A .
A 1 26 ASP 26 26 ASP ASP A .
A 1 27 ILE 27 27 ILE ILE A .
A 1 28 SER 28 28 SER SER A .
A 1 29 GLU 29 29 GLU GLU A .
A 1 30 HIS 30 30 HIS HIS A .
A 1 31 GLU 31 31 GLU GLU A .
A 1 32 LEU 32 32 LEU LEU A .
A 1 33 SER 33 33 SER SER A .
A 1 34 PRO 34 34 PRO PRO A .
A 1 35 TYR 35 35 TYR TYR A .
A 1 36 GLN 36 36 GLN GLN A .
A 1 37 GLN 37 37 GLN GLN A .
A 1 38 GLN 38 38 GLN GLN A .
A 1 39 ILE 39 39 ILE ILE A .
A 1 40 LYS 40 40 LYS LYS A .
A 1 41 LYS 41 41 LYS LYS A .
A 1 42 ILE 42 42 ILE ILE A .
A 1 43 LEU 43 43 LEU LEU A .
A 1 44 THR 44 44 THR THR A .
A 1 45 TYR 45 45 TYR TYR A .
A 1 46 TYR 46 46 TYR TYR A .
A 1 47 ASP 47 47 ASP ASP A .
A 1 48 GLU 48 48 GLU GLU A .
A 1 49 CYS 49 49 CYS CYS A .
A 1 50 LEU 50 50 LEU LEU A .
A 1 51 ASN 51 51 ASN ASN A .
A 1 52 LYS 52 52 LYS LYS A .
A 1 53 GLN 53 53 GLN GLN A .
A 1 54 VAL 54 54 VAL VAL A .
A 1 55 THR 55 55 THR THR A .
A 1 56 ILE 56 56 ILE ILE A .
A 1 57 THR 57 57 THR THR A .
A 1 58 PHE 58 58 PHE PHE A .
A 1 59 SER 59 59 SER SER A .
A 1 60 LEU 60 60 LEU LEU A .
A 1 61 THR 61 61 THR THR A .
A 1 62 SER 62 62 SER SER A .
A 1 63 VAL 63 63 VAL VAL A .
A 1 64 GLN 64 64 GLN GLN A .
A 1 65 GLU 65 65 GLU GLU A .
A 1 66 ILE 66 66 ILE ILE A .
A 1 67 LYS 67 67 LYS LYS A .
A 1 68 THR 68 68 THR THR A .
A 1 69 GLN 69 69 GLN GLN A .
A 1 70 PHE 70 70 PHE PHE A .
A 1 71 THR 71 71 THR THR A .
A 1 72 GLY 72 72 GLY GLY A .
A 1 73 VAL 73 73 VAL VAL A .
A 1 74 VAL 74 74 VAL VAL A .
A 1 75 THR 75 75 THR THR A .
A 1 76 GLU 76 76 GLU GLU A .
A 1 77 LEU 77 77 LEU LEU A .
A 1 78 PHE 78 78 PHE PHE A .
A 1 79 LYS 79 79 LYS LYS A .
A 1 80 ASP 80 80 ASP ASP A .
A 1 81 LEU 81 81 LEU LEU A .
A 1 82 ILE 82 82 ILE ILE A .
A 1 83 ASN 83 83 ASN ASN A .
A 1 84 TRP 84 84 TRP TRP A .
A 1 85 GLY 85 85 GLY GLY A .
A 1 86 ARG 86 86 ARG ARG A .
A 1 87 ILE 87 87 ILE ILE A .
A 1 88 CYS 88 88 CYS CYS A .
A 1 89 GLY 89 89 GLY GLY A .
A 1 90 PHE 90 90 PHE PHE A .
A 1 91 ILE 91 91 ILE ILE A .
A 1 92 VAL 92 92 VAL VAL A .
A 1 93 PHE 93 93 PHE PHE A .
A 1 94 SER 94 94 SER SER A .
A 1 95 ALA 95 95 ALA ALA A .
A 1 96 LYS 96 96 LYS LYS A .
A 1 97 MET 97 97 MET MET A .
A 1 98 ALA 98 98 ALA ALA A .
A 1 99 LYS 99 99 LYS LYS A .
A 1 100 TYR 100 100 TYR TYR A .
A 1 101 CYS 101 101 CYS CYS A .
A 1 102 LYS 102 102 LYS LYS A .
A 1 103 ASP 103 103 ASP ASP A .
A 1 104 ALA 104 104 ALA ALA A .
A 1 105 ASN 105 105 ASN ASN A .
A 1 106 ASN 106 106 ASN ASN A .
A 1 107 HIS 107 107 HIS HIS A .
A 1 108 LEU 108 108 LEU LEU A .
A 1 109 GLU 109 109 GLU GLU A .
A 1 110 SER 110 110 SER SER A .
A 1 111 THR 111 111 THR THR A .
A 1 112 VAL 112 112 VAL VAL A .
A 1 113 ILE 113 113 ILE ILE A .
A 1 114 THR 114 114 THR THR A .
A 1 115 THR 115 115 THR THR A .
A 1 116 ALA 116 116 ALA ALA A .
A 1 117 TYR 117 117 TYR TYR A .
A 1 118 ASN 118 118 ASN ASN A .
A 1 119 PHE 119 119 PHE PHE A .
A 1 120 MET 120 120 MET MET A .
A 1 121 LYS 121 121 LYS LYS A .
A 1 122 HIS 122 122 HIS HIS A .
A 1 123 ASN 123 123 ASN ASN A .
A 1 124 LEU 124 124 LEU LEU A .
A 1 125 LEU 125 125 LEU LEU A .
A 1 126 PRO 126 126 PRO PRO A .
A 1 127 TRP 127 127 TRP TRP A .
A 1 128 MET 128 128 MET MET A .
A 1 129 ILE 129 129 ILE ILE A .
A 1 130 SER 130 130 SER SER A .
A 1 131 HIS 131 131 HIS HIS A .
A 1 132 GLY 132 132 GLY GLY A .
A 1 133 GLY 133 133 GLY GLY A .
A 1 134 GLN 134 134 GLN GLN A .
A 1 135 GLU 135 135 GLU GLU A .
A 1 136 GLU 136 136 GLU GLU A .
A 1 137 PHE 137 137 PHE PHE A .
A 1 138 LEU 138 138 LEU LEU A .
A 1 139 ALA 139 139 ALA ALA A .
A 1 140 PHE 140 140 PHE PHE A .
A 1 141 SER 141 141 SER SER A .
A 1 142 LEU 142 142 LEU LEU A .
A 1 143 HIS 143 143 HIS HIS A .
A 1 144 SER 144 144 SER SER A .
A 1 145 ASP 145 145 ASP ASP A .
A 1 146 MET 146 146 MET MET A .
A 1 147 TYR 147 147 TYR TYR A .
A 1 148 SER 148 148 SER SER A .
A 1 149 VAL 149 149 VAL VAL A .
A 1 150 ILE 150 150 ILE ILE A .
A 1 151 PHE 151 151 PHE PHE A .
A 1 152 ASN 152 152 ASN ASN A .
A 1 153 ILE 153 153 ILE ILE A .
A 1 154 LYS 154 154 LYS LYS A .
A 1 155 TYR 155 155 TYR TYR A .
A 1 156 PHE 156 156 PHE PHE A .
A 1 157 LEU 157 157 LEU LEU A .
A 1 158 SER 158 158 SER SER A .
A 1 159 LYS 159 159 LYS LYS A .
A 1 160 PHE 160 160 PHE PHE A .
A 1 161 CYS 161 161 CYS CYS A .
A 1 162 ASN 162 162 ASN ASN A .
A 1 163 HIS 163 163 HIS HIS A .
A 1 164 MET 164 164 MET MET A .
A 1 165 PHE 165 165 PHE PHE A .
A 1 166 PHE 166 166 PHE PHE A .
A 1 167 ARG 167 167 ARG ARG A .
A 1 168 SER 168 168 SER SER A .
A 1 169 CYS 169 169 CYS CYS A .
A 1 170 VAL 170 170 VAL VAL A .
A 1 171 GLN 171 171 GLN GLN A .
A 1 172 LEU 172 172 LEU LEU A .
A 1 173 LEU 173 173 LEU LEU A .
A 1 174 ARG 174 174 ARG ARG A .
A 1 175 ASN 175 175 ASN ASN A .
A 1 176 CYS 176 176 CYS CYS A .
A 1 177 ASN 177 177 ASN ASN A .
A 1 178 LEU 178 178 LEU LEU A .
A 1 179 ILE 179 179 ILE ILE A .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 'ASFV-G A179L 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 -4.215 -22.936 15.718 1.000 1 A 63.600 1
ATOM 2 C CA . MET 1 1 ? A -3.008 -22.287 15.165 1.000 1 A 63.600 1
ATOM 3 C C . MET 1 1 ? A -3.025 -22.273 13.641 1.000 1 A 63.600 1
ATOM 4 O O . MET 1 1 ? A -3.142 -21.187 13.100 1.000 1 A 63.600 1
ATOM 5 C CB . MET 1 1 ? A -1.704 -22.852 15.739 1.000 1 A 63.600 1
ATOM 6 C CG . MET 1 1 ? A -1.537 -22.418 17.202 1.000 1 A 63.600 1
ATOM 7 S SD . MET 1 1 ? A 0.040 -22.879 17.963 1.000 1 A 63.600 1
ATOM 8 C CE . MET 1 1 ? A 1.207 -21.958 16.920 1.000 1 A 63.600 1
ATOM 9 H H . MET 1 1 ? A -4.247 -23.912 15.461 1.000 1 A 63.600 1
ATOM 10 H H2 . MET 1 1 ? A -4.217 -22.849 16.724 1.000 1 A 63.600 1
ATOM 11 H HA . MET 1 1 ? A -3.042 -21.235 15.448 1.000 1 A 63.600 1
ATOM 12 H HB2 . MET 1 1 ? A -1.696 -23.940 15.667 1.000 1 A 63.600 1
ATOM 13 H HB3 . MET 1 1 ? A -0.876 -22.455 15.152 1.000 1 A 63.600 1
ATOM 14 H HG2 . MET 1 1 ? A -2.336 -22.858 17.798 1.000 1 A 63.600 1
ATOM 15 H HG3 . MET 1 1 ? A -1.631 -21.334 17.259 1.000 1 A 63.600 1
ATOM 16 H HE1 . MET 1 1 ? A 1.227 -22.377 15.914 1.000 1 A 63.600 1
ATOM 17 H HE2 . MET 1 1 ? A 2.207 -22.033 17.348 1.000 1 A 63.600 1
ATOM 18 H HE3 . MET 1 1 ? A 0.916 -20.908 16.877 1.000 1 A 63.600 1
ATOM 19 H H3 . MET 1 1 ? A -5.037 -22.464 15.368 1.000 1 A 63.600 1
ATOM 20 N N . GLU 2 2 ? A -3.006 -23.417 12.943 1.000 1 A 76.360 1
ATOM 21 C CA . GLU 2 2 ? A -2.981 -23.434 11.460 1.000 1 A 76.360 1
ATOM 22 C C . GLU 2 2 ? A -4.162 -22.689 10.807 1.000 1 A 76.360 1
ATOM 23 O O . GLU 2 2 ? A -3.970 -21.920 9.869 1.000 1 A 76.360 1
ATOM 24 C CB . GLU 2 2 ? A -2.959 -24.887 10.958 1.000 1 A 76.360 1
ATOM 25 C CG . GLU 2 2 ? A -1.642 -25.604 11.296 1.000 1 A 76.360 1
ATOM 26 C CD . GLU 2 2 ? A -1.607 -27.066 10.823 1.000 1 A 76.360 1
ATOM 27 O OE1 . GLU 2 2 ? A -0.534 -27.685 10.990 1.000 1 A 76.360 1
ATOM 28 O OE2 . GLU 2 2 ? A -2.661 -27.564 10.366 1.000 1 A 76.360 1
ATOM 29 H H . GLU 2 2 ? A -2.792 -24.298 13.389 1.000 1 A 76.360 1
ATOM 30 H HA . GLU 2 2 ? A -2.075 -22.942 11.107 1.000 1 A 76.360 1
ATOM 31 H HB2 . GLU 2 2 ? A -3.083 -24.883 9.875 1.000 1 A 76.360 1
ATOM 32 H HB3 . GLU 2 2 ? A -3.796 -25.423 11.404 1.000 1 A 76.360 1
ATOM 33 H HG2 . GLU 2 2 ? A -1.500 -25.582 12.376 1.000 1 A 76.360 1
ATOM 34 H HG3 . GLU 2 2 ? A -0.819 -25.053 10.839 1.000 1 A 76.360 1
ATOM 35 N N . GLY 3 3 ? A -5.379 -22.842 11.346 1.000 1 A 83.980 1
ATOM 36 C CA . GLY 3 3 ? A -6.561 -22.147 10.823 1.000 1 A 83.980 1
ATOM 37 C C . GLY 3 3 ? A -6.505 -20.619 10.959 1.000 1 A 83.980 1
ATOM 38 O O . GLY 3 3 ? A -6.903 -19.909 10.042 1.000 1 A 83.980 1
ATOM 39 H H . GLY 3 3 ? A -5.505 -23.563 12.042 1.000 1 A 83.980 1
ATOM 40 H HA2 . GLY 3 3 ? A -7.447 -22.498 11.352 1.000 1 A 83.980 1
ATOM 41 H HA3 . GLY 3 3 ? A -6.676 -22.386 9.765 1.000 1 A 83.980 1
ATOM 42 N N . GLU 4 4 ? A -5.965 -20.103 12.066 1.000 1 A 86.220 1
ATOM 43 C CA . GLU 4 4 ? A -5.813 -18.654 12.279 1.000 1 A 86.220 1
ATOM 44 C C . GLU 4 4 ? A -4.767 -18.063 11.333 1.000 1 A 86.220 1
ATOM 45 O O . GLU 4 4 ? A -4.973 -16.990 10.770 1.000 1 A 86.220 1
ATOM 46 C CB . GLU 4 4 ? A -5.388 -18.369 13.724 1.000 1 A 86.220 1
ATOM 47 C CG . GLU 4 4 ? A -6.501 -18.650 14.743 1.000 1 A 86.220 1
ATOM 48 C CD . GLU 4 4 ? A -6.018 -18.528 16.196 1.000 1 A 86.220 1
ATOM 49 O OE1 . GLU 4 4 ? A -6.880 -18.632 17.092 1.000 1 A 86.220 1
ATOM 50 O OE2 . GLU 4 4 ? A -4.784 -18.474 16.414 1.000 1 A 86.220 1
ATOM 51 H H . GLU 4 4 ? A -5.530 -20.725 12.732 1.000 1 A 86.220 1
ATOM 52 H HA . GLU 4 4 ? A -6.755 -18.144 12.082 1.000 1 A 86.220 1
ATOM 53 H HB2 . GLU 4 4 ? A -5.102 -17.320 13.810 1.000 1 A 86.220 1
ATOM 54 H HB3 . GLU 4 4 ? A -4.516 -18.983 13.950 1.000 1 A 86.220 1
ATOM 55 H HG2 . GLU 4 4 ? A -6.871 -19.663 14.589 1.000 1 A 86.220 1
ATOM 56 H HG3 . GLU 4 4 ? A -7.323 -17.956 14.565 1.000 1 A 86.220 1
ATOM 57 N N . GLU 5 5 ? A -3.664 -18.780 11.102 1.000 1 A 89.820 1
ATOM 58 C CA . GLU 5 5 ? A -2.624 -18.329 10.181 1.000 1 A 89.820 1
ATOM 59 C C . GLU 5 5 ? A -3.131 -18.245 8.736 1.000 1 A 89.820 1
ATOM 60 O O . GLU 5 5 ? A -2.826 -17.272 8.042 1.000 1 A 89.820 1
ATOM 61 C CB . GLU 5 5 ? A -1.392 -19.231 10.322 1.000 1 A 89.820 1
ATOM 62 C CG . GLU 5 5 ? A -0.255 -18.748 9.413 1.000 1 A 89.820 1
ATOM 63 C CD . GLU 5 5 ? A 1.129 -19.182 9.899 1.000 1 A 89.820 1
ATOM 64 O OE1 . GLU 5 5 ? A 2.040 -18.321 9.765 1.000 1 A 89.820 1
ATOM 65 O OE2 . GLU 5 5 ? A 1.258 -20.291 10.457 1.000 1 A 89.820 1
ATOM 66 H H . GLU 5 5 ? A -3.545 -19.666 11.572 1.000 1 A 89.820 1
ATOM 67 H HA . GLU 5 5 ? A -2.338 -17.318 10.469 1.000 1 A 89.820 1
ATOM 68 H HB2 . GLU 5 5 ? A -1.646 -20.263 10.077 1.000 1 A 89.820 1
ATOM 69 H HB3 . GLU 5 5 ? A -1.063 -19.186 11.360 1.000 1 A 89.820 1
ATOM 70 H HG2 . GLU 5 5 ? A -0.420 -19.114 8.399 1.000 1 A 89.820 1
ATOM 71 H HG3 . GLU 5 5 ? A -0.275 -17.659 9.379 1.000 1 A 89.820 1
ATOM 72 N N . LEU 6 6 ? A -3.962 -19.201 8.308 1.000 1 A 92.500 1
ATOM 73 C CA . LEU 6 6 ? A -4.617 -19.154 7.002 1.000 1 A 92.500 1
ATOM 74 C C . LEU 6 6 ? A -5.594 -17.973 6.889 1.000 1 A 92.500 1
ATOM 75 O O . LEU 6 6 ? A -5.598 -17.276 5.875 1.000 1 A 92.500 1
ATOM 76 C CB . LEU 6 6 ? A -5.313 -20.501 6.749 1.000 1 A 92.500 1
ATOM 77 C CG . LEU 6 6 ? A -6.003 -20.597 5.375 1.000 1 A 92.500 1
ATOM 78 C CD1 . LEU 6 6 ? A -5.017 -20.443 4.214 1.000 1 A 92.500 1
ATOM 79 C CD2 . LEU 6 6 ? A -6.695 -21.953 5.245 1.000 1 A 92.500 1
ATOM 80 H H . LEU 6 6 ? A -4.144 -19.987 8.915 1.000 1 A 92.500 1
ATOM 81 H HA . LEU 6 6 ? A -3.842 -19.010 6.248 1.000 1 A 92.500 1
ATOM 82 H HB2 . LEU 6 6 ? A -4.574 -21.298 6.830 1.000 1 A 92.500 1
ATOM 83 H HB3 . LEU 6 6 ? A -6.062 -20.660 7.526 1.000 1 A 92.500 1
ATOM 84 H HG . LEU 6 6 ? A -6.767 -19.825 5.293 1.000 1 A 92.500 1
ATOM 85 H HD11 . LEU 6 6 ? A -4.623 -19.427 4.191 1.000 1 A 92.500 1
ATOM 86 H HD12 . LEU 6 6 ? A -4.197 -21.153 4.319 1.000 1 A 92.500 1
ATOM 87 H HD13 . LEU 6 6 ? A -5.529 -20.621 3.268 1.000 1 A 92.500 1
ATOM 88 H HD21 . LEU 6 6 ? A -7.422 -22.072 6.048 1.000 1 A 92.500 1
ATOM 89 H HD22 . LEU 6 6 ? A -5.959 -22.755 5.305 1.000 1 A 92.500 1
ATOM 90 H HD23 . LEU 6 6 ? A -7.214 -22.013 4.288 1.000 1 A 92.500 1
ATOM 91 N N . ILE 7 7 ? A -6.387 -17.704 7.931 1.000 1 A 92.910 1
ATOM 92 C CA . ILE 7 7 ? A -7.298 -16.548 7.967 1.000 1 A 92.910 1
ATOM 93 C C . ILE 7 7 ? A -6.505 -15.243 7.835 1.000 1 A 92.910 1
ATOM 94 O O . ILE 7 7 ? A -6.830 -14.400 6.999 1.000 1 A 92.910 1
ATOM 95 C CB . ILE 7 7 ? A -8.163 -16.578 9.250 1.000 1 A 92.910 1
ATOM 96 C CG1 . ILE 7 7 ? A -9.184 -17.736 9.174 1.000 1 A 92.910 1
ATOM 97 C CG2 . ILE 7 7 ? A -8.907 -15.245 9.460 1.000 1 A 92.910 1
ATOM 98 C CD1 . ILE 7 7 ? A -9.818 -18.087 10.527 1.000 1 A 92.910 1
ATOM 99 H H . ILE 7 7 ? A -6.346 -18.314 8.735 1.000 1 A 92.910 1
ATOM 100 H HA . ILE 7 7 ? A -7.964 -16.599 7.106 1.000 1 A 92.910 1
ATOM 101 H HB . ILE 7 7 ? A -7.510 -16.740 10.107 1.000 1 A 92.910 1
ATOM 102 H HG12 . ILE 7 7 ? A -8.699 -18.635 8.794 1.000 1 A 92.910 1
ATOM 103 H HG13 . ILE 7 7 ? A -9.974 -17.477 8.469 1.000 1 A 92.910 1
ATOM 104 H HG21 . ILE 7 7 ? A -8.199 -14.437 9.644 1.000 1 A 92.910 1
ATOM 105 H HG22 . ILE 7 7 ? A -9.509 -15.004 8.584 1.000 1 A 92.910 1
ATOM 106 H HG23 . ILE 7 7 ? A -9.558 -15.300 10.333 1.000 1 A 92.910 1
ATOM 107 H HD11 . ILE 7 7 ? A -9.039 -18.301 11.259 1.000 1 A 92.910 1
ATOM 108 H HD12 . ILE 7 7 ? A -10.442 -17.268 10.886 1.000 1 A 92.910 1
ATOM 109 H HD13 . ILE 7 7 ? A -10.444 -18.971 10.410 1.000 1 A 92.910 1
ATOM 110 N N . TYR 8 8 ? A -5.428 -15.087 8.605 1.000 1 A 94.300 1
ATOM 111 C CA . TYR 8 8 ? A -4.576 -13.898 8.553 1.000 1 A 94.300 1
ATOM 112 C C . TYR 8 8 ? A -3.916 -13.720 7.190 1.000 1 A 94.300 1
ATOM 113 O O . TYR 8 8 ? A -3.874 -12.606 6.668 1.000 1 A 94.300 1
ATOM 114 C CB . TYR 8 8 ? A -3.516 -13.995 9.658 1.000 1 A 94.300 1
ATOM 115 C CG . TYR 8 8 ? A -4.033 -13.955 11.088 1.000 1 A 94.300 1
ATOM 116 C CD1 . TYR 8 8 ? A -5.364 -13.587 11.389 1.000 1 A 94.300 1
ATOM 117 C CD2 . TYR 8 8 ? A -3.158 -14.306 12.134 1.000 1 A 94.300 1
ATOM 118 C CE1 . TYR 8 8 ? A -5.812 -13.581 12.719 1.000 1 A 94.300 1
ATOM 119 C CE2 . TYR 8 8 ? A -3.606 -14.298 13.469 1.000 1 A 94.300 1
ATOM 120 C CZ . TYR 8 8 ? A -4.937 -13.932 13.761 1.000 1 A 94.300 1
ATOM 121 O OH . TYR 8 8 ? A -5.394 -13.930 15.038 1.000 1 A 94.300 1
ATOM 122 H H . TYR 8 8 ? A -5.218 -15.800 9.288 1.000 1 A 94.300 1
ATOM 123 H HA . TYR 8 8 ? A -5.187 -13.009 8.711 1.000 1 A 94.300 1
ATOM 124 H HB2 . TYR 8 8 ? A -2.960 -14.922 9.522 1.000 1 A 94.300 1
ATOM 125 H HB3 . TYR 8 8 ? A -2.809 -13.174 9.532 1.000 1 A 94.300 1
ATOM 126 H HD1 . TYR 8 8 ? A -6.072 -13.328 10.616 1.000 1 A 94.300 1
ATOM 127 H HD2 . TYR 8 8 ? A -2.146 -14.610 11.909 1.000 1 A 94.300 1
ATOM 128 H HE1 . TYR 8 8 ? A -6.839 -13.339 12.953 1.000 1 A 94.300 1
ATOM 129 H HE2 . TYR 8 8 ? A -2.943 -14.589 14.271 1.000 1 A 94.300 1
ATOM 130 H HH . TYR 8 8 ? A -4.784 -14.348 15.651 1.000 1 A 94.300 1
ATOM 131 N N . HIS 9 9 ? A -3.444 -14.812 6.591 1.000 1 A 95.890 1
ATOM 132 C CA . HIS 9 9 ? A -2.897 -14.797 5.242 1.000 1 A 95.890 1
ATOM 133 C C . HIS 9 9 ? A -3.914 -14.279 4.219 1.000 1 A 95.890 1
ATOM 134 O O . HIS 9 9 ? A -3.593 -13.391 3.427 1.000 1 A 95.890 1
ATOM 135 C CB . HIS 9 9 ? A -2.420 -16.210 4.894 1.000 1 A 95.890 1
ATOM 136 C CG . HIS 9 9 ? A -1.808 -16.289 3.526 1.000 1 A 95.890 1
ATOM 137 N ND1 . HIS 9 9 ? A -0.605 -15.740 3.161 1.000 1 A 95.890 1
ATOM 138 C CD2 . HIS 9 9 ? A -2.332 -16.896 2.417 1.000 1 A 95.890 1
ATOM 139 C CE1 . HIS 9 9 ? A -0.386 -16.026 1.871 1.000 1 A 95.890 1
ATOM 140 N NE2 . HIS 9 9 ? A -1.415 -16.725 1.370 1.000 1 A 95.890 1
ATOM 141 H H . HIS 9 9 ? A -3.503 -15.697 7.074 1.000 1 A 95.890 1
ATOM 142 H HA . HIS 9 9 ? A -2.046 -14.115 5.218 1.000 1 A 95.890 1
ATOM 143 H HB2 . HIS 9 9 ? A -3.256 -16.907 4.943 1.000 1 A 95.890 1
ATOM 144 H HB3 . HIS 9 9 ? A -1.675 -16.527 5.624 1.000 1 A 95.890 1
ATOM 145 H HD1 . HIS 9 9 ? A -0.018 -15.178 3.761 1.000 1 A 95.890 1
ATOM 146 H HD2 . HIS 9 9 ? A -3.279 -17.413 2.363 1.000 1 A 95.890 1
ATOM 147 H HE1 . HIS 9 9 ? A 0.482 -15.719 1.305 1.000 1 A 95.890 1
ATOM 148 N N . ASN 10 10 ? A -5.153 -14.772 4.279 1.000 1 A 95.960 1
ATOM 149 C CA . ASN 10 10 ? A -6.221 -14.359 3.371 1.000 1 A 95.960 1
ATOM 150 C C . ASN 10 10 ? A -6.582 -12.877 3.548 1.000 1 A 95.960 1
ATOM 151 O O . ASN 10 10 ? A -6.646 -12.152 2.557 1.000 1 A 95.960 1
ATOM 152 C CB . ASN 10 10 ? A -7.429 -15.288 3.567 1.000 1 A 95.960 1
ATOM 153 C CG . ASN 10 10 ? A -7.161 -16.710 3.100 1.000 1 A 95.960 1
ATOM 154 O OD1 . ASN 10 10 ? A -6.237 -16.999 2.357 1.000 1 A 95.960 1
ATOM 155 N ND2 . ASN 10 10 ? A -7.983 -17.649 3.506 1.000 1 A 95.960 1
ATOM 156 H H . ASN 10 10 ? A -5.347 -15.509 4.942 1.000 1 A 95.960 1
ATOM 157 H HA . ASN 10 10 ? A -5.870 -14.469 2.345 1.000 1 A 95.960 1
ATOM 158 H HB2 . ASN 10 10 ? A -7.714 -15.303 4.619 1.000 1 A 95.960 1
ATOM 159 H HB3 . ASN 10 10 ? A -8.270 -14.905 2.989 1.000 1 A 95.960 1
ATOM 160 H HD21 . ASN 10 10 ? A -7.773 -18.585 3.191 1.000 1 A 95.960 1
ATOM 161 H HD22 . ASN 10 10 ? A -8.748 -17.423 4.125 1.000 1 A 95.960 1
ATOM 162 N N . ILE 11 11 ? A -6.719 -12.396 4.790 1.000 1 A 96.200 1
ATOM 163 C CA . ILE 11 11 ? A -7.009 -10.980 5.076 1.000 1 A 96.200 1
ATOM 164 C C . ILE 11 11 ? A -5.920 -10.065 4.500 1.000 1 A 96.200 1
ATOM 165 O O . ILE 11 11 ? A -6.220 -9.069 3.839 1.000 1 A 96.200 1
ATOM 166 C CB . ILE 11 11 ? A -7.178 -10.748 6.598 1.000 1 A 96.200 1
ATOM 167 C CG1 . ILE 11 11 ? A -8.441 -11.457 7.132 1.000 1 A 96.200 1
ATOM 168 C CG2 . ILE 11 11 ? A -7.258 -9.237 6.904 1.000 1 A 96.200 1
ATOM 169 C CD1 . ILE 11 11 ? A -8.501 -11.558 8.662 1.000 1 A 96.200 1
ATOM 170 H H . ILE 11 11 ? A -6.669 -13.047 5.561 1.000 1 A 96.200 1
ATOM 171 H HA . ILE 11 11 ? A -7.945 -10.713 4.584 1.000 1 A 96.200 1
ATOM 172 H HB . ILE 11 11 ? A -6.306 -11.156 7.109 1.000 1 A 96.200 1
ATOM 173 H HG12 . ILE 11 11 ? A -9.327 -10.920 6.793 1.000 1 A 96.200 1
ATOM 174 H HG13 . ILE 11 11 ? A -8.499 -12.470 6.732 1.000 1 A 96.200 1
ATOM 175 H HG21 . ILE 11 11 ? A -7.530 -9.059 7.944 1.000 1 A 96.200 1
ATOM 176 H HG22 . ILE 11 11 ? A -8.007 -8.772 6.263 1.000 1 A 96.200 1
ATOM 177 H HG23 . ILE 11 11 ? A -6.294 -8.759 6.729 1.000 1 A 96.200 1
ATOM 178 H HD11 . ILE 11 11 ? A -7.595 -12.035 9.037 1.000 1 A 96.200 1
ATOM 179 H HD12 . ILE 11 11 ? A -8.610 -10.573 9.115 1.000 1 A 96.200 1
ATOM 180 H HD13 . ILE 11 11 ? A -9.363 -12.161 8.945 1.000 1 A 96.200 1
ATOM 181 N N . ILE 12 12 ? A -4.645 -10.396 4.728 1.000 1 A 97.900 1
ATOM 182 C CA . ILE 12 12 ? A -3.524 -9.577 4.245 1.000 1 A 97.900 1
ATOM 183 C C . ILE 12 12 ? A -3.447 -9.614 2.713 1.000 1 A 97.900 1
ATOM 184 O O . ILE 12 12 ? A -3.150 -8.593 2.090 1.000 1 A 97.900 1
ATOM 185 C CB . ILE 12 12 ? A -2.195 -10.025 4.890 1.000 1 A 97.900 1
ATOM 186 C CG1 . ILE 12 12 ? A -2.223 -9.855 6.426 1.000 1 A 97.900 1
ATOM 187 C CG2 . ILE 12 12 ? A -1.022 -9.204 4.318 1.000 1 A 97.900 1
ATOM 188 C CD1 . ILE 12 12 ? A -1.101 -10.641 7.114 1.000 1 A 97.900 1
ATOM 189 H H . ILE 12 12 ? A -4.451 -11.228 5.267 1.000 1 A 97.900 1
ATOM 190 H HA . ILE 12 12 ? A -3.707 -8.541 4.530 1.000 1 A 97.900 1
ATOM 191 H HB . ILE 12 12 ? A -2.038 -11.077 4.653 1.000 1 A 97.900 1
ATOM 192 H HG12 . ILE 12 12 ? A -3.172 -10.204 6.832 1.000 1 A 97.900 1
ATOM 193 H HG13 . ILE 12 12 ? A -2.134 -8.799 6.682 1.000 1 A 97.900 1
ATOM 194 H HG21 . ILE 12 12 ? A -0.886 -9.427 3.259 1.000 1 A 97.900 1
ATOM 195 H HG22 . ILE 12 12 ? A -1.220 -8.139 4.433 1.000 1 A 97.900 1
ATOM 196 H HG23 . ILE 12 12 ? A -0.091 -9.445 4.831 1.000 1 A 97.900 1
ATOM 197 H HD11 . ILE 12 12 ? A -0.130 -10.213 6.868 1.000 1 A 97.900 1
ATOM 198 H HD12 . ILE 12 12 ? A -1.240 -10.600 8.194 1.000 1 A 97.900 1
ATOM 199 H HD13 . ILE 12 12 ? A -1.130 -11.684 6.800 1.000 1 A 97.900 1
ATOM 200 N N . ASN 13 13 ? A -3.732 -10.753 2.080 1.000 1 A 97.580 1
ATOM 201 C CA . ASN 13 13 ? A -3.761 -10.828 0.620 1.000 1 A 97.580 1
ATOM 202 C C . ASN 13 13 ? A -4.862 -9.951 0.017 1.000 1 A 97.580 1
ATOM 203 O O . ASN 13 13 ? A -4.604 -9.231 -0.950 1.000 1 A 97.580 1
ATOM 204 C CB . ASN 13 13 ? A -3.923 -12.280 0.165 1.000 1 A 97.580 1
ATOM 205 C CG . ASN 13 13 ? A -2.641 -13.081 0.225 1.000 1 A 97.580 1
ATOM 206 O OD1 . ASN 13 13 ? A -1.534 -12.582 0.062 1.000 1 A 97.580 1
ATOM 207 N ND2 . ASN 13 13 ? A -2.790 -14.368 0.395 1.000 1 A 97.580 1
ATOM 208 H H . ASN 13 13 ? A -3.959 -11.577 2.618 1.000 1 A 97.580 1
ATOM 209 H HA . ASN 13 13 ? A -2.814 -10.441 0.246 1.000 1 A 97.580 1
ATOM 210 H HB2 . ASN 13 13 ? A -4.257 -12.297 -0.872 1.000 1 A 97.580 1
ATOM 211 H HB3 . ASN 13 13 ? A -4.693 -12.765 0.766 1.000 1 A 97.580 1
ATOM 212 H HD21 . ASN 13 13 ? A -1.984 -14.960 0.534 1.000 1 A 97.580 1
ATOM 213 H HD22 . ASN 13 13 ? A -3.711 -14.747 0.564 1.000 1 A 97.580 1
ATOM 214 N N . GLU 14 14 ? A -6.055 -9.981 0.608 1.000 1 A 96.760 1
ATOM 215 C CA . GLU 14 14 ? A -7.196 -9.167 0.193 1.000 1 A 96.760 1
ATOM 216 C C . GLU 14 14 ? A -6.921 -7.668 0.353 1.000 1 A 96.760 1
ATOM 217 O O . GLU 14 14 ? A -7.174 -6.896 -0.565 1.000 1 A 96.760 1
ATOM 218 C CB . GLU 14 14 ? A -8.429 -9.580 1.005 1.000 1 A 96.760 1
ATOM 219 C CG . GLU 14 14 ? A -9.063 -10.893 0.514 1.000 1 A 96.760 1
ATOM 220 C CD . GLU 14 14 ? A -9.602 -10.796 -0.920 1.000 1 A 96.760 1
ATOM 221 O OE1 . GLU 14 14 ? A -9.594 -11.818 -1.634 1.000 1 A 96.760 1
ATOM 222 O OE2 . GLU 14 14 ? A -10.002 -9.683 -1.331 1.000 1 A 96.760 1
ATOM 223 H H . GLU 14 14 ? A -6.202 -10.632 1.366 1.000 1 A 96.760 1
ATOM 224 H HA . GLU 14 14 ? A -7.415 -9.343 -0.860 1.000 1 A 96.760 1
ATOM 225 H HB2 . GLU 14 14 ? A -8.133 -9.699 2.047 1.000 1 A 96.760 1
ATOM 226 H HB3 . GLU 14 14 ? A -9.176 -8.787 0.961 1.000 1 A 96.760 1
ATOM 227 H HG2 . GLU 14 14 ? A -8.322 -11.691 0.570 1.000 1 A 96.760 1
ATOM 228 H HG3 . GLU 14 14 ? A -9.883 -11.148 1.186 1.000 1 A 96.760 1
ATOM 229 N N . ILE 15 15 ? A -6.348 -7.247 1.482 1.000 1 A 97.460 1
ATOM 230 C CA . ILE 15 15 ? A -6.153 -5.821 1.780 1.000 1 A 97.460 1
ATOM 231 C C . ILE 15 15 ? A -4.895 -5.239 1.121 1.000 1 A 97.460 1
ATOM 232 O O . ILE 15 15 ? A -4.910 -4.098 0.660 1.000 1 A 97.460 1
ATOM 233 C CB . ILE 15 15 ? A -6.176 -5.617 3.312 1.000 1 A 97.460 1
ATOM 234 C CG1 . ILE 15 15 ? A -7.615 -5.871 3.822 1.000 1 A 97.460 1
ATOM 235 C CG2 . ILE 15 15 ? A -5.698 -4.206 3.706 1.000 1 A 97.460 1
ATOM 236 C CD1 . ILE 15 15 ? A -7.765 -5.735 5.335 1.000 1 A 97.460 1
ATOM 237 H H . ILE 15 15 ? A -6.184 -7.926 2.211 1.000 1 A 97.460 1
ATOM 238 H HA . ILE 15 15 ? A -6.991 -5.262 1.362 1.000 1 A 97.460 1
ATOM 239 H HB . ILE 15 15 ? A -5.501 -6.339 3.772 1.000 1 A 97.460 1
ATOM 240 H HG12 . ILE 15 15 ? A -7.937 -6.874 3.545 1.000 1 A 97.460 1
ATOM 241 H HG13 . ILE 15 15 ? A -8.288 -5.153 3.354 1.000 1 A 97.460 1
ATOM 242 H HG21 . ILE 15 15 ? A -6.371 -3.458 3.288 1.000 1 A 97.460 1
ATOM 243 H HG22 . ILE 15 15 ? A -5.658 -4.095 4.790 1.000 1 A 97.460 1
ATOM 244 H HG23 . ILE 15 15 ? A -4.690 -4.023 3.333 1.000 1 A 97.460 1
ATOM 245 H HD11 . ILE 15 15 ? A -8.794 -5.925 5.640 1.000 1 A 97.460 1
ATOM 246 H HD12 . ILE 15 15 ? A -7.099 -6.440 5.833 1.000 1 A 97.460 1
ATOM 247 H HD13 . ILE 15 15 ? A -7.556 -4.707 5.633 1.000 1 A 97.460 1
ATOM 248 N N . LEU 16 16 ? A -3.788 -5.984 1.115 1.000 1 A 98.490 1
ATOM 249 C CA . LEU 16 16 ? A -2.457 -5.455 0.805 1.000 1 A 98.490 1
ATOM 250 C C . LEU 16 16 ? A -1.875 -6.047 -0.478 1.000 1 A 98.490 1
ATOM 251 O O . LEU 16 16 ? A -1.554 -5.309 -1.410 1.000 1 A 98.490 1
ATOM 252 C CB . LEU 16 16 ? A -1.546 -5.696 2.022 1.000 1 A 98.490 1
ATOM 253 C CG . LEU 16 16 ? A -0.091 -5.229 1.854 1.000 1 A 98.490 1
ATOM 254 C CD1 . LEU 16 16 ? A 0.016 -3.705 1.797 1.000 1 A 98.490 1
ATOM 255 C CD2 . LEU 16 16 ? A 0.734 -5.749 3.029 1.000 1 A 98.490 1
ATOM 256 H H . LEU 16 16 ? A -3.855 -6.924 1.479 1.000 1 A 98.490 1
ATOM 257 H HA . LEU 16 16 ? A -2.527 -4.379 0.646 1.000 1 A 98.490 1
ATOM 258 H HB2 . LEU 16 16 ? A -1.984 -5.197 2.887 1.000 1 A 98.490 1
ATOM 259 H HB3 . LEU 16 16 ? A -1.524 -6.765 2.236 1.000 1 A 98.490 1
ATOM 260 H HG . LEU 16 16 ? A 0.335 -5.649 0.943 1.000 1 A 98.490 1
ATOM 261 H HD11 . LEU 16 16 ? A -0.439 -3.342 0.876 1.000 1 A 98.490 1
ATOM 262 H HD12 . LEU 16 16 ? A -0.496 -3.264 2.653 1.000 1 A 98.490 1
ATOM 263 H HD13 . LEU 16 16 ? A 1.062 -3.401 1.816 1.000 1 A 98.490 1
ATOM 264 H HD21 . LEU 16 16 ? A 0.709 -6.838 3.033 1.000 1 A 98.490 1
ATOM 265 H HD22 . LEU 16 16 ? A 1.769 -5.425 2.918 1.000 1 A 98.490 1
ATOM 266 H HD23 . LEU 16 16 ? A 0.329 -5.382 3.972 1.000 1 A 98.490 1
ATOM 267 N N . VAL 17 17 ? A -1.686 -7.370 -0.522 1.000 1 A 98.310 1
ATOM 268 C CA . VAL 17 17 ? A -0.870 -8.002 -1.575 1.000 1 A 98.310 1
ATOM 269 C C . VAL 17 17 ? A -1.532 -7.874 -2.942 1.000 1 A 98.310 1
ATOM 270 O O . VAL 17 17 ? A -0.844 -7.547 -3.908 1.000 1 A 98.310 1
ATOM 271 C CB . VAL 17 17 ? A -0.555 -9.477 -1.268 1.000 1 A 98.310 1
ATOM 272 C CG1 . VAL 17 17 ? A 0.311 -10.127 -2.355 1.000 1 A 98.310 1
ATOM 273 C CG2 . VAL 17 17 ? A 0.182 -9.610 0.070 1.000 1 A 98.310 1
ATOM 274 H H . VAL 17 17 ? A -2.038 -7.927 0.243 1.000 1 A 98.310 1
ATOM 275 H HA . VAL 17 17 ? A 0.078 -7.466 -1.636 1.000 1 A 98.310 1
ATOM 276 H HB . VAL 17 17 ? A -1.491 -10.035 -1.231 1.000 1 A 98.310 1
ATOM 277 H HG11 . VAL 17 17 ? A 1.228 -9.554 -2.493 1.000 1 A 98.310 1
ATOM 278 H HG12 . VAL 17 17 ? A -0.241 -10.166 -3.294 1.000 1 A 98.310 1
ATOM 279 H HG13 . VAL 17 17 ? A 0.557 -11.146 -2.058 1.000 1 A 98.310 1
ATOM 280 H HG21 . VAL 17 17 ? A 0.411 -10.660 0.255 1.000 1 A 98.310 1
ATOM 281 H HG22 . VAL 17 17 ? A 1.108 -9.034 0.054 1.000 1 A 98.310 1
ATOM 282 H HG23 . VAL 17 17 ? A -0.453 -9.259 0.883 1.000 1 A 98.310 1
ATOM 283 N N . GLY 18 18 ? A -2.847 -8.087 -3.033 1.000 1 A 97.930 1
ATOM 284 C CA . GLY 18 18 ? A -3.573 -7.947 -4.295 1.000 1 A 97.930 1
ATOM 285 C C . GLY 18 18 ? A -3.480 -6.537 -4.867 1.000 1 A 97.930 1
ATOM 286 O O . GLY 18 18 ? A -3.155 -6.380 -6.041 1.000 1 A 97.930 1
ATOM 287 H H . GLY 18 18 ? A -3.368 -8.359 -2.211 1.000 1 A 97.930 1
ATOM 288 H HA2 . GLY 18 18 ? A -3.176 -8.647 -5.030 1.000 1 A 97.930 1
ATOM 289 H HA3 . GLY 18 18 ? A -4.628 -8.171 -4.138 1.000 1 A 97.930 1
ATOM 290 N N . TYR 19 19 ? A -3.647 -5.506 -4.028 1.000 1 A 98.500 1
ATOM 291 C CA . TYR 19 19 ? A -3.488 -4.121 -4.475 1.000 1 A 98.500 1
ATOM 292 C C . TYR 19 19 ? A -2.067 -3.835 -4.972 1.000 1 A 98.500 1
ATOM 293 O O . TYR 19 19 ? A -1.918 -3.239 -6.035 1.000 1 A 98.500 1
ATOM 294 C CB . TYR 19 19 ? A -3.875 -3.130 -3.371 1.000 1 A 98.500 1
ATOM 295 C CG . TYR 19 19 ? A -3.735 -1.687 -3.830 1.000 1 A 98.500 1
ATOM 296 C CD1 . TYR 19 19 ? A -2.590 -0.938 -3.491 1.000 1 A 98.500 1
ATOM 297 C CD2 . TYR 19 19 ? A -4.731 -1.114 -4.645 1.000 1 A 98.500 1
ATOM 298 C CE1 . TYR 19 19 ? A -2.450 0.390 -3.943 1.000 1 A 98.500 1
ATOM 299 C CE2 . TYR 19 19 ? A -4.591 0.210 -5.103 1.000 1 A 98.500 1
ATOM 300 C CZ . TYR 19 19 ? A -3.454 0.964 -4.753 1.000 1 A 98.500 1
ATOM 301 O OH . TYR 19 19 ? A -3.344 2.245 -5.193 1.000 1 A 98.500 1
ATOM 302 H H . TYR 19 19 ? A -3.883 -5.686 -3.063 1.000 1 A 98.500 1
ATOM 303 H HA . TYR 19 19 ? A -4.158 -3.958 -5.319 1.000 1 A 98.500 1
ATOM 304 H HB2 . TYR 19 19 ? A -4.909 -3.308 -3.076 1.000 1 A 98.500 1
ATOM 305 H HB3 . TYR 19 19 ? A -3.247 -3.294 -2.496 1.000 1 A 98.500 1
ATOM 306 H HD1 . TYR 19 19 ? A -1.814 -1.388 -2.890 1.000 1 A 98.500 1
ATOM 307 H HD2 . TYR 19 19 ? A -5.603 -1.691 -4.916 1.000 1 A 98.500 1
ATOM 308 H HE1 . TYR 19 19 ? A -1.573 0.963 -3.683 1.000 1 A 98.500 1
ATOM 309 H HE2 . TYR 19 19 ? A -5.353 0.667 -5.718 1.000 1 A 98.500 1
ATOM 310 H HH . TYR 19 19 ? A -2.528 2.670 -4.919 1.000 1 A 98.500 1
ATOM 311 N N . ILE 20 20 ? A -1.023 -4.281 -4.257 1.000 1 A 98.550 1
ATOM 312 C CA . ILE 20 20 ? A 0.365 -4.077 -4.707 1.000 1 A 98.550 1
ATOM 313 C C . ILE 20 20 ? A 0.601 -4.759 -6.058 1.000 1 A 98.550 1
ATOM 314 O O . ILE 20 20 ? A 1.134 -4.118 -6.959 1.000 1 A 98.550 1
ATOM 315 C CB . ILE 20 20 ? A 1.406 -4.546 -3.663 1.000 1 A 98.550 1
ATOM 316 C CG1 . ILE 20 20 ? A 1.314 -3.710 -2.368 1.000 1 A 98.550 1
ATOM 317 C CG2 . ILE 20 20 ? A 2.823 -4.426 -4.268 1.000 1 A 98.550 1
ATOM 318 C CD1 . ILE 20 20 ? A 2.144 -4.281 -1.211 1.000 1 A 98.550 1
ATOM 319 H H . ILE 20 20 ? A -1.201 -4.767 -3.390 1.000 1 A 98.550 1
ATOM 320 H HA . ILE 20 20 ? A 0.511 -3.009 -4.870 1.000 1 A 98.550 1
ATOM 321 H HB . ILE 20 20 ? A 1.215 -5.592 -3.421 1.000 1 A 98.550 1
ATOM 322 H HG12 . ILE 20 20 ? A 0.277 -3.660 -2.035 1.000 1 A 98.550 1
ATOM 323 H HG13 . ILE 20 20 ? A 1.641 -2.690 -2.568 1.000 1 A 98.550 1
ATOM 324 H HG21 . ILE 20 20 ? A 3.601 -4.555 -3.516 1.000 1 A 98.550 1
ATOM 325 H HG22 . ILE 20 20 ? A 2.950 -3.445 -4.728 1.000 1 A 98.550 1
ATOM 326 H HG23 . ILE 20 20 ? A 2.975 -5.187 -5.033 1.000 1 A 98.550 1
ATOM 327 H HD11 . ILE 20 20 ? A 1.934 -3.708 -0.307 1.000 1 A 98.550 1
ATOM 328 H HD12 . ILE 20 20 ? A 3.212 -4.205 -1.416 1.000 1 A 98.550 1
ATOM 329 H HD13 . ILE 20 20 ? A 1.878 -5.324 -1.039 1.000 1 A 98.550 1
ATOM 330 N N . LYS 21 21 ? A 0.188 -6.025 -6.214 1.000 1 A 98.370 1
ATOM 331 C CA . LYS 21 21 ? A 0.348 -6.777 -7.470 1.000 1 A 98.370 1
ATOM 332 C C . LYS 21 21 ? A -0.358 -6.095 -8.640 1.000 1 A 98.370 1
ATOM 333 O O . LYS 21 21 ? A 0.230 -5.972 -9.710 1.000 1 A 98.370 1
ATOM 334 C CB . LYS 21 21 ? A -0.179 -8.206 -7.308 1.000 1 A 98.370 1
ATOM 335 C CG . LYS 21 21 ? A 0.764 -9.093 -6.488 1.000 1 A 98.370 1
ATOM 336 C CD . LYS 21 21 ? A 0.165 -10.499 -6.406 1.000 1 A 98.370 1
ATOM 337 C CE . LYS 21 21 ? A 1.133 -11.464 -5.720 1.000 1 A 98.370 1
ATOM 338 N NZ . LYS 21 21 ? A 0.567 -12.835 -5.695 1.000 1 A 98.370 1
ATOM 339 H H . LYS 21 21 ? A -0.276 -6.474 -5.438 1.000 1 A 98.370 1
ATOM 340 H HA . LYS 21 21 ? A 1.403 -6.824 -7.739 1.000 1 A 98.370 1
ATOM 341 H HB2 . LYS 21 21 ? A -1.168 -8.183 -6.848 1.000 1 A 98.370 1
ATOM 342 H HB3 . LYS 21 21 ? A -0.272 -8.648 -8.299 1.000 1 A 98.370 1
ATOM 343 H HG2 . LYS 21 21 ? A 0.897 -8.687 -5.485 1.000 1 A 98.370 1
ATOM 344 H HG3 . LYS 21 21 ? A 1.733 -9.138 -6.985 1.000 1 A 98.370 1
ATOM 345 H HD2 . LYS 21 21 ? A -0.038 -10.854 -7.417 1.000 1 A 98.370 1
ATOM 346 H HD3 . LYS 21 21 ? A -0.774 -10.455 -5.854 1.000 1 A 98.370 1
ATOM 347 H HE2 . LYS 21 21 ? A 1.328 -11.108 -4.709 1.000 1 A 98.370 1
ATOM 348 H HE3 . LYS 21 21 ? A 2.073 -11.453 -6.272 1.000 1 A 98.370 1
ATOM 349 H HZ1 . LYS 21 21 ? A 1.207 -13.485 -5.261 1.000 1 A 98.370 1
ATOM 350 H HZ2 . LYS 21 21 ? A -0.309 -12.848 -5.192 1.000 1 A 98.370 1
ATOM 351 H HZ3 . LYS 21 21 ? A 0.384 -13.146 -6.638 1.000 1 A 98.370 1
ATOM 352 N N . TYR 22 22 ? A -1.580 -5.609 -8.427 1.000 1 A 98.350 1
ATOM 353 C CA . TYR 22 22 ? A -2.298 -4.819 -9.427 1.000 1 A 98.350 1
ATOM 354 C C . TYR 22 22 ? A -1.538 -3.532 -9.763 1.000 1 A 98.350 1
ATOM 355 O O . TYR 22 22 ? A -1.293 -3.236 -10.927 1.000 1 A 98.350 1
ATOM 356 C CB . TYR 22 22 ? A -3.713 -4.526 -8.914 1.000 1 A 98.350 1
ATOM 357 C CG . TYR 22 22 ? A -4.370 -3.335 -9.579 1.000 1 A 98.350 1
ATOM 358 C CD1 . TYR 22 22 ? A -4.334 -2.073 -8.952 1.000 1 A 98.350 1
ATOM 359 C CD2 . TYR 22 22 ? A -4.944 -3.477 -10.856 1.000 1 A 98.350 1
ATOM 360 C CE1 . TYR 22 22 ? A -4.852 -0.945 -9.614 1.000 1 A 98.350 1
ATOM 361 C CE2 . TYR 22 22 ? A -5.496 -2.357 -11.504 1.000 1 A 98.350 1
ATOM 362 C CZ . TYR 22 22 ? A -5.441 -1.090 -10.890 1.000 1 A 98.350 1
ATOM 363 O OH . TYR 22 22 ? A -6.003 -0.014 -11.502 1.000 1 A 98.350 1
ATOM 364 H H . TYR 22 22 ? A -2.029 -5.786 -7.539 1.000 1 A 98.350 1
ATOM 365 H HA . TYR 22 22 ? A -2.380 -5.388 -10.354 1.000 1 A 98.350 1
ATOM 366 H HB2 . TYR 22 22 ? A -3.686 -4.347 -7.839 1.000 1 A 98.350 1
ATOM 367 H HB3 . TYR 22 22 ? A -4.322 -5.412 -9.096 1.000 1 A 98.350 1
ATOM 368 H HD1 . TYR 22 22 ? A -3.871 -1.967 -7.982 1.000 1 A 98.350 1
ATOM 369 H HD2 . TYR 22 22 ? A -4.935 -4.439 -11.346 1.000 1 A 98.350 1
ATOM 370 H HE1 . TYR 22 22 ? A -4.803 0.026 -9.143 1.000 1 A 98.350 1
ATOM 371 H HE2 . TYR 22 22 ? A -5.925 -2.448 -12.491 1.000 1 A 98.350 1
ATOM 372 H HH . TYR 22 22 ? A -5.728 0.811 -11.095 1.000 1 A 98.350 1
ATOM 373 N N . TYR 23 23 ? A -1.099 -2.792 -8.744 1.000 1 A 98.190 1
ATOM 374 C CA . TYR 23 23 ? A -0.435 -1.500 -8.912 1.000 1 A 98.190 1
ATOM 375 C C . TYR 23 23 ? A 0.895 -1.602 -9.683 1.000 1 A 98.190 1
ATOM 376 O O . TYR 23 23 ? A 1.276 -0.675 -10.397 1.000 1 A 98.190 1
ATOM 377 C CB . TYR 23 23 ? A -0.240 -0.895 -7.516 1.000 1 A 98.190 1
ATOM 378 C CG . TYR 23 23 ? A 0.187 0.556 -7.522 1.000 1 A 98.190 1
ATOM 379 C CD1 . TYR 23 23 ? A 1.549 0.884 -7.649 1.000 1 A 98.190 1
ATOM 380 C CD2 . TYR 23 23 ? A -0.780 1.575 -7.406 1.000 1 A 98.190 1
ATOM 381 C CE1 . TYR 23 23 ? A 1.946 2.230 -7.700 1.000 1 A 98.190 1
ATOM 382 C CE2 . TYR 23 23 ? A -0.383 2.926 -7.434 1.000 1 A 98.190 1
ATOM 383 C CZ . TYR 23 23 ? A 0.979 3.250 -7.601 1.000 1 A 98.190 1
ATOM 384 O OH . TYR 23 23 ? A 1.380 4.541 -7.694 1.000 1 A 98.190 1
ATOM 385 H H . TYR 23 23 ? A -1.316 -3.094 -7.806 1.000 1 A 98.190 1
ATOM 386 H HA . TYR 23 23 ? A -1.093 -0.847 -9.486 1.000 1 A 98.190 1
ATOM 387 H HB2 . TYR 23 23 ? A 0.497 -1.485 -6.972 1.000 1 A 98.190 1
ATOM 388 H HB3 . TYR 23 23 ? A -1.182 -0.958 -6.971 1.000 1 A 98.190 1
ATOM 389 H HD1 . TYR 23 23 ? A 2.283 0.096 -7.740 1.000 1 A 98.190 1
ATOM 390 H HD2 . TYR 23 23 ? A -1.826 1.320 -7.323 1.000 1 A 98.190 1
ATOM 391 H HE1 . TYR 23 23 ? A 2.989 2.480 -7.828 1.000 1 A 98.190 1
ATOM 392 H HE2 . TYR 23 23 ? A -1.109 3.725 -7.382 1.000 1 A 98.190 1
ATOM 393 H HH . TYR 23 23 ? A 2.270 4.602 -8.049 1.000 1 A 98.190 1
ATOM 394 N N . ILE 24 24 ? A 1.607 -2.729 -9.567 1.000 1 A 97.150 1
ATOM 395 C CA . ILE 24 24 ? A 2.843 -2.995 -10.325 1.000 1 A 97.150 1
ATOM 396 C C . ILE 24 24 ? A 2.613 -3.695 -11.673 1.000 1 A 97.150 1
ATOM 397 O O . ILE 24 24 ? A 3.589 -3.982 -12.364 1.000 1 A 97.150 1
ATOM 398 C CB . ILE 24 24 ? A 3.921 -3.686 -9.461 1.000 1 A 97.150 1
ATOM 399 C CG1 . ILE 24 24 ? A 3.538 -5.141 -9.124 1.000 1 A 97.150 1
ATOM 400 C CG2 . ILE 24 24 ? A 4.210 -2.836 -8.211 1.000 1 A 97.150 1
ATOM 401 C CD1 . ILE 24 24 ? A 4.532 -5.862 -8.208 1.000 1 A 97.150 1
ATOM 402 H H . ILE 24 24 ? A 1.272 -3.437 -8.930 1.000 1 A 97.150 1
ATOM 403 H HA . ILE 24 24 ? A 3.264 -2.028 -10.600 1.000 1 A 97.150 1
ATOM 404 H HB . ILE 24 24 ? A 4.842 -3.716 -10.044 1.000 1 A 97.150 1
ATOM 405 H HG12 . ILE 24 24 ? A 2.557 -5.157 -8.648 1.000 1 A 97.150 1
ATOM 406 H HG13 . ILE 24 24 ? A 3.464 -5.709 -10.051 1.000 1 A 97.150 1
ATOM 407 H HG21 . ILE 24 24 ? A 5.143 -3.163 -7.751 1.000 1 A 97.150 1
ATOM 408 H HG22 . ILE 24 24 ? A 4.309 -1.788 -8.494 1.000 1 A 97.150 1
ATOM 409 H HG23 . ILE 24 24 ? A 3.399 -2.931 -7.488 1.000 1 A 97.150 1
ATOM 410 H HD11 . ILE 24 24 ? A 5.508 -5.918 -8.688 1.000 1 A 97.150 1
ATOM 411 H HD12 . ILE 24 24 ? A 4.618 -5.349 -7.250 1.000 1 A 97.150 1
ATOM 412 H HD13 . ILE 24 24 ? A 4.168 -6.871 -8.010 1.000 1 A 97.150 1
ATOM 413 N N . ASN 25 25 ? A 1.352 -3.898 -12.073 1.000 1 A 97.500 1
ATOM 414 C CA . ASN 25 25 ? A 0.925 -4.602 -13.288 1.000 1 A 97.500 1
ATOM 415 C C . ASN 25 25 ? A 1.331 -6.087 -13.342 1.000 1 A 97.500 1
ATOM 416 O O . ASN 25 25 ? A 1.487 -6.640 -14.429 1.000 1 A 97.500 1
ATOM 417 C CB . ASN 25 25 ? A 1.344 -3.832 -14.555 1.000 1 A 97.500 1
ATOM 418 C CG . ASN 25 25 ? A 0.993 -2.362 -14.530 1.000 1 A 97.500 1
ATOM 419 O OD1 . ASN 25 25 ? A -0.143 -1.954 -14.401 1.000 1 A 97.500 1
ATOM 420 N ND2 . ASN 25 25 ? A 1.967 -1.499 -14.708 1.000 1 A 97.500 1
ATOM 421 H H . ASN 25 25 ? A 0.607 -3.574 -11.473 1.000 1 A 97.500 1
ATOM 422 H HA . ASN 25 25 ? A -0.164 -4.606 -13.266 1.000 1 A 97.500 1
ATOM 423 H HB2 . ASN 25 25 ? A 2.417 -3.955 -14.704 1.000 1 A 97.500 1
ATOM 424 H HB3 . ASN 25 25 ? A 0.842 -4.276 -15.415 1.000 1 A 97.500 1
ATOM 425 H HD21 . ASN 25 25 ? A 2.890 -1.858 -14.911 1.000 1 A 97.500 1
ATOM 426 H HD22 . ASN 25 25 ? A 1.671 -0.534 -14.736 1.000 1 A 97.500 1
ATOM 427 N N . ASP 26 26 ? A 1.504 -6.737 -12.188 1.000 1 A 97.610 1
ATOM 428 C CA . ASP 26 26 ? A 1.724 -8.190 -12.122 1.000 1 A 97.610 1
ATOM 429 C C . ASP 26 26 ? A 0.410 -8.974 -12.291 1.000 1 A 97.610 1
ATOM 430 O O . ASP 26 26 ? A 0.441 -10.134 -12.693 1.000 1 A 97.610 1
ATOM 431 C CB . ASP 26 26 ? A 2.390 -8.571 -10.788 1.000 1 A 97.610 1
ATOM 432 C CG . ASP 26 26 ? A 3.918 -8.418 -10.730 1.000 1 A 97.610 1
ATOM 433 O OD1 . ASP 26 26 ? A 4.578 -7.965 -11.697 1.000 1 A 97.610 1
ATOM 434 O OD2 . ASP 26 26 ? A 4.470 -8.786 -9.670 1.000 1 A 97.610 1
ATOM 435 H H . ASP 26 26 ? A 1.328 -6.243 -11.325 1.000 1 A 97.610 1
ATOM 436 H HA . ASP 26 26 ? A 2.381 -8.497 -12.936 1.000 1 A 97.610 1
ATOM 437 H HB2 . ASP 26 26 ? A 2.174 -9.620 -10.587 1.000 1 A 97.610 1
ATOM 438 H HB3 . ASP 26 26 ? A 1.940 -7.997 -9.977 1.000 1 A 97.610 1
ATOM 439 N N . ILE 27 27 ? A -0.732 -8.349 -11.985 1.000 1 A 97.680 1
ATOM 440 C CA . ILE 27 27 ? A -2.079 -8.871 -12.254 1.000 1 A 97.680 1
ATOM 441 C C . ILE 27 27 ? A -2.940 -7.780 -12.892 1.000 1 A 97.680 1
ATOM 442 O O . ILE 27 27 ? A -2.738 -6.585 -12.656 1.000 1 A 97.680 1
ATOM 443 C CB . ILE 27 27 ? A -2.763 -9.456 -10.994 1.000 1 A 97.680 1
ATOM 444 C CG1 . ILE 27 27 ? A -3.022 -8.376 -9.922 1.000 1 A 97.680 1
ATOM 445 C CG2 . ILE 27 27 ? A -1.950 -10.640 -10.441 1.000 1 A 97.680 1
ATOM 446 C CD1 . ILE 27 27 ? A -3.742 -8.874 -8.665 1.000 1 A 97.680 1
ATOM 447 H H . ILE 27 27 ? A -0.669 -7.381 -11.702 1.000 1 A 97.680 1
ATOM 448 H HA . ILE 27 27 ? A -2.003 -9.678 -12.983 1.000 1 A 97.680 1
ATOM 449 H HB . ILE 27 27 ? A -3.730 -9.851 -11.305 1.000 1 A 97.680 1
ATOM 450 H HG12 . ILE 27 27 ? A -3.640 -7.587 -10.350 1.000 1 A 97.680 1
ATOM 451 H HG13 . ILE 27 27 ? A -2.066 -7.943 -9.627 1.000 1 A 97.680 1
ATOM 452 H HG21 . ILE 27 27 ? A -1.752 -11.337 -11.256 1.000 1 A 97.680 1
ATOM 453 H HG22 . ILE 27 27 ? A -1.001 -10.296 -10.029 1.000 1 A 97.680 1
ATOM 454 H HG23 . ILE 27 27 ? A -2.528 -11.172 -9.686 1.000 1 A 97.680 1
ATOM 455 H HD11 . ILE 27 27 ? A -3.116 -9.578 -8.118 1.000 1 A 97.680 1
ATOM 456 H HD12 . ILE 27 27 ? A -3.955 -8.024 -8.017 1.000 1 A 97.680 1
ATOM 457 H HD13 . ILE 27 27 ? A -4.680 -9.355 -8.943 1.000 1 A 97.680 1
ATOM 458 N N . SER 28 28 ? A -3.921 -8.193 -13.682 1.000 1 A 96.990 1
ATOM 459 C CA . SER 28 28 ? A -4.928 -7.316 -14.269 1.000 1 A 96.990 1
ATOM 460 C C . SER 28 28 ? A -6.036 -6.961 -13.273 1.000 1 A 96.990 1
ATOM 461 O O . SER 28 28 ? A -6.243 -7.622 -12.257 1.000 1 A 96.990 1
ATOM 462 C CB . SER 28 28 ? A -5.502 -7.965 -15.532 1.000 1 A 96.990 1
ATOM 463 O OG . SER 28 28 ? A -6.269 -9.107 -15.219 1.000 1 A 96.990 1
ATOM 464 H H . SER 28 28 ? A -4.033 -9.189 -13.803 1.000 1 A 96.990 1
ATOM 465 H HA . SER 28 28 ? A -4.440 -6.388 -14.567 1.000 1 A 96.990 1
ATOM 466 H HB2 . SER 28 28 ? A -6.139 -7.246 -16.048 1.000 1 A 96.990 1
ATOM 467 H HB3 . SER 28 28 ? A -4.686 -8.247 -16.198 1.000 1 A 96.990 1
ATOM 468 H HG . SER 28 28 ? A -5.674 -9.769 -14.861 1.000 1 A 96.990 1
ATOM 469 N N . GLU 29 29 ? A -6.806 -5.916 -13.580 1.000 1 A 95.680 1
ATOM 470 C CA . GLU 29 29 ? A -7.955 -5.517 -12.759 1.000 1 A 95.680 1
ATOM 471 C C . GLU 29 29 ? A -9.019 -6.621 -12.630 1.000 1 A 95.680 1
ATOM 472 O O . GLU 29 29 ? A -9.650 -6.743 -11.583 1.000 1 A 95.680 1
ATOM 473 C CB . GLU 29 29 ? A -8.556 -4.245 -13.369 1.000 1 A 95.680 1
ATOM 474 C CG . GLU 29 29 ? A -9.798 -3.773 -12.602 1.000 1 A 95.680 1
ATOM 475 C CD . GLU 29 29 ? A -10.235 -2.350 -12.945 1.000 1 A 95.680 1
ATOM 476 O OE1 . GLU 29 29 ? A -11.203 -1.897 -12.292 1.000 1 A 95.680 1
ATOM 477 O OE2 . GLU 29 29 ? A -9.466 -1.586 -13.561 1.000 1 A 95.680 1
ATOM 478 H H . GLU 29 29 ? A -6.593 -5.376 -14.406 1.000 1 A 95.680 1
ATOM 479 H HA . GLU 29 29 ? A -7.608 -5.292 -11.751 1.000 1 A 95.680 1
ATOM 480 H HB2 . GLU 29 29 ? A -8.828 -4.426 -14.409 1.000 1 A 95.680 1
ATOM 481 H HB3 . GLU 29 29 ? A -7.790 -3.470 -13.339 1.000 1 A 95.680 1
ATOM 482 H HG2 . GLU 29 29 ? A -10.626 -4.453 -12.805 1.000 1 A 95.680 1
ATOM 483 H HG3 . GLU 29 29 ? A -9.579 -3.807 -11.535 1.000 1 A 95.680 1
ATOM 484 N N . HIS 30 30 ? A -9.198 -7.448 -13.664 1.000 1 A 96.180 1
ATOM 485 C CA . HIS 30 30 ? A -10.175 -8.542 -13.664 1.000 1 A 96.180 1
ATOM 486 C C . HIS 30 30 ? A -9.814 -9.678 -12.699 1.000 1 A 96.180 1
ATOM 487 O O . HIS 30 30 ? A -10.683 -10.468 -12.340 1.000 1 A 96.180 1
ATOM 488 C CB . HIS 30 30 ? A -10.319 -9.086 -15.090 1.000 1 A 96.180 1
ATOM 489 C CG . HIS 30 30 ? A -10.819 -8.057 -16.069 1.000 1 A 96.180 1
ATOM 490 N ND1 . HIS 30 30 ? A -12.033 -7.412 -16.015 1.000 1 A 96.180 1
ATOM 491 C CD2 . HIS 30 30 ? A -10.149 -7.569 -17.158 1.000 1 A 96.180 1
ATOM 492 C CE1 . HIS 30 30 ? A -12.093 -6.554 -17.046 1.000 1 A 96.180 1
ATOM 493 N NE2 . HIS 30 30 ? A -10.969 -6.616 -17.774 1.000 1 A 96.180 1
ATOM 494 H H . HIS 30 30 ? A -8.602 -7.345 -14.473 1.000 1 A 96.180 1
ATOM 495 H HA . HIS 30 30 ? A -11.138 -8.149 -13.337 1.000 1 A 96.180 1
ATOM 496 H HB2 . HIS 30 30 ? A -11.023 -9.918 -15.081 1.000 1 A 96.180 1
ATOM 497 H HB3 . HIS 30 30 ? A -9.355 -9.468 -15.426 1.000 1 A 96.180 1
ATOM 498 H HD1 . HIS 30 30 ? A -12.737 -7.537 -15.302 1.000 1 A 96.180 1
ATOM 499 H HD2 . HIS 30 30 ? A -9.162 -7.865 -17.480 1.000 1 A 96.180 1
ATOM 500 H HE1 . HIS 30 30 ? A -12.921 -5.894 -17.258 1.000 1 A 96.180 1
ATOM 501 N N . GLU 31 31 ? A -8.552 -9.754 -12.274 1.000 1 A 97.490 1
ATOM 502 C CA . GLU 31 31 ? A -8.070 -10.731 -11.294 1.000 1 A 97.490 1
ATOM 503 C C . GLU 31 31 ? A -8.274 -10.263 -9.846 1.000 1 A 97.490 1
ATOM 504 O O . GLU 31 31 ? A -8.083 -11.049 -8.919 1.000 1 A 97.490 1
ATOM 505 C CB . GLU 31 31 ? A -6.590 -11.029 -11.570 1.000 1 A 97.490 1
ATOM 506 C CG . GLU 31 31 ? A -6.384 -11.766 -12.899 1.000 1 A 97.490 1
ATOM 507 C CD . GLU 31 31 ? A -4.907 -11.755 -13.290 1.000 1 A 97.490 1
ATOM 508 O OE1 . GLU 31 31 ? A -4.156 -12.613 -12.782 1.000 1 A 97.490 1
ATOM 509 O OE2 . GLU 31 31 ? A -4.543 -10.852 -14.084 1.000 1 A 97.490 1
ATOM 510 H H . GLU 31 31 ? A -7.884 -9.074 -12.607 1.000 1 A 97.490 1
ATOM 511 H HA . GLU 31 31 ? A -8.629 -11.660 -11.401 1.000 1 A 97.490 1
ATOM 512 H HB2 . GLU 31 31 ? A -6.187 -11.649 -10.769 1.000 1 A 97.490 1
ATOM 513 H HB3 . GLU 31 31 ? A -6.036 -10.090 -11.581 1.000 1 A 97.490 1
ATOM 514 H HG2 . GLU 31 31 ? A -6.967 -11.291 -13.689 1.000 1 A 97.490 1
ATOM 515 H HG3 . GLU 31 31 ? A -6.741 -12.791 -12.799 1.000 1 A 97.490 1
ATOM 516 N N . LEU 32 32 ? A -8.677 -9.003 -9.630 1.000 1 A 97.390 1
ATOM 517 C CA . LEU 32 32 ? A -9.000 -8.497 -8.300 1.000 1 A 97.390 1
ATOM 518 C C . LEU 32 32 ? A -10.341 -9.046 -7.809 1.000 1 A 97.390 1
ATOM 519 O O . LEU 32 32 ? A -11.342 -9.030 -8.533 1.000 1 A 97.390 1
ATOM 520 C CB . LEU 32 32 ? A -9.019 -6.960 -8.285 1.000 1 A 97.390 1
ATOM 521 C CG . LEU 32 32 ? A -7.661 -6.283 -8.526 1.000 1 A 97.390 1
ATOM 522 C CD1 . LEU 32 32 ? A -7.855 -4.765 -8.456 1.000 1 A 97.390 1
ATOM 523 C CD2 . LEU 32 32 ? A -6.622 -6.693 -7.479 1.000 1 A 97.390 1
ATOM 524 H H . LEU 32 32 ? A -8.867 -8.415 -10.429 1.000 1 A 97.390 1
ATOM 525 H HA . LEU 32 32 ? A -8.237 -8.850 -7.607 1.000 1 A 97.390 1
ATOM 526 H HB2 . LEU 32 32 ? A -9.728 -6.615 -9.038 1.000 1 A 97.390 1
ATOM 527 H HB3 . LEU 32 32 ? A -9.397 -6.634 -7.315 1.000 1 A 97.390 1
ATOM 528 H HG . LEU 32 32 ? A -7.289 -6.539 -9.518 1.000 1 A 97.390 1
ATOM 529 H HD11 . LEU 32 32 ? A -8.208 -4.479 -7.465 1.000 1 A 97.390 1
ATOM 530 H HD12 . LEU 32 32 ? A -8.584 -4.465 -9.208 1.000 1 A 97.390 1
ATOM 531 H HD13 . LEU 32 32 ? A -6.907 -4.268 -8.665 1.000 1 A 97.390 1
ATOM 532 H HD21 . LEU 32 32 ? A -5.727 -6.077 -7.563 1.000 1 A 97.390 1
ATOM 533 H HD22 . LEU 32 32 ? A -6.341 -7.734 -7.637 1.000 1 A 97.390 1
ATOM 534 H HD23 . LEU 32 32 ? A -7.028 -6.589 -6.472 1.000 1 A 97.390 1
ATOM 535 N N . SER 33 33 ? A -10.382 -9.432 -6.534 1.000 1 A 97.260 1
ATOM 536 C CA . SER 33 33 ? A -11.618 -9.794 -5.845 1.000 1 A 97.260 1
ATOM 537 C C . SER 33 33 ? A -12.610 -8.615 -5.827 1.000 1 A 97.260 1
ATOM 538 O O . SER 33 33 ? A -12.204 -7.447 -5.903 1.000 1 A 97.260 1
ATOM 539 C CB . SER 33 33 ? A -11.311 -10.278 -4.418 1.000 1 A 97.260 1
ATOM 540 O OG . SER 33 33 ? A -11.177 -9.172 -3.550 1.000 1 A 97.260 1
ATOM 541 H H . SER 33 33 ? A -9.528 -9.383 -5.997 1.000 1 A 97.260 1
ATOM 542 H HA . SER 33 33 ? A -12.057 -10.625 -6.396 1.000 1 A 97.260 1
ATOM 543 H HB2 . SER 33 33 ? A -10.395 -10.869 -4.413 1.000 1 A 97.260 1
ATOM 544 H HB3 . SER 33 33 ? A -12.129 -10.903 -4.061 1.000 1 A 97.260 1
ATOM 545 H HG . SER 33 33 ? A -10.729 -9.472 -2.756 1.000 1 A 97.260 1
ATOM 546 N N . PRO 34 34 ? A -13.923 -8.862 -5.658 1.000 1 A 96.230 1
ATOM 547 C CA . PRO 34 34 ? A -14.896 -7.784 -5.486 1.000 1 A 96.230 1
ATOM 548 C C . PRO 34 34 ? A -14.540 -6.830 -4.337 1.000 1 A 96.230 1
ATOM 549 O O . PRO 34 34 ? A -14.754 -5.625 -4.449 1.000 1 A 96.230 1
ATOM 550 C CB . PRO 34 34 ? A -16.231 -8.489 -5.230 1.000 1 A 96.230 1
ATOM 551 C CG . PRO 34 34 ? A -16.063 -9.831 -5.942 1.000 1 A 96.230 1
ATOM 552 C CD . PRO 34 34 ? A -14.588 -10.155 -5.716 1.000 1 A 96.230 1
ATOM 553 H HA . PRO 34 34 ? A -14.956 -7.215 -6.415 1.000 1 A 96.230 1
ATOM 554 H HB2 . PRO 34 34 ? A -16.369 -8.665 -4.163 1.000 1 A 96.230 1
ATOM 555 H HB3 . PRO 34 34 ? A -17.069 -7.920 -5.633 1.000 1 A 96.230 1
ATOM 556 H HG2 . PRO 34 34 ? A -16.249 -9.705 -7.009 1.000 1 A 96.230 1
ATOM 557 H HG3 . PRO 34 34 ? A -16.715 -10.598 -5.524 1.000 1 A 96.230 1
ATOM 558 H HD2 . PRO 34 34 ? A -14.214 -10.767 -6.537 1.000 1 A 96.230 1
ATOM 559 H HD3 . PRO 34 34 ? A -14.462 -10.674 -4.765 1.000 1 A 96.230 1
ATOM 560 N N . TYR 35 35 ? A -13.956 -7.353 -3.255 1.000 1 A 97.010 1
ATOM 561 C CA . TYR 35 35 ? A -13.471 -6.558 -2.130 1.000 1 A 97.010 1
ATOM 562 C C . TYR 35 35 ? A -12.323 -5.633 -2.553 1.000 1 A 97.010 1
ATOM 563 O O . TYR 35 35 ? A -12.389 -4.417 -2.351 1.000 1 A 97.010 1
ATOM 564 C CB . TYR 35 35 ? A -13.029 -7.516 -1.017 1.000 1 A 97.010 1
ATOM 565 C CG . TYR 35 35 ? A -12.503 -6.803 0.205 1.000 1 A 97.010 1
ATOM 566 C CD1 . TYR 35 35 ? A -11.131 -6.510 0.330 1.000 1 A 97.010 1
ATOM 567 C CD2 . TYR 35 35 ? A -13.401 -6.441 1.221 1.000 1 A 97.010 1
ATOM 568 C CE1 . TYR 35 35 ? A -10.662 -5.829 1.470 1.000 1 A 97.010 1
ATOM 569 C CE2 . TYR 35 35 ? A -12.933 -5.784 2.367 1.000 1 A 97.010 1
ATOM 570 C CZ . TYR 35 35 ? A -11.568 -5.458 2.487 1.000 1 A 97.010 1
ATOM 571 O OH . TYR 35 35 ? A -11.143 -4.826 3.606 1.000 1 A 97.010 1
ATOM 572 H H . TYR 35 35 ? A -13.721 -8.336 -3.264 1.000 1 A 97.010 1
ATOM 573 H HA . TYR 35 35 ? A -14.280 -5.933 -1.752 1.000 1 A 97.010 1
ATOM 574 H HB2 . TYR 35 35 ? A -12.252 -8.184 -1.389 1.000 1 A 97.010 1
ATOM 575 H HB3 . TYR 35 35 ? A -13.877 -8.135 -0.726 1.000 1 A 97.010 1
ATOM 576 H HD1 . TYR 35 35 ? A -10.437 -6.823 -0.436 1.000 1 A 97.010 1
ATOM 577 H HD2 . TYR 35 35 ? A -14.447 -6.699 1.139 1.000 1 A 97.010 1
ATOM 578 H HE1 . TYR 35 35 ? A -9.610 -5.607 1.575 1.000 1 A 97.010 1
ATOM 579 H HE2 . TYR 35 35 ? A -13.619 -5.564 3.171 1.000 1 A 97.010 1
ATOM 580 H HH . TYR 35 35 ? A -11.887 -4.630 4.180 1.000 1 A 97.010 1
ATOM 581 N N . GLN 36 36 ? A -11.310 -6.195 -3.217 1.000 1 A 97.910 1
ATOM 582 C CA . GLN 36 36 ? A -10.155 -5.463 -3.732 1.000 1 A 97.910 1
ATOM 583 C C . GLN 36 36 ? A -10.561 -4.355 -4.701 1.000 1 A 97.910 1
ATOM 584 O O . GLN 36 36 ? A -10.035 -3.248 -4.614 1.000 1 A 97.910 1
ATOM 585 C CB . GLN 36 36 ? A -9.210 -6.439 -4.427 1.000 1 A 97.910 1
ATOM 586 C CG . GLN 36 36 ? A -8.390 -7.231 -3.407 1.000 1 A 97.910 1
ATOM 587 C CD . GLN 36 36 ? A -7.673 -8.431 -4.005 1.000 1 A 97.910 1
ATOM 588 O OE1 . GLN 36 36 ? A -7.918 -8.872 -5.115 1.000 1 A 97.910 1
ATOM 589 N NE2 . GLN 36 36 ? A -6.728 -9.003 -3.299 1.000 1 A 97.910 1
ATOM 590 H H . GLN 36 36 ? A -11.334 -7.193 -3.370 1.000 1 A 97.910 1
ATOM 591 H HA . GLN 36 36 ? A -9.615 -5.007 -2.903 1.000 1 A 97.910 1
ATOM 592 H HB2 . GLN 36 36 ? A -8.521 -5.873 -5.054 1.000 1 A 97.910 1
ATOM 593 H HB3 . GLN 36 36 ? A -9.788 -7.116 -5.056 1.000 1 A 97.910 1
ATOM 594 H HG2 . GLN 36 36 ? A -9.031 -7.589 -2.601 1.000 1 A 97.910 1
ATOM 595 H HG3 . GLN 36 36 ? A -7.646 -6.557 -2.984 1.000 1 A 97.910 1
ATOM 596 H HE21 . GLN 36 36 ? A -6.533 -8.674 -2.364 1.000 1 A 97.910 1
ATOM 597 H HE22 . GLN 36 36 ? A -6.420 -9.901 -3.642 1.000 1 A 97.910 1
ATOM 598 N N . GLN 37 37 ? A -11.531 -4.604 -5.582 1.000 1 A 96.560 1
ATOM 599 C CA . GLN 37 37 ? A -12.043 -3.594 -6.512 1.000 1 A 96.560 1
ATOM 600 C C . GLN 37 37 ? A -12.676 -2.392 -5.794 1.000 1 A 96.560 1
ATOM 601 O O . GLN 37 37 ? A -12.556 -1.263 -6.277 1.000 1 A 96.560 1
ATOM 602 C CB . GLN 37 37 ? A -13.073 -4.231 -7.451 1.000 1 A 96.560 1
ATOM 603 C CG . GLN 37 37 ? A -12.445 -5.219 -8.446 1.000 1 A 96.560 1
ATOM 604 C CD . GLN 37 37 ? A -13.500 -5.922 -9.294 1.000 1 A 96.560 1
ATOM 605 O OE1 . GLN 37 37 ? A -14.610 -5.444 -9.485 1.000 1 A 96.560 1
ATOM 606 N NE2 . GLN 37 37 ? A -13.204 -7.088 -9.823 1.000 1 A 96.560 1
ATOM 607 H H . GLN 37 37 ? A -11.901 -5.543 -5.627 1.000 1 A 96.560 1
ATOM 608 H HA . GLN 37 37 ? A -11.215 -3.215 -7.111 1.000 1 A 96.560 1
ATOM 609 H HB2 . GLN 37 37 ? A -13.564 -3.442 -8.019 1.000 1 A 96.560 1
ATOM 610 H HB3 . GLN 37 37 ? A -13.829 -4.747 -6.860 1.000 1 A 96.560 1
ATOM 611 H HG2 . GLN 37 37 ? A -11.763 -4.689 -9.111 1.000 1 A 96.560 1
ATOM 612 H HG3 . GLN 37 37 ? A -11.870 -5.974 -7.910 1.000 1 A 96.560 1
ATOM 613 H HE21 . GLN 37 37 ? A -12.345 -7.564 -9.587 1.000 1 A 96.560 1
ATOM 614 H HE22 . GLN 37 37 ? A -13.914 -7.542 -10.379 1.000 1 A 96.560 1
ATOM 615 N N . GLN 38 38 ? A -13.328 -2.598 -4.643 1.000 1 A 95.620 1
ATOM 616 C CA . GLN 38 38 ? A -13.897 -1.493 -3.865 1.000 1 A 95.620 1
ATOM 617 C C . GLN 38 38 ? A -12.812 -0.686 -3.155 1.000 1 A 95.620 1
ATOM 618 O O . GLN 38 38 ? A -12.742 0.530 -3.348 1.000 1 A 95.620 1
ATOM 619 C CB . GLN 38 38 ? A -14.943 -1.982 -2.856 1.000 1 A 95.620 1
ATOM 620 C CG . GLN 38 38 ? A -16.176 -2.634 -3.491 1.000 1 A 95.620 1
ATOM 621 C CD . GLN 38 38 ? A -16.963 -1.769 -4.475 1.000 1 A 95.620 1
ATOM 622 O OE1 . GLN 38 38 ? A -16.866 -0.549 -4.583 1.000 1 A 95.620 1
ATOM 623 N NE2 . GLN 38 38 ? A -17.793 -2.398 -5.277 1.000 1 A 95.620 1
ATOM 624 H H . GLN 38 38 ? A -13.376 -3.534 -4.269 1.000 1 A 95.620 1
ATOM 625 H HA . GLN 38 38 ? A -14.384 -0.801 -4.553 1.000 1 A 95.620 1
ATOM 626 H HB2 . GLN 38 38 ? A -15.274 -1.131 -2.261 1.000 1 A 95.620 1
ATOM 627 H HB3 . GLN 38 38 ? A -14.477 -2.703 -2.185 1.000 1 A 95.620 1
ATOM 628 H HG2 . GLN 38 38 ? A -16.853 -2.943 -2.694 1.000 1 A 95.620 1
ATOM 629 H HG3 . GLN 38 38 ? A -15.862 -3.536 -4.017 1.000 1 A 95.620 1
ATOM 630 H HE21 . GLN 38 38 ? A -17.852 -3.405 -5.219 1.000 1 A 95.620 1
ATOM 631 H HE22 . GLN 38 38 ? A -18.409 -1.858 -5.867 1.000 1 A 95.620 1
ATOM 632 N N . ILE 39 39 ? A -11.918 -1.343 -2.406 1.000 1 A 96.400 1
ATOM 633 C CA . ILE 39 39 ? A -10.843 -0.630 -1.697 1.000 1 A 96.400 1
ATOM 634 C C . ILE 39 39 ? A -9.847 0.017 -2.669 1.000 1 A 96.400 1
ATOM 635 O O . ILE 39 39 ? A -9.256 1.048 -2.353 1.000 1 A 96.400 1
ATOM 636 C CB . ILE 39 39 ? A -10.130 -1.513 -0.651 1.000 1 A 96.400 1
ATOM 637 C CG1 . ILE 39 39 ? A -9.365 -2.687 -1.295 1.000 1 A 96.400 1
ATOM 638 C CG2 . ILE 39 39 ? A -11.141 -2.016 0.397 1.000 1 A 96.400 1
ATOM 639 C CD1 . ILE 39 39 ? A -8.357 -3.356 -0.358 1.000 1 A 96.400 1
ATOM 640 H H . ILE 39 39 ? A -12.012 -2.341 -2.286 1.000 1 A 96.400 1
ATOM 641 H HA . ILE 39 39 ? A -11.310 0.188 -1.148 1.000 1 A 96.400 1
ATOM 642 H HB . ILE 39 39 ? A -9.408 -0.878 -0.138 1.000 1 A 96.400 1
ATOM 643 H HG12 . ILE 39 39 ? A -8.806 -2.347 -2.166 1.000 1 A 96.400 1
ATOM 644 H HG13 . ILE 39 39 ? A -10.093 -3.432 -1.618 1.000 1 A 96.400 1
ATOM 645 H HG21 . ILE 39 39 ? A -11.816 -2.753 -0.038 1.000 1 A 96.400 1
ATOM 646 H HG22 . ILE 39 39 ? A -11.728 -1.183 0.783 1.000 1 A 96.400 1
ATOM 647 H HG23 . ILE 39 39 ? A -10.620 -2.476 1.237 1.000 1 A 96.400 1
ATOM 648 H HD11 . ILE 39 39 ? A -7.601 -2.634 -0.050 1.000 1 A 96.400 1
ATOM 649 H HD12 . ILE 39 39 ? A -7.868 -4.176 -0.883 1.000 1 A 96.400 1
ATOM 650 H HD13 . ILE 39 39 ? A -8.858 -3.750 0.526 1.000 1 A 96.400 1
ATOM 651 N N . LYS 40 40 ? A -9.705 -0.508 -3.894 1.000 1 A 96.220 1
ATOM 652 C CA . LYS 40 40 ? A -8.887 0.107 -4.945 1.000 1 A 96.220 1
ATOM 653 C C . LYS 40 40 ? A -9.273 1.565 -5.174 1.000 1 A 96.220 1
ATOM 654 O O . LYS 40 40 ? A -8.385 2.392 -5.310 1.000 1 A 96.220 1
ATOM 655 C CB . LYS 40 40 ? A -9.025 -0.688 -6.251 1.000 1 A 96.220 1
ATOM 656 C CG . LYS 40 40 ? A -8.049 -0.200 -7.328 1.000 1 A 96.220 1
ATOM 657 C CD . LYS 40 40 ? A -8.342 -0.845 -8.682 1.000 1 A 96.220 1
ATOM 658 C CE . LYS 40 40 ? A -9.463 -0.115 -9.423 1.000 1 A 96.220 1
ATOM 659 N NZ . LYS 40 40 ? A -9.511 -0.550 -10.833 1.000 1 A 96.220 1
ATOM 660 H H . LYS 40 40 ? A -10.140 -1.400 -4.082 1.000 1 A 96.220 1
ATOM 661 H HA . LYS 40 40 ? A -7.844 0.095 -4.629 1.000 1 A 96.220 1
ATOM 662 H HB2 . LYS 40 40 ? A -8.796 -1.737 -6.064 1.000 1 A 96.220 1
ATOM 663 H HB3 . LYS 40 40 ? A -10.049 -0.609 -6.616 1.000 1 A 96.220 1
ATOM 664 H HG2 . LYS 40 40 ? A -8.092 0.883 -7.442 1.000 1 A 96.220 1
ATOM 665 H HG3 . LYS 40 40 ? A -7.039 -0.472 -7.023 1.000 1 A 96.220 1
ATOM 666 H HD2 . LYS 40 40 ? A -7.436 -0.768 -9.282 1.000 1 A 96.220 1
ATOM 667 H HD3 . LYS 40 40 ? A -8.583 -1.901 -8.561 1.000 1 A 96.220 1
ATOM 668 H HE2 . LYS 40 40 ? A -9.268 0.956 -9.382 1.000 1 A 96.220 1
ATOM 669 H HE3 . LYS 40 40 ? A -10.415 -0.317 -8.932 1.000 1 A 96.220 1
ATOM 670 H HZ1 . LYS 40 40 ? A -9.830 -1.503 -10.935 1.000 1 A 96.220 1
ATOM 671 H HZ2 . LYS 40 40 ? A -8.637 -0.473 -11.333 1.000 1 A 96.220 1
ATOM 672 H HZ3 . LYS 40 40 ? A -10.213 -0.087 -11.393 1.000 1 A 96.220 1
ATOM 673 N N . LYS 41 41 ? A -10.567 1.904 -5.173 1.000 1 A 94.140 1
ATOM 674 C CA . LYS 41 41 ? A -11.038 3.275 -5.438 1.000 1 A 94.140 1
ATOM 675 C C . LYS 41 41 ? A -10.470 4.276 -4.433 1.000 1 A 94.140 1
ATOM 676 O O . LYS 41 41 ? A -9.911 5.294 -4.839 1.000 1 A 94.140 1
ATOM 677 C CB . LYS 41 41 ? A -12.570 3.326 -5.411 1.000 1 A 94.140 1
ATOM 678 C CG . LYS 41 41 ? A -13.217 2.488 -6.522 1.000 1 A 94.140 1
ATOM 679 C CD . LYS 41 41 ? A -14.729 2.449 -6.298 1.000 1 A 94.140 1
ATOM 680 C CE . LYS 41 41 ? A -15.400 1.540 -7.326 1.000 1 A 94.140 1
ATOM 681 N NZ . LYS 41 41 ? A -16.785 1.223 -6.905 1.000 1 A 94.140 1
ATOM 682 H H . LYS 41 41 ? A -11.241 1.183 -4.958 1.000 1 A 94.140 1
ATOM 683 H HA . LYS 41 41 ? A -10.685 3.595 -6.418 1.000 1 A 94.140 1
ATOM 684 H HB2 . LYS 41 41 ? A -12.917 2.973 -4.440 1.000 1 A 94.140 1
ATOM 685 H HB3 . LYS 41 41 ? A -12.890 4.361 -5.526 1.000 1 A 94.140 1
ATOM 686 H HG2 . LYS 41 41 ? A -12.831 1.469 -6.492 1.000 1 A 94.140 1
ATOM 687 H HG3 . LYS 41 41 ? A -12.993 2.929 -7.493 1.000 1 A 94.140 1
ATOM 688 H HD2 . LYS 41 41 ? A -15.141 3.456 -6.365 1.000 1 A 94.140 1
ATOM 689 H HD3 . LYS 41 41 ? A -14.916 2.054 -5.299 1.000 1 A 94.140 1
ATOM 690 H HE2 . LYS 41 41 ? A -15.387 2.028 -8.301 1.000 1 A 94.140 1
ATOM 691 H HE3 . LYS 41 41 ? A -14.822 0.619 -7.398 1.000 1 A 94.140 1
ATOM 692 H HZ1 . LYS 41 41 ? A -17.241 0.631 -7.585 1.000 1 A 94.140 1
ATOM 693 H HZ2 . LYS 41 41 ? A -16.761 0.715 -6.032 1.000 1 A 94.140 1
ATOM 694 H HZ3 . LYS 41 41 ? A -17.324 2.064 -6.755 1.000 1 A 94.140 1
ATOM 695 N N . ILE 42 42 ? A -10.563 3.970 -3.134 1.000 1 A 93.190 1
ATOM 696 C CA . ILE 42 42 ? A -10.007 4.849 -2.098 1.000 1 A 93.190 1
ATOM 697 C C . ILE 42 42 ? A -8.477 4.874 -2.165 1.000 1 A 93.190 1
ATOM 698 O O . ILE 42 42 ? A -7.879 5.935 -2.022 1.000 1 A 93.190 1
ATOM 699 C CB . ILE 42 42 ? A -10.544 4.500 -0.687 1.000 1 A 93.190 1
ATOM 700 C CG1 . ILE 42 42 ? A -10.170 5.543 0.386 1.000 1 A 93.190 1
ATOM 701 C CG2 . ILE 42 42 ? A -10.067 3.134 -0.173 1.000 1 A 93.190 1
ATOM 702 C CD1 . ILE 42 42 ? A -10.675 6.957 0.086 1.000 1 A 93.190 1
ATOM 703 H H . ILE 42 42 ? A -11.001 3.101 -2.865 1.000 1 A 93.190 1
ATOM 704 H HA . ILE 42 42 ? A -10.343 5.858 -2.335 1.000 1 A 93.190 1
ATOM 705 H HB . ILE 42 42 ? A -11.632 4.471 -0.743 1.000 1 A 93.190 1
ATOM 706 H HG12 . ILE 42 42 ? A -9.088 5.568 0.516 1.000 1 A 93.190 1
ATOM 707 H HG13 . ILE 42 42 ? A -10.611 5.240 1.336 1.000 1 A 93.190 1
ATOM 708 H HG21 . ILE 42 42 ? A -10.514 2.347 -0.780 1.000 1 A 93.190 1
ATOM 709 H HG22 . ILE 42 42 ? A -10.387 2.988 0.859 1.000 1 A 93.190 1
ATOM 710 H HG23 . ILE 42 42 ? A -8.980 3.054 -0.186 1.000 1 A 93.190 1
ATOM 711 H HD11 . ILE 42 42 ? A -10.508 7.590 0.957 1.000 1 A 93.190 1
ATOM 712 H HD12 . ILE 42 42 ? A -10.137 7.383 -0.761 1.000 1 A 93.190 1
ATOM 713 H HD13 . ILE 42 42 ? A -11.743 6.933 -0.131 1.000 1 A 93.190 1
ATOM 714 N N . LEU 43 43 ? A -7.828 3.741 -2.446 1.000 1 A 95.770 1
ATOM 715 C CA . LEU 43 43 ? A -6.368 3.666 -2.535 1.000 1 A 95.770 1
ATOM 716 C C . LEU 43 43 ? A -5.817 4.442 -3.741 1.000 1 A 95.770 1
ATOM 717 O O . LEU 43 43 ? A -4.817 5.143 -3.601 1.000 1 A 95.770 1
ATOM 718 C CB . LEU 43 43 ? A -5.936 2.193 -2.562 1.000 1 A 95.770 1
ATOM 719 C CG . LEU 43 43 ? A -6.216 1.412 -1.265 1.000 1 A 95.770 1
ATOM 720 C CD1 . LEU 43 43 ? A -5.933 -0.070 -1.498 1.000 1 A 95.770 1
ATOM 721 C CD2 . LEU 43 43 ? A -5.348 1.890 -0.101 1.000 1 A 95.770 1
ATOM 722 H H . LEU 43 43 ? A -8.362 2.891 -2.556 1.000 1 A 95.770 1
ATOM 723 H HA . LEU 43 43 ? A -5.940 4.137 -1.650 1.000 1 A 95.770 1
ATOM 724 H HB2 . LEU 43 43 ? A -6.443 1.701 -3.392 1.000 1 A 95.770 1
ATOM 725 H HB3 . LEU 43 43 ? A -4.863 2.157 -2.753 1.000 1 A 95.770 1
ATOM 726 H HG . LEU 43 43 ? A -7.258 1.524 -0.969 1.000 1 A 95.770 1
ATOM 727 H HD11 . LEU 43 43 ? A -6.591 -0.450 -2.280 1.000 1 A 95.770 1
ATOM 728 H HD12 . LEU 43 43 ? A -4.896 -0.207 -1.803 1.000 1 A 95.770 1
ATOM 729 H HD13 . LEU 43 43 ? A -6.122 -0.635 -0.585 1.000 1 A 95.770 1
ATOM 730 H HD21 . LEU 43 43 ? A -5.585 2.925 0.144 1.000 1 A 95.770 1
ATOM 731 H HD22 . LEU 43 43 ? A -5.553 1.274 0.775 1.000 1 A 95.770 1
ATOM 732 H HD23 . LEU 43 43 ? A -4.294 1.803 -0.365 1.000 1 A 95.770 1
ATOM 733 N N . THR 44 44 ? A -6.495 4.399 -4.891 1.000 1 A 93.950 1
ATOM 734 C CA . THR 44 44 ? A -6.186 5.236 -6.059 1.000 1 A 93.950 1
ATOM 735 C C . THR 44 44 ? A -6.331 6.714 -5.717 1.000 1 A 93.950 1
ATOM 736 O O . THR 44 44 ? A -5.439 7.501 -6.019 1.000 1 A 93.950 1
ATOM 737 C CB . THR 44 44 ? A -7.093 4.877 -7.249 1.000 1 A 93.950 1
ATOM 738 O OG1 . THR 44 44 ? A -6.861 3.541 -7.641 1.000 1 A 93.950 1
ATOM 739 C CG2 . THR 44 44 ? A -6.823 5.733 -8.486 1.000 1 A 93.950 1
ATOM 740 H H . THR 44 44 ? A -7.272 3.758 -4.967 1.000 1 A 93.950 1
ATOM 741 H HA . THR 44 44 ? A -5.148 5.073 -6.349 1.000 1 A 93.950 1
ATOM 742 H HB . THR 44 44 ? A -8.139 4.987 -6.961 1.000 1 A 93.950 1
ATOM 743 H HG1 . THR 44 44 ? A -5.915 3.459 -7.784 1.000 1 A 93.950 1
ATOM 744 H HG21 . THR 44 44 ? A -7.120 6.766 -8.305 1.000 1 A 93.950 1
ATOM 745 H HG22 . THR 44 44 ? A -5.764 5.711 -8.742 1.000 1 A 93.950 1
ATOM 746 H HG23 . THR 44 44 ? A -7.407 5.359 -9.327 1.000 1 A 93.950 1
ATOM 747 N N . TYR 45 45 ? A -7.393 7.094 -5.005 1.000 1 A 91.250 1
ATOM 748 C CA . TYR 45 45 ? A -7.569 8.475 -4.563 1.000 1 A 91.250 1
ATOM 749 C C . TYR 45 45 ? A -6.460 8.935 -3.598 1.000 1 A 91.250 1
ATOM 750 O O . TYR 45 45 ? A -5.917 10.032 -3.743 1.000 1 A 91.250 1
ATOM 751 C CB . TYR 45 45 ? A -8.961 8.610 -3.943 1.000 1 A 91.250 1
ATOM 752 C CG . TYR 45 45 ? A -9.269 10.025 -3.521 1.000 1 A 91.250 1
ATOM 753 C CD1 . TYR 45 45 ? A -9.413 10.340 -2.160 1.000 1 A 91.250 1
ATOM 754 C CD2 . TYR 45 45 ? A -9.383 11.028 -4.501 1.000 1 A 91.250 1
ATOM 755 C CE1 . TYR 45 45 ? A -9.675 11.667 -1.772 1.000 1 A 91.250 1
ATOM 756 C CE2 . TYR 45 45 ? A -9.648 12.353 -4.120 1.000 1 A 91.250 1
ATOM 757 C CZ . TYR 45 45 ? A -9.789 12.668 -2.755 1.000 1 A 91.250 1
ATOM 758 O OH . TYR 45 45 ? A -10.050 13.944 -2.393 1.000 1 A 91.250 1
ATOM 759 H H . TYR 45 45 ? A -8.115 6.420 -4.792 1.000 1 A 91.250 1
ATOM 760 H HA . TYR 45 45 ? A -7.518 9.121 -5.439 1.000 1 A 91.250 1
ATOM 761 H HB2 . TYR 45 45 ? A -9.706 8.300 -4.675 1.000 1 A 91.250 1
ATOM 762 H HB3 . TYR 45 45 ? A -9.046 7.948 -3.081 1.000 1 A 91.250 1
ATOM 763 H HD1 . TYR 45 45 ? A -9.326 9.556 -1.422 1.000 1 A 91.250 1
ATOM 764 H HD2 . TYR 45 45 ? A -9.258 10.779 -5.545 1.000 1 A 91.250 1
ATOM 765 H HE1 . TYR 45 45 ? A -9.810 11.924 -0.732 1.000 1 A 91.250 1
ATOM 766 H HE2 . TYR 45 45 ? A -9.737 13.118 -4.876 1.000 1 A 91.250 1
ATOM 767 H HH . TYR 45 45 ? A -10.188 14.505 -3.160 1.000 1 A 91.250 1
ATOM 768 N N . TYR 46 46 ? A -6.053 8.079 -2.653 1.000 1 A 91.200 1
ATOM 769 C CA . TYR 46 46 ? A -4.891 8.333 -1.796 1.000 1 A 91.200 1
ATOM 770 C C . TYR 46 46 ? A -3.606 8.519 -2.611 1.000 1 A 91.200 1
ATOM 771 O O . TYR 46 46 ? A -2.828 9.427 -2.313 1.000 1 A 91.200 1
ATOM 772 C CB . TYR 46 46 ? A -4.701 7.192 -0.785 1.000 1 A 91.200 1
ATOM 773 C CG . TYR 46 46 ? A -5.297 7.451 0.581 1.000 1 A 91.200 1
ATOM 774 C CD1 . TYR 46 46 ? A -4.460 7.819 1.652 1.000 1 A 91.200 1
ATOM 775 C CD2 . TYR 46 46 ? A -6.679 7.306 0.790 1.000 1 A 91.200 1
ATOM 776 C CE1 . TYR 46 46 ? A -5.007 8.052 2.927 1.000 1 A 91.200 1
ATOM 777 C CE2 . TYR 46 46 ? A -7.227 7.507 2.068 1.000 1 A 91.200 1
ATOM 778 C CZ . TYR 46 46 ? A -6.396 7.905 3.131 1.000 1 A 91.200 1
ATOM 779 O OH . TYR 46 46 ? A -6.925 8.152 4.354 1.000 1 A 91.200 1
ATOM 780 H H . TYR 46 46 ? A -6.540 7.198 -2.568 1.000 1 A 91.200 1
ATOM 781 H HA . TYR 46 46 ? A -5.059 9.261 -1.248 1.000 1 A 91.200 1
ATOM 782 H HB2 . TYR 46 46 ? A -3.633 7.026 -0.645 1.000 1 A 91.200 1
ATOM 783 H HB3 . TYR 46 46 ? A -5.114 6.266 -1.185 1.000 1 A 91.200 1
ATOM 784 H HD1 . TYR 46 46 ? A -3.398 7.930 1.489 1.000 1 A 91.200 1
ATOM 785 H HD2 . TYR 46 46 ? A -7.327 7.042 -0.033 1.000 1 A 91.200 1
ATOM 786 H HE1 . TYR 46 46 ? A -4.364 8.337 3.746 1.000 1 A 91.200 1
ATOM 787 H HE2 . TYR 46 46 ? A -8.285 7.370 2.239 1.000 1 A 91.200 1
ATOM 788 H HH . TYR 46 46 ? A -6.231 8.329 4.993 1.000 1 A 91.200 1
ATOM 789 N N . ASP 47 47 ? A -3.378 7.687 -3.630 1.000 1 A 91.280 1
ATOM 790 C CA . ASP 47 47 ? A -2.202 7.788 -4.495 1.000 1 A 91.280 1
ATOM 791 C C . ASP 47 47 ? A -2.164 9.106 -5.279 1.000 1 A 91.280 1
ATOM 792 O O . ASP 47 47 ? A -1.154 9.815 -5.257 1.000 1 A 91.280 1
ATOM 793 C CB . ASP 47 47 ? A -2.121 6.583 -5.443 1.000 1 A 91.280 1
ATOM 794 C CG . ASP 47 47 ? A -0.826 6.676 -6.249 1.000 1 A 91.280 1
ATOM 795 O OD1 . ASP 47 47 ? A 0.246 6.774 -5.602 1.000 1 A 91.280 1
ATOM 796 O OD2 . ASP 47 47 ? A -0.878 6.761 -7.491 1.000 1 A 91.280 1
ATOM 797 H H . ASP 47 47 ? A -4.044 6.952 -3.820 1.000 1 A 91.280 1
ATOM 798 H HA . ASP 47 47 ? A -1.313 7.779 -3.865 1.000 1 A 91.280 1
ATOM 799 H HB2 . ASP 47 47 ? A -2.978 6.572 -6.115 1.000 1 A 91.280 1
ATOM 800 H HB3 . ASP 47 47 ? A -2.118 5.660 -4.863 1.000 1 A 91.280 1
ATOM 801 N N . GLU 48 48 ? A -3.277 9.494 -5.900 1.000 1 A 90.120 1
ATOM 802 C CA . GLU 48 48 ? A -3.400 10.766 -6.615 1.000 1 A 90.120 1
ATOM 803 C C . GLU 48 48 ? A -3.142 11.967 -5.700 1.000 1 A 90.120 1
ATOM 804 O O . GLU 48 48 ? A -2.417 12.900 -6.061 1.000 1 A 90.120 1
ATOM 805 C CB . GLU 48 48 ? A -4.811 10.905 -7.190 1.000 1 A 90.120 1
ATOM 806 C CG . GLU 48 48 ? A -5.087 9.982 -8.382 1.000 1 A 90.120 1
ATOM 807 C CD . GLU 48 48 ? A -6.527 10.140 -8.895 1.000 1 A 90.120 1
ATOM 808 O OE1 . GLU 48 48 ? A -6.917 9.333 -9.765 1.000 1 A 90.120 1
ATOM 809 O OE2 . GLU 48 48 ? A -7.211 11.100 -8.457 1.000 1 A 90.120 1
ATOM 810 H H . GLU 48 48 ? A -4.064 8.861 -5.907 1.000 1 A 90.120 1
ATOM 811 H HA . GLU 48 48 ? A -2.678 10.799 -7.430 1.000 1 A 90.120 1
ATOM 812 H HB2 . GLU 48 48 ? A -4.935 11.936 -7.523 1.000 1 A 90.120 1
ATOM 813 H HB3 . GLU 48 48 ? A -5.539 10.710 -6.402 1.000 1 A 90.120 1
ATOM 814 H HG2 . GLU 48 48 ? A -4.910 8.945 -8.095 1.000 1 A 90.120 1
ATOM 815 H HG3 . GLU 48 48 ? A -4.390 10.235 -9.180 1.000 1 A 90.120 1
ATOM 816 N N . CYS 49 49 ? A -3.716 11.956 -4.496 1.000 1 A 85.470 1
ATOM 817 C CA . CYS 49 49 ? A -3.513 13.019 -3.522 1.000 1 A 85.470 1
ATOM 818 C C . CYS 49 49 ? A -2.070 13.055 -2.992 1.000 1 A 85.470 1
ATOM 819 O O . CYS 49 49 ? A -1.547 14.149 -2.774 1.000 1 A 85.470 1
ATOM 820 C CB . CYS 49 49 ? A -4.536 12.853 -2.397 1.000 1 A 85.470 1
ATOM 821 S SG . CYS 49 49 ? A -6.188 13.381 -2.918 1.000 1 A 85.470 1
ATOM 822 H H . CYS 49 49 ? A -4.339 11.194 -4.267 1.000 1 A 85.470 1
ATOM 823 H HA . CYS 49 49 ? A -3.688 13.978 -4.009 1.000 1 A 85.470 1
ATOM 824 H HB2 . CYS 49 49 ? A -4.234 13.464 -1.547 1.000 1 A 85.470 1
ATOM 825 H HB3 . CYS 49 49 ? A -4.578 11.803 -2.107 1.000 1 A 85.470 1
ATOM 826 H HG . CYS 49 49 ? A -6.130 14.639 -2.472 1.000 1 A 85.470 1
ATOM 827 N N . LEU 50 50 ? A -1.408 11.905 -2.821 1.000 1 A 81.130 1
ATOM 828 C CA . LEU 50 50 ? A 0.011 11.834 -2.457 1.000 1 A 81.130 1
ATOM 829 C C . LEU 50 50 ? A 0.898 12.411 -3.567 1.000 1 A 81.130 1
ATOM 830 O O . LEU 50 50 ? A 1.744 13.255 -3.277 1.000 1 A 81.130 1
ATOM 831 C CB . LEU 50 50 ? A 0.401 10.376 -2.133 1.000 1 A 81.130 1
ATOM 832 C CG . LEU 50 50 ? A 0.066 9.962 -0.690 1.000 1 A 81.130 1
ATOM 833 C CD1 . LEU 50 50 ? A 0.076 8.441 -0.542 1.000 1 A 81.130 1
ATOM 834 C CD2 . LEU 50 50 ? A 1.100 10.512 0.299 1.000 1 A 81.130 1
ATOM 835 H H . LEU 50 50 ? A -1.898 11.039 -2.997 1.000 1 A 81.130 1
ATOM 836 H HA . LEU 50 50 ? A 0.176 12.455 -1.577 1.000 1 A 81.130 1
ATOM 837 H HB2 . LEU 50 50 ? A 1.473 10.247 -2.286 1.000 1 A 81.130 1
ATOM 838 H HB3 . LEU 50 50 ? A -0.108 9.710 -2.829 1.000 1 A 81.130 1
ATOM 839 H HG . LEU 50 50 ? A -0.922 10.335 -0.424 1.000 1 A 81.130 1
ATOM 840 H HD11 . LEU 50 50 ? A -0.113 8.165 0.495 1.000 1 A 81.130 1
ATOM 841 H HD12 . LEU 50 50 ? A -0.723 8.029 -1.160 1.000 1 A 81.130 1
ATOM 842 H HD13 . LEU 50 50 ? A 1.033 8.031 -0.864 1.000 1 A 81.130 1
ATOM 843 H HD21 . LEU 50 50 ? A 0.763 10.332 1.319 1.000 1 A 81.130 1
ATOM 844 H HD22 . LEU 50 50 ? A 2.058 10.015 0.149 1.000 1 A 81.130 1
ATOM 845 H HD23 . LEU 50 50 ? A 1.247 11.581 0.144 1.000 1 A 81.130 1
ATOM 846 N N . ASN 51 51 ? A 0.661 12.033 -4.828 1.000 1 A 80.880 1
ATOM 847 C CA . ASN 51 51 ? A 1.419 12.520 -5.989 1.000 1 A 80.880 1
ATOM 848 C C . ASN 51 51 ? A 1.336 14.042 -6.165 1.000 1 A 80.880 1
ATOM 849 O O . ASN 51 51 ? A 2.308 14.672 -6.571 1.000 1 A 80.880 1
ATOM 850 C CB . ASN 51 51 ? A 0.895 11.818 -7.258 1.000 1 A 80.880 1
ATOM 851 C CG . ASN 51 51 ? A 1.366 10.384 -7.381 1.000 1 A 80.880 1
ATOM 852 O OD1 . ASN 51 51 ? A 2.476 10.051 -6.992 1.000 1 A 80.880 1
ATOM 853 N ND2 . ASN 51 51 ? A 0.549 9.510 -7.925 1.000 1 A 80.880 1
ATOM 854 H H . ASN 51 51 ? A -0.053 11.336 -4.984 1.000 1 A 80.880 1
ATOM 855 H HA . ASN 51 51 ? A 2.475 12.286 -5.852 1.000 1 A 80.880 1
ATOM 856 H HB2 . ASN 51 51 ? A 1.262 12.346 -8.138 1.000 1 A 80.880 1
ATOM 857 H HB3 . ASN 51 51 ? A -0.194 11.850 -7.273 1.000 1 A 80.880 1
ATOM 858 H HD21 . ASN 51 51 ? A 0.723 8.516 -7.879 1.000 1 A 80.880 1
ATOM 859 H HD22 . ASN 51 51 ? A -0.399 9.775 -8.151 1.000 1 A 80.880 1
ATOM 860 N N . LYS 52 52 ? A 0.190 14.650 -5.833 1.000 1 A 76.700 1
ATOM 861 C CA . LYS 52 52 ? A 0.017 16.113 -5.879 1.000 1 A 76.700 1
ATOM 862 C C . LYS 52 52 ? A 0.826 16.853 -4.814 1.000 1 A 76.700 1
ATOM 863 O O . LYS 52 52 ? A 1.085 18.040 -4.979 1.000 1 A 76.700 1
ATOM 864 C CB . LYS 52 52 ? A -1.471 16.461 -5.736 1.000 1 A 76.700 1
ATOM 865 C CG . LYS 52 52 ? A -2.256 16.143 -7.014 1.000 1 A 76.700 1
ATOM 866 C CD . LYS 52 52 ? A -3.764 16.307 -6.788 1.000 1 A 76.700 1
ATOM 867 C CE . LYS 52 52 ? A -4.509 15.892 -8.062 1.000 1 A 76.700 1
ATOM 868 N NZ . LYS 52 52 ? A -5.974 15.771 -7.849 1.000 1 A 76.700 1
ATOM 869 H H . LYS 52 52 ? A -0.591 14.066 -5.572 1.000 1 A 76.700 1
ATOM 870 H HA . LYS 52 52 ? A 0.385 16.485 -6.835 1.000 1 A 76.700 1
ATOM 871 H HB2 . LYS 52 52 ? A -1.574 17.527 -5.531 1.000 1 A 76.700 1
ATOM 872 H HB3 . LYS 52 52 ? A -1.888 15.908 -4.894 1.000 1 A 76.700 1
ATOM 873 H HG2 . LYS 52 52 ? A -1.932 16.815 -7.810 1.000 1 A 76.700 1
ATOM 874 H HG3 . LYS 52 52 ? A -2.052 15.119 -7.327 1.000 1 A 76.700 1
ATOM 875 H HD2 . LYS 52 52 ? A -3.992 17.343 -6.538 1.000 1 A 76.700 1
ATOM 876 H HD3 . LYS 52 52 ? A -4.065 15.656 -5.967 1.000 1 A 76.700 1
ATOM 877 H HE2 . LYS 52 52 ? A -4.292 16.612 -8.852 1.000 1 A 76.700 1
ATOM 878 H HE3 . LYS 52 52 ? A -4.116 14.927 -8.381 1.000 1 A 76.700 1
ATOM 879 H HZ1 . LYS 52 52 ? A -6.163 15.062 -7.155 1.000 1 A 76.700 1
ATOM 880 H HZ2 . LYS 52 52 ? A -6.421 15.447 -8.695 1.000 1 A 76.700 1
ATOM 881 H HZ3 . LYS 52 52 ? A -6.388 16.647 -7.565 1.000 1 A 76.700 1
ATOM 882 N N . GLN 53 53 ? A 1.171 16.192 -3.710 1.000 1 A 71.780 1
ATOM 883 C CA . GLN 53 53 ? A 1.817 16.836 -2.566 1.000 1 A 71.780 1
ATOM 884 C C . GLN 53 53 ? A 3.315 16.540 -2.474 1.000 1 A 71.780 1
ATOM 885 O O . GLN 53 53 ? A 4.068 17.384 -1.993 1.000 1 A 71.780 1
ATOM 886 C CB . GLN 53 53 ? A 1.111 16.413 -1.276 1.000 1 A 71.780 1
ATOM 887 C CG . GLN 53 53 ? A -0.330 16.929 -1.174 1.000 1 A 71.780 1
ATOM 888 C CD . GLN 53 53 ? A -0.982 16.636 0.176 1.000 1 A 71.780 1
ATOM 889 O OE1 . GLN 53 53 ? A -0.364 16.517 1.216 1.000 1 A 71.780 1
ATOM 890 N NE2 . GLN 53 53 ? A -2.291 16.560 0.242 1.000 1 A 71.780 1
ATOM 891 H H . GLN 53 53 ? A 0.957 15.207 -3.655 1.000 1 A 71.780 1
ATOM 892 H HA . GLN 53 53 ? A 1.729 17.919 -2.651 1.000 1 A 71.780 1
ATOM 893 H HB2 . GLN 53 53 ? A 1.107 15.325 -1.210 1.000 1 A 71.780 1
ATOM 894 H HB3 . GLN 53 53 ? A 1.677 16.829 -0.443 1.000 1 A 71.780 1
ATOM 895 H HG2 . GLN 53 53 ? A -0.932 16.484 -1.967 1.000 1 A 71.780 1
ATOM 896 H HG3 . GLN 53 53 ? A -0.333 18.010 -1.321 1.000 1 A 71.780 1
ATOM 897 H HE21 . GLN 53 53 ? A -2.824 16.556 -0.616 1.000 1 A 71.780 1
ATOM 898 H HE22 . GLN 53 53 ? A -2.661 16.254 1.130 1.000 1 A 71.780 1
ATOM 899 N N . VAL 54 54 ? A 3.759 15.361 -2.914 1.000 1 A 69.980 1
ATOM 900 C CA . VAL 54 54 ? A 5.169 14.974 -2.865 1.000 1 A 69.980 1
ATOM 901 C C . VAL 54 54 ? A 5.524 14.064 -4.036 1.000 1 A 69.980 1
ATOM 902 O O . VAL 54 54 ? A 4.766 13.173 -4.415 1.000 1 A 69.980 1
ATOM 903 C CB . VAL 54 54 ? A 5.502 14.318 -1.507 1.000 1 A 69.980 1
ATOM 904 C CG1 . VAL 54 54 ? A 5.066 12.850 -1.428 1.000 1 A 69.980 1
ATOM 905 C CG2 . VAL 54 54 ? A 6.999 14.383 -1.190 1.000 1 A 69.980 1
ATOM 906 H H . VAL 54 54 ? A 3.102 14.689 -3.283 1.000 1 A 69.980 1
ATOM 907 H HA . VAL 54 54 ? A 5.767 15.880 -2.955 1.000 1 A 69.980 1
ATOM 908 H HB . VAL 54 54 ? A 4.987 14.876 -0.725 1.000 1 A 69.980 1
ATOM 909 H HG11 . VAL 54 54 ? A 5.594 12.269 -2.184 1.000 1 A 69.980 1
ATOM 910 H HG12 . VAL 54 54 ? A 5.331 12.421 -0.462 1.000 1 A 69.980 1
ATOM 911 H HG13 . VAL 54 54 ? A 3.993 12.769 -1.603 1.000 1 A 69.980 1
ATOM 912 H HG21 . VAL 54 54 ? A 7.336 15.419 -1.219 1.000 1 A 69.980 1
ATOM 913 H HG22 . VAL 54 54 ? A 7.179 13.991 -0.189 1.000 1 A 69.980 1
ATOM 914 H HG23 . VAL 54 54 ? A 7.574 13.794 -1.905 1.000 1 A 69.980 1
ATOM 915 N N . THR 55 55 ? A 6.735 14.228 -4.562 1.000 1 A 73.130 1
ATOM 916 C CA . THR 55 55 ? A 7.374 13.175 -5.354 1.000 1 A 73.130 1
ATOM 917 C C . THR 55 55 ? A 8.159 12.283 -4.403 1.000 1 A 73.130 1
ATOM 918 O O . THR 55 55 ? A 9.158 12.711 -3.828 1.000 1 A 73.130 1
ATOM 919 C CB . THR 55 55 ? A 8.273 13.768 -6.440 1.000 1 A 73.130 1
ATOM 920 O OG1 . THR 55 55 ? A 7.491 14.595 -7.268 1.000 1 A 73.130 1
ATOM 921 C CG2 . THR 55 55 ? A 8.883 12.690 -7.333 1.000 1 A 73.130 1
ATOM 922 H H . THR 55 55 ? A 7.324 14.964 -4.198 1.000 1 A 73.130 1
ATOM 923 H HA . THR 55 55 ? A 6.618 12.573 -5.857 1.000 1 A 73.130 1
ATOM 924 H HB . THR 55 55 ? A 9.066 14.361 -5.984 1.000 1 A 73.130 1
ATOM 925 H HG1 . THR 55 55 ? A 6.735 14.900 -6.761 1.000 1 A 73.130 1
ATOM 926 H HG21 . THR 55 55 ? A 9.468 13.165 -8.121 1.000 1 A 73.130 1
ATOM 927 H HG22 . THR 55 55 ? A 9.539 12.041 -6.753 1.000 1 A 73.130 1
ATOM 928 H HG23 . THR 55 55 ? A 8.093 12.093 -7.790 1.000 1 A 73.130 1
ATOM 929 N N . ILE 56 56 ? A 7.694 11.049 -4.204 1.000 1 A 72.300 1
ATOM 930 C CA . ILE 56 56 ? A 8.418 10.065 -3.396 1.000 1 A 72.300 1
ATOM 931 C C . ILE 56 56 ? A 9.547 9.501 -4.252 1.000 1 A 72.300 1
ATOM 932 O O . ILE 56 56 ? A 9.301 8.732 -5.179 1.000 1 A 72.300 1
ATOM 933 C CB . ILE 56 56 ? A 7.489 8.956 -2.856 1.000 1 A 72.300 1
ATOM 934 C CG1 . ILE 56 56 ? A 6.321 9.570 -2.054 1.000 1 A 72.300 1
ATOM 935 C CG2 . ILE 56 56 ? A 8.297 7.990 -1.977 1.000 1 A 72.300 1
ATOM 936 C CD1 . ILE 56 56 ? A 5.399 8.564 -1.359 1.000 1 A 72.300 1
ATOM 937 H H . ILE 56 56 ? A 6.864 10.757 -4.700 1.000 1 A 72.300 1
ATOM 938 H HA . ILE 56 56 ? A 8.860 10.571 -2.537 1.000 1 A 72.300 1
ATOM 939 H HB . ILE 56 56 ? A 7.075 8.396 -3.695 1.000 1 A 72.300 1
ATOM 940 H HG12 . ILE 56 56 ? A 5.698 10.135 -2.747 1.000 1 A 72.300 1
ATOM 941 H HG13 . ILE 56 56 ? A 6.717 10.253 -1.302 1.000 1 A 72.300 1
ATOM 942 H HG21 . ILE 56 56 ? A 8.661 8.516 -1.095 1.000 1 A 72.300 1
ATOM 943 H HG22 . ILE 56 56 ? A 9.145 7.580 -2.525 1.000 1 A 72.300 1
ATOM 944 H HG23 . ILE 56 56 ? A 7.667 7.158 -1.663 1.000 1 A 72.300 1
ATOM 945 H HD11 . ILE 56 56 ? A 4.508 9.080 -0.999 1.000 1 A 72.300 1
ATOM 946 H HD12 . ILE 56 56 ? A 5.905 8.113 -0.506 1.000 1 A 72.300 1
ATOM 947 H HD13 . ILE 56 56 ? A 5.103 7.786 -2.063 1.000 1 A 72.300 1
ATOM 948 N N . THR 57 57 ? A 10.779 9.884 -3.941 1.000 1 A 74.450 1
ATOM 949 C CA . THR 57 57 ? A 11.970 9.281 -4.532 1.000 1 A 74.450 1
ATOM 950 C C . THR 57 57 ? A 12.545 8.246 -3.582 1.000 1 A 74.450 1
ATOM 951 O O . THR 57 57 ? A 12.570 8.416 -2.361 1.000 1 A 74.450 1
ATOM 952 C CB . THR 57 57 ? A 13.019 10.325 -4.931 1.000 1 A 74.450 1
ATOM 953 O OG1 . THR 57 57 ? A 13.389 11.107 -3.823 1.000 1 A 74.450 1
ATOM 954 C CG2 . THR 57 57 ? A 12.483 11.277 -5.999 1.000 1 A 74.450 1
ATOM 955 H H . THR 57 57 ? A 10.923 10.569 -3.213 1.000 1 A 74.450 1
ATOM 956 H HA . THR 57 57 ? A 11.687 8.761 -5.448 1.000 1 A 74.450 1
ATOM 957 H HB . THR 57 57 ? A 13.899 9.814 -5.322 1.000 1 A 74.450 1
ATOM 958 H HG1 . THR 57 57 ? A 13.959 11.813 -4.135 1.000 1 A 74.450 1
ATOM 959 H HG21 . THR 57 57 ? A 11.692 11.901 -5.583 1.000 1 A 74.450 1
ATOM 960 H HG22 . THR 57 57 ? A 13.290 11.916 -6.357 1.000 1 A 74.450 1
ATOM 961 H HG23 . THR 57 57 ? A 12.088 10.706 -6.839 1.000 1 A 74.450 1
ATOM 962 N N . PHE 58 58 ? A 13.005 7.149 -4.162 1.000 1 A 78.630 1
ATOM 963 C CA . PHE 58 58 ? A 13.711 6.103 -3.452 1.000 1 A 78.630 1
ATOM 964 C C . PHE 58 58 ? A 15.125 5.999 -4.020 1.000 1 A 78.630 1
ATOM 965 O O . PHE 58 58 ? A 15.362 6.313 -5.185 1.000 1 A 78.630 1
ATOM 966 C CB . PHE 58 58 ? A 12.916 4.803 -3.573 1.000 1 A 78.630 1
ATOM 967 C CG . PHE 58 58 ? A 11.524 4.836 -2.976 1.000 1 A 78.630 1
ATOM 968 C CD1 . PHE 58 58 ? A 11.356 4.869 -1.580 1.000 1 A 78.630 1
ATOM 969 C CD2 . PHE 58 58 ? A 10.393 4.824 -3.813 1.000 1 A 78.630 1
ATOM 970 C CE1 . PHE 58 58 ? A 10.064 4.867 -1.028 1.000 1 A 78.630 1
ATOM 971 C CE2 . PHE 58 58 ? A 9.102 4.799 -3.261 1.000 1 A 78.630 1
ATOM 972 C CZ . PHE 58 58 ? A 8.937 4.798 -1.866 1.000 1 A 78.630 1
ATOM 973 H H . PHE 58 58 ? A 12.968 7.069 -5.168 1.000 1 A 78.630 1
ATOM 974 H HA . PHE 58 58 ? A 13.792 6.354 -2.394 1.000 1 A 78.630 1
ATOM 975 H HB2 . PHE 58 58 ? A 12.848 4.533 -4.627 1.000 1 A 78.630 1
ATOM 976 H HB3 . PHE 58 58 ? A 13.473 4.016 -3.066 1.000 1 A 78.630 1
ATOM 977 H HD1 . PHE 58 58 ? A 12.221 4.900 -0.934 1.000 1 A 78.630 1
ATOM 978 H HD2 . PHE 58 58 ? A 10.517 4.829 -4.886 1.000 1 A 78.630 1
ATOM 979 H HE1 . PHE 58 58 ? A 9.945 4.900 0.045 1.000 1 A 78.630 1
ATOM 980 H HE2 . PHE 58 58 ? A 8.241 4.773 -3.913 1.000 1 A 78.630 1
ATOM 981 H HZ . PHE 58 58 ? A 7.945 4.761 -1.440 1.000 1 A 78.630 1
ATOM 982 N N . SER 59 59 ? A 16.061 5.559 -3.187 1.000 1 A 78.320 1
ATOM 983 C CA . SER 59 59 ? A 17.347 5.022 -3.625 1.000 1 A 78.320 1
ATOM 984 C C . SER 59 59 ? A 17.465 3.656 -2.972 1.000 1 A 78.320 1
ATOM 985 O O . SER 59 59 ? A 17.705 3.565 -1.766 1.000 1 A 78.320 1
ATOM 986 C CB . SER 59 59 ? A 18.501 5.947 -3.237 1.000 1 A 78.320 1
ATOM 987 O OG . SER 59 59 ? A 19.695 5.423 -3.778 1.000 1 A 78.320 1
ATOM 988 H H . SER 59 59 ? A 15.791 5.371 -2.232 1.000 1 A 78.320 1
ATOM 989 H HA . SER 59 59 ? A 17.361 4.901 -4.709 1.000 1 A 78.320 1
ATOM 990 H HB2 . SER 59 59 ? A 18.326 6.942 -3.646 1.000 1 A 78.320 1
ATOM 991 H HB3 . SER 59 59 ? A 18.578 6.011 -2.151 1.000 1 A 78.320 1
ATOM 992 H HG . SER 59 59 ? A 20.429 5.613 -3.188 1.000 1 A 78.320 1
ATOM 993 N N . LEU 60 60 ? A 17.123 2.613 -3.727 1.000 1 A 82.260 1
ATOM 994 C CA . LEU 60 60 ? A 17.021 1.239 -3.236 1.000 1 A 82.260 1
ATOM 995 C C . LEU 60 60 ? A 17.807 0.332 -4.177 1.000 1 A 82.260 1
ATOM 996 O O . LEU 60 60 ? A 17.371 0.043 -5.290 1.000 1 A 82.260 1
ATOM 997 C CB . LEU 60 60 ? A 15.545 0.802 -3.131 1.000 1 A 82.260 1
ATOM 998 C CG . LEU 60 60 ? A 14.696 1.637 -2.160 1.000 1 A 82.260 1
ATOM 999 C CD1 . LEU 60 60 ? A 13.211 1.343 -2.366 1.000 1 A 82.260 1
ATOM 1000 C CD2 . LEU 60 60 ? A 15.052 1.385 -0.701 1.000 1 A 82.260 1
ATOM 1001 H H . LEU 60 60 ? A 16.936 2.774 -4.707 1.000 1 A 82.260 1
ATOM 1002 H HA . LEU 60 60 ? A 17.478 1.164 -2.249 1.000 1 A 82.260 1
ATOM 1003 H HB2 . LEU 60 60 ? A 15.508 -0.244 -2.824 1.000 1 A 82.260 1
ATOM 1004 H HB3 . LEU 60 60 ? A 15.096 0.862 -4.123 1.000 1 A 82.260 1
ATOM 1005 H HG . LEU 60 60 ? A 14.875 2.694 -2.353 1.000 1 A 82.260 1
ATOM 1006 H HD11 . LEU 60 60 ? A 12.623 1.937 -1.667 1.000 1 A 82.260 1
ATOM 1007 H HD12 . LEU 60 60 ? A 12.998 0.284 -2.219 1.000 1 A 82.260 1
ATOM 1008 H HD13 . LEU 60 60 ? A 12.918 1.615 -3.380 1.000 1 A 82.260 1
ATOM 1009 H HD21 . LEU 60 60 ? A 16.078 1.708 -0.522 1.000 1 A 82.260 1
ATOM 1010 H HD22 . LEU 60 60 ? A 14.381 1.953 -0.056 1.000 1 A 82.260 1
ATOM 1011 H HD23 . LEU 60 60 ? A 14.966 0.321 -0.479 1.000 1 A 82.260 1
ATOM 1012 N N . THR 61 61 ? A 18.969 -0.107 -3.712 1.000 1 A 85.820 1
ATOM 1013 C CA . THR 61 61 ? A 19.886 -1.005 -4.426 1.000 1 A 85.820 1
ATOM 1014 C C . THR 61 61 ? A 20.000 -2.370 -3.753 1.000 1 A 85.820 1
ATOM 1015 O O . THR 61 61 ? A 20.479 -3.323 -4.359 1.000 1 A 85.820 1
ATOM 1016 C CB . THR 61 61 ? A 21.278 -0.372 -4.566 1.000 1 A 85.820 1
ATOM 1017 O OG1 . THR 61 61 ? A 21.931 -0.231 -3.322 1.000 1 A 85.820 1
ATOM 1018 C CG2 . THR 61 61 ? A 21.233 0.999 -5.242 1.000 1 A 85.820 1
ATOM 1019 H H . THR 61 61 ? A 19.279 0.225 -2.809 1.000 1 A 85.820 1
ATOM 1020 H HA . THR 61 61 ? A 19.510 -1.185 -5.433 1.000 1 A 85.820 1
ATOM 1021 H HB . THR 61 61 ? A 21.886 -1.029 -5.187 1.000 1 A 85.820 1
ATOM 1022 H HG1 . THR 61 61 ? A 21.333 0.134 -2.666 1.000 1 A 85.820 1
ATOM 1023 H HG21 . THR 61 61 ? A 20.736 1.726 -4.600 1.000 1 A 85.820 1
ATOM 1024 H HG22 . THR 61 61 ? A 20.704 0.925 -6.192 1.000 1 A 85.820 1
ATOM 1025 H HG23 . THR 61 61 ? A 22.253 1.336 -5.429 1.000 1 A 85.820 1
ATOM 1026 N N . SER 62 62 ? A 19.532 -2.495 -2.508 1.000 1 A 91.310 1
ATOM 1027 C CA . SER 62 62 ? A 19.639 -3.724 -1.726 1.000 1 A 91.310 1
ATOM 1028 C C . SER 62 62 ? A 18.396 -4.030 -0.889 1.000 1 A 91.310 1
ATOM 1029 O O . SER 62 62 ? A 17.630 -3.151 -0.484 1.000 1 A 91.310 1
ATOM 1030 C CB . SER 62 62 ? A 20.879 -3.640 -0.831 1.000 1 A 91.310 1
ATOM 1031 O OG . SER 62 62 ? A 20.683 -2.659 0.167 1.000 1 A 91.310 1
ATOM 1032 H H . SER 62 62 ? A 19.237 -1.650 -2.039 1.000 1 A 91.310 1
ATOM 1033 H HA . SER 62 62 ? A 19.782 -4.560 -2.410 1.000 1 A 91.310 1
ATOM 1034 H HB2 . SER 62 62 ? A 21.751 -3.385 -1.433 1.000 1 A 91.310 1
ATOM 1035 H HB3 . SER 62 62 ? A 21.052 -4.606 -0.357 1.000 1 A 91.310 1
ATOM 1036 H HG . SER 62 62 ? A 20.749 -1.812 -0.280 1.000 1 A 91.310 1
ATOM 1037 N N . VAL 63 63 ? A 18.247 -5.311 -0.537 1.000 1 A 93.980 1
ATOM 1038 C CA . VAL 63 63 ? A 17.235 -5.803 0.416 1.000 1 A 93.980 1
ATOM 1039 C C . VAL 63 63 ? A 17.307 -5.059 1.751 1.000 1 A 93.980 1
ATOM 1040 O O . VAL 63 63 ? A 16.277 -4.749 2.353 1.000 1 A 93.980 1
ATOM 1041 C CB . VAL 63 63 ? A 17.449 -7.315 0.651 1.000 1 A 93.980 1
ATOM 1042 C CG1 . VAL 63 63 ? A 16.627 -7.895 1.814 1.000 1 A 93.980 1
ATOM 1043 C CG2 . VAL 63 63 ? A 17.123 -8.107 -0.619 1.000 1 A 93.980 1
ATOM 1044 H H . VAL 63 63 ? A 18.863 -5.986 -0.966 1.000 1 A 93.980 1
ATOM 1045 H HA . VAL 63 63 ? A 16.243 -5.639 -0.004 1.000 1 A 93.980 1
ATOM 1046 H HB . VAL 63 63 ? A 18.500 -7.480 0.888 1.000 1 A 93.980 1
ATOM 1047 H HG11 . VAL 63 63 ? A 16.767 -8.975 1.852 1.000 1 A 93.980 1
ATOM 1048 H HG12 . VAL 63 63 ? A 16.964 -7.472 2.761 1.000 1 A 93.980 1
ATOM 1049 H HG13 . VAL 63 63 ? A 15.568 -7.679 1.672 1.000 1 A 93.980 1
ATOM 1050 H HG21 . VAL 63 63 ? A 16.076 -7.971 -0.890 1.000 1 A 93.980 1
ATOM 1051 H HG22 . VAL 63 63 ? A 17.310 -9.169 -0.459 1.000 1 A 93.980 1
ATOM 1052 H HG23 . VAL 63 63 ? A 17.745 -7.779 -1.452 1.000 1 A 93.980 1
ATOM 1053 N N . GLN 64 64 ? A 18.520 -4.763 2.225 1.000 1 A 92.740 1
ATOM 1054 C CA . GLN 64 64 ? A 18.717 -4.093 3.505 1.000 1 A 92.740 1
ATOM 1055 C C . GLN 64 64 ? A 18.216 -2.647 3.466 1.000 1 A 92.740 1
ATOM 1056 O O . GLN 64 64 ? A 17.578 -2.197 4.419 1.000 1 A 92.740 1
ATOM 1057 C CB . GLN 64 64 ? A 20.199 -4.173 3.906 1.000 1 A 92.740 1
ATOM 1058 C CG . GLN 64 64 ? A 20.452 -3.625 5.321 1.000 1 A 92.740 1
ATOM 1059 C CD . GLN 64 64 ? A 19.649 -4.349 6.402 1.000 1 A 92.740 1
ATOM 1060 O OE1 . GLN 64 64 ? A 19.335 -5.525 6.316 1.000 1 A 92.740 1
ATOM 1061 N NE2 . GLN 64 64 ? A 19.240 -3.666 7.448 1.000 1 A 92.740 1
ATOM 1062 H H . GLN 64 64 ? A 19.331 -4.976 1.661 1.000 1 A 92.740 1
ATOM 1063 H HA . GLN 64 64 ? A 18.123 -4.623 4.250 1.000 1 A 92.740 1
ATOM 1064 H HB2 . GLN 64 64 ? A 20.524 -5.213 3.869 1.000 1 A 92.740 1
ATOM 1065 H HB3 . GLN 64 64 ? A 20.799 -3.606 3.194 1.000 1 A 92.740 1
ATOM 1066 H HG2 . GLN 64 64 ? A 20.217 -2.561 5.345 1.000 1 A 92.740 1
ATOM 1067 H HG3 . GLN 64 64 ? A 21.511 -3.732 5.556 1.000 1 A 92.740 1
ATOM 1068 H HE21 . GLN 64 64 ? A 18.736 -4.186 8.153 1.000 1 A 92.740 1
ATOM 1069 H HE22 . GLN 64 64 ? A 19.353 -2.664 7.488 1.000 1 A 92.740 1
ATOM 1070 N N . GLU 65 65 ? A 18.446 -1.923 2.371 1.000 1 A 89.620 1
ATOM 1071 C CA . GLU 65 65 ? A 17.928 -0.563 2.206 1.000 1 A 89.620 1
ATOM 1072 C C . GLU 65 65 ? A 16.405 -0.540 2.193 1.000 1 A 89.620 1
ATOM 1073 O O . GLU 65 65 ? A 15.826 0.299 2.878 1.000 1 A 89.620 1
ATOM 1074 C CB . GLU 65 65 ? A 18.455 0.059 0.918 1.000 1 A 89.620 1
ATOM 1075 C CG . GLU 65 65 ? A 19.931 0.439 1.059 1.000 1 A 89.620 1
ATOM 1076 C CD . GLU 65 65 ? A 20.536 0.792 -0.297 1.000 1 A 89.620 1
ATOM 1077 O OE1 . GLU 65 65 ? A 21.353 1.726 -0.347 1.000 1 A 89.620 1
ATOM 1078 O OE2 . GLU 65 65 ? A 20.191 0.089 -1.276 1.000 1 A 89.620 1
ATOM 1079 H H . GLU 65 65 ? A 18.971 -2.326 1.608 1.000 1 A 89.620 1
ATOM 1080 H HA . GLU 65 65 ? A 18.255 0.054 3.043 1.000 1 A 89.620 1
ATOM 1081 H HB2 . GLU 65 65 ? A 18.300 -0.650 0.104 1.000 1 A 89.620 1
ATOM 1082 H HB3 . GLU 65 65 ? A 17.893 0.967 0.700 1.000 1 A 89.620 1
ATOM 1083 H HG2 . GLU 65 65 ? A 20.005 1.285 1.742 1.000 1 A 89.620 1
ATOM 1084 H HG3 . GLU 65 65 ? A 20.493 -0.388 1.494 1.000 1 A 89.620 1
ATOM 1085 N N . ILE 66 66 ? A 15.756 -1.498 1.521 1.000 1 A 90.920 1
ATOM 1086 C CA . ILE 66 66 ? A 14.292 -1.630 1.546 1.000 1 A 90.920 1
ATOM 1087 C C . ILE 66 66 ? A 13.810 -1.835 2.966 1.000 1 A 90.920 1
ATOM 1088 O O . ILE 66 66 ? A 13.030 -1.029 3.460 1.000 1 A 90.920 1
ATOM 1089 C CB . ILE 66 66 ? A 13.808 -2.771 0.635 1.000 1 A 90.920 1
ATOM 1090 C CG1 . ILE 66 66 ? A 14.034 -2.311 -0.808 1.000 1 A 90.920 1
ATOM 1091 C CG2 . ILE 66 66 ? A 12.321 -3.111 0.878 1.000 1 A 90.920 1
ATOM 1092 C CD1 . ILE 66 66 ? A 13.845 -3.422 -1.814 1.000 1 A 90.920 1
ATOM 1093 H H . ILE 66 66 ? A 16.296 -2.133 0.951 1.000 1 A 90.920 1
ATOM 1094 H HA . ILE 66 66 ? A 13.844 -0.699 1.197 1.000 1 A 90.920 1
ATOM 1095 H HB . ILE 66 66 ? A 14.404 -3.663 0.826 1.000 1 A 90.920 1
ATOM 1096 H HG12 . ILE 66 66 ? A 15.055 -1.949 -0.932 1.000 1 A 90.920 1
ATOM 1097 H HG13 . ILE 66 66 ? A 13.340 -1.503 -1.041 1.000 1 A 90.920 1
ATOM 1098 H HG21 . ILE 66 66 ? A 11.972 -3.854 0.161 1.000 1 A 90.920 1
ATOM 1099 H HG22 . ILE 66 66 ? A 12.171 -3.536 1.870 1.000 1 A 90.920 1
ATOM 1100 H HG23 . ILE 66 66 ? A 11.710 -2.213 0.777 1.000 1 A 90.920 1
ATOM 1101 H HD11 . ILE 66 66 ? A 14.495 -4.258 -1.552 1.000 1 A 90.920 1
ATOM 1102 H HD12 . ILE 66 66 ? A 14.123 -3.026 -2.791 1.000 1 A 90.920 1
ATOM 1103 H HD13 . ILE 66 66 ? A 12.807 -3.753 -1.855 1.000 1 A 90.920 1
ATOM 1104 N N . LYS 67 67 ? A 14.313 -2.863 3.658 1.000 1 A 93.380 1
ATOM 1105 C CA . LYS 67 67 ? A 13.894 -3.153 5.033 1.000 1 A 93.380 1
ATOM 1106 C C . LYS 67 67 ? A 14.082 -1.939 5.934 1.000 1 A 93.380 1
ATOM 1107 O O . LYS 67 67 ? A 13.189 -1.613 6.712 1.000 1 A 93.380 1
ATOM 1108 C CB . LYS 67 67 ? A 14.672 -4.355 5.579 1.000 1 A 93.380 1
ATOM 1109 C CG . LYS 67 67 ? A 14.189 -5.668 4.951 1.000 1 A 93.380 1
ATOM 1110 C CD . LYS 67 67 ? A 14.983 -6.846 5.523 1.000 1 A 93.380 1
ATOM 1111 C CE . LYS 67 67 ? A 14.463 -8.157 4.928 1.000 1 A 93.380 1
ATOM 1112 N NZ . LYS 67 67 ? A 15.193 -9.329 5.474 1.000 1 A 93.380 1
ATOM 1113 H H . LYS 67 67 ? A 14.971 -3.473 3.195 1.000 1 A 93.380 1
ATOM 1114 H HA . LYS 67 67 ? A 12.828 -3.382 5.040 1.000 1 A 93.380 1
ATOM 1115 H HB2 . LYS 67 67 ? A 14.518 -4.411 6.657 1.000 1 A 93.380 1
ATOM 1116 H HB3 . LYS 67 67 ? A 15.737 -4.221 5.389 1.000 1 A 93.380 1
ATOM 1117 H HG2 . LYS 67 67 ? A 13.131 -5.803 5.177 1.000 1 A 93.380 1
ATOM 1118 H HG3 . LYS 67 67 ? A 14.314 -5.637 3.869 1.000 1 A 93.380 1
ATOM 1119 H HD2 . LYS 67 67 ? A 14.869 -6.864 6.606 1.000 1 A 93.380 1
ATOM 1120 H HD3 . LYS 67 67 ? A 16.037 -6.720 5.274 1.000 1 A 93.380 1
ATOM 1121 H HE2 . LYS 67 67 ? A 13.398 -8.240 5.144 1.000 1 A 93.380 1
ATOM 1122 H HE3 . LYS 67 67 ? A 14.576 -8.114 3.844 1.000 1 A 93.380 1
ATOM 1123 H HZ1 . LYS 67 67 ? A 14.850 -10.184 5.059 1.000 1 A 93.380 1
ATOM 1124 H HZ2 . LYS 67 67 ? A 15.076 -9.389 6.475 1.000 1 A 93.380 1
ATOM 1125 H HZ3 . LYS 67 67 ? A 16.180 -9.254 5.271 1.000 1 A 93.380 1
ATOM 1126 N N . THR 68 68 ? A 15.205 -1.238 5.808 1.000 1 A 90.170 1
ATOM 1127 C CA . THR 68 68 ? A 15.519 -0.112 6.691 1.000 1 A 90.170 1
ATOM 1128 C C . THR 68 68 ? A 14.761 1.169 6.324 1.000 1 A 90.170 1
ATOM 1129 O O . THR 68 68 ? A 14.409 1.938 7.216 1.000 1 A 90.170 1
ATOM 1130 C CB . THR 68 68 ? A 17.028 0.173 6.755 1.000 1 A 90.170 1
ATOM 1131 O OG1 . THR 68 68 ? A 17.826 -0.984 6.737 1.000 1 A 90.170 1
ATOM 1132 C CG2 . THR 68 68 ? A 17.373 0.790 8.106 1.000 1 A 90.170 1
ATOM 1133 H H . THR 68 68 ? A 15.884 -1.550 5.127 1.000 1 A 90.170 1
ATOM 1134 H HA . THR 68 68 ? A 15.199 -0.387 7.696 1.000 1 A 90.170 1
ATOM 1135 H HB . THR 68 68 ? A 17.323 0.838 5.942 1.000 1 A 90.170 1
ATOM 1136 H HG1 . THR 68 68 ? A 17.731 -1.406 5.880 1.000 1 A 90.170 1
ATOM 1137 H HG21 . THR 68 68 ? A 17.318 0.018 8.874 1.000 1 A 90.170 1
ATOM 1138 H HG22 . THR 68 68 ? A 16.657 1.558 8.398 1.000 1 A 90.170 1
ATOM 1139 H HG23 . THR 68 68 ? A 18.397 1.161 8.093 1.000 1 A 90.170 1
ATOM 1140 N N . GLN 69 69 ? A 14.526 1.465 5.043 1.000 1 A 87.750 1
ATOM 1141 C CA . GLN 69 69 ? A 13.739 2.632 4.614 1.000 1 A 87.750 1
ATOM 1142 C C . GLN 69 69 ? A 12.255 2.409 4.855 1.000 1 A 87.750 1
ATOM 1143 O O . GLN 69 69 ? A 11.611 3.264 5.457 1.000 1 A 87.750 1
ATOM 1144 C CB . GLN 69 69 ? A 14.004 2.990 3.144 1.000 1 A 87.750 1
ATOM 1145 C CG . GLN 69 69 ? A 15.401 3.596 2.930 1.000 1 A 87.750 1
ATOM 1146 C CD . GLN 69 69 ? A 15.621 4.062 1.493 1.000 1 A 87.750 1
ATOM 1147 O OE1 . GLN 69 69 ? A 14.737 4.613 0.857 1.000 1 A 87.750 1
ATOM 1148 N NE2 . GLN 69 69 ? A 16.810 3.883 0.960 1.000 1 A 87.750 1
ATOM 1149 H H . GLN 69 69 ? A 14.844 0.830 4.324 1.000 1 A 87.750 1
ATOM 1150 H HA . GLN 69 69 ? A 13.996 3.503 5.218 1.000 1 A 87.750 1
ATOM 1151 H HB2 . GLN 69 69 ? A 13.261 3.726 2.837 1.000 1 A 87.750 1
ATOM 1152 H HB3 . GLN 69 69 ? A 13.881 2.108 2.517 1.000 1 A 87.750 1
ATOM 1153 H HG2 . GLN 69 69 ? A 16.162 2.860 3.191 1.000 1 A 87.750 1
ATOM 1154 H HG3 . GLN 69 69 ? A 15.526 4.463 3.578 1.000 1 A 87.750 1
ATOM 1155 H HE21 . GLN 69 69 ? A 17.544 3.384 1.441 1.000 1 A 87.750 1
ATOM 1156 H HE22 . GLN 69 69 ? A 16.925 4.060 -0.028 1.000 1 A 87.750 1
ATOM 1157 N N . PHE 70 70 ? A 11.748 1.243 4.461 1.000 1 A 91.760 1
ATOM 1158 C CA . PHE 70 70 ? A 10.364 0.858 4.665 1.000 1 A 91.760 1
ATOM 1159 C C . PHE 70 70 ? A 10.011 0.888 6.151 1.000 1 A 91.760 1
ATOM 1160 O O . PHE 70 70 ? A 9.178 1.694 6.554 1.000 1 A 91.760 1
ATOM 1161 C CB . PHE 70 70 ? A 10.126 -0.524 4.049 1.000 1 A 91.760 1
ATOM 1162 C CG . PHE 70 70 ? A 8.674 -0.920 4.050 1.000 1 A 91.760 1
ATOM 1163 C CD1 . PHE 70 70 ? A 8.097 -1.516 5.187 1.000 1 A 91.760 1
ATOM 1164 C CD2 . PHE 70 70 ? A 7.891 -0.666 2.913 1.000 1 A 91.760 1
ATOM 1165 C CE1 . PHE 70 70 ? A 6.736 -1.858 5.184 1.000 1 A 91.760 1
ATOM 1166 C CE2 . PHE 70 70 ? A 6.532 -1.004 2.915 1.000 1 A 91.760 1
ATOM 1167 C CZ . PHE 70 70 ? A 5.953 -1.593 4.048 1.000 1 A 91.760 1
ATOM 1168 H H . PHE 70 70 ? A 12.345 0.582 3.986 1.000 1 A 91.760 1
ATOM 1169 H HA . PHE 70 70 ? A 9.722 1.577 4.157 1.000 1 A 91.760 1
ATOM 1170 H HB2 . PHE 70 70 ? A 10.696 -1.278 4.591 1.000 1 A 91.760 1
ATOM 1171 H HB3 . PHE 70 70 ? A 10.480 -0.518 3.018 1.000 1 A 91.760 1
ATOM 1172 H HD1 . PHE 70 70 ? A 8.694 -1.719 6.064 1.000 1 A 91.760 1
ATOM 1173 H HD2 . PHE 70 70 ? A 8.322 -0.204 2.037 1.000 1 A 91.760 1
ATOM 1174 H HE1 . PHE 70 70 ? A 6.294 -2.325 6.052 1.000 1 A 91.760 1
ATOM 1175 H HE2 . PHE 70 70 ? A 5.926 -0.807 2.043 1.000 1 A 91.760 1
ATOM 1176 H HZ . PHE 70 70 ? A 4.903 -1.845 4.032 1.000 1 A 91.760 1
ATOM 1177 N N . THR 71 71 ? A 10.704 0.088 6.974 1.000 1 A 91.750 1
ATOM 1178 C CA . THR 71 71 ? A 10.413 -0.032 8.415 1.000 1 A 91.750 1
ATOM 1179 C C . THR 71 71 ? A 10.543 1.310 9.126 1.000 1 A 91.750 1
ATOM 1180 O O . THR 71 71 ? A 9.718 1.629 9.969 1.000 1 A 91.750 1
ATOM 1181 C CB . THR 71 71 ? A 11.320 -1.059 9.107 1.000 1 A 91.750 1
ATOM 1182 O OG1 . THR 71 71 ? A 11.268 -2.285 8.418 1.000 1 A 91.750 1
ATOM 1183 C CG2 . THR 71 71 ? A 10.906 -1.345 10.549 1.000 1 A 91.750 1
ATOM 1184 H H . THR 71 71 ? A 11.395 -0.532 6.575 1.000 1 A 91.750 1
ATOM 1185 H HA . THR 71 71 ? A 9.388 -0.377 8.544 1.000 1 A 91.750 1
ATOM 1186 H HB . THR 71 71 ? A 12.349 -0.699 9.102 1.000 1 A 91.750 1
ATOM 1187 H HG1 . THR 71 71 ? A 11.946 -2.227 7.741 1.000 1 A 91.750 1
ATOM 1188 H HG21 . THR 71 71 ? A 11.070 -0.464 11.169 1.000 1 A 91.750 1
ATOM 1189 H HG22 . THR 71 71 ? A 9.853 -1.622 10.586 1.000 1 A 91.750 1
ATOM 1190 H HG23 . THR 71 71 ? A 11.504 -2.166 10.945 1.000 1 A 91.750 1
ATOM 1191 N N . GLY 72 72 ? A 11.538 2.127 8.770 1.000 1 A 89.670 1
ATOM 1192 C CA . GLY 72 72 ? A 11.714 3.445 9.377 1.000 1 A 89.670 1
ATOM 1193 C C . GLY 72 72 ? A 10.537 4.394 9.122 1.000 1 A 89.670 1
ATOM 1194 O O . GLY 72 72 ? A 10.046 5.026 10.055 1.000 1 A 89.670 1
ATOM 1195 H H . GLY 72 72 ? A 12.177 1.842 8.042 1.000 1 A 89.670 1
ATOM 1196 H HA2 . GLY 72 72 ? A 11.843 3.341 10.454 1.000 1 A 89.670 1
ATOM 1197 H HA3 . GLY 72 72 ? A 12.619 3.882 8.956 1.000 1 A 89.670 1
ATOM 1198 N N . VAL 73 73 ? A 10.027 4.437 7.885 1.000 1 A 88.320 1
ATOM 1199 C CA . VAL 73 73 ? A 8.847 5.245 7.535 1.000 1 A 88.320 1
ATOM 1200 C C . VAL 73 73 ? A 7.587 4.706 8.210 1.000 1 A 88.320 1
ATOM 1201 O O . VAL 73 73 ? A 6.842 5.480 8.809 1.000 1 A 88.320 1
ATOM 1202 C CB . VAL 73 73 ? A 8.664 5.322 6.004 1.000 1 A 88.320 1
ATOM 1203 C CG1 . VAL 73 73 ? A 7.345 5.992 5.591 1.000 1 A 88.320 1
ATOM 1204 C CG2 . VAL 73 73 ? A 9.804 6.129 5.366 1.000 1 A 88.320 1
ATOM 1205 H H . VAL 73 73 ? A 10.440 3.858 7.168 1.000 1 A 88.320 1
ATOM 1206 H HA . VAL 73 73 ? A 8.992 6.258 7.911 1.000 1 A 88.320 1
ATOM 1207 H HB . VAL 73 73 ? A 8.677 4.313 5.591 1.000 1 A 88.320 1
ATOM 1208 H HG11 . VAL 73 73 ? A 7.279 6.994 6.014 1.000 1 A 88.320 1
ATOM 1209 H HG12 . VAL 73 73 ? A 6.493 5.403 5.931 1.000 1 A 88.320 1
ATOM 1210 H HG13 . VAL 73 73 ? A 7.284 6.048 4.504 1.000 1 A 88.320 1
ATOM 1211 H HG21 . VAL 73 73 ? A 9.780 7.157 5.728 1.000 1 A 88.320 1
ATOM 1212 H HG22 . VAL 73 73 ? A 10.767 5.685 5.617 1.000 1 A 88.320 1
ATOM 1213 H HG23 . VAL 73 73 ? A 9.693 6.126 4.282 1.000 1 A 88.320 1
ATOM 1214 N N . VAL 74 74 ? A 7.331 3.394 8.138 1.000 1 A 92.180 1
ATOM 1215 C CA . VAL 74 74 ? A 6.062 2.831 8.633 1.000 1 A 92.180 1
ATOM 1216 C C . VAL 74 74 ? A 5.998 2.773 10.160 1.000 1 A 92.180 1
ATOM 1217 O O . VAL 74 74 ? A 4.938 3.014 10.729 1.000 1 A 92.180 1
ATOM 1218 C CB . VAL 74 74 ? A 5.701 1.482 7.986 1.000 1 A 92.180 1
ATOM 1219 C CG1 . VAL 74 74 ? A 5.635 1.621 6.458 1.000 1 A 92.180 1
ATOM 1220 C CG2 . VAL 74 74 ? A 6.655 0.338 8.326 1.000 1 A 92.180 1
ATOM 1221 H H . VAL 74 74 ? A 7.978 2.793 7.649 1.000 1 A 92.180 1
ATOM 1222 H HA . VAL 74 74 ? A 5.270 3.519 8.335 1.000 1 A 92.180 1
ATOM 1223 H HB . VAL 74 74 ? A 4.709 1.203 8.340 1.000 1 A 92.180 1
ATOM 1224 H HG11 . VAL 74 74 ? A 6.605 1.906 6.051 1.000 1 A 92.180 1
ATOM 1225 H HG12 . VAL 74 74 ? A 5.352 0.669 6.008 1.000 1 A 92.180 1
ATOM 1226 H HG13 . VAL 74 74 ? A 4.902 2.380 6.185 1.000 1 A 92.180 1
ATOM 1227 H HG21 . VAL 74 74 ? A 6.861 0.305 9.396 1.000 1 A 92.180 1
ATOM 1228 H HG22 . VAL 74 74 ? A 6.196 -0.606 8.030 1.000 1 A 92.180 1
ATOM 1229 H HG23 . VAL 74 74 ? A 7.591 0.450 7.780 1.000 1 A 92.180 1
ATOM 1230 N N . THR 75 75 ? A 7.122 2.557 10.846 1.000 1 A 92.660 1
ATOM 1231 C CA . THR 75 75 ? A 7.177 2.656 12.311 1.000 1 A 92.660 1
ATOM 1232 C C . THR 75 75 ? A 6.862 4.077 12.768 1.000 1 A 92.660 1
ATOM 1233 O O . THR 75 75 ? A 6.070 4.256 13.686 1.000 1 A 92.660 1
ATOM 1234 C CB . THR 75 75 ? A 8.545 2.211 12.842 1.000 1 A 92.660 1
ATOM 1235 O OG1 . THR 75 75 ? A 8.716 0.840 12.568 1.000 1 A 92.660 1
ATOM 1236 C CG2 . THR 75 75 ? A 8.698 2.362 14.354 1.000 1 A 92.660 1
ATOM 1237 H H . THR 75 75 ? A 7.971 2.318 10.353 1.000 1 A 92.660 1
ATOM 1238 H HA . THR 75 75 ? A 6.420 2.000 12.741 1.000 1 A 92.660 1
ATOM 1239 H HB . THR 75 75 ? A 9.330 2.781 12.346 1.000 1 A 92.660 1
ATOM 1240 H HG1 . THR 75 75 ? A 9.660 0.680 12.499 1.000 1 A 92.660 1
ATOM 1241 H HG21 . THR 75 75 ? A 7.877 1.854 14.861 1.000 1 A 92.660 1
ATOM 1242 H HG22 . THR 75 75 ? A 9.644 1.926 14.676 1.000 1 A 92.660 1
ATOM 1243 H HG23 . THR 75 75 ? A 8.691 3.417 14.630 1.000 1 A 92.660 1
ATOM 1244 N N . GLU 76 76 ? A 7.409 5.101 12.106 1.000 1 A 89.030 1
ATOM 1245 C CA . GLU 76 76 ? A 7.106 6.496 12.448 1.000 1 A 89.030 1
ATOM 1246 C C . GLU 76 76 ? A 5.660 6.887 12.076 1.000 1 A 89.030 1
ATOM 1247 O O . GLU 76 76 ? A 5.021 7.652 12.799 1.000 1 A 89.030 1
ATOM 1248 C CB . GLU 76 76 ? A 8.164 7.401 11.798 1.000 1 A 89.030 1
ATOM 1249 C CG . GLU 76 76 ? A 8.031 8.879 12.184 1.000 1 A 89.030 1
ATOM 1250 C CD . GLU 76 76 ? A 8.124 9.187 13.694 1.000 1 A 89.030 1
ATOM 1251 O OE1 . GLU 76 76 ? A 7.451 10.152 14.138 1.000 1 A 89.030 1
ATOM 1252 O OE2 . GLU 76 76 ? A 8.868 8.497 14.427 1.000 1 A 89.030 1
ATOM 1253 H H . GLU 76 76 ? A 8.052 4.922 11.348 1.000 1 A 89.030 1
ATOM 1254 H HA . GLU 76 76 ? A 7.196 6.608 13.529 1.000 1 A 89.030 1
ATOM 1255 H HB2 . GLU 76 76 ? A 9.156 7.054 12.087 1.000 1 A 89.030 1
ATOM 1256 H HB3 . GLU 76 76 ? A 8.082 7.318 10.714 1.000 1 A 89.030 1
ATOM 1257 H HG2 . GLU 76 76 ? A 7.064 9.211 11.805 1.000 1 A 89.030 1
ATOM 1258 H HG3 . GLU 76 76 ? A 8.801 9.446 11.659 1.000 1 A 89.030 1
ATOM 1259 N N . LEU 77 77 ? A 5.104 6.321 10.996 1.000 1 A 90.410 1
ATOM 1260 C CA . LEU 77 77 ? A 3.702 6.505 10.599 1.000 1 A 90.410 1
ATOM 1261 C C . LEU 77 77 ? A 2.719 5.999 11.666 1.000 1 A 90.410 1
ATOM 1262 O O . LEU 77 77 ? A 1.702 6.645 11.924 1.000 1 A 90.410 1
ATOM 1263 C CB . LEU 77 77 ? A 3.466 5.780 9.260 1.000 1 A 90.410 1
ATOM 1264 C CG . LEU 77 77 ? A 2.024 5.854 8.724 1.000 1 A 90.410 1
ATOM 1265 C CD1 . LEU 77 77 ? A 1.609 7.297 8.429 1.000 1 A 90.410 1
ATOM 1266 C CD2 . LEU 77 77 ? A 1.923 5.025 7.444 1.000 1 A 90.410 1
ATOM 1267 H H . LEU 77 77 ? A 5.693 5.744 10.412 1.000 1 A 90.410 1
ATOM 1268 H HA . LEU 77 77 ? A 3.522 7.571 10.465 1.000 1 A 90.410 1
ATOM 1269 H HB2 . LEU 77 77 ? A 4.146 6.192 8.514 1.000 1 A 90.410 1
ATOM 1270 H HB3 . LEU 77 77 ? A 3.708 4.726 9.393 1.000 1 A 90.410 1
ATOM 1271 H HG . LEU 77 77 ? A 1.330 5.430 9.449 1.000 1 A 90.410 1
ATOM 1272 H HD11 . LEU 77 77 ? A 1.529 7.853 9.363 1.000 1 A 90.410 1
ATOM 1273 H HD12 . LEU 77 77 ? A 0.637 7.308 7.935 1.000 1 A 90.410 1
ATOM 1274 H HD13 . LEU 77 77 ? A 2.355 7.770 7.790 1.000 1 A 90.410 1
ATOM 1275 H HD21 . LEU 77 77 ? A 0.914 5.088 7.036 1.000 1 A 90.410 1
ATOM 1276 H HD22 . LEU 77 77 ? A 2.646 5.379 6.709 1.000 1 A 90.410 1
ATOM 1277 H HD23 . LEU 77 77 ? A 2.134 3.981 7.676 1.000 1 A 90.410 1
ATOM 1278 N N . PHE 78 78 ? A 3.008 4.854 12.283 1.000 1 A 94.020 1
ATOM 1279 C CA . PHE 78 78 ? A 2.123 4.214 13.261 1.000 1 A 94.020 1
ATOM 1280 C C . PHE 78 78 ? A 2.527 4.445 14.721 1.000 1 A 94.020 1
ATOM 1281 O O . PHE 78 78 ? A 1.837 3.967 15.615 1.000 1 A 94.020 1
ATOM 1282 C CB . PHE 78 78 ? A 1.972 2.731 12.913 1.000 1 A 94.020 1
ATOM 1283 C CG . PHE 78 78 ? A 1.237 2.502 11.607 1.000 1 A 94.020 1
ATOM 1284 C CD1 . PHE 78 78 ? A -0.131 2.814 11.508 1.000 1 A 94.020 1
ATOM 1285 C CD2 . PHE 78 78 ? A 1.908 1.965 10.496 1.000 1 A 94.020 1
ATOM 1286 C CE1 . PHE 78 78 ? A -0.829 2.568 10.313 1.000 1 A 94.020 1
ATOM 1287 C CE2 . PHE 78 78 ? A 1.220 1.740 9.294 1.000 1 A 94.020 1
ATOM 1288 C CZ . PHE 78 78 ? A -0.150 2.039 9.202 1.000 1 A 94.020 1
ATOM 1289 H H . PHE 78 78 ? A 3.835 4.352 11.991 1.000 1 A 94.020 1
ATOM 1290 H HA . PHE 78 78 ? A 1.129 4.652 13.178 1.000 1 A 94.020 1
ATOM 1291 H HB2 . PHE 78 78 ? A 1.409 2.232 13.702 1.000 1 A 94.020 1
ATOM 1292 H HB3 . PHE 78 78 ? A 2.959 2.268 12.874 1.000 1 A 94.020 1
ATOM 1293 H HD1 . PHE 78 78 ? A -0.646 3.226 12.364 1.000 1 A 94.020 1
ATOM 1294 H HD2 . PHE 78 78 ? A 2.951 1.696 10.572 1.000 1 A 94.020 1
ATOM 1295 H HE1 . PHE 78 78 ? A -1.888 2.770 10.250 1.000 1 A 94.020 1
ATOM 1296 H HE2 . PHE 78 78 ? A 1.740 1.307 8.452 1.000 1 A 94.020 1
ATOM 1297 H HZ . PHE 78 78 ? A -0.684 1.844 8.284 1.000 1 A 94.020 1
ATOM 1298 N N . LYS 79 79 ? A 3.588 5.221 14.973 1.000 1 A 91.160 1
ATOM 1299 C CA . LYS 79 79 ? A 4.118 5.498 16.317 1.000 1 A 91.160 1
ATOM 1300 C C . LYS 79 79 ? A 3.072 6.036 17.295 1.000 1 A 91.160 1
ATOM 1301 O O . LYS 79 79 ? A 3.054 5.624 18.448 1.000 1 A 91.160 1
ATOM 1302 C CB . LYS 79 79 ? A 5.274 6.492 16.167 1.000 1 A 91.160 1
ATOM 1303 C CG . LYS 79 79 ? A 5.956 6.816 17.501 1.000 1 A 91.160 1
ATOM 1304 C CD . LYS 79 79 ? A 7.093 7.788 17.214 1.000 1 A 91.160 1
ATOM 1305 C CE . LYS 79 79 ? A 7.815 8.192 18.494 1.000 1 A 91.160 1
ATOM 1306 N NZ . LYS 79 79 ? A 8.885 9.147 18.135 1.000 1 A 91.160 1
ATOM 1307 H H . LYS 79 79 ? A 4.149 5.508 14.184 1.000 1 A 91.160 1
ATOM 1308 H HA . LYS 79 79 ? A 4.495 4.569 16.745 1.000 1 A 91.160 1
ATOM 1309 H HB2 . LYS 79 79 ? A 6.018 6.068 15.493 1.000 1 A 91.160 1
ATOM 1310 H HB3 . LYS 79 79 ? A 4.898 7.414 15.724 1.000 1 A 91.160 1
ATOM 1311 H HG2 . LYS 79 79 ? A 5.252 7.286 18.186 1.000 1 A 91.160 1
ATOM 1312 H HG3 . LYS 79 79 ? A 6.350 5.903 17.947 1.000 1 A 91.160 1
ATOM 1313 H HD2 . LYS 79 79 ? A 6.686 8.677 16.732 1.000 1 A 91.160 1
ATOM 1314 H HD3 . LYS 79 79 ? A 7.800 7.315 16.532 1.000 1 A 91.160 1
ATOM 1315 H HE2 . LYS 79 79 ? A 7.096 8.645 19.176 1.000 1 A 91.160 1
ATOM 1316 H HE3 . LYS 79 79 ? A 8.229 7.297 18.960 1.000 1 A 91.160 1
ATOM 1317 H HZ1 . LYS 79 79 ? A 9.465 9.377 18.929 1.000 1 A 91.160 1
ATOM 1318 H HZ2 . LYS 79 79 ? A 8.468 9.983 17.751 1.000 1 A 91.160 1
ATOM 1319 H HZ3 . LYS 79 79 ? A 9.442 8.756 17.388 1.000 1 A 91.160 1
ATOM 1320 N N . ASP 80 80 ? A 2.233 6.962 16.830 1.000 1 A 90.000 1
ATOM 1321 C CA . ASP 80 80 ? A 1.301 7.690 17.703 1.000 1 A 90.000 1
ATOM 1322 C C . ASP 80 80 ? A -0.113 7.078 17.712 1.000 1 A 90.000 1
ATOM 1323 O O . ASP 80 80 ? A -0.841 7.205 18.692 1.000 1 A 90.000 1
ATOM 1324 C CB . ASP 80 80 ? A 1.240 9.171 17.276 1.000 1 A 90.000 1
ATOM 1325 C CG . ASP 80 80 ? A 2.602 9.888 17.193 1.000 1 A 90.000 1
ATOM 1326 O OD1 . ASP 80 80 ? A 3.482 9.634 18.039 1.000 1 A 90.000 1
ATOM 1327 O OD2 . ASP 80 80 ? A 2.783 10.689 16.233 1.000 1 A 90.000 1
ATOM 1328 H H . ASP 80 80 ? A 2.389 7.281 15.884 1.000 1 A 90.000 1
ATOM 1329 H HA . ASP 80 80 ? A 1.671 7.661 18.728 1.000 1 A 90.000 1
ATOM 1330 H HB2 . ASP 80 80 ? A 0.613 9.711 17.985 1.000 1 A 90.000 1
ATOM 1331 H HB3 . ASP 80 80 ? A 0.751 9.226 16.303 1.000 1 A 90.000 1
ATOM 1332 N N . LEU 81 81 ? A -0.537 6.472 16.598 1.000 1 A 93.010 1
ATOM 1333 C CA . LEU 81 81 ? A -1.895 5.957 16.402 1.000 1 A 93.010 1
ATOM 1334 C C . LEU 81 81 ? A -1.946 5.019 15.187 1.000 1 A 93.010 1
ATOM 1335 O O . LEU 81 81 ? A -1.315 5.282 14.158 1.000 1 A 93.010 1
ATOM 1336 C CB . LEU 81 81 ? A -2.862 7.152 16.212 1.000 1 A 93.010 1
ATOM 1337 C CG . LEU 81 81 ? A -4.342 6.798 15.978 1.000 1 A 93.010 1
ATOM 1338 C CD1 . LEU 81 81 ? A -4.984 6.156 17.207 1.000 1 A 93.010 1
ATOM 1339 C CD2 . LEU 81 81 ? A -5.125 8.060 15.617 1.000 1 A 93.010 1
ATOM 1340 H H . LEU 81 81 ? A 0.146 6.268 15.883 1.000 1 A 93.010 1
ATOM 1341 H HA . LEU 81 81 ? A -2.182 5.398 17.292 1.000 1 A 93.010 1
ATOM 1342 H HB2 . LEU 81 81 ? A -2.516 7.731 15.356 1.000 1 A 93.010 1
ATOM 1343 H HB3 . LEU 81 81 ? A -2.805 7.798 17.088 1.000 1 A 93.010 1
ATOM 1344 H HG . LEU 81 81 ? A -4.424 6.122 15.127 1.000 1 A 93.010 1
ATOM 1345 H HD11 . LEU 81 81 ? A -4.487 5.217 17.448 1.000 1 A 93.010 1
ATOM 1346 H HD12 . LEU 81 81 ? A -6.032 5.936 17.002 1.000 1 A 93.010 1
ATOM 1347 H HD13 . LEU 81 81 ? A -4.916 6.826 18.064 1.000 1 A 93.010 1
ATOM 1348 H HD21 . LEU 81 81 ? A -5.080 8.769 16.444 1.000 1 A 93.010 1
ATOM 1349 H HD22 . LEU 81 81 ? A -6.168 7.799 15.435 1.000 1 A 93.010 1
ATOM 1350 H HD23 . LEU 81 81 ? A -4.702 8.516 14.722 1.000 1 A 93.010 1
ATOM 1351 N N . ILE 82 82 ? A -2.782 3.983 15.274 1.000 1 A 95.320 1
ATOM 1352 C CA . ILE 82 82 ? A -3.236 3.191 14.127 1.000 1 A 95.320 1
ATOM 1353 C C . ILE 82 82 ? A -4.676 3.603 13.808 1.000 1 A 95.320 1
ATOM 1354 O O . ILE 82 82 ? A -5.506 3.728 14.704 1.000 1 A 95.320 1
ATOM 1355 C CB . ILE 82 82 ? A -3.094 1.674 14.382 1.000 1 A 95.320 1
ATOM 1356 C CG1 . ILE 82 82 ? A -1.651 1.302 14.802 1.000 1 A 95.320 1
ATOM 1357 C CG2 . ILE 82 82 ? A -3.490 0.902 13.107 1.000 1 A 95.320 1
ATOM 1358 C CD1 . ILE 82 82 ? A -1.474 -0.167 15.204 1.000 1 A 95.320 1
ATOM 1359 H H . ILE 82 82 ? A -3.277 3.841 16.143 1.000 1 A 95.320 1
ATOM 1360 H HA . ILE 82 82 ? A -2.623 3.434 13.258 1.000 1 A 95.320 1
ATOM 1361 H HB . ILE 82 82 ? A -3.772 1.395 15.189 1.000 1 A 95.320 1
ATOM 1362 H HG12 . ILE 82 82 ? A -1.355 1.899 15.665 1.000 1 A 95.320 1
ATOM 1363 H HG13 . ILE 82 82 ? A -0.963 1.525 13.987 1.000 1 A 95.320 1
ATOM 1364 H HG21 . ILE 82 82 ? A -3.473 -0.172 13.296 1.000 1 A 95.320 1
ATOM 1365 H HG22 . ILE 82 82 ? A -4.507 1.149 12.804 1.000 1 A 95.320 1
ATOM 1366 H HG23 . ILE 82 82 ? A -2.802 1.129 12.293 1.000 1 A 95.320 1
ATOM 1367 H HD11 . ILE 82 82 ? A -1.608 -0.823 14.344 1.000 1 A 95.320 1
ATOM 1368 H HD12 . ILE 82 82 ? A -2.193 -0.430 15.980 1.000 1 A 95.320 1
ATOM 1369 H HD13 . ILE 82 82 ? A -0.466 -0.315 15.592 1.000 1 A 95.320 1
ATOM 1370 N N . ASN 83 83 ? A -4.955 3.870 12.532 1.000 1 A 94.480 1
ATOM 1371 C CA . ASN 83 83 ? A -6.300 4.096 12.015 1.000 1 A 94.480 1
ATOM 1372 C C . ASN 83 83 ? A -6.369 3.674 10.535 1.000 1 A 94.480 1
ATOM 1373 O O . ASN 83 83 ? A -5.332 3.515 9.880 1.000 1 A 94.480 1
ATOM 1374 C CB . ASN 83 83 ? A -6.730 5.559 12.270 1.000 1 A 94.480 1
ATOM 1375 C CG . ASN 83 83 ? A -5.980 6.609 11.470 1.000 1 A 94.480 1
ATOM 1376 O OD1 . ASN 83 83 ? A -5.595 6.420 10.334 1.000 1 A 94.480 1
ATOM 1377 N ND2 . ASN 83 83 ? A -5.800 7.796 11.997 1.000 1 A 94.480 1
ATOM 1378 H H . ASN 83 83 ? A -4.236 3.713 11.840 1.000 1 A 94.480 1
ATOM 1379 H HA . ASN 83 83 ? A -6.985 3.452 12.566 1.000 1 A 94.480 1
ATOM 1380 H HB2 . ASN 83 83 ? A -6.615 5.773 13.333 1.000 1 A 94.480 1
ATOM 1381 H HB3 . ASN 83 83 ? A -7.789 5.662 12.037 1.000 1 A 94.480 1
ATOM 1382 H HD21 . ASN 83 83 ? A -6.183 7.999 12.910 1.000 1 A 94.480 1
ATOM 1383 H HD22 . ASN 83 83 ? A -5.480 8.504 11.353 1.000 1 A 94.480 1
ATOM 1384 N N . TRP 84 84 ? A -7.580 3.534 9.994 1.000 1 A 95.590 1
ATOM 1385 C CA . TRP 84 84 ? A -7.791 3.105 8.608 1.000 1 A 95.590 1
ATOM 1386 C C . TRP 84 84 ? A -7.134 4.020 7.573 1.000 1 A 95.590 1
ATOM 1387 O O . TRP 84 84 ? A -6.539 3.541 6.610 1.000 1 A 95.590 1
ATOM 1388 C CB . TRP 84 84 ? A -9.294 2.986 8.350 1.000 1 A 95.590 1
ATOM 1389 C CG . TRP 84 84 ? A -9.979 1.955 9.187 1.000 1 A 95.590 1
ATOM 1390 C CD1 . TRP 84 84 ? A -11.094 2.135 9.934 1.000 1 A 95.590 1
ATOM 1391 C CD2 . TRP 84 84 ? A -9.633 0.544 9.321 1.000 1 A 95.590 1
ATOM 1392 N NE1 . TRP 84 84 ? A -11.435 0.944 10.546 1.000 1 A 95.590 1
ATOM 1393 C CE2 . TRP 84 84 ? A -10.574 -0.070 10.198 1.000 1 A 95.590 1
ATOM 1394 C CE3 . TRP 84 84 ? A -8.648 -0.290 8.748 1.000 1 A 95.590 1
ATOM 1395 C CZ2 . TRP 84 84 ? A -10.531 -1.435 10.501 1.000 1 A 95.590 1
ATOM 1396 C CZ3 . TRP 84 84 ? A -8.611 -1.664 9.033 1.000 1 A 95.590 1
ATOM 1397 C CH2 . TRP 84 84 ? A -9.546 -2.238 9.912 1.000 1 A 95.590 1
ATOM 1398 H H . TRP 84 84 ? A -8.397 3.596 10.586 1.000 1 A 95.590 1
ATOM 1399 H HA . TRP 84 84 ? A -7.340 2.121 8.479 1.000 1 A 95.590 1
ATOM 1400 H HB2 . TRP 84 84 ? A -9.767 3.954 8.512 1.000 1 A 95.590 1
ATOM 1401 H HB3 . TRP 84 84 ? A -9.439 2.708 7.306 1.000 1 A 95.590 1
ATOM 1402 H HD1 . TRP 84 84 ? A -11.662 3.050 10.010 1.000 1 A 95.590 1
ATOM 1403 H HE1 . TRP 84 84 ? A -12.295 0.802 11.056 1.000 1 A 95.590 1
ATOM 1404 H HE3 . TRP 84 84 ? A -7.953 0.114 8.027 1.000 1 A 95.590 1
ATOM 1405 H HZ2 . TRP 84 84 ? A -11.283 -1.877 11.137 1.000 1 A 95.590 1
ATOM 1406 H HZ3 . TRP 84 84 ? A -7.899 -2.294 8.520 1.000 1 A 95.590 1
ATOM 1407 H HH2 . TRP 84 84 ? A -9.557 -3.303 10.093 1.000 1 A 95.590 1
ATOM 1408 N N . GLY 85 85 ? A -7.139 5.334 7.803 1.000 1 A 93.630 1
ATOM 1409 C CA . GLY 85 85 ? A -6.515 6.286 6.888 1.000 1 A 93.630 1
ATOM 1410 C C . GLY 85 85 ? A -4.988 6.162 6.804 1.000 1 A 93.630 1
ATOM 1411 O O . GLY 85 85 ? A -4.414 6.315 5.725 1.000 1 A 93.630 1
ATOM 1412 H H . GLY 85 85 ? A -7.619 5.678 8.623 1.000 1 A 93.630 1
ATOM 1413 H HA2 . GLY 85 85 ? A -6.925 6.123 5.891 1.000 1 A 93.630 1
ATOM 1414 H HA3 . GLY 85 85 ? A -6.767 7.295 7.216 1.000 1 A 93.630 1
ATOM 1415 N N . ARG 86 86 ? A -4.314 5.832 7.912 1.000 1 A 93.560 1
ATOM 1416 C CA . ARG 86 86 ? A -2.875 5.517 7.936 1.000 1 A 93.560 1
ATOM 1417 C C . ARG 86 86 ? A -2.591 4.157 7.309 1.000 1 A 93.560 1
ATOM 1418 O O . ARG 86 86 ? A -1.566 4.011 6.651 1.000 1 A 93.560 1
ATOM 1419 C CB . ARG 86 86 ? A -2.334 5.563 9.370 1.000 1 A 93.560 1
ATOM 1420 C CG . ARG 86 86 ? A -2.295 6.979 9.954 1.000 1 A 93.560 1
ATOM 1421 C CD . ARG 86 86 ? A -1.796 6.911 11.400 1.000 1 A 93.560 1
ATOM 1422 N NE . ARG 86 86 ? A -1.920 8.215 12.070 1.000 1 A 93.560 1
ATOM 1423 C CZ . ARG 86 86 ? A -1.234 8.618 13.123 1.000 1 A 93.560 1
ATOM 1424 N NH1 . ARG 86 86 ? A -0.284 7.916 13.661 1.000 1 A 93.560 1
ATOM 1425 N NH2 . ARG 86 86 ? A -1.485 9.773 13.667 1.000 1 A 93.560 1
ATOM 1426 H H . ARG 86 86 ? A -4.840 5.753 8.770 1.000 1 A 93.560 1
ATOM 1427 H HA . ARG 86 86 ? A -2.336 6.247 7.331 1.000 1 A 93.560 1
ATOM 1428 H HB2 . ARG 86 86 ? A -2.949 4.925 10.005 1.000 1 A 93.560 1
ATOM 1429 H HB3 . ARG 86 86 ? A -1.316 5.173 9.370 1.000 1 A 93.560 1
ATOM 1430 H HG2 . ARG 86 86 ? A -1.621 7.601 9.366 1.000 1 A 93.560 1
ATOM 1431 H HG3 . ARG 86 86 ? A -3.291 7.421 9.932 1.000 1 A 93.560 1
ATOM 1432 H HD2 . ARG 86 86 ? A -2.393 6.180 11.946 1.000 1 A 93.560 1
ATOM 1433 H HD3 . ARG 86 86 ? A -0.760 6.574 11.396 1.000 1 A 93.560 1
ATOM 1434 H HE . ARG 86 86 ? A -2.622 8.844 11.705 1.000 1 A 93.560 1
ATOM 1435 H HH11 . ARG 86 86 ? A 0.407 8.373 14.239 1.000 1 A 93.560 1
ATOM 1436 H HH12 . ARG 86 86 ? A -0.081 7.006 13.272 1.000 1 A 93.560 1
ATOM 1437 H HH21 . ARG 86 86 ? A -2.167 10.397 13.261 1.000 1 A 93.560 1
ATOM 1438 H HH22 . ARG 86 86 ? A -0.942 10.046 14.474 1.000 1 A 93.560 1
ATOM 1439 N N . ILE 87 87 ? A -3.502 3.192 7.450 1.000 1 A 96.320 1
ATOM 1440 C CA . ILE 87 87 ? A -3.420 1.897 6.760 1.000 1 A 96.320 1
ATOM 1441 C C . ILE 87 87 ? A -3.513 2.090 5.237 1.000 1 A 96.320 1
ATOM 1442 O O . ILE 87 87 ? A -2.686 1.532 4.518 1.000 1 A 96.320 1
ATOM 1443 C CB . ILE 87 87 ? A -4.457 0.901 7.329 1.000 1 A 96.320 1
ATOM 1444 C CG1 . ILE 87 87 ? A -4.076 0.530 8.783 1.000 1 A 96.320 1
ATOM 1445 C CG2 . ILE 87 87 ? A -4.536 -0.367 6.459 1.000 1 A 96.320 1
ATOM 1446 C CD1 . ILE 87 87 ? A -5.193 -0.168 9.565 1.000 1 A 96.320 1
ATOM 1447 H H . ILE 87 87 ? A -4.311 3.380 8.025 1.000 1 A 96.320 1
ATOM 1448 H HA . ILE 87 87 ? A -2.436 1.468 6.948 1.000 1 A 96.320 1
ATOM 1449 H HB . ILE 87 87 ? A -5.441 1.371 7.330 1.000 1 A 96.320 1
ATOM 1450 H HG12 . ILE 87 87 ? A -3.810 1.428 9.341 1.000 1 A 96.320 1
ATOM 1451 H HG13 . ILE 87 87 ? A -3.200 -0.118 8.770 1.000 1 A 96.320 1
ATOM 1452 H HG21 . ILE 87 87 ? A -5.230 -1.089 6.889 1.000 1 A 96.320 1
ATOM 1453 H HG22 . ILE 87 87 ? A -3.553 -0.829 6.366 1.000 1 A 96.320 1
ATOM 1454 H HG23 . ILE 87 87 ? A -4.918 -0.122 5.468 1.000 1 A 96.320 1
ATOM 1455 H HD11 . ILE 87 87 ? A -6.052 0.497 9.653 1.000 1 A 96.320 1
ATOM 1456 H HD12 . ILE 87 87 ? A -5.492 -1.093 9.074 1.000 1 A 96.320 1
ATOM 1457 H HD13 . ILE 87 87 ? A -4.834 -0.407 10.567 1.000 1 A 96.320 1
ATOM 1458 N N . CYS 88 88 ? A -4.400 2.956 4.731 1.000 1 A 95.100 1
ATOM 1459 C CA . CYS 88 88 ? A -4.403 3.342 3.312 1.000 1 A 95.100 1
ATOM 1460 C C . CYS 88 88 ? A -3.057 3.940 2.878 1.000 1 A 95.100 1
ATOM 1461 O O . CYS 88 88 ? A -2.488 3.518 1.871 1.000 1 A 95.100 1
ATOM 1462 C CB . CYS 88 88 ? A -5.530 4.345 3.031 1.000 1 A 95.100 1
ATOM 1463 S SG . CYS 88 88 ? A -7.131 3.508 3.076 1.000 1 A 95.100 1
ATOM 1464 H H . CYS 88 88 ? A -5.131 3.313 5.330 1.000 1 A 95.100 1
ATOM 1465 H HA . CYS 88 88 ? A -4.569 2.454 2.702 1.000 1 A 95.100 1
ATOM 1466 H HB2 . CYS 88 88 ? A -5.393 4.769 2.037 1.000 1 A 95.100 1
ATOM 1467 H HB3 . CYS 88 88 ? A -5.514 5.155 3.760 1.000 1 A 95.100 1
ATOM 1468 H HG . CYS 88 88 ? A -7.870 4.536 2.650 1.000 1 A 95.100 1
ATOM 1469 N N . GLY 89 89 ? A -2.510 4.877 3.663 1.000 1 A 92.650 1
ATOM 1470 C CA . GLY 89 89 ? A -1.188 5.459 3.404 1.000 1 A 92.650 1
ATOM 1471 C C . GLY 89 89 ? A -0.072 4.409 3.357 1.000 1 A 92.650 1
ATOM 1472 O O . GLY 89 89 ? A 0.773 4.445 2.466 1.000 1 A 92.650 1
ATOM 1473 H H . GLY 89 89 ? A -3.043 5.202 4.457 1.000 1 A 92.650 1
ATOM 1474 H HA2 . GLY 89 89 ? A -1.206 5.985 2.450 1.000 1 A 92.650 1
ATOM 1475 H HA3 . GLY 89 89 ? A -0.954 6.170 4.196 1.000 1 A 92.650 1
ATOM 1476 N N . PHE 90 90 ? A -0.102 3.430 4.263 1.000 1 A 95.510 1
ATOM 1477 C CA . PHE 90 90 ? A 0.814 2.290 4.284 1.000 1 A 95.510 1
ATOM 1478 C C . PHE 90 90 ? A 0.705 1.414 3.027 1.000 1 A 95.510 1
ATOM 1479 O O . PHE 90 90 ? A 1.731 1.072 2.433 1.000 1 A 95.510 1
ATOM 1480 C CB . PHE 90 90 ? A 0.540 1.476 5.556 1.000 1 A 95.510 1
ATOM 1481 C CG . PHE 90 90 ? A 1.183 0.106 5.572 1.000 1 A 95.510 1
ATOM 1482 C CD1 . PHE 90 90 ? A 0.470 -1.027 5.132 1.000 1 A 95.510 1
ATOM 1483 C CD2 . PHE 90 90 ? A 2.510 -0.028 6.002 1.000 1 A 95.510 1
ATOM 1484 C CE1 . PHE 90 90 ? A 1.105 -2.280 5.099 1.000 1 A 95.510 1
ATOM 1485 C CE2 . PHE 90 90 ? A 3.129 -1.287 6.001 1.000 1 A 95.510 1
ATOM 1486 C CZ . PHE 90 90 ? A 2.429 -2.411 5.539 1.000 1 A 95.510 1
ATOM 1487 H H . PHE 90 90 ? A -0.817 3.469 4.976 1.000 1 A 95.510 1
ATOM 1488 H HA . PHE 90 90 ? A 1.839 2.658 4.326 1.000 1 A 95.510 1
ATOM 1489 H HB2 . PHE 90 90 ? A -0.534 1.340 5.687 1.000 1 A 95.510 1
ATOM 1490 H HB3 . PHE 90 90 ? A 0.897 2.053 6.409 1.000 1 A 95.510 1
ATOM 1491 H HD1 . PHE 90 90 ? A -0.554 -0.931 4.803 1.000 1 A 95.510 1
ATOM 1492 H HD2 . PHE 90 90 ? A 3.048 0.842 6.349 1.000 1 A 95.510 1
ATOM 1493 H HE1 . PHE 90 90 ? A 0.587 -3.152 4.728 1.000 1 A 95.510 1
ATOM 1494 H HE2 . PHE 90 90 ? A 4.143 -1.391 6.360 1.000 1 A 95.510 1
ATOM 1495 H HZ . PHE 90 90 ? A 2.908 -3.378 5.525 1.000 1 A 95.510 1
ATOM 1496 N N . ILE 91 91 ? A -0.514 1.067 2.599 1.000 1 A 97.490 1
ATOM 1497 C CA . ILE 91 91 ? A -0.752 0.234 1.411 1.000 1 A 97.490 1
ATOM 1498 C C . ILE 91 91 ? A -0.236 0.948 0.156 1.000 1 A 97.490 1
ATOM 1499 O O . ILE 91 91 ? A 0.539 0.371 -0.608 1.000 1 A 97.490 1
ATOM 1500 C CB . ILE 91 91 ? A -2.253 -0.124 1.288 1.000 1 A 97.490 1
ATOM 1501 C CG1 . ILE 91 91 ? A -2.727 -1.034 2.443 1.000 1 A 97.490 1
ATOM 1502 C CG2 . ILE 91 91 ? A -2.533 -0.825 -0.053 1.000 1 A 97.490 1
ATOM 1503 C CD1 . ILE 91 91 ? A -4.248 -1.018 2.635 1.000 1 A 97.490 1
ATOM 1504 H H . ILE 91 91 ? A -1.313 1.373 3.136 1.000 1 A 97.490 1
ATOM 1505 H HA . ILE 91 91 ? A -0.188 -0.694 1.510 1.000 1 A 97.490 1
ATOM 1506 H HB . ILE 91 91 ? A -2.827 0.802 1.319 1.000 1 A 97.490 1
ATOM 1507 H HG12 . ILE 91 91 ? A -2.280 -0.710 3.383 1.000 1 A 97.490 1
ATOM 1508 H HG13 . ILE 91 91 ? A -2.409 -2.060 2.259 1.000 1 A 97.490 1
ATOM 1509 H HG21 . ILE 91 91 ? A -1.852 -1.664 -0.197 1.000 1 A 97.490 1
ATOM 1510 H HG22 . ILE 91 91 ? A -2.422 -0.117 -0.874 1.000 1 A 97.490 1
ATOM 1511 H HG23 . ILE 91 91 ? A -3.554 -1.205 -0.085 1.000 1 A 97.490 1
ATOM 1512 H HD11 . ILE 91 91 ? A -4.595 0.005 2.780 1.000 1 A 97.490 1
ATOM 1513 H HD12 . ILE 91 91 ? A -4.756 -1.455 1.775 1.000 1 A 97.490 1
ATOM 1514 H HD13 . ILE 91 91 ? A -4.502 -1.598 3.522 1.000 1 A 97.490 1
ATOM 1515 N N . VAL 92 92 ? A -0.596 2.223 -0.024 1.000 1 A 95.040 1
ATOM 1516 C CA . VAL 92 92 ? A -0.149 3.025 -1.172 1.000 1 A 95.040 1
ATOM 1517 C C . VAL 92 92 ? A 1.367 3.209 -1.162 1.000 1 A 95.040 1
ATOM 1518 O O . VAL 92 92 ? A 2.013 3.006 -2.186 1.000 1 A 95.040 1
ATOM 1519 C CB . VAL 92 92 ? A -0.885 4.376 -1.222 1.000 1 A 95.040 1
ATOM 1520 C CG1 . VAL 92 92 ? A -0.315 5.287 -2.311 1.000 1 A 95.040 1
ATOM 1521 C CG2 . VAL 92 92 ? A -2.372 4.158 -1.522 1.000 1 A 95.040 1
ATOM 1522 H H . VAL 92 92 ? A -1.233 2.640 0.640 1.000 1 A 95.040 1
ATOM 1523 H HA . VAL 92 92 ? A -0.389 2.482 -2.086 1.000 1 A 95.040 1
ATOM 1524 H HB . VAL 92 92 ? A -0.786 4.884 -0.263 1.000 1 A 95.040 1
ATOM 1525 H HG11 . VAL 92 92 ? A -0.955 6.161 -2.428 1.000 1 A 95.040 1
ATOM 1526 H HG12 . VAL 92 92 ? A 0.683 5.627 -2.032 1.000 1 A 95.040 1
ATOM 1527 H HG13 . VAL 92 92 ? A -0.271 4.761 -3.265 1.000 1 A 95.040 1
ATOM 1528 H HG21 . VAL 92 92 ? A -2.873 5.118 -1.646 1.000 1 A 95.040 1
ATOM 1529 H HG22 . VAL 92 92 ? A -2.495 3.589 -2.443 1.000 1 A 95.040 1
ATOM 1530 H HG23 . VAL 92 92 ? A -2.851 3.624 -0.701 1.000 1 A 95.040 1
ATOM 1531 N N . PHE 93 93 ? A 1.972 3.515 -0.012 1.000 1 A 92.960 1
ATOM 1532 C CA . PHE 93 93 ? A 3.428 3.609 0.111 1.000 1 A 92.960 1
ATOM 1533 C C . PHE 93 93 ? A 4.132 2.305 -0.287 1.000 1 A 92.960 1
ATOM 1534 O O . PHE 93 93 ? A 5.109 2.335 -1.038 1.000 1 A 92.960 1
ATOM 1535 C CB . PHE 93 93 ? A 3.782 3.985 1.550 1.000 1 A 92.960 1
ATOM 1536 C CG . PHE 93 93 ? A 5.271 3.983 1.826 1.000 1 A 92.960 1
ATOM 1537 C CD1 . PHE 93 93 ? A 5.836 3.009 2.670 1.000 1 A 92.960 1
ATOM 1538 C CD2 . PHE 93 93 ? A 6.095 4.949 1.222 1.000 1 A 92.960 1
ATOM 1539 C CE1 . PHE 93 93 ? A 7.215 3.027 2.940 1.000 1 A 92.960 1
ATOM 1540 C CE2 . PHE 93 93 ? A 7.470 4.974 1.500 1.000 1 A 92.960 1
ATOM 1541 C CZ . PHE 93 93 ? A 8.031 4.019 2.367 1.000 1 A 92.960 1
ATOM 1542 H H . PHE 93 93 ? A 1.408 3.685 0.809 1.000 1 A 92.960 1
ATOM 1543 H HA . PHE 93 93 ? A 3.789 4.390 -0.557 1.000 1 A 92.960 1
ATOM 1544 H HB2 . PHE 93 93 ? A 3.296 3.289 2.233 1.000 1 A 92.960 1
ATOM 1545 H HB3 . PHE 93 93 ? A 3.384 4.979 1.755 1.000 1 A 92.960 1
ATOM 1546 H HD1 . PHE 93 93 ? A 5.214 2.248 3.117 1.000 1 A 92.960 1
ATOM 1547 H HD2 . PHE 93 93 ? A 5.668 5.684 0.556 1.000 1 A 92.960 1
ATOM 1548 H HE1 . PHE 93 93 ? A 7.637 2.284 3.600 1.000 1 A 92.960 1
ATOM 1549 H HE2 . PHE 93 93 ? A 8.088 5.733 1.044 1.000 1 A 92.960 1
ATOM 1550 H HZ . PHE 93 93 ? A 9.086 4.045 2.593 1.000 1 A 92.960 1
ATOM 1551 N N . SER 94 94 ? A 3.607 1.164 0.167 1.000 1 A 96.920 1
ATOM 1552 C CA . SER 94 94 ? A 4.131 -0.161 -0.176 1.000 1 A 96.920 1
ATOM 1553 C C . SER 94 94 ? A 4.057 -0.421 -1.680 1.000 1 A 96.920 1
ATOM 1554 O O . SER 94 94 ? A 5.039 -0.861 -2.279 1.000 1 A 96.920 1
ATOM 1555 C CB . SER 94 94 ? A 3.360 -1.257 0.569 1.000 1 A 96.920 1
ATOM 1556 O OG . SER 94 94 ? A 3.381 -1.045 1.967 1.000 1 A 96.920 1
ATOM 1557 H H . SER 94 94 ? A 2.799 1.219 0.770 1.000 1 A 96.920 1
ATOM 1558 H HA . SER 94 94 ? A 5.182 -0.212 0.109 1.000 1 A 96.920 1
ATOM 1559 H HB2 . SER 94 94 ? A 3.824 -2.219 0.354 1.000 1 A 96.920 1
ATOM 1560 H HB3 . SER 94 94 ? A 2.326 -1.285 0.227 1.000 1 A 96.920 1
ATOM 1561 H HG . SER 94 94 ? A 2.774 -0.331 2.178 1.000 1 A 96.920 1
ATOM 1562 N N . ALA 95 95 ? A 2.928 -0.087 -2.307 1.000 1 A 97.290 1
ATOM 1563 C CA . ALA 95 95 ? A 2.730 -0.234 -3.744 1.000 1 A 97.290 1
ATOM 1564 C C . ALA 95 95 ? A 3.683 0.658 -4.558 1.000 1 A 97.290 1
ATOM 1565 O O . ALA 95 95 ? A 4.315 0.186 -5.502 1.000 1 A 97.290 1
ATOM 1566 C CB . ALA 95 95 ? A 1.259 0.055 -4.046 1.000 1 A 97.290 1
ATOM 1567 H H . ALA 95 95 ? A 2.155 0.266 -1.761 1.000 1 A 97.290 1
ATOM 1568 H HA . ALA 95 95 ? A 2.940 -1.267 -4.022 1.000 1 A 97.290 1
ATOM 1569 H HB1 . ALA 95 95 ? A 0.618 -0.571 -3.426 1.000 1 A 97.290 1
ATOM 1570 H HB2 . ALA 95 95 ? A 1.056 -0.173 -5.093 1.000 1 A 97.290 1
ATOM 1571 H HB3 . ALA 95 95 ? A 1.030 1.105 -3.859 1.000 1 A 97.290 1
ATOM 1572 N N . LYS 96 96 ? A 3.873 1.920 -4.151 1.000 1 A 94.090 1
ATOM 1573 C CA . LYS 96 96 ? A 4.813 2.853 -4.798 1.000 1 A 94.090 1
ATOM 1574 C C . LYS 96 96 ? A 6.267 2.403 -4.671 1.000 1 A 94.090 1
ATOM 1575 O O . LYS 96 96 ? A 7.013 2.507 -5.640 1.000 1 A 94.090 1
ATOM 1576 C CB . LYS 96 96 ? A 4.651 4.259 -4.209 1.000 1 A 94.090 1
ATOM 1577 C CG . LYS 96 96 ? A 3.300 4.892 -4.567 1.000 1 A 94.090 1
ATOM 1578 C CD . LYS 96 96 ? A 3.136 6.241 -3.856 1.000 1 A 94.090 1
ATOM 1579 C CE . LYS 96 96 ? A 3.673 7.396 -4.703 1.000 1 A 94.090 1
ATOM 1580 N NZ . LYS 96 96 ? A 2.680 7.718 -5.744 1.000 1 A 94.090 1
ATOM 1581 H H . LYS 96 96 ? A 3.303 2.255 -3.388 1.000 1 A 94.090 1
ATOM 1582 H HA . LYS 96 96 ? A 4.595 2.889 -5.865 1.000 1 A 94.090 1
ATOM 1583 H HB2 . LYS 96 96 ? A 4.753 4.199 -3.125 1.000 1 A 94.090 1
ATOM 1584 H HB3 . LYS 96 96 ? A 5.445 4.898 -4.595 1.000 1 A 94.090 1
ATOM 1585 H HG2 . LYS 96 96 ? A 2.484 4.236 -4.261 1.000 1 A 94.090 1
ATOM 1586 H HG3 . LYS 96 96 ? A 3.228 5.017 -5.648 1.000 1 A 94.090 1
ATOM 1587 H HD2 . LYS 96 96 ? A 2.077 6.412 -3.665 1.000 1 A 94.090 1
ATOM 1588 H HD3 . LYS 96 96 ? A 3.640 6.216 -2.890 1.000 1 A 94.090 1
ATOM 1589 H HE2 . LYS 96 96 ? A 3.820 8.267 -4.064 1.000 1 A 94.090 1
ATOM 1590 H HE3 . LYS 96 96 ? A 4.627 7.120 -5.151 1.000 1 A 94.090 1
ATOM 1591 H HZ1 . LYS 96 96 ? A 2.893 8.547 -6.280 1.000 1 A 94.090 1
ATOM 1592 H HZ2 . LYS 96 96 ? A 2.487 6.941 -6.361 1.000 1 A 94.090 1
ATOM 1593 H HZ3 . LYS 96 96 ? A 1.753 7.835 -5.359 1.000 1 A 94.090 1
ATOM 1594 N N . MET 97 97 ? A 6.676 1.888 -3.509 1.000 1 A 94.360 1
ATOM 1595 C CA . MET 97 97 ? A 8.031 1.357 -3.327 1.000 1 A 94.360 1
ATOM 1596 C C . MET 97 97 ? A 8.254 0.093 -4.170 1.000 1 A 94.360 1
ATOM 1597 O O . MET 97 97 ? A 9.293 -0.033 -4.812 1.000 1 A 94.360 1
ATOM 1598 C CB . MET 97 97 ? A 8.309 1.115 -1.836 1.000 1 A 94.360 1
ATOM 1599 C CG . MET 97 97 ? A 9.781 0.743 -1.613 1.000 1 A 94.360 1
ATOM 1600 S SD . MET 97 97 ? A 10.263 0.436 0.110 1.000 1 A 94.360 1
ATOM 1601 C CE . MET 97 97 ? A 10.397 2.134 0.709 1.000 1 A 94.360 1
ATOM 1602 H H . MET 97 97 ? A 6.027 1.859 -2.736 1.000 1 A 94.360 1
ATOM 1603 H HA . MET 97 97 ? A 8.741 2.103 -3.682 1.000 1 A 94.360 1
ATOM 1604 H HB2 . MET 97 97 ? A 7.666 0.319 -1.461 1.000 1 A 94.360 1
ATOM 1605 H HB3 . MET 97 97 ? A 8.087 2.027 -1.280 1.000 1 A 94.360 1
ATOM 1606 H HG2 . MET 97 97 ? A 10.402 1.545 -2.013 1.000 1 A 94.360 1
ATOM 1607 H HG3 . MET 97 97 ? A 10.005 -0.160 -2.181 1.000 1 A 94.360 1
ATOM 1608 H HE1 . MET 97 97 ? A 11.200 2.644 0.176 1.000 1 A 94.360 1
ATOM 1609 H HE2 . MET 97 97 ? A 10.622 2.126 1.776 1.000 1 A 94.360 1
ATOM 1610 H HE3 . MET 97 97 ? A 9.452 2.649 0.538 1.000 1 A 94.360 1
ATOM 1611 N N . ALA 98 98 ? A 7.270 -0.811 -4.234 1.000 1 A 96.940 1
ATOM 1612 C CA . ALA 98 98 ? A 7.338 -1.991 -5.097 1.000 1 A 96.940 1
ATOM 1613 C C . ALA 98 98 ? A 7.406 -1.598 -6.582 1.000 1 A 96.940 1
ATOM 1614 O O . ALA 98 98 ? A 8.220 -2.145 -7.325 1.000 1 A 96.940 1
ATOM 1615 C CB . ALA 98 98 ? A 6.134 -2.892 -4.803 1.000 1 A 96.940 1
ATOM 1616 H H . ALA 98 98 ? A 6.439 -0.679 -3.675 1.000 1 A 96.940 1
ATOM 1617 H HA . ALA 98 98 ? A 8.248 -2.545 -4.866 1.000 1 A 96.940 1
ATOM 1618 H HB1 . ALA 98 98 ? A 6.128 -3.179 -3.751 1.000 1 A 96.940 1
ATOM 1619 H HB2 . ALA 98 98 ? A 6.193 -3.794 -5.412 1.000 1 A 96.940 1
ATOM 1620 H HB3 . ALA 98 98 ? A 5.206 -2.368 -5.035 1.000 1 A 96.940 1
ATOM 1621 N N . LYS 99 99 ? A 6.614 -0.601 -6.999 1.000 1 A 95.660 1
ATOM 1622 C CA . LYS 99 99 ? A 6.638 -0.050 -8.358 1.000 1 A 95.660 1
ATOM 1623 C C . LYS 99 99 ? A 7.997 0.551 -8.707 1.000 1 A 95.660 1
ATOM 1624 O O . LYS 99 99 ? A 8.519 0.259 -9.773 1.000 1 A 95.660 1
ATOM 1625 C CB . LYS 99 99 ? A 5.499 0.973 -8.513 1.000 1 A 95.660 1
ATOM 1626 C CG . LYS 99 99 ? A 5.353 1.566 -9.923 1.000 1 A 95.660 1
ATOM 1627 C CD . LYS 99 99 ? A 5.203 0.487 -11.001 1.000 1 A 95.660 1
ATOM 1628 C CE . LYS 99 99 ? A 4.876 1.122 -12.350 1.000 1 A 95.660 1
ATOM 1629 N NZ . LYS 99 99 ? A 5.225 0.196 -13.447 1.000 1 A 95.660 1
ATOM 1630 H H . LYS 99 99 ? A 5.926 -0.243 -6.352 1.000 1 A 95.660 1
ATOM 1631 H HA . LYS 99 99 ? A 6.482 -0.875 -9.053 1.000 1 A 95.660 1
ATOM 1632 H HB2 . LYS 99 99 ? A 5.655 1.795 -7.814 1.000 1 A 95.660 1
ATOM 1633 H HB3 . LYS 99 99 ? A 4.557 0.491 -8.250 1.000 1 A 95.660 1
ATOM 1634 H HG2 . LYS 99 99 ? A 4.470 2.205 -9.934 1.000 1 A 95.660 1
ATOM 1635 H HG3 . LYS 99 99 ? A 6.222 2.184 -10.148 1.000 1 A 95.660 1
ATOM 1636 H HD2 . LYS 99 99 ? A 4.405 -0.202 -10.725 1.000 1 A 95.660 1
ATOM 1637 H HD3 . LYS 99 99 ? A 6.144 -0.055 -11.089 1.000 1 A 95.660 1
ATOM 1638 H HE2 . LYS 99 99 ? A 5.477 2.025 -12.453 1.000 1 A 95.660 1
ATOM 1639 H HE3 . LYS 99 99 ? A 3.820 1.392 -12.376 1.000 1 A 95.660 1
ATOM 1640 H HZ1 . LYS 99 99 ? A 6.231 0.114 -13.441 1.000 1 A 95.660 1
ATOM 1641 H HZ2 . LYS 99 99 ? A 4.996 0.590 -14.348 1.000 1 A 95.660 1
ATOM 1642 H HZ3 . LYS 99 99 ? A 4.826 -0.722 -13.311 1.000 1 A 95.660 1
ATOM 1643 N N . TYR 100 100 ? A 8.608 1.300 -7.788 1.000 1 A 93.280 1
ATOM 1644 C CA . TYR 100 100 ? A 9.969 1.809 -7.965 1.000 1 A 93.280 1
ATOM 1645 C C . TYR 100 100 ? A 10.981 0.676 -8.198 1.000 1 A 93.280 1
ATOM 1646 O O . TYR 100 100 ? A 11.785 0.759 -9.121 1.000 1 A 93.280 1
ATOM 1647 C CB . TYR 100 100 ? A 10.358 2.660 -6.749 1.000 1 A 93.280 1
ATOM 1648 C CG . TYR 100 100 ? A 11.802 3.120 -6.775 1.000 1 A 93.280 1
ATOM 1649 C CD1 . TYR 100 100 ? A 12.813 2.278 -6.267 1.000 1 A 93.280 1
ATOM 1650 C CD2 . TYR 100 100 ? A 12.141 4.360 -7.352 1.000 1 A 93.280 1
ATOM 1651 C CE1 . TYR 100 100 ? A 14.163 2.659 -6.368 1.000 1 A 93.280 1
ATOM 1652 C CE2 . TYR 100 100 ? A 13.490 4.761 -7.417 1.000 1 A 93.280 1
ATOM 1653 C CZ . TYR 100 100 ? A 14.503 3.899 -6.938 1.000 1 A 93.280 1
ATOM 1654 O OH . TYR 100 100 ? A 15.811 4.254 -6.994 1.000 1 A 93.280 1
ATOM 1655 H H . TYR 100 100 ? A 8.106 1.533 -6.943 1.000 1 A 93.280 1
ATOM 1656 H HA . TYR 100 100 ? A 9.994 2.443 -8.851 1.000 1 A 93.280 1
ATOM 1657 H HB2 . TYR 100 100 ? A 10.199 2.089 -5.834 1.000 1 A 93.280 1
ATOM 1658 H HB3 . TYR 100 100 ? A 9.703 3.530 -6.712 1.000 1 A 93.280 1
ATOM 1659 H HD1 . TYR 100 100 ? A 12.555 1.320 -5.840 1.000 1 A 93.280 1
ATOM 1660 H HD2 . TYR 100 100 ? A 11.368 4.991 -7.764 1.000 1 A 93.280 1
ATOM 1661 H HE1 . TYR 100 100 ? A 14.952 2.000 -6.038 1.000 1 A 93.280 1
ATOM 1662 H HE2 . TYR 100 100 ? A 13.757 5.706 -7.866 1.000 1 A 93.280 1
ATOM 1663 H HH . TYR 100 100 ? A 15.908 5.184 -7.215 1.000 1 A 93.280 1
ATOM 1664 N N . CYS 101 101 ? A 10.931 -0.397 -7.400 1.000 1 A 94.670 1
ATOM 1665 C CA . CYS 101 101 ? A 11.803 -1.562 -7.582 1.000 1 A 94.670 1
ATOM 1666 C C . CYS 101 101 ? A 11.600 -2.236 -8.949 1.000 1 A 94.670 1
ATOM 1667 O O . CYS 101 101 ? A 12.577 -2.554 -9.633 1.000 1 A 94.670 1
ATOM 1668 C CB . CYS 101 101 ? A 11.545 -2.552 -6.437 1.000 1 A 94.670 1
ATOM 1669 S SG . CYS 101 101 ? A 12.204 -1.895 -4.878 1.000 1 A 94.670 1
ATOM 1670 H H . CYS 101 101 ? A 10.272 -0.405 -6.634 1.000 1 A 94.670 1
ATOM 1671 H HA . CYS 101 101 ? A 12.843 -1.240 -7.554 1.000 1 A 94.670 1
ATOM 1672 H HB2 . CYS 101 101 ? A 10.474 -2.733 -6.341 1.000 1 A 94.670 1
ATOM 1673 H HB3 . CYS 101 101 ? A 12.029 -3.501 -6.666 1.000 1 A 94.670 1
ATOM 1674 H HG . CYS 101 101 ? A 13.463 -2.275 -5.109 1.000 1 A 94.670 1
ATOM 1675 N N . LYS 102 102 ? A 10.336 -2.391 -9.365 1.000 1 A 94.940 1
ATOM 1676 C CA . LYS 102 102 ? A 9.964 -2.945 -10.670 1.000 1 A 94.940 1
ATOM 1677 C C . LYS 102 102 ? A 10.510 -2.093 -11.817 1.000 1 A 94.940 1
ATOM 1678 O O . LYS 102 102 ? A 11.181 -2.617 -12.696 1.000 1 A 94.940 1
ATOM 1679 C CB . LYS 102 102 ? A 8.431 -3.067 -10.752 1.000 1 A 94.940 1
ATOM 1680 C CG . LYS 102 102 ? A 7.953 -3.931 -11.930 1.000 1 A 94.940 1
ATOM 1681 C CD . LYS 102 102 ? A 8.063 -5.423 -11.595 1.000 1 A 94.940 1
ATOM 1682 C CE . LYS 102 102 ? A 7.546 -6.300 -12.738 1.000 1 A 94.940 1
ATOM 1683 N NZ . LYS 102 102 ? A 7.249 -7.664 -12.238 1.000 1 A 94.940 1
ATOM 1684 H H . LYS 102 102 ? A 9.595 -2.118 -8.735 1.000 1 A 94.940 1
ATOM 1685 H HA . LYS 102 102 ? A 10.418 -3.932 -10.764 1.000 1 A 94.940 1
ATOM 1686 H HB2 . LYS 102 102 ? A 8.000 -2.072 -10.863 1.000 1 A 94.940 1
ATOM 1687 H HB3 . LYS 102 102 ? A 8.046 -3.488 -9.824 1.000 1 A 94.940 1
ATOM 1688 H HG2 . LYS 102 102 ? A 8.525 -3.704 -12.830 1.000 1 A 94.940 1
ATOM 1689 H HG3 . LYS 102 102 ? A 6.905 -3.700 -12.121 1.000 1 A 94.940 1
ATOM 1690 H HD2 . LYS 102 102 ? A 9.099 -5.687 -11.382 1.000 1 A 94.940 1
ATOM 1691 H HD3 . LYS 102 102 ? A 7.467 -5.617 -10.703 1.000 1 A 94.940 1
ATOM 1692 H HE2 . LYS 102 102 ? A 6.634 -5.863 -13.144 1.000 1 A 94.940 1
ATOM 1693 H HE3 . LYS 102 102 ? A 8.303 -6.331 -13.522 1.000 1 A 94.940 1
ATOM 1694 H HZ1 . LYS 102 102 ? A 7.154 -8.336 -12.986 1.000 1 A 94.940 1
ATOM 1695 H HZ2 . LYS 102 102 ? A 6.344 -7.675 -11.788 1.000 1 A 94.940 1
ATOM 1696 H HZ3 . LYS 102 102 ? A 7.930 -7.968 -11.556 1.000 1 A 94.940 1
ATOM 1697 N N . ASP 103 103 ? A 10.273 -0.784 -11.781 1.000 1 A 94.140 1
ATOM 1698 C CA . ASP 103 103 ? A 10.670 0.146 -12.845 1.000 1 A 94.140 1
ATOM 1699 C C . ASP 103 103 ? A 12.196 0.324 -12.919 1.000 1 A 94.140 1
ATOM 1700 O O . ASP 103 103 ? A 12.753 0.507 -14.000 1.000 1 A 94.140 1
ATOM 1701 C CB . ASP 103 103 ? A 9.965 1.498 -12.635 1.000 1 A 94.140 1
ATOM 1702 C CG . ASP 103 103 ? A 8.439 1.444 -12.814 1.000 1 A 94.140 1
ATOM 1703 O OD1 . ASP 103 103 ? A 7.906 0.465 -13.394 1.000 1 A 94.140 1
ATOM 1704 O OD2 . ASP 103 103 ? A 7.753 2.397 -12.384 1.000 1 A 94.140 1
ATOM 1705 H H . ASP 103 103 ? A 9.698 -0.427 -11.031 1.000 1 A 94.140 1
ATOM 1706 H HA . ASP 103 103 ? A 10.351 -0.260 -13.805 1.000 1 A 94.140 1
ATOM 1707 H HB2 . ASP 103 103 ? A 10.198 1.870 -11.637 1.000 1 A 94.140 1
ATOM 1708 H HB3 . ASP 103 103 ? A 10.361 2.210 -13.358 1.000 1 A 94.140 1
ATOM 1709 N N . ALA 104 104 ? A 12.890 0.203 -11.783 1.000 1 A 91.940 1
ATOM 1710 C CA . ALA 104 104 ? A 14.348 0.158 -11.720 1.000 1 A 91.940 1
ATOM 1711 C C . ALA 104 104 ? A 14.943 -1.195 -12.166 1.000 1 A 91.940 1
ATOM 1712 O O . ALA 104 104 ? A 16.166 -1.326 -12.199 1.000 1 A 91.940 1
ATOM 1713 C CB . ALA 104 104 ? A 14.779 0.523 -10.292 1.000 1 A 91.940 1
ATOM 1714 H H . ALA 104 104 ? A 12.376 0.115 -10.918 1.000 1 A 91.940 1
ATOM 1715 H HA . ALA 104 104 ? A 14.743 0.914 -12.398 1.000 1 A 91.940 1
ATOM 1716 H HB1 . ALA 104 104 ? A 14.371 1.496 -10.020 1.000 1 A 91.940 1
ATOM 1717 H HB2 . ALA 104 104 ? A 14.414 -0.228 -9.593 1.000 1 A 91.940 1
ATOM 1718 H HB3 . ALA 104 104 ? A 15.867 0.567 -10.236 1.000 1 A 91.940 1
ATOM 1719 N N . ASN 105 105 ? A 14.111 -2.200 -12.481 1.000 1 A 91.700 1
ATOM 1720 C CA . ASN 105 105 ? A 14.509 -3.572 -12.818 1.000 1 A 91.700 1
ATOM 1721 C C . ASN 105 105 ? A 15.494 -4.192 -11.809 1.000 1 A 91.700 1
ATOM 1722 O O . ASN 105 105 ? A 16.390 -4.947 -12.181 1.000 1 A 91.700 1
ATOM 1723 C CB . ASN 105 105 ? A 15.000 -3.648 -14.275 1.000 1 A 91.700 1
ATOM 1724 C CG . ASN 105 105 ? A 13.901 -3.357 -15.273 1.000 1 A 91.700 1
ATOM 1725 O OD1 . ASN 105 105 ? A 12.881 -4.018 -15.322 1.000 1 A 91.700 1
ATOM 1726 N ND2 . ASN 105 105 ? A 14.079 -2.370 -16.119 1.000 1 A 91.700 1
ATOM 1727 H H . ASN 105 105 ? A 13.119 -2.013 -12.464 1.000 1 A 91.700 1
ATOM 1728 H HA . ASN 105 105 ? A 13.609 -4.184 -12.753 1.000 1 A 91.700 1
ATOM 1729 H HB2 . ASN 105 105 ? A 15.835 -2.962 -14.414 1.000 1 A 91.700 1
ATOM 1730 H HB3 . ASN 105 105 ? A 15.354 -4.657 -14.485 1.000 1 A 91.700 1
ATOM 1731 H HD21 . ASN 105 105 ? A 14.861 -1.744 -15.994 1.000 1 A 91.700 1
ATOM 1732 H HD22 . ASN 105 105 ? A 13.275 -2.140 -16.685 1.000 1 A 91.700 1
ATOM 1733 N N . ASN 106 106 ? A 15.351 -3.870 -10.519 1.000 1 A 91.870 1
ATOM 1734 C CA . ASN 106 106 ? A 16.244 -4.390 -9.479 1.000 1 A 91.870 1
ATOM 1735 C C . ASN 106 106 ? A 15.744 -5.704 -8.850 1.000 1 A 91.870 1
ATOM 1736 O O . ASN 106 106 ? A 16.436 -6.273 -8.010 1.000 1 A 91.870 1
ATOM 1737 C CB . ASN 106 106 ? A 16.576 -3.276 -8.469 1.000 1 A 91.870 1
ATOM 1738 C CG . ASN 106 106 ? A 15.406 -2.813 -7.624 1.000 1 A 91.870 1
ATOM 1739 O OD1 . ASN 106 106 ? A 14.400 -3.482 -7.454 1.000 1 A 91.870 1
ATOM 1740 N ND2 . ASN 106 106 ? A 15.509 -1.652 -7.017 1.000 1 A 91.870 1
ATOM 1741 H H . ASN 106 106 ? A 14.583 -3.269 -10.256 1.000 1 A 91.870 1
ATOM 1742 H HA . ASN 106 106 ? A 17.190 -4.654 -9.952 1.000 1 A 91.870 1
ATOM 1743 H HB2 . ASN 106 106 ? A 16.971 -2.421 -9.017 1.000 1 A 91.870 1
ATOM 1744 H HB3 . ASN 106 106 ? A 17.355 -3.633 -7.794 1.000 1 A 91.870 1
ATOM 1745 H HD21 . ASN 106 106 ? A 14.705 -1.314 -6.509 1.000 1 A 91.870 1
ATOM 1746 H HD22 . ASN 106 106 ? A 16.365 -1.117 -7.061 1.000 1 A 91.870 1
ATOM 1747 N N . HIS 107 107 ? A 14.568 -6.194 -9.262 1.000 1 A 93.840 1
ATOM 1748 C CA . HIS 107 107 ? A 13.940 -7.433 -8.782 1.000 1 A 93.840 1
ATOM 1749 C C . HIS 107 107 ? A 13.682 -7.472 -7.264 1.000 1 A 93.840 1
ATOM 1750 O O . HIS 107 107 ? A 13.596 -8.542 -6.654 1.000 1 A 93.840 1
ATOM 1751 C CB . HIS 107 107 ? A 14.703 -8.657 -9.305 1.000 1 A 93.840 1
ATOM 1752 C CG . HIS 107 107 ? A 14.800 -8.681 -10.806 1.000 1 A 93.840 1
ATOM 1753 N ND1 . HIS 107 107 ? A 13.743 -8.816 -11.676 1.000 1 A 93.840 1
ATOM 1754 C CD2 . HIS 107 107 ? A 15.935 -8.549 -11.559 1.000 1 A 93.840 1
ATOM 1755 C CE1 . HIS 107 107 ? A 14.233 -8.782 -12.926 1.000 1 A 93.840 1
ATOM 1756 N NE2 . HIS 107 107 ? A 15.566 -8.636 -12.905 1.000 1 A 93.840 1
ATOM 1757 H H . HIS 107 107 ? A 14.062 -5.664 -9.958 1.000 1 A 93.840 1
ATOM 1758 H HA . HIS 107 107 ? A 12.954 -7.475 -9.243 1.000 1 A 93.840 1
ATOM 1759 H HB2 . HIS 107 107 ? A 14.184 -9.562 -8.989 1.000 1 A 93.840 1
ATOM 1760 H HB3 . HIS 107 107 ? A 15.705 -8.678 -8.876 1.000 1 A 93.840 1
ATOM 1761 H HD1 . HIS 107 107 ? A 12.767 -8.864 -11.419 1.000 1 A 93.840 1
ATOM 1762 H HD2 . HIS 107 107 ? A 16.936 -8.403 -11.181 1.000 1 A 93.840 1
ATOM 1763 H HE1 . HIS 107 107 ? A 13.641 -8.844 -13.827 1.000 1 A 93.840 1
ATOM 1764 N N . LEU 108 108 ? A 13.572 -6.302 -6.627 1.000 1 A 96.190 1
ATOM 1765 C CA . LEU 108 108 ? A 13.345 -6.189 -5.190 1.000 1 A 96.190 1
ATOM 1766 C C . LEU 108 108 ? A 11.867 -5.977 -4.810 1.000 1 A 96.190 1
ATOM 1767 O O . LEU 108 108 ? A 11.555 -5.849 -3.624 1.000 1 A 96.190 1
ATOM 1768 C CB . LEU 108 108 ? A 14.242 -5.103 -4.593 1.000 1 A 96.190 1
ATOM 1769 C CG . LEU 108 108 ? A 15.763 -5.216 -4.785 1.000 1 A 96.190 1
ATOM 1770 C CD1 . LEU 108 108 ? A 16.473 -3.969 -4.246 1.000 1 A 96.190 1
ATOM 1771 C CD2 . LEU 108 108 ? A 16.320 -6.427 -4.034 1.000 1 A 96.190 1
ATOM 1772 H H . LEU 108 108 ? A 13.680 -5.458 -7.171 1.000 1 A 96.190 1
ATOM 1773 H HA . LEU 108 108 ? A 13.632 -7.131 -4.723 1.000 1 A 96.190 1
ATOM 1774 H HB2 . LEU 108 108 ? A 14.058 -5.166 -3.521 1.000 1 A 96.190 1
ATOM 1775 H HB3 . LEU 108 108 ? A 13.908 -4.136 -4.968 1.000 1 A 96.190 1
ATOM 1776 H HG . LEU 108 108 ? A 15.996 -5.296 -5.846 1.000 1 A 96.190 1
ATOM 1777 H HD11 . LEU 108 108 ? A 16.046 -3.076 -4.702 1.000 1 A 96.190 1
ATOM 1778 H HD12 . LEU 108 108 ? A 16.376 -3.907 -3.162 1.000 1 A 96.190 1
ATOM 1779 H HD13 . LEU 108 108 ? A 17.528 -4.018 -4.515 1.000 1 A 96.190 1
ATOM 1780 H HD21 . LEU 108 108 ? A 16.057 -6.377 -2.978 1.000 1 A 96.190 1
ATOM 1781 H HD22 . LEU 108 108 ? A 17.404 -6.453 -4.148 1.000 1 A 96.190 1
ATOM 1782 H HD23 . LEU 108 108 ? A 15.915 -7.339 -4.472 1.000 1 A 96.190 1
ATOM 1783 N N . GLU 109 109 ? A 10.934 -5.981 -5.764 1.000 1 A 96.380 1
ATOM 1784 C CA . GLU 109 109 ? A 9.495 -5.824 -5.512 1.000 1 A 96.380 1
ATOM 1785 C C . GLU 109 109 ? A 8.958 -6.892 -4.545 1.000 1 A 96.380 1
ATOM 1786 O O . GLU 109 109 ? A 8.191 -6.587 -3.630 1.000 1 A 96.380 1
ATOM 1787 C CB . GLU 109 109 ? A 8.693 -5.793 -6.833 1.000 1 A 96.380 1
ATOM 1788 C CG . GLU 109 109 ? A 8.676 -7.068 -7.710 1.000 1 A 96.380 1
ATOM 1789 C CD . GLU 109 109 ? A 9.857 -7.206 -8.686 1.000 1 A 96.380 1
ATOM 1790 O OE1 . GLU 109 109 ? A 9.691 -7.907 -9.710 1.000 1 A 96.380 1
ATOM 1791 O OE2 . GLU 109 109 ? A 10.923 -6.611 -8.411 1.000 1 A 96.380 1
ATOM 1792 H H . GLU 109 109 ? A 11.222 -6.122 -6.722 1.000 1 A 96.380 1
ATOM 1793 H HA . GLU 109 109 ? A 9.346 -4.860 -5.025 1.000 1 A 96.380 1
ATOM 1794 H HB2 . GLU 109 109 ? A 9.033 -4.950 -7.435 1.000 1 A 96.380 1
ATOM 1795 H HB3 . GLU 109 109 ? A 7.659 -5.579 -6.561 1.000 1 A 96.380 1
ATOM 1796 H HG2 . GLU 109 109 ? A 8.605 -7.960 -7.088 1.000 1 A 96.380 1
ATOM 1797 H HG3 . GLU 109 109 ? A 7.763 -7.029 -8.304 1.000 1 A 96.380 1
ATOM 1798 N N . SER 110 110 ? A 9.450 -8.129 -4.658 1.000 1 A 96.960 1
ATOM 1799 C CA . SER 110 110 ? A 9.106 -9.240 -3.763 1.000 1 A 96.960 1
ATOM 1800 C C . SER 110 110 ? A 9.569 -8.992 -2.323 1.000 1 A 96.960 1
ATOM 1801 O O . SER 110 110 ? A 8.884 -9.366 -1.366 1.000 1 A 96.960 1
ATOM 1802 C CB . SER 110 110 ? A 9.736 -10.529 -4.298 1.000 1 A 96.960 1
ATOM 1803 O OG . SER 110 110 ? A 11.149 -10.414 -4.292 1.000 1 A 96.960 1
ATOM 1804 H H . SER 110 110 ? A 10.100 -8.302 -5.411 1.000 1 A 96.960 1
ATOM 1805 H HA . SER 110 110 ? A 8.023 -9.363 -3.753 1.000 1 A 96.960 1
ATOM 1806 H HB2 . SER 110 110 ? A 9.387 -10.707 -5.316 1.000 1 A 96.960 1
ATOM 1807 H HB3 . SER 110 110 ? A 9.437 -11.369 -3.671 1.000 1 A 96.960 1
ATOM 1808 H HG . SER 110 110 ? A 11.493 -10.661 -5.154 1.000 1 A 96.960 1
ATOM 1809 N N . THR 111 111 ? A 10.701 -8.301 -2.154 1.000 1 A 97.560 1
ATOM 1810 C CA . THR 111 111 ? A 11.218 -7.896 -0.843 1.000 1 A 97.560 1
ATOM 1811 C C . THR 111 111 ? A 10.325 -6.832 -0.221 1.000 1 A 97.560 1
ATOM 1812 O O . THR 111 111 ? A 10.039 -6.913 0.976 1.000 1 A 97.560 1
ATOM 1813 C CB . THR 111 111 ? A 12.658 -7.376 -0.945 1.000 1 A 97.560 1
ATOM 1814 O OG1 . THR 111 111 ? A 13.496 -8.414 -1.392 1.000 1 A 97.560 1
ATOM 1815 C CG2 . THR 111 111 ? A 13.218 -6.928 0.404 1.000 1 A 97.560 1
ATOM 1816 H H . THR 111 111 ? A 11.162 -7.965 -2.988 1.000 1 A 97.560 1
ATOM 1817 H HA . THR 111 111 ? A 11.216 -8.761 -0.180 1.000 1 A 97.560 1
ATOM 1818 H HB . THR 111 111 ? A 12.714 -6.536 -1.637 1.000 1 A 97.560 1
ATOM 1819 H HG1 . THR 111 111 ? A 13.178 -8.716 -2.246 1.000 1 A 97.560 1
ATOM 1820 H HG21 . THR 111 111 ? A 12.636 -6.102 0.812 1.000 1 A 97.560 1
ATOM 1821 H HG22 . THR 111 111 ? A 14.237 -6.572 0.252 1.000 1 A 97.560 1
ATOM 1822 H HG23 . THR 111 111 ? A 13.210 -7.763 1.105 1.000 1 A 97.560 1
ATOM 1823 N N . VAL 112 112 ? A 9.843 -5.867 -1.011 1.000 1 A 97.660 1
ATOM 1824 C CA . VAL 112 112 ? A 8.877 -4.863 -0.542 1.000 1 A 97.660 1
ATOM 1825 C C . VAL 112 112 ? A 7.586 -5.544 -0.096 1.000 1 A 97.660 1
ATOM 1826 O O . VAL 112 112 ? A 7.166 -5.342 1.042 1.000 1 A 97.660 1
ATOM 1827 C CB . VAL 112 112 ? A 8.575 -3.797 -1.613 1.000 1 A 97.660 1
ATOM 1828 C CG1 . VAL 112 112 ? A 7.586 -2.758 -1.072 1.000 1 A 97.660 1
ATOM 1829 C CG2 . VAL 112 112 ? A 9.841 -3.055 -2.051 1.000 1 A 97.660 1
ATOM 1830 H H . VAL 112 112 ? A 10.112 -5.860 -1.985 1.000 1 A 97.660 1
ATOM 1831 H HA . VAL 112 112 ? A 9.296 -4.355 0.327 1.000 1 A 97.660 1
ATOM 1832 H HB . VAL 112 112 ? A 8.133 -4.269 -2.490 1.000 1 A 97.660 1
ATOM 1833 H HG11 . VAL 112 112 ? A 6.618 -3.215 -0.866 1.000 1 A 97.660 1
ATOM 1834 H HG12 . VAL 112 112 ? A 7.430 -1.981 -1.820 1.000 1 A 97.660 1
ATOM 1835 H HG13 . VAL 112 112 ? A 7.974 -2.302 -0.162 1.000 1 A 97.660 1
ATOM 1836 H HG21 . VAL 112 112 ? A 10.295 -2.538 -1.206 1.000 1 A 97.660 1
ATOM 1837 H HG22 . VAL 112 112 ? A 9.591 -2.326 -2.822 1.000 1 A 97.660 1
ATOM 1838 H HG23 . VAL 112 112 ? A 10.559 -3.751 -2.486 1.000 1 A 97.660 1
ATOM 1839 N N . ILE 113 113 ? A 7.004 -6.407 -0.938 1.000 1 A 98.280 1
ATOM 1840 C CA . ILE 113 113 ? A 5.759 -7.132 -0.632 1.000 1 A 98.280 1
ATOM 1841 C C . ILE 113 113 ? A 5.914 -7.957 0.647 1.000 1 A 98.280 1
ATOM 1842 O O . ILE 113 113 ? A 5.078 -7.860 1.540 1.000 1 A 98.280 1
ATOM 1843 C CB . ILE 113 113 ? A 5.330 -8.015 -1.829 1.000 1 A 98.280 1
ATOM 1844 C CG1 . ILE 113 113 ? A 4.917 -7.132 -3.027 1.000 1 A 98.280 1
ATOM 1845 C CG2 . ILE 113 113 ? A 4.150 -8.934 -1.449 1.000 1 A 98.280 1
ATOM 1846 C CD1 . ILE 113 113 ? A 4.813 -7.889 -4.357 1.000 1 A 98.280 1
ATOM 1847 H H . ILE 113 113 ? A 7.406 -6.516 -1.858 1.000 1 A 98.280 1
ATOM 1848 H HA . ILE 113 113 ? A 4.970 -6.403 -0.447 1.000 1 A 98.280 1
ATOM 1849 H HB . ILE 113 113 ? A 6.175 -8.638 -2.122 1.000 1 A 98.280 1
ATOM 1850 H HG12 . ILE 113 113 ? A 5.639 -6.327 -3.167 1.000 1 A 98.280 1
ATOM 1851 H HG13 . ILE 113 113 ? A 3.951 -6.676 -2.808 1.000 1 A 98.280 1
ATOM 1852 H HG21 . ILE 113 113 ? A 4.437 -9.634 -0.664 1.000 1 A 98.280 1
ATOM 1853 H HG22 . ILE 113 113 ? A 3.839 -9.530 -2.307 1.000 1 A 98.280 1
ATOM 1854 H HG23 . ILE 113 113 ? A 3.305 -8.337 -1.105 1.000 1 A 98.280 1
ATOM 1855 H HD11 . ILE 113 113 ? A 3.995 -8.608 -4.333 1.000 1 A 98.280 1
ATOM 1856 H HD12 . ILE 113 113 ? A 5.751 -8.404 -4.566 1.000 1 A 98.280 1
ATOM 1857 H HD13 . ILE 113 113 ? A 4.621 -7.177 -5.160 1.000 1 A 98.280 1
ATOM 1858 N N . THR 114 114 ? A 7.004 -8.717 0.781 1.000 1 A 98.150 1
ATOM 1859 C CA . THR 114 114 ? A 7.261 -9.545 1.972 1.000 1 A 98.150 1
ATOM 1860 C C . THR 114 114 ? A 7.454 -8.693 3.228 1.000 1 A 98.150 1
ATOM 1861 O O . THR 114 114 ? A 6.949 -9.029 4.299 1.000 1 A 98.150 1
ATOM 1862 C CB . THR 114 114 ? A 8.495 -10.432 1.757 1.000 1 A 98.150 1
ATOM 1863 O OG1 . THR 114 114 ? A 8.324 -11.234 0.615 1.000 1 A 98.150 1
ATOM 1864 C CG2 . THR 114 114 ? A 8.748 -11.382 2.927 1.000 1 A 98.150 1
ATOM 1865 H H . THR 114 114 ? A 7.642 -8.775 0.001 1.000 1 A 98.150 1
ATOM 1866 H HA . THR 114 114 ? A 6.403 -10.195 2.141 1.000 1 A 98.150 1
ATOM 1867 H HB . THR 114 114 ? A 9.375 -9.805 1.613 1.000 1 A 98.150 1
ATOM 1868 H HG1 . THR 114 114 ? A 8.479 -10.688 -0.160 1.000 1 A 98.150 1
ATOM 1869 H HG21 . THR 114 114 ? A 9.051 -10.821 3.810 1.000 1 A 98.150 1
ATOM 1870 H HG22 . THR 114 114 ? A 7.843 -11.949 3.145 1.000 1 A 98.150 1
ATOM 1871 H HG23 . THR 114 114 ? A 9.545 -12.078 2.663 1.000 1 A 98.150 1
ATOM 1872 N N . THR 115 115 ? A 8.162 -7.565 3.116 1.000 1 A 98.130 1
ATOM 1873 C CA . THR 115 115 ? A 8.378 -6.643 4.244 1.000 1 A 98.130 1
ATOM 1874 C C . THR 115 115 ? A 7.059 -6.011 4.689 1.000 1 A 98.130 1
ATOM 1875 O O . THR 115 115 ? A 6.764 -5.990 5.884 1.000 1 A 98.130 1
ATOM 1876 C CB . THR 115 115 ? A 9.409 -5.559 3.887 1.000 1 A 98.130 1
ATOM 1877 O OG1 . THR 115 115 ? A 10.622 -6.165 3.494 1.000 1 A 98.130 1
ATOM 1878 C CG2 . THR 115 115 ? A 9.751 -4.660 5.073 1.000 1 A 98.130 1
ATOM 1879 H H . THR 115 115 ? A 8.519 -7.308 2.207 1.000 1 A 98.130 1
ATOM 1880 H HA . THR 115 115 ? A 8.767 -7.210 5.090 1.000 1 A 98.130 1
ATOM 1881 H HB . THR 115 115 ? A 9.032 -4.945 3.069 1.000 1 A 98.130 1
ATOM 1882 H HG1 . THR 115 115 ? A 10.485 -6.453 2.588 1.000 1 A 98.130 1
ATOM 1883 H HG21 . THR 115 115 ? A 10.177 -5.253 5.883 1.000 1 A 98.130 1
ATOM 1884 H HG22 . THR 115 115 ? A 8.855 -4.156 5.433 1.000 1 A 98.130 1
ATOM 1885 H HG23 . THR 115 115 ? A 10.471 -3.905 4.757 1.000 1 A 98.130 1
ATOM 1886 N N . ALA 116 116 ? A 6.234 -5.564 3.740 1.000 1 A 98.480 1
ATOM 1887 C CA . ALA 116 116 ? A 4.919 -4.998 4.008 1.000 1 A 98.480 1
ATOM 1888 C C . ALA 116 116 ? A 3.960 -6.040 4.606 1.000 1 A 98.480 1
ATOM 1889 O O . ALA 116 116 ? A 3.308 -5.769 5.614 1.000 1 A 98.480 1
ATOM 1890 C CB . ALA 116 116 ? A 4.384 -4.399 2.701 1.000 1 A 98.480 1
ATOM 1891 H H . ALA 116 116 ? A 6.529 -5.611 2.775 1.000 1 A 98.480 1
ATOM 1892 H HA . ALA 116 116 ? A 5.030 -4.196 4.737 1.000 1 A 98.480 1
ATOM 1893 H HB1 . ALA 116 116 ? A 3.465 -3.847 2.898 1.000 1 A 98.480 1
ATOM 1894 H HB2 . ALA 116 116 ? A 4.188 -5.186 1.974 1.000 1 A 98.480 1
ATOM 1895 H HB3 . ALA 116 116 ? A 5.116 -3.709 2.280 1.000 1 A 98.480 1
ATOM 1896 N N . TYR 117 117 ? A 3.927 -7.250 4.042 1.000 1 A 98.540 1
ATOM 1897 C CA . TYR 117 117 ? A 3.135 -8.371 4.549 1.000 1 A 98.540 1
ATOM 1898 C C . TYR 117 117 ? A 3.465 -8.660 6.016 1.000 1 A 98.540 1
ATOM 1899 O O . TYR 117 117 ? A 2.571 -8.690 6.860 1.000 1 A 98.540 1
ATOM 1900 C CB . TYR 117 117 ? A 3.392 -9.607 3.672 1.000 1 A 98.540 1
ATOM 1901 C CG . TYR 117 117 ? A 2.626 -10.840 4.109 1.000 1 A 98.540 1
ATOM 1902 C CD1 . TYR 117 117 ? A 3.094 -11.624 5.183 1.000 1 A 98.540 1
ATOM 1903 C CD2 . TYR 117 117 ? A 1.439 -11.201 3.445 1.000 1 A 98.540 1
ATOM 1904 C CE1 . TYR 117 117 ? A 2.357 -12.738 5.619 1.000 1 A 98.540 1
ATOM 1905 C CE2 . TYR 117 117 ? A 0.695 -12.314 3.879 1.000 1 A 98.540 1
ATOM 1906 C CZ . TYR 117 117 ? A 1.151 -13.077 4.972 1.000 1 A 98.540 1
ATOM 1907 O OH . TYR 117 117 ? A 0.451 -14.166 5.376 1.000 1 A 98.540 1
ATOM 1908 H H . TYR 117 117 ? A 4.459 -7.399 3.197 1.000 1 A 98.540 1
ATOM 1909 H HA . TYR 117 117 ? A 2.076 -8.118 4.493 1.000 1 A 98.540 1
ATOM 1910 H HB2 . TYR 117 117 ? A 3.114 -9.369 2.645 1.000 1 A 98.540 1
ATOM 1911 H HB3 . TYR 117 117 ? A 4.456 -9.843 3.677 1.000 1 A 98.540 1
ATOM 1912 H HD1 . TYR 117 117 ? A 4.028 -11.383 5.668 1.000 1 A 98.540 1
ATOM 1913 H HD2 . TYR 117 117 ? A 1.086 -10.617 2.609 1.000 1 A 98.540 1
ATOM 1914 H HE1 . TYR 117 117 ? A 2.736 -13.344 6.428 1.000 1 A 98.540 1
ATOM 1915 H HE2 . TYR 117 117 ? A -0.224 -12.585 3.381 1.000 1 A 98.540 1
ATOM 1916 H HH . TYR 117 117 ? A 0.849 -14.610 6.129 1.000 1 A 98.540 1
ATOM 1917 N N . ASN 118 118 ? A 4.753 -8.809 6.343 1.000 1 A 97.810 1
ATOM 1918 C CA . ASN 118 118 ? A 5.190 -9.093 7.709 1.000 1 A 97.810 1
ATOM 1919 C C . ASN 118 118 ? A 4.874 -7.934 8.660 1.000 1 A 97.810 1
ATOM 1920 O O . ASN 118 118 ? A 4.431 -8.167 9.785 1.000 1 A 97.810 1
ATOM 1921 C CB . ASN 118 118 ? A 6.692 -9.418 7.697 1.000 1 A 97.810 1
ATOM 1922 C CG . ASN 118 118 ? A 6.994 -10.770 7.078 1.000 1 A 97.810 1
ATOM 1923 O OD1 . ASN 118 118 ? A 6.184 -11.678 7.056 1.000 1 A 97.810 1
ATOM 1924 N ND2 . ASN 118 118 ? A 8.188 -10.961 6.571 1.000 1 A 97.810 1
ATOM 1925 H H . ASN 118 118 ? A 5.442 -8.788 5.604 1.000 1 A 97.810 1
ATOM 1926 H HA . ASN 118 118 ? A 4.646 -9.960 8.084 1.000 1 A 97.810 1
ATOM 1927 H HB2 . ASN 118 118 ? A 7.061 -9.444 8.722 1.000 1 A 97.810 1
ATOM 1928 H HB3 . ASN 118 118 ? A 7.228 -8.638 7.156 1.000 1 A 97.810 1
ATOM 1929 H HD21 . ASN 118 118 ? A 8.841 -10.193 6.512 1.000 1 A 97.810 1
ATOM 1930 H HD22 . ASN 118 118 ? A 8.333 -11.865 6.145 1.000 1 A 97.810 1
ATOM 1931 N N . PHE 119 119 ? A 5.049 -6.686 8.215 1.000 1 A 98.100 1
ATOM 1932 C CA . PHE 119 119 ? A 4.693 -5.528 9.028 1.000 1 A 98.100 1
ATOM 1933 C C . PHE 119 119 ? A 3.191 -5.506 9.338 1.000 1 A 98.100 1
ATOM 1934 O O . PHE 119 119 ? A 2.820 -5.342 10.501 1.000 1 A 98.100 1
ATOM 1935 C CB . PHE 119 119 ? A 5.145 -4.232 8.347 1.000 1 A 98.100 1
ATOM 1936 C CG . PHE 119 119 ? A 4.999 -3.030 9.259 1.000 1 A 98.100 1
ATOM 1937 C CD1 . PHE 119 119 ? A 3.786 -2.318 9.308 1.000 1 A 98.100 1
ATOM 1938 C CD2 . PHE 119 119 ? A 6.062 -2.661 10.107 1.000 1 A 98.100 1
ATOM 1939 C CE1 . PHE 119 119 ? A 3.637 -1.242 10.200 1.000 1 A 98.100 1
ATOM 1940 C CE2 . PHE 119 119 ? A 5.912 -1.584 10.999 1.000 1 A 98.100 1
ATOM 1941 C CZ . PHE 119 119 ? A 4.700 -0.872 11.041 1.000 1 A 98.100 1
ATOM 1942 H H . PHE 119 119 ? A 5.425 -6.538 7.290 1.000 1 A 98.100 1
ATOM 1943 H HA . PHE 119 119 ? A 5.222 -5.609 9.977 1.000 1 A 98.100 1
ATOM 1944 H HB2 . PHE 119 119 ? A 6.192 -4.328 8.062 1.000 1 A 98.100 1
ATOM 1945 H HB3 . PHE 119 119 ? A 4.569 -4.072 7.436 1.000 1 A 98.100 1
ATOM 1946 H HD1 . PHE 119 119 ? A 2.959 -2.602 8.674 1.000 1 A 98.100 1
ATOM 1947 H HD2 . PHE 119 119 ? A 6.991 -3.210 10.086 1.000 1 A 98.100 1
ATOM 1948 H HE1 . PHE 119 119 ? A 2.699 -0.710 10.248 1.000 1 A 98.100 1
ATOM 1949 H HE2 . PHE 119 119 ? A 6.721 -1.302 11.655 1.000 1 A 98.100 1
ATOM 1950 H HZ . PHE 119 119 ? A 4.584 -0.049 11.731 1.000 1 A 98.100 1
ATOM 1951 N N . MET 120 120 ? A 2.335 -5.737 8.337 1.000 1 A 98.210 1
ATOM 1952 C CA . MET 120 120 ? A 0.888 -5.817 8.534 1.000 1 A 98.210 1
ATOM 1953 C C . MET 120 120 ? A 0.517 -6.977 9.462 1.000 1 A 98.210 1
ATOM 1954 O O . MET 120 120 ? A -0.177 -6.736 10.447 1.000 1 A 98.210 1
ATOM 1955 C CB . MET 120 120 ? A 0.159 -5.900 7.182 1.000 1 A 98.210 1
ATOM 1956 C CG . MET 120 120 ? A -1.364 -5.961 7.373 1.000 1 A 98.210 1
ATOM 1957 S SD . MET 120 120 ? A -2.349 -5.894 5.854 1.000 1 A 98.210 1
ATOM 1958 C CE . MET 120 120 ? A -2.251 -4.125 5.481 1.000 1 A 98.210 1
ATOM 1959 H H . MET 120 120 ? A 2.701 -5.881 7.407 1.000 1 A 98.210 1
ATOM 1960 H HA . MET 120 120 ? A 0.572 -4.897 9.026 1.000 1 A 98.210 1
ATOM 1961 H HB2 . MET 120 120 ? A 0.485 -6.785 6.637 1.000 1 A 98.210 1
ATOM 1962 H HB3 . MET 120 120 ? A 0.409 -5.017 6.594 1.000 1 A 98.210 1
ATOM 1963 H HG2 . MET 120 120 ? A -1.614 -6.890 7.885 1.000 1 A 98.210 1
ATOM 1964 H HG3 . MET 120 120 ? A -1.682 -5.137 8.011 1.000 1 A 98.210 1
ATOM 1965 H HE1 . MET 120 120 ? A -2.361 -3.543 6.396 1.000 1 A 98.210 1
ATOM 1966 H HE2 . MET 120 120 ? A -1.293 -3.905 5.009 1.000 1 A 98.210 1
ATOM 1967 H HE3 . MET 120 120 ? A -3.051 -3.853 4.793 1.000 1 A 98.210 1
ATOM 1968 N N . LYS 121 121 ? A 1.027 -8.193 9.211 1.000 1 A 97.470 1
ATOM 1969 C CA . LYS 121 121 ? A 0.759 -9.393 10.027 1.000 1 A 97.470 1
ATOM 1970 C C . LYS 121 121 ? A 1.038 -9.152 11.508 1.000 1 A 97.470 1
ATOM 1971 O O . LYS 121 121 ? A 0.220 -9.516 12.345 1.000 1 A 97.470 1
ATOM 1972 C CB . LYS 121 121 ? A 1.591 -10.591 9.507 1.000 1 A 97.470 1
ATOM 1973 C CG . LYS 121 121 ? A 1.246 -11.922 10.213 1.000 1 A 97.470 1
ATOM 1974 C CD . LYS 121 121 ? A 2.026 -13.124 9.641 1.000 1 A 97.470 1
ATOM 1975 C CE . LYS 121 121 ? A 1.676 -14.442 10.370 1.000 1 A 97.470 1
ATOM 1976 N NZ . LYS 121 121 ? A 2.392 -15.633 9.818 1.000 1 A 97.470 1
ATOM 1977 H H . LYS 121 121 ? A 1.592 -8.303 8.381 1.000 1 A 97.470 1
ATOM 1978 H HA . LYS 121 121 ? A -0.302 -9.635 9.954 1.000 1 A 97.470 1
ATOM 1979 H HB2 . LYS 121 121 ? A 1.421 -10.711 8.437 1.000 1 A 97.470 1
ATOM 1980 H HB3 . LYS 121 121 ? A 2.651 -10.380 9.650 1.000 1 A 97.470 1
ATOM 1981 H HG2 . LYS 121 121 ? A 1.475 -11.836 11.275 1.000 1 A 97.470 1
ATOM 1982 H HG3 . LYS 121 121 ? A 0.178 -12.112 10.104 1.000 1 A 97.470 1
ATOM 1983 H HD2 . LYS 121 121 ? A 1.779 -13.224 8.584 1.000 1 A 97.470 1
ATOM 1984 H HD3 . LYS 121 121 ? A 3.094 -12.929 9.736 1.000 1 A 97.470 1
ATOM 1985 H HE2 . LYS 121 121 ? A 0.601 -14.602 10.293 1.000 1 A 97.470 1
ATOM 1986 H HE3 . LYS 121 121 ? A 1.914 -14.330 11.428 1.000 1 A 97.470 1
ATOM 1987 H HZ1 . LYS 121 121 ? A 2.113 -16.509 10.236 1.000 1 A 97.470 1
ATOM 1988 H HZ2 . LYS 121 121 ? A 3.394 -15.585 9.935 1.000 1 A 97.470 1
ATOM 1989 H HZ3 . LYS 121 121 ? A 2.181 -15.802 8.845 1.000 1 A 97.470 1
ATOM 1990 N N . HIS 122 122 ? A 2.182 -8.550 11.827 1.000 1 A 96.350 1
ATOM 1991 C CA . HIS 122 122 ? A 2.642 -8.440 13.211 1.000 1 A 96.350 1
ATOM 1992 C C . HIS 122 122 ? A 2.197 -7.163 13.931 1.000 1 A 96.350 1
ATOM 1993 O O . HIS 122 122 ? A 2.089 -7.191 15.152 1.000 1 A 96.350 1
ATOM 1994 C CB . HIS 122 122 ? A 4.165 -8.620 13.242 1.000 1 A 96.350 1
ATOM 1995 C CG . HIS 122 122 ? A 4.586 -10.004 12.812 1.000 1 A 96.350 1
ATOM 1996 N ND1 . HIS 122 122 ? A 4.168 -11.184 13.382 1.000 1 A 96.350 1
ATOM 1997 C CD2 . HIS 122 122 ? A 5.432 -10.332 11.787 1.000 1 A 96.350 1
ATOM 1998 C CE1 . HIS 122 122 ? A 4.752 -12.197 12.722 1.000 1 A 96.350 1
ATOM 1999 N NE2 . HIS 122 122 ? A 5.522 -11.727 11.729 1.000 1 A 96.350 1
ATOM 2000 H H . HIS 122 122 ? A 2.822 -8.315 11.082 1.000 1 A 96.350 1
ATOM 2001 H HA . HIS 122 122 ? A 2.210 -9.257 13.788 1.000 1 A 96.350 1
ATOM 2002 H HB2 . HIS 122 122 ? A 4.634 -7.875 12.599 1.000 1 A 96.350 1
ATOM 2003 H HB3 . HIS 122 122 ? A 4.519 -8.458 14.260 1.000 1 A 96.350 1
ATOM 2004 H HD1 . HIS 122 122 ? A 3.564 -11.271 14.187 1.000 1 A 96.350 1
ATOM 2005 H HD2 . HIS 122 122 ? A 5.941 -9.635 11.138 1.000 1 A 96.350 1
ATOM 2006 H HE1 . HIS 122 122 ? A 4.635 -13.243 12.963 1.000 1 A 96.350 1
ATOM 2007 N N . ASN 123 123 ? A 1.931 -6.064 13.215 1.000 1 A 96.980 1
ATOM 2008 C CA . ASN 123 123 ? A 1.698 -4.756 13.845 1.000 1 A 96.980 1
ATOM 2009 C C . ASN 123 123 ? A 0.304 -4.182 13.582 1.000 1 A 96.980 1
ATOM 2010 O O . ASN 123 123 ? A -0.223 -3.467 14.428 1.000 1 A 96.980 1
ATOM 2011 C CB . ASN 123 123 ? A 2.774 -3.754 13.392 1.000 1 A 96.980 1
ATOM 2012 C CG . ASN 123 123 ? A 4.185 -4.254 13.623 1.000 1 A 96.980 1
ATOM 2013 O OD1 . ASN 123 123 ? A 4.761 -4.125 14.685 1.000 1 A 96.980 1
ATOM 2014 N ND2 . ASN 123 123 ? A 4.782 -4.866 12.628 1.000 1 A 96.980 1
ATOM 2015 H H . ASN 123 123 ? A 2.052 -6.099 12.212 1.000 1 A 96.980 1
ATOM 2016 H HA . ASN 123 123 ? A 1.784 -4.849 14.928 1.000 1 A 96.980 1
ATOM 2017 H HB2 . ASN 123 123 ? A 2.642 -3.511 12.338 1.000 1 A 96.980 1
ATOM 2018 H HB3 . ASN 123 123 ? A 2.654 -2.831 13.961 1.000 1 A 96.980 1
ATOM 2019 H HD21 . ASN 123 123 ? A 5.718 -5.201 12.806 1.000 1 A 96.980 1
ATOM 2020 H HD22 . ASN 123 123 ? A 4.264 -4.996 11.771 1.000 1 A 96.980 1
ATOM 2021 N N . LEU 124 124 ? A -0.291 -4.460 12.418 1.000 1 A 97.730 1
ATOM 2022 C CA . LEU 124 124 ? A -1.550 -3.829 12.011 1.000 1 A 97.730 1
ATOM 2023 C C . LEU 124 124 ? A -2.732 -4.779 12.158 1.000 1 A 97.730 1
ATOM 2024 O O . LEU 124 124 ? A -3.770 -4.380 12.669 1.000 1 A 97.730 1
ATOM 2025 C CB . LEU 124 124 ? A -1.438 -3.287 10.577 1.000 1 A 97.730 1
ATOM 2026 C CG . LEU 124 124 ? A -0.276 -2.304 10.342 1.000 1 A 97.730 1
ATOM 2027 C CD1 . LEU 124 124 ? A -0.287 -1.831 8.887 1.000 1 A 97.730 1
ATOM 2028 C CD2 . LEU 124 124 ? A -0.364 -1.084 11.259 1.000 1 A 97.730 1
ATOM 2029 H H . LEU 124 124 ? A 0.154 -5.109 11.785 1.000 1 A 97.730 1
ATOM 2030 H HA . LEU 124 124 ? A -1.769 -2.985 12.665 1.000 1 A 97.730 1
ATOM 2031 H HB2 . LEU 124 124 ? A -2.374 -2.786 10.330 1.000 1 A 97.730 1
ATOM 2032 H HB3 . LEU 124 124 ? A -1.329 -4.133 9.898 1.000 1 A 97.730 1
ATOM 2033 H HG . LEU 124 124 ? A 0.673 -2.810 10.521 1.000 1 A 97.730 1
ATOM 2034 H HD11 . LEU 124 124 ? A -1.211 -1.292 8.675 1.000 1 A 97.730 1
ATOM 2035 H HD12 . LEU 124 124 ? A 0.561 -1.170 8.706 1.000 1 A 97.730 1
ATOM 2036 H HD13 . LEU 124 124 ? A -0.211 -2.686 8.215 1.000 1 A 97.730 1
ATOM 2037 H HD21 . LEU 124 124 ? A 0.426 -0.375 11.012 1.000 1 A 97.730 1
ATOM 2038 H HD22 . LEU 124 124 ? A -1.332 -0.596 11.141 1.000 1 A 97.730 1
ATOM 2039 H HD23 . LEU 124 124 ? A -0.234 -1.383 12.299 1.000 1 A 97.730 1
ATOM 2040 N N . LEU 125 125 ? A -2.570 -6.043 11.770 1.000 1 A 97.230 1
ATOM 2041 C CA . LEU 125 125 ? A -3.655 -7.016 11.747 1.000 1 A 97.230 1
ATOM 2042 C C . LEU 125 125 ? A -4.329 -7.220 13.119 1.000 1 A 97.230 1
ATOM 2043 O O . LEU 125 125 ? A -5.559 -7.217 13.148 1.000 1 A 97.230 1
ATOM 2044 C CB . LEU 125 125 ? A -3.147 -8.320 11.111 1.000 1 A 97.230 1
ATOM 2045 C CG . LEU 125 125 ? A -4.258 -9.355 10.889 1.000 1 A 97.230 1
ATOM 2046 C CD1 . LEU 125 125 ? A -5.324 -8.868 9.907 1.000 1 A 97.230 1
ATOM 2047 C CD2 . LEU 125 125 ? A -3.644 -10.620 10.312 1.000 1 A 97.230 1
ATOM 2048 H H . LEU 125 125 ? A -1.679 -6.319 11.382 1.000 1 A 97.230 1
ATOM 2049 H HA . LEU 125 125 ? A -4.418 -6.601 11.087 1.000 1 A 97.230 1
ATOM 2050 H HB2 . LEU 125 125 ? A -2.693 -8.086 10.148 1.000 1 A 97.230 1
ATOM 2051 H HB3 . LEU 125 125 ? A -2.378 -8.764 11.743 1.000 1 A 97.230 1
ATOM 2052 H HG . LEU 125 125 ? A -4.726 -9.604 11.842 1.000 1 A 97.230 1
ATOM 2053 H HD11 . LEU 125 125 ? A -5.885 -8.038 10.336 1.000 1 A 97.230 1
ATOM 2054 H HD12 . LEU 125 125 ? A -4.866 -8.559 8.967 1.000 1 A 97.230 1
ATOM 2055 H HD13 . LEU 125 125 ? A -6.031 -9.676 9.714 1.000 1 A 97.230 1
ATOM 2056 H HD21 . LEU 125 125 ? A -2.910 -11.028 11.007 1.000 1 A 97.230 1
ATOM 2057 H HD22 . LEU 125 125 ? A -3.180 -10.409 9.349 1.000 1 A 97.230 1
ATOM 2058 H HD23 . LEU 125 125 ? A -4.440 -11.351 10.166 1.000 1 A 97.230 1
ATOM 2059 N N . PRO 126 126 ? A -3.604 -7.302 14.258 1.000 1 A 96.430 1
ATOM 2060 C CA . PRO 126 126 ? A -4.251 -7.373 15.571 1.000 1 A 96.430 1
ATOM 2061 C C . PRO 126 126 ? A -5.161 -6.172 15.864 1.000 1 A 96.430 1
ATOM 2062 O O . PRO 126 126 ? A -6.251 -6.337 16.409 1.000 1 A 96.430 1
ATOM 2063 C CB . PRO 126 126 ? A -3.106 -7.461 16.587 1.000 1 A 96.430 1
ATOM 2064 C CG . PRO 126 126 ? A -1.959 -8.072 15.785 1.000 1 A 96.430 1
ATOM 2065 C CD . PRO 126 126 ? A -2.159 -7.455 14.406 1.000 1 A 96.430 1
ATOM 2066 H HA . PRO 126 126 ? A -4.847 -8.285 15.619 1.000 1 A 96.430 1
ATOM 2067 H HB2 . PRO 126 126 ? A -3.376 -8.082 17.441 1.000 1 A 96.430 1
ATOM 2068 H HB3 . PRO 126 126 ? A -2.815 -6.465 16.920 1.000 1 A 96.430 1
ATOM 2069 H HG2 . PRO 126 126 ? A -0.985 -7.817 16.204 1.000 1 A 96.430 1
ATOM 2070 H HG3 . PRO 126 126 ? A -2.085 -9.153 15.726 1.000 1 A 96.430 1
ATOM 2071 H HD2 . PRO 126 126 ? A -1.682 -6.476 14.373 1.000 1 A 96.430 1
ATOM 2072 H HD3 . PRO 126 126 ? A -1.728 -8.108 13.647 1.000 1 A 96.430 1
ATOM 2073 N N . TRP 127 127 ? A -4.737 -4.965 15.473 1.000 1 A 97.800 1
ATOM 2074 C CA . TRP 127 127 ? A -5.546 -3.753 15.609 1.000 1 A 97.800 1
ATOM 2075 C C . TRP 127 127 ? A -6.740 -3.770 14.649 1.000 1 A 97.800 1
ATOM 2076 O O . TRP 127 127 ? A -7.855 -3.459 15.047 1.000 1 A 97.800 1
ATOM 2077 C CB . TRP 127 127 ? A -4.663 -2.516 15.397 1.000 1 A 97.800 1
ATOM 2078 C CG . TRP 127 127 ? A -5.387 -1.212 15.529 1.000 1 A 97.800 1
ATOM 2079 C CD1 . TRP 127 127 ? A -5.474 -0.468 16.654 1.000 1 A 97.800 1
ATOM 2080 C CD2 . TRP 127 127 ? A -6.196 -0.519 14.527 1.000 1 A 97.800 1
ATOM 2081 N NE1 . TRP 127 127 ? A -6.270 0.636 16.417 1.000 1 A 97.800 1
ATOM 2082 C CE2 . TRP 127 127 ? A -6.767 0.637 15.133 1.000 1 A 97.800 1
ATOM 2083 C CE3 . TRP 127 127 ? A -6.527 -0.760 13.176 1.000 1 A 97.800 1
ATOM 2084 C CZ2 . TRP 127 127 ? A -7.663 1.477 14.457 1.000 1 A 97.800 1
ATOM 2085 C CZ3 . TRP 127 127 ? A -7.432 0.070 12.489 1.000 1 A 97.800 1
ATOM 2086 C CH2 . TRP 127 127 ? A -8.017 1.173 13.133 1.000 1 A 97.800 1
ATOM 2087 H H . TRP 127 127 ? A -3.872 -4.900 14.955 1.000 1 A 97.800 1
ATOM 2088 H HA . TRP 127 127 ? A -5.955 -3.708 16.618 1.000 1 A 97.800 1
ATOM 2089 H HB2 . TRP 127 127 ? A -4.218 -2.551 14.402 1.000 1 A 97.800 1
ATOM 2090 H HB3 . TRP 127 127 ? A -3.849 -2.538 16.121 1.000 1 A 97.800 1
ATOM 2091 H HD1 . TRP 127 127 ? A -5.017 -0.721 17.600 1.000 1 A 97.800 1
ATOM 2092 H HE1 . TRP 127 127 ? A -6.596 1.265 17.136 1.000 1 A 97.800 1
ATOM 2093 H HE3 . TRP 127 127 ? A -6.108 -1.621 12.675 1.000 1 A 97.800 1
ATOM 2094 H HZ2 . TRP 127 127 ? A -8.107 2.314 14.975 1.000 1 A 97.800 1
ATOM 2095 H HZ3 . TRP 127 127 ? A -7.725 -0.176 11.479 1.000 1 A 97.800 1
ATOM 2096 H HH2 . TRP 127 127 ? A -8.762 1.761 12.617 1.000 1 A 97.800 1
ATOM 2097 N N . MET 128 128 ? A -6.529 -4.189 13.401 1.000 1 A 97.720 1
ATOM 2098 C CA . MET 128 128 ? A -7.586 -4.262 12.389 1.000 1 A 97.720 1
ATOM 2099 C C . MET 128 128 ? A -8.707 -5.201 12.834 1.000 1 A 97.720 1
ATOM 2100 O O . MET 128 128 ? A -9.873 -4.834 12.756 1.000 1 A 97.720 1
ATOM 2101 C CB . MET 128 128 ? A -6.993 -4.731 11.056 1.000 1 A 97.720 1
ATOM 2102 C CG . MET 128 128 ? A -6.024 -3.700 10.466 1.000 1 A 97.720 1
ATOM 2103 S SD . MET 128 128 ? A -4.970 -4.305 9.122 1.000 1 A 97.720 1
ATOM 2104 C CE . MET 128 128 ? A -6.223 -4.818 7.934 1.000 1 A 97.720 1
ATOM 2105 H H . MET 128 128 ? A -5.587 -4.441 13.136 1.000 1 A 97.720 1
ATOM 2106 H HA . MET 128 128 ? A -8.026 -3.273 12.258 1.000 1 A 97.720 1
ATOM 2107 H HB2 . MET 128 128 ? A -7.803 -4.900 10.346 1.000 1 A 97.720 1
ATOM 2108 H HB3 . MET 128 128 ? A -6.470 -5.675 11.205 1.000 1 A 97.720 1
ATOM 2109 H HG2 . MET 128 128 ? A -5.366 -3.325 11.250 1.000 1 A 97.720 1
ATOM 2110 H HG3 . MET 128 128 ? A -6.598 -2.841 10.117 1.000 1 A 97.720 1
ATOM 2111 H HE1 . MET 128 128 ? A -6.860 -3.974 7.669 1.000 1 A 97.720 1
ATOM 2112 H HE2 . MET 128 128 ? A -5.709 -5.180 7.044 1.000 1 A 97.720 1
ATOM 2113 H HE3 . MET 128 128 ? A -6.827 -5.625 8.349 1.000 1 A 97.720 1
ATOM 2114 N N . ILE 129 129 ? A -8.362 -6.378 13.365 1.000 1 A 96.200 1
ATOM 2115 C CA . ILE 129 129 ? A -9.335 -7.340 13.898 1.000 1 A 96.200 1
ATOM 2116 C C . ILE 129 129 ? A -10.107 -6.741 15.080 1.000 1 A 96.200 1
ATOM 2117 O O . ILE 129 129 ? A -11.328 -6.873 15.135 1.000 1 A 96.200 1
ATOM 2118 C CB . ILE 129 129 ? A -8.622 -8.659 14.275 1.000 1 A 96.200 1
ATOM 2119 C CG1 . ILE 129 129 ? A -8.111 -9.365 12.997 1.000 1 A 96.200 1
ATOM 2120 C CG2 . ILE 129 129 ? A -9.559 -9.603 15.055 1.000 1 A 96.200 1
ATOM 2121 C CD1 . ILE 129 129 ? A -7.114 -10.493 13.278 1.000 1 A 96.200 1
ATOM 2122 H H . ILE 129 129 ? A -7.381 -6.616 13.405 1.000 1 A 96.200 1
ATOM 2123 H HA . ILE 129 129 ? A -10.072 -7.560 13.125 1.000 1 A 96.200 1
ATOM 2124 H HB . ILE 129 129 ? A -7.770 -8.420 14.912 1.000 1 A 96.200 1
ATOM 2125 H HG12 . ILE 129 129 ? A -7.610 -8.646 12.348 1.000 1 A 96.200 1
ATOM 2126 H HG13 . ILE 129 129 ? A -8.958 -9.769 12.442 1.000 1 A 96.200 1
ATOM 2127 H HG21 . ILE 129 129 ? A -9.057 -10.542 15.291 1.000 1 A 96.200 1
ATOM 2128 H HG22 . ILE 129 129 ? A -9.858 -9.155 16.003 1.000 1 A 96.200 1
ATOM 2129 H HG23 . ILE 129 129 ? A -10.452 -9.815 14.467 1.000 1 A 96.200 1
ATOM 2130 H HD11 . ILE 129 129 ? A -6.270 -10.109 13.852 1.000 1 A 96.200 1
ATOM 2131 H HD12 . ILE 129 129 ? A -7.593 -11.302 13.829 1.000 1 A 96.200 1
ATOM 2132 H HD13 . ILE 129 129 ? A -6.750 -10.885 12.329 1.000 1 A 96.200 1
ATOM 2133 N N . SER 130 130 ? A -9.435 -6.038 16.000 1.000 1 A 97.010 1
ATOM 2134 C CA . SER 130 130 ? A -10.110 -5.405 17.143 1.000 1 A 97.010 1
ATOM 2135 C C . SER 130 130 ? A -10.968 -4.189 16.774 1.000 1 A 97.010 1
ATOM 2136 O O . SER 130 130 ? A -11.761 -3.743 17.599 1.000 1 A 97.010 1
ATOM 2137 C CB . SER 130 130 ? A -9.112 -5.063 18.252 1.000 1 A 97.010 1
ATOM 2138 O OG . SER 130 130 ? A -8.208 -4.040 17.885 1.000 1 A 97.010 1
ATOM 2139 H H . SER 130 130 ? A -8.437 -5.916 15.904 1.000 1 A 97.010 1
ATOM 2140 H HA . SER 130 130 ? A -10.801 -6.138 17.560 1.000 1 A 97.010 1
ATOM 2141 H HB2 . SER 130 130 ? A -8.549 -5.962 18.501 1.000 1 A 97.010 1
ATOM 2142 H HB3 . SER 130 130 ? A -9.663 -4.747 19.138 1.000 1 A 97.010 1
ATOM 2143 H HG . SER 130 130 ? A -7.425 -4.146 18.430 1.000 1 A 97.010 1
ATOM 2144 N N . HIS 131 131 ? A -10.852 -3.684 15.542 1.000 1 A 97.090 1
ATOM 2145 C CA . HIS 131 131 ? A -11.601 -2.538 15.020 1.000 1 A 97.090 1
ATOM 2146 C C . HIS 131 131 ? A -12.544 -2.930 13.872 1.000 1 A 97.090 1
ATOM 2147 O O . HIS 131 131 ? A -12.807 -2.120 12.994 1.000 1 A 97.090 1
ATOM 2148 C CB . HIS 131 131 ? A -10.634 -1.396 14.655 1.000 1 A 97.090 1
ATOM 2149 C CG . HIS 131 131 ? A -9.956 -0.802 15.862 1.000 1 A 97.090 1
ATOM 2150 N ND1 . HIS 131 131 ? A -9.048 -1.440 16.665 1.000 1 A 97.090 1
ATOM 2151 C CD2 . HIS 131 131 ? A -10.167 0.436 16.406 1.000 1 A 97.090 1
ATOM 2152 C CE1 . HIS 131 131 ? A -8.739 -0.627 17.682 1.000 1 A 97.090 1
ATOM 2153 N NE2 . HIS 131 131 ? A -9.369 0.553 17.554 1.000 1 A 97.090 1
ATOM 2154 H H . HIS 131 131 ? A -10.150 -4.084 14.936 1.000 1 A 97.090 1
ATOM 2155 H HA . HIS 131 131 ? A -12.252 -2.160 15.807 1.000 1 A 97.090 1
ATOM 2156 H HB2 . HIS 131 131 ? A -11.184 -0.597 14.159 1.000 1 A 97.090 1
ATOM 2157 H HB3 . HIS 131 131 ? A -9.879 -1.764 13.960 1.000 1 A 97.090 1
ATOM 2158 H HD1 . HIS 131 131 ? A -8.695 -2.374 16.514 1.000 1 A 97.090 1
ATOM 2159 H HD2 . HIS 131 131 ? A -10.848 1.182 16.024 1.000 1 A 97.090 1
ATOM 2160 H HE1 . HIS 131 131 ? A -8.059 -0.878 18.482 1.000 1 A 97.090 1
ATOM 2161 N N . GLY 132 132 ? A -13.062 -4.164 13.865 1.000 1 A 95.380 1
ATOM 2162 C CA . GLY 132 132 ? A -14.111 -4.591 12.927 1.000 1 A 95.380 1
ATOM 2163 C C . GLY 132 132 ? A -13.616 -5.191 11.607 1.000 1 A 95.380 1
ATOM 2164 O O . GLY 132 132 ? A -14.426 -5.510 10.743 1.000 1 A 95.380 1
ATOM 2165 H H . GLY 132 132 ? A -12.768 -4.811 14.582 1.000 1 A 95.380 1
ATOM 2166 H HA2 . GLY 132 132 ? A -14.725 -5.347 13.416 1.000 1 A 95.380 1
ATOM 2167 H HA3 . GLY 132 132 ? A -14.755 -3.744 12.691 1.000 1 A 95.380 1
ATOM 2168 N N . GLY 133 133 ? A -12.307 -5.392 11.448 1.000 1 A 95.110 1
ATOM 2169 C CA . GLY 133 133 ? A -11.746 -6.228 10.389 1.000 1 A 95.110 1
ATOM 2170 C C . GLY 133 133 ? A -11.895 -5.669 8.973 1.000 1 A 95.110 1
ATOM 2171 O O . GLY 133 133 ? A -11.768 -4.467 8.729 1.000 1 A 95.110 1
ATOM 2172 H H . GLY 133 133 ? A -11.678 -5.040 12.155 1.000 1 A 95.110 1
ATOM 2173 H HA2 . GLY 133 133 ? A -12.242 -7.198 10.427 1.000 1 A 95.110 1
ATOM 2174 H HA3 . GLY 133 133 ? A -10.685 -6.386 10.581 1.000 1 A 95.110 1
ATOM 2175 N N . GLN 134 134 ? A -12.088 -6.576 8.012 1.000 1 A 95.240 1
ATOM 2176 C CA . GLN 134 134 ? A -12.171 -6.243 6.588 1.000 1 A 95.240 1
ATOM 2177 C C . GLN 134 134 ? A -13.430 -5.441 6.266 1.000 1 A 95.240 1
ATOM 2178 O O . GLN 134 134 ? A -13.383 -4.556 5.410 1.000 1 A 95.240 1
ATOM 2179 C CB . GLN 134 134 ? A -12.165 -7.538 5.758 1.000 1 A 95.240 1
ATOM 2180 C CG . GLN 134 134 ? A -10.767 -8.152 5.682 1.000 1 A 95.240 1
ATOM 2181 C CD . GLN 134 134 ? A -10.740 -9.425 4.855 1.000 1 A 95.240 1
ATOM 2182 O OE1 . GLN 134 134 ? A -11.216 -10.472 5.246 1.000 1 A 95.240 1
ATOM 2183 N NE2 . GLN 134 134 ? A -10.159 -9.397 3.680 1.000 1 A 95.240 1
ATOM 2184 H H . GLN 134 134 ? A -12.370 -7.506 8.289 1.000 1 A 95.240 1
ATOM 2185 H HA . GLN 134 134 ? A -11.314 -5.630 6.309 1.000 1 A 95.240 1
ATOM 2186 H HB2 . GLN 134 134 ? A -12.862 -8.255 6.191 1.000 1 A 95.240 1
ATOM 2187 H HB3 . GLN 134 134 ? A -12.495 -7.318 4.743 1.000 1 A 95.240 1
ATOM 2188 H HG2 . GLN 134 134 ? A -10.394 -8.369 6.683 1.000 1 A 95.240 1
ATOM 2189 H HG3 . GLN 134 134 ? A -10.111 -7.432 5.194 1.000 1 A 95.240 1
ATOM 2190 H HE21 . GLN 134 134 ? A -9.830 -8.530 3.280 1.000 1 A 95.240 1
ATOM 2191 H HE22 . GLN 134 134 ? A -10.224 -10.249 3.141 1.000 1 A 95.240 1
ATOM 2192 N N . GLU 135 135 ? A -14.528 -5.743 6.951 1.000 1 A 95.860 1
ATOM 2193 C CA . GLU 135 135 ? A -15.834 -5.119 6.799 1.000 1 A 95.860 1
ATOM 2194 C C . GLU 135 135 ? A -15.783 -3.644 7.195 1.000 1 A 95.860 1
ATOM 2195 O O . GLU 135 135 ? A -16.237 -2.794 6.429 1.000 1 A 95.860 1
ATOM 2196 C CB . GLU 135 135 ? A -16.873 -5.862 7.658 1.000 1 A 95.860 1
ATOM 2197 C CG . GLU 135 135 ? A -17.157 -7.311 7.220 1.000 1 A 95.860 1
ATOM 2198 C CD . GLU 135 135 ? A -16.084 -8.356 7.593 1.000 1 A 95.860 1
ATOM 2199 O OE1 . GLU 135 135 ? A -16.224 -9.495 7.102 1.000 1 A 95.860 1
ATOM 2200 O OE2 . GLU 135 135 ? A -15.115 -8.026 8.321 1.000 1 A 95.860 1
ATOM 2201 H H . GLU 135 135 ? A -14.481 -6.506 7.611 1.000 1 A 95.860 1
ATOM 2202 H HA . GLU 135 135 ? A -16.143 -5.170 5.755 1.000 1 A 95.860 1
ATOM 2203 H HB2 . GLU 135 135 ? A -16.576 -5.845 8.707 1.000 1 A 95.860 1
ATOM 2204 H HB3 . GLU 135 135 ? A -17.811 -5.313 7.579 1.000 1 A 95.860 1
ATOM 2205 H HG2 . GLU 135 135 ? A -17.314 -7.318 6.142 1.000 1 A 95.860 1
ATOM 2206 H HG3 . GLU 135 135 ? A -18.096 -7.614 7.683 1.000 1 A 95.860 1
ATOM 2207 N N . GLU 136 136 ? A -15.159 -3.321 8.332 1.000 1 A 96.560 1
ATOM 2208 C CA . GLU 136 136 ? A -15.003 -1.928 8.762 1.000 1 A 96.560 1
ATOM 2209 C C . GLU 136 136 ? A -14.033 -1.163 7.852 1.000 1 A 96.560 1
ATOM 2210 O O . GLU 136 136 ? A -14.274 -0.002 7.519 1.000 1 A 96.560 1
ATOM 2211 C CB . GLU 136 136 ? A -14.552 -1.875 10.227 1.000 1 A 96.560 1
ATOM 2212 C CG . GLU 136 136 ? A -14.607 -0.448 10.804 1.000 1 A 96.560 1
ATOM 2213 C CD . GLU 136 136 ? A -16.014 0.164 10.842 1.000 1 A 96.560 1
ATOM 2214 O OE1 . GLU 136 136 ? A -16.079 1.415 10.862 1.000 1 A 96.560 1
ATOM 2215 O OE2 . GLU 136 136 ? A -17.005 -0.600 10.854 1.000 1 A 96.560 1
ATOM 2216 H H . GLU 136 136 ? A -14.843 -4.060 8.944 1.000 1 A 96.560 1
ATOM 2217 H HA . GLU 136 136 ? A -15.976 -1.443 8.689 1.000 1 A 96.560 1
ATOM 2218 H HB2 . GLU 136 136 ? A -15.194 -2.524 10.824 1.000 1 A 96.560 1
ATOM 2219 H HB3 . GLU 136 136 ? A -13.532 -2.252 10.297 1.000 1 A 96.560 1
ATOM 2220 H HG2 . GLU 136 136 ? A -14.215 -0.454 11.821 1.000 1 A 96.560 1
ATOM 2221 H HG3 . GLU 136 136 ? A -13.951 0.194 10.217 1.000 1 A 96.560 1
ATOM 2222 N N . PHE 137 137 ? A -12.968 -1.810 7.361 1.000 1 A 96.560 1
ATOM 2223 C CA . PHE 137 137 ? A -12.086 -1.176 6.378 1.000 1 A 96.560 1
ATOM 2224 C C . PHE 137 137 ? A -12.807 -0.885 5.053 1.000 1 A 96.560 1
ATOM 2225 O O . PHE 137 137 ? A -12.612 0.176 4.453 1.000 1 A 96.560 1
ATOM 2226 C CB . PHE 137 137 ? A -10.835 -2.031 6.143 1.000 1 A 96.560 1
ATOM 2227 C CG . PHE 137 137 ? A -9.792 -1.355 5.264 1.000 1 A 96.560 1
ATOM 2228 C CD1 . PHE 137 137 ? A -9.243 -2.023 4.152 1.000 1 A 96.560 1
ATOM 2229 C CD2 . PHE 137 137 ? A -9.377 -0.039 5.544 1.000 1 A 96.560 1
ATOM 2230 C CE1 . PHE 137 137 ? A -8.307 -1.379 3.323 1.000 1 A 96.560 1
ATOM 2231 C CE2 . PHE 137 137 ? A -8.424 0.598 4.733 1.000 1 A 96.560 1
ATOM 2232 C CZ . PHE 137 137 ? A -7.893 -0.070 3.617 1.000 1 A 96.560 1
ATOM 2233 H H . PHE 137 137 ? A -12.775 -2.747 7.684 1.000 1 A 96.560 1
ATOM 2234 H HA . PHE 137 137 ? A -11.783 -0.216 6.797 1.000 1 A 96.560 1
ATOM 2235 H HB2 . PHE 137 137 ? A -11.134 -2.978 5.692 1.000 1 A 96.560 1
ATOM 2236 H HB3 . PHE 137 137 ? A -10.379 -2.259 7.106 1.000 1 A 96.560 1
ATOM 2237 H HD1 . PHE 137 137 ? A -9.543 -3.034 3.923 1.000 1 A 96.560 1
ATOM 2238 H HD2 . PHE 137 137 ? A -9.799 0.495 6.383 1.000 1 A 96.560 1
ATOM 2239 H HE1 . PHE 137 137 ? A -7.913 -1.890 2.457 1.000 1 A 96.560 1
ATOM 2240 H HE2 . PHE 137 137 ? A -8.116 1.608 4.960 1.000 1 A 96.560 1
ATOM 2241 H HZ . PHE 137 137 ? A -7.178 0.428 2.978 1.000 1 A 96.560 1
ATOM 2242 N N . LEU 138 138 ? A -13.687 -1.788 4.611 1.000 1 A 96.170 1
ATOM 2243 C CA . LEU 138 138 ? A -14.538 -1.565 3.446 1.000 1 A 96.170 1
ATOM 2244 C C . LEU 138 138 ? A -15.532 -0.427 3.704 1.000 1 A 96.170 1
ATOM 2245 O O . LEU 138 138 ? A -15.657 0.463 2.863 1.000 1 A 96.170 1
ATOM 2246 C CB . LEU 138 138 ? A -15.246 -2.875 3.077 1.000 1 A 96.170 1
ATOM 2247 C CG . LEU 138 138 ? A -16.162 -2.787 1.845 1.000 1 A 96.170 1
ATOM 2248 C CD1 . LEU 138 138 ? A -15.388 -2.483 0.564 1.000 1 A 96.170 1
ATOM 2249 C CD2 . LEU 138 138 ? A -16.882 -4.120 1.643 1.000 1 A 96.170 1
ATOM 2250 H H . LEU 138 138 ? A -13.814 -2.635 5.147 1.000 1 A 96.170 1
ATOM 2251 H HA . LEU 138 138 ? A -13.896 -1.272 2.615 1.000 1 A 96.170 1
ATOM 2252 H HB2 . LEU 138 138 ? A -15.840 -3.209 3.928 1.000 1 A 96.170 1
ATOM 2253 H HB3 . LEU 138 138 ? A -14.480 -3.625 2.881 1.000 1 A 96.170 1
ATOM 2254 H HG . LEU 138 138 ? A -16.916 -2.014 1.998 1.000 1 A 96.170 1
ATOM 2255 H HD11 . LEU 138 138 ? A -14.942 -1.491 0.619 1.000 1 A 96.170 1
ATOM 2256 H HD12 . LEU 138 138 ? A -14.604 -3.225 0.413 1.000 1 A 96.170 1
ATOM 2257 H HD13 . LEU 138 138 ? A -16.078 -2.501 -0.280 1.000 1 A 96.170 1
ATOM 2258 H HD21 . LEU 138 138 ? A -16.157 -4.914 1.467 1.000 1 A 96.170 1
ATOM 2259 H HD22 . LEU 138 138 ? A -17.460 -4.359 2.535 1.000 1 A 96.170 1
ATOM 2260 H HD23 . LEU 138 138 ? A -17.563 -4.050 0.795 1.000 1 A 96.170 1
ATOM 2261 N N . ALA 139 139 ? A -16.187 -0.397 4.865 1.000 1 A 95.430 1
ATOM 2262 C CA . ALA 139 139 ? A -17.079 0.695 5.248 1.000 1 A 95.430 1
ATOM 2263 C C . ALA 139 139 ? A -16.343 2.043 5.242 1.000 1 A 95.430 1
ATOM 2264 O O . ALA 139 139 ? A -16.825 2.997 4.628 1.000 1 A 95.430 1
ATOM 2265 C CB . ALA 139 139 ? A -17.693 0.385 6.617 1.000 1 A 95.430 1
ATOM 2266 H H . ALA 139 139 ? A -16.060 -1.157 5.518 1.000 1 A 95.430 1
ATOM 2267 H HA . ALA 139 139 ? A -17.885 0.752 4.516 1.000 1 A 95.430 1
ATOM 2268 H HB1 . ALA 139 139 ? A -16.921 0.352 7.385 1.000 1 A 95.430 1
ATOM 2269 H HB2 . ALA 139 139 ? A -18.414 1.158 6.884 1.000 1 A 95.430 1
ATOM 2270 H HB3 . ALA 139 139 ? A -18.201 -0.579 6.590 1.000 1 A 95.430 1
ATOM 2271 N N . PHE 140 140 ? A -15.139 2.107 5.815 1.000 1 A 93.830 1
ATOM 2272 C CA . PHE 140 140 ? A -14.263 3.274 5.728 1.000 1 A 93.830 1
ATOM 2273 C C . PHE 140 140 ? A -13.975 3.653 4.270 1.000 1 A 93.830 1
ATOM 2274 O O . PHE 140 140 ? A -14.121 4.817 3.904 1.000 1 A 93.830 1
ATOM 2275 C CB . PHE 140 140 ? A -12.966 2.999 6.503 1.000 1 A 93.830 1
ATOM 2276 C CG . PHE 140 140 ? A -11.914 4.078 6.332 1.000 1 A 93.830 1
ATOM 2277 C CD1 . PHE 140 140 ? A -10.906 3.939 5.358 1.000 1 A 93.830 1
ATOM 2278 C CD2 . PHE 140 140 ? A -11.966 5.241 7.122 1.000 1 A 93.830 1
ATOM 2279 C CE1 . PHE 140 140 ? A -9.956 4.959 5.177 1.000 1 A 93.830 1
ATOM 2280 C CE2 . PHE 140 140 ? A -11.014 6.261 6.941 1.000 1 A 93.830 1
ATOM 2281 C CZ . PHE 140 140 ? A -10.012 6.122 5.965 1.000 1 A 93.830 1
ATOM 2282 H H . PHE 140 140 ? A -14.825 1.311 6.352 1.000 1 A 93.830 1
ATOM 2283 H HA . PHE 140 140 ? A -14.766 4.123 6.191 1.000 1 A 93.830 1
ATOM 2284 H HB2 . PHE 140 140 ? A -12.542 2.049 6.178 1.000 1 A 93.830 1
ATOM 2285 H HB3 . PHE 140 140 ? A -13.205 2.897 7.561 1.000 1 A 93.830 1
ATOM 2286 H HD1 . PHE 140 140 ? A -10.871 3.053 4.741 1.000 1 A 93.830 1
ATOM 2287 H HD2 . PHE 140 140 ? A -12.756 5.362 7.848 1.000 1 A 93.830 1
ATOM 2288 H HE1 . PHE 140 140 ? A -9.202 4.865 4.410 1.000 1 A 93.830 1
ATOM 2289 H HE2 . PHE 140 140 ? A -11.087 7.172 7.517 1.000 1 A 93.830 1
ATOM 2290 H HZ . PHE 140 140 ? A -9.315 6.927 5.787 1.000 1 A 93.830 1
ATOM 2291 N N . SER 141 141 ? A -13.624 2.690 3.411 1.000 1 A 91.620 1
ATOM 2292 C CA . SER 141 141 ? A -13.304 2.956 2.000 1.000 1 A 91.620 1
ATOM 2293 C C . SER 141 141 ? A -14.465 3.559 1.202 1.000 1 A 91.620 1
ATOM 2294 O O . SER 141 141 ? A -14.231 4.335 0.278 1.000 1 A 91.620 1
ATOM 2295 C CB . SER 141 141 ? A -12.809 1.680 1.311 1.000 1 A 91.620 1
ATOM 2296 O OG . SER 141 141 ? A -13.845 0.788 0.972 1.000 1 A 91.620 1
ATOM 2297 H H . SER 141 141 ? A -13.500 1.754 3.770 1.000 1 A 91.620 1
ATOM 2298 H HA . SER 141 141 ? A -12.492 3.683 1.976 1.000 1 A 91.620 1
ATOM 2299 H HB2 . SER 141 141 ? A -12.335 1.961 0.371 1.000 1 A 91.620 1
ATOM 2300 H HB3 . SER 141 141 ? A -12.076 1.178 1.942 1.000 1 A 91.620 1
ATOM 2301 H HG . SER 141 141 ? A -14.449 0.701 1.713 1.000 1 A 91.620 1
ATOM 2302 N N . LEU 142 142 ? A -15.705 3.225 1.570 1.000 1 A 91.500 1
ATOM 2303 C CA . LEU 142 142 ? A -16.917 3.682 0.891 1.000 1 A 91.500 1
ATOM 2304 C C . LEU 142 142 ? A -17.397 5.055 1.379 1.000 1 A 91.500 1
ATOM 2305 O O . LEU 142 142 ? A -18.027 5.778 0.611 1.000 1 A 91.500 1
ATOM 2306 C CB . LEU 142 142 ? A -18.014 2.620 1.085 1.000 1 A 91.500 1
ATOM 2307 C CG . LEU 142 142 ? A -17.745 1.278 0.376 1.000 1 A 91.500 1
ATOM 2308 C CD1 . LEU 142 142 ? A -18.796 0.256 0.808 1.000 1 A 91.500 1
ATOM 2309 C CD2 . LEU 142 142 ? A -17.787 1.405 -1.148 1.000 1 A 91.500 1
ATOM 2310 H H . LEU 142 142 ? A -15.808 2.566 2.328 1.000 1 A 91.500 1
ATOM 2311 H HA . LEU 142 142 ? A -16.711 3.795 -0.174 1.000 1 A 91.500 1
ATOM 2312 H HB2 . LEU 142 142 ? A -18.129 2.438 2.154 1.000 1 A 91.500 1
ATOM 2313 H HB3 . LEU 142 142 ? A -18.959 3.021 0.718 1.000 1 A 91.500 1
ATOM 2314 H HG . LEU 142 142 ? A -16.762 0.895 0.653 1.000 1 A 91.500 1
ATOM 2315 H HD11 . LEU 142 142 ? A -19.793 0.599 0.533 1.000 1 A 91.500 1
ATOM 2316 H HD12 . LEU 142 142 ? A -18.745 0.119 1.889 1.000 1 A 91.500 1
ATOM 2317 H HD13 . LEU 142 142 ? A -18.594 -0.703 0.331 1.000 1 A 91.500 1
ATOM 2318 H HD21 . LEU 142 142 ? A -17.665 0.421 -1.601 1.000 1 A 91.500 1
ATOM 2319 H HD22 . LEU 142 142 ? A -18.737 1.837 -1.461 1.000 1 A 91.500 1
ATOM 2320 H HD23 . LEU 142 142 ? A -16.966 2.037 -1.487 1.000 1 A 91.500 1
ATOM 2321 N N . HIS 143 143 ? A -17.107 5.414 2.633 1.000 1 A 88.730 1
ATOM 2322 C CA . HIS 143 143 ? A -17.631 6.626 3.276 1.000 1 A 88.730 1
ATOM 2323 C C . HIS 143 143 ? A -16.562 7.685 3.587 1.000 1 A 88.730 1
ATOM 2324 O O . HIS 143 143 ? A -16.895 8.748 4.107 1.000 1 A 88.730 1
ATOM 2325 C CB . HIS 143 143 ? A -18.408 6.236 4.541 1.000 1 A 88.730 1
ATOM 2326 C CG . HIS 143 143 ? A -19.529 5.261 4.290 1.000 1 A 88.730 1
ATOM 2327 N ND1 . HIS 143 143 ? A -19.449 3.900 4.441 1.000 1 A 88.730 1
ATOM 2328 C CD2 . HIS 143 143 ? A -20.801 5.542 3.872 1.000 1 A 88.730 1
ATOM 2329 C CE1 . HIS 143 143 ? A -20.639 3.368 4.130 1.000 1 A 88.730 1
ATOM 2330 N NE2 . HIS 143 143 ? A -21.501 4.333 3.772 1.000 1 A 88.730 1
ATOM 2331 H H . HIS 143 143 ? A -16.621 4.745 3.212 1.000 1 A 88.730 1
ATOM 2332 H HA . HIS 143 143 ? A -18.338 7.109 2.601 1.000 1 A 88.730 1
ATOM 2333 H HB2 . HIS 143 143 ? A -18.832 7.135 4.990 1.000 1 A 88.730 1
ATOM 2334 H HB3 . HIS 143 143 ? A -17.717 5.799 5.261 1.000 1 A 88.730 1
ATOM 2335 H HD1 . HIS 143 143 ? A -18.610 3.399 4.696 1.000 1 A 88.730 1
ATOM 2336 H HD2 . HIS 143 143 ? A -21.194 6.525 3.655 1.000 1 A 88.730 1
ATOM 2337 H HE1 . HIS 143 143 ? A -20.873 2.314 4.152 1.000 1 A 88.730 1
ATOM 2338 N N . SER 144 144 ? A -15.286 7.417 3.293 1.000 1 A 85.400 1
ATOM 2339 C CA . SER 144 144 ? A -14.202 8.382 3.512 1.000 1 A 85.400 1
ATOM 2340 C C . SER 144 144 ? A -14.400 9.643 2.678 1.000 1 A 85.400 1
ATOM 2341 O O . SER 144 144 ? A -14.470 9.588 1.450 1.000 1 A 85.400 1
ATOM 2342 C CB . SER 144 144 ? A -12.841 7.789 3.153 1.000 1 A 85.400 1
ATOM 2343 O OG . SER 144 144 ? A -12.456 6.837 4.112 1.000 1 A 85.400 1
ATOM 2344 H H . SER 144 144 ? A -15.061 6.511 2.907 1.000 1 A 85.400 1
ATOM 2345 H HA . SER 144 144 ? A -14.184 8.660 4.566 1.000 1 A 85.400 1
ATOM 2346 H HB2 . SER 144 144 ? A -12.886 7.330 2.166 1.000 1 A 85.400 1
ATOM 2347 H HB3 . SER 144 144 ? A -12.096 8.584 3.140 1.000 1 A 85.400 1
ATOM 2348 H HG . SER 144 144 ? A -13.088 6.115 4.086 1.000 1 A 85.400 1
ATOM 2349 N N . ASP 145 145 ? A -14.424 10.796 3.343 1.000 1 A 80.580 1
ATOM 2350 C CA . ASP 145 145 ? A -14.453 12.093 2.676 1.000 1 A 80.580 1
ATOM 2351 C C . ASP 145 145 ? A -13.045 12.596 2.307 1.000 1 A 80.580 1
ATOM 2352 O O . ASP 145 145 ? A -12.022 12.152 2.837 1.000 1 A 80.580 1
ATOM 2353 C CB . ASP 145 145 ? A -15.266 13.105 3.504 1.000 1 A 80.580 1
ATOM 2354 C CG . ASP 145 145 ? A -14.617 13.528 4.828 1.000 1 A 80.580 1
ATOM 2355 O OD1 . ASP 145 145 ? A -13.374 13.679 4.860 1.000 1 A 80.580 1
ATOM 2356 O OD2 . ASP 145 145 ? A -15.363 13.787 5.789 1.000 1 A 80.580 1
ATOM 2357 H H . ASP 145 145 ? A -14.414 10.773 4.353 1.000 1 A 80.580 1
ATOM 2358 H HA . ASP 145 145 ? A -14.994 11.968 1.738 1.000 1 A 80.580 1
ATOM 2359 H HB2 . ASP 145 145 ? A -16.249 12.679 3.704 1.000 1 A 80.580 1
ATOM 2360 H HB3 . ASP 145 145 ? A -15.416 14.000 2.900 1.000 1 A 80.580 1
ATOM 2361 N N . MET 146 146 ? A -12.984 13.585 1.413 1.000 1 A 74.180 1
ATOM 2362 C CA . MET 146 146 ? A -11.731 14.209 0.976 1.000 1 A 74.180 1
ATOM 2363 C C . MET 146 146 ? A -10.907 14.805 2.133 1.000 1 A 74.180 1
ATOM 2364 O O . MET 146 146 ? A -9.674 14.786 2.080 1.000 1 A 74.180 1
ATOM 2365 C CB . MET 146 146 ? A -12.075 15.281 -0.072 1.000 1 A 74.180 1
ATOM 2366 C CG . MET 146 146 ? A -10.876 16.161 -0.443 1.000 1 A 74.180 1
ATOM 2367 S SD . MET 146 146 ? A -11.138 17.260 -1.859 1.000 1 A 74.180 1
ATOM 2368 C CE . MET 146 146 ? A -12.015 18.593 -1.000 1.000 1 A 74.180 1
ATOM 2369 H H . MET 146 146 ? A -13.852 13.896 0.999 1.000 1 A 74.180 1
ATOM 2370 H HA . MET 146 146 ? A -11.111 13.449 0.500 1.000 1 A 74.180 1
ATOM 2371 H HB2 . MET 146 146 ? A -12.442 14.784 -0.970 1.000 1 A 74.180 1
ATOM 2372 H HB3 . MET 146 146 ? A -12.865 15.924 0.314 1.000 1 A 74.180 1
ATOM 2373 H HG2 . MET 146 146 ? A -10.629 16.784 0.417 1.000 1 A 74.180 1
ATOM 2374 H HG3 . MET 146 146 ? A -10.006 15.533 -0.633 1.000 1 A 74.180 1
ATOM 2375 H HE1 . MET 146 146 ? A -12.265 19.380 -1.712 1.000 1 A 74.180 1
ATOM 2376 H HE2 . MET 146 146 ? A -12.935 18.207 -0.561 1.000 1 A 74.180 1
ATOM 2377 H HE3 . MET 146 146 ? A -11.383 19.006 -0.213 1.000 1 A 74.180 1
ATOM 2378 N N . TYR 147 147 ? A -11.547 15.341 3.178 1.000 1 A 76.820 1
ATOM 2379 C CA . TYR 147 147 ? A -10.843 15.977 4.295 1.000 1 A 76.820 1
ATOM 2380 C C . TYR 147 147 ? A -10.046 14.958 5.106 1.000 1 A 76.820 1
ATOM 2381 O O . TYR 147 147 ? A -8.876 15.199 5.420 1.000 1 A 76.820 1
ATOM 2382 C CB . TYR 147 147 ? A -11.830 16.719 5.204 1.000 1 A 76.820 1
ATOM 2383 C CG . TYR 147 147 ? A -12.390 17.986 4.595 1.000 1 A 76.820 1
ATOM 2384 C CD1 . TYR 147 147 ? A -11.595 19.148 4.565 1.000 1 A 76.820 1
ATOM 2385 C CD2 . TYR 147 147 ? A -13.700 18.011 4.081 1.000 1 A 76.820 1
ATOM 2386 C CE1 . TYR 147 147 ? A -12.109 20.342 4.024 1.000 1 A 76.820 1
ATOM 2387 C CE2 . TYR 147 147 ? A -14.215 19.201 3.533 1.000 1 A 76.820 1
ATOM 2388 C CZ . TYR 147 147 ? A -13.423 20.368 3.508 1.000 1 A 76.820 1
ATOM 2389 O OH . TYR 147 147 ? A -13.928 21.518 2.991 1.000 1 A 76.820 1
ATOM 2390 H H . TYR 147 147 ? A -12.531 15.146 3.294 1.000 1 A 76.820 1
ATOM 2391 H HA . TYR 147 147 ? A -10.131 16.700 3.897 1.000 1 A 76.820 1
ATOM 2392 H HB2 . TYR 147 147 ? A -12.648 16.056 5.485 1.000 1 A 76.820 1
ATOM 2393 H HB3 . TYR 147 147 ? A -11.315 16.994 6.124 1.000 1 A 76.820 1
ATOM 2394 H HD1 . TYR 147 147 ? A -10.596 19.123 4.975 1.000 1 A 76.820 1
ATOM 2395 H HD2 . TYR 147 147 ? A -14.314 17.124 4.128 1.000 1 A 76.820 1
ATOM 2396 H HE1 . TYR 147 147 ? A -11.506 21.238 4.012 1.000 1 A 76.820 1
ATOM 2397 H HE2 . TYR 147 147 ? A -15.223 19.235 3.148 1.000 1 A 76.820 1
ATOM 2398 H HH . TYR 147 147 ? A -13.319 22.256 3.072 1.000 1 A 76.820 1
ATOM 2399 N N . SER 148 148 ? A -10.647 13.805 5.392 1.000 1 A 79.390 1
ATOM 2400 C CA . SER 148 148 ? A -10.010 12.694 6.091 1.000 1 A 79.390 1
ATOM 2401 C C . SER 148 148 ? A -8.785 12.182 5.325 1.000 1 A 79.390 1
ATOM 2402 O O . SER 148 148 ? A -7.723 11.966 5.918 1.000 1 A 79.390 1
ATOM 2403 C CB . SER 148 148 ? A -11.043 11.586 6.333 1.000 1 A 79.390 1
ATOM 2404 O OG . SER 148 148 ? A -11.356 10.882 5.151 1.000 1 A 79.390 1
ATOM 2405 H H . SER 148 148 ? A -11.617 13.704 5.129 1.000 1 A 79.390 1
ATOM 2406 H HA . SER 148 148 ? A -9.671 13.053 7.063 1.000 1 A 79.390 1
ATOM 2407 H HB2 . SER 148 148 ? A -11.953 12.017 6.752 1.000 1 A 79.390 1
ATOM 2408 H HB3 . SER 148 148 ? A -10.635 10.878 7.054 1.000 1 A 79.390 1
ATOM 2409 H HG . SER 148 148 ? A -11.824 11.453 4.537 1.000 1 A 79.390 1
ATOM 2410 N N . VAL 149 149 ? A -8.877 12.085 3.996 1.000 1 A 78.250 1
ATOM 2411 C CA . VAL 149 149 ? A -7.768 11.663 3.132 1.000 1 A 78.250 1
ATOM 2412 C C . VAL 149 149 ? A -6.635 12.683 3.164 1.000 1 A 78.250 1
ATOM 2413 O O . VAL 149 149 ? A -5.492 12.328 3.454 1.000 1 A 78.250 1
ATOM 2414 C CB . VAL 149 149 ? A -8.262 11.407 1.697 1.000 1 A 78.250 1
ATOM 2415 C CG1 . VAL 149 149 ? A -7.101 11.018 0.774 1.000 1 A 78.250 1
ATOM 2416 C CG2 . VAL 149 149 ? A -9.310 10.291 1.713 1.000 1 A 78.250 1
ATOM 2417 H H . VAL 149 149 ? A -9.789 12.217 3.583 1.000 1 A 78.250 1
ATOM 2418 H HA . VAL 149 149 ? A -7.367 10.725 3.516 1.000 1 A 78.250 1
ATOM 2419 H HB . VAL 149 149 ? A -8.722 12.313 1.303 1.000 1 A 78.250 1
ATOM 2420 H HG11 . VAL 149 149 ? A -7.479 10.679 -0.190 1.000 1 A 78.250 1
ATOM 2421 H HG12 . VAL 149 149 ? A -6.467 11.886 0.592 1.000 1 A 78.250 1
ATOM 2422 H HG13 . VAL 149 149 ? A -6.513 10.216 1.220 1.000 1 A 78.250 1
ATOM 2423 H HG21 . VAL 149 149 ? A -8.963 9.454 2.319 1.000 1 A 78.250 1
ATOM 2424 H HG22 . VAL 149 149 ? A -10.241 10.649 2.153 1.000 1 A 78.250 1
ATOM 2425 H HG23 . VAL 149 149 ? A -9.532 9.945 0.703 1.000 1 A 78.250 1
ATOM 2426 N N . ILE 150 150 ? A -6.940 13.967 2.954 1.000 1 A 77.860 1
ATOM 2427 C CA . ILE 150 150 ? A -5.936 15.042 2.976 1.000 1 A 77.860 1
ATOM 2428 C C . ILE 150 150 ? A -5.237 15.116 4.337 1.000 1 A 77.860 1
ATOM 2429 O O . ILE 150 150 ? A -4.019 15.292 4.380 1.000 1 A 77.860 1
ATOM 2430 C CB . ILE 150 150 ? A -6.581 16.394 2.593 1.000 1 A 77.860 1
ATOM 2431 C CG1 . ILE 150 150 ? A -6.977 16.382 1.099 1.000 1 A 77.860 1
ATOM 2432 C CG2 . ILE 150 150 ? A -5.628 17.580 2.869 1.000 1 A 77.860 1
ATOM 2433 C CD1 . ILE 150 150 ? A -7.844 17.577 0.682 1.000 1 A 77.860 1
ATOM 2434 H H . ILE 150 150 ? A -7.900 14.198 2.745 1.000 1 A 77.860 1
ATOM 2435 H HA . ILE 150 150 ? A -5.169 14.806 2.239 1.000 1 A 77.860 1
ATOM 2436 H HB . ILE 150 150 ? A -7.480 16.530 3.196 1.000 1 A 77.860 1
ATOM 2437 H HG12 . ILE 150 150 ? A -7.538 15.475 0.871 1.000 1 A 77.860 1
ATOM 2438 H HG13 . ILE 150 150 ? A -6.077 16.366 0.484 1.000 1 A 77.860 1
ATOM 2439 H HG21 . ILE 150 150 ? A -6.105 18.519 2.588 1.000 1 A 77.860 1
ATOM 2440 H HG22 . ILE 150 150 ? A -5.400 17.645 3.933 1.000 1 A 77.860 1
ATOM 2441 H HG23 . ILE 150 150 ? A -4.707 17.454 2.301 1.000 1 A 77.860 1
ATOM 2442 H HD11 . ILE 150 150 ? A -8.708 17.657 1.342 1.000 1 A 77.860 1
ATOM 2443 H HD12 . ILE 150 150 ? A -8.188 17.427 -0.341 1.000 1 A 77.860 1
ATOM 2444 H HD13 . ILE 150 150 ? A -7.271 18.503 0.713 1.000 1 A 77.860 1
ATOM 2445 N N . PHE 151 151 ? A -5.971 14.977 5.444 1.000 1 A 80.230 1
ATOM 2446 C CA . PHE 151 151 ? A -5.393 14.985 6.788 1.000 1 A 80.230 1
ATOM 2447 C C . PHE 151 151 ? A -4.392 13.839 6.983 1.000 1 A 80.230 1
ATOM 2448 O O . PHE 151 151 ? A -3.260 14.070 7.414 1.000 1 A 80.230 1
ATOM 2449 C CB . PHE 151 151 ? A -6.516 14.919 7.830 1.000 1 A 80.230 1
ATOM 2450 C CG . PHE 151 151 ? A -6.000 14.890 9.255 1.000 1 A 80.230 1
ATOM 2451 C CD1 . PHE 151 151 ? A -5.801 13.661 9.913 1.000 1 A 80.230 1
ATOM 2452 C CD2 . PHE 151 151 ? A -5.684 16.093 9.914 1.000 1 A 80.230 1
ATOM 2453 C CE1 . PHE 151 151 ? A -5.289 13.636 11.222 1.000 1 A 80.230 1
ATOM 2454 C CE2 . PHE 151 151 ? A -5.174 16.068 11.224 1.000 1 A 80.230 1
ATOM 2455 C CZ . PHE 151 151 ? A -4.976 14.839 11.878 1.000 1 A 80.230 1
ATOM 2456 H H . PHE 151 151 ? A -6.969 14.851 5.352 1.000 1 A 80.230 1
ATOM 2457 H HA . PHE 151 151 ? A -4.847 15.917 6.934 1.000 1 A 80.230 1
ATOM 2458 H HB2 . PHE 151 151 ? A -7.166 15.785 7.708 1.000 1 A 80.230 1
ATOM 2459 H HB3 . PHE 151 151 ? A -7.123 14.030 7.655 1.000 1 A 80.230 1
ATOM 2460 H HD1 . PHE 151 151 ? A -6.045 12.734 9.415 1.000 1 A 80.230 1
ATOM 2461 H HD2 . PHE 151 151 ? A -5.843 17.039 9.418 1.000 1 A 80.230 1
ATOM 2462 H HE1 . PHE 151 151 ? A -5.151 12.692 11.728 1.000 1 A 80.230 1
ATOM 2463 H HE2 . PHE 151 151 ? A -4.945 16.992 11.735 1.000 1 A 80.230 1
ATOM 2464 H HZ . PHE 151 151 ? A -4.597 14.822 12.889 1.000 1 A 80.230 1
ATOM 2465 N N . ASN 152 152 ? A -4.773 12.615 6.608 1.000 1 A 81.900 1
ATOM 2466 C CA . ASN 152 152 ? A -3.895 11.451 6.724 1.000 1 A 81.900 1
ATOM 2467 C C . ASN 152 152 ? A -2.671 11.554 5.810 1.000 1 A 81.900 1
ATOM 2468 O O . ASN 152 152 ? A -1.576 11.174 6.219 1.000 1 A 81.900 1
ATOM 2469 C CB . ASN 152 152 ? A -4.702 10.180 6.439 1.000 1 A 81.900 1
ATOM 2470 C CG . ASN 152 152 ? A -5.571 9.809 7.624 1.000 1 A 81.900 1
ATOM 2471 O OD1 . ASN 152 152 ? A -5.087 9.510 8.704 1.000 1 A 81.900 1
ATOM 2472 N ND2 . ASN 152 152 ? A -6.870 9.818 7.470 1.000 1 A 81.900 1
ATOM 2473 H H . ASN 152 152 ? A -5.703 12.491 6.235 1.000 1 A 81.900 1
ATOM 2474 H HA . ASN 152 152 ? A -3.513 11.398 7.743 1.000 1 A 81.900 1
ATOM 2475 H HB2 . ASN 152 152 ? A -4.019 9.347 6.270 1.000 1 A 81.900 1
ATOM 2476 H HB3 . ASN 152 152 ? A -5.310 10.315 5.544 1.000 1 A 81.900 1
ATOM 2477 H HD21 . ASN 152 152 ? A -7.438 9.592 8.274 1.000 1 A 81.900 1
ATOM 2478 H HD22 . ASN 152 152 ? A -7.277 10.265 6.660 1.000 1 A 81.900 1
ATOM 2479 N N . ILE 153 153 ? A -2.825 12.122 4.614 1.000 1 A 77.220 1
ATOM 2480 C CA . ILE 153 153 ? A -1.709 12.365 3.699 1.000 1 A 77.220 1
ATOM 2481 C C . ILE 153 153 ? A -0.754 13.404 4.279 1.000 1 A 77.220 1
ATOM 2482 O O . ILE 153 153 ? A 0.441 13.142 4.350 1.000 1 A 77.220 1
ATOM 2483 C CB . ILE 153 153 ? A -2.236 12.748 2.306 1.000 1 A 77.220 1
ATOM 2484 C CG1 . ILE 153 153 ? A -2.866 11.483 1.690 1.000 1 A 77.220 1
ATOM 2485 C CG2 . ILE 153 153 ? A -1.109 13.291 1.413 1.000 1 A 77.220 1
ATOM 2486 C CD1 . ILE 153 153 ? A -3.577 11.763 0.377 1.000 1 A 77.220 1
ATOM 2487 H H . ILE 153 153 ? A -3.759 12.358 4.310 1.000 1 A 77.220 1
ATOM 2488 H HA . ILE 153 153 ? A -1.136 11.444 3.597 1.000 1 A 77.220 1
ATOM 2489 H HB . ILE 153 153 ? A -2.997 13.522 2.411 1.000 1 A 77.220 1
ATOM 2490 H HG12 . ILE 153 153 ? A -3.599 11.052 2.372 1.000 1 A 77.220 1
ATOM 2491 H HG13 . ILE 153 153 ? A -2.097 10.729 1.525 1.000 1 A 77.220 1
ATOM 2492 H HG21 . ILE 153 153 ? A -0.675 14.191 1.849 1.000 1 A 77.220 1
ATOM 2493 H HG22 . ILE 153 153 ? A -0.320 12.543 1.328 1.000 1 A 77.220 1
ATOM 2494 H HG23 . ILE 153 153 ? A -1.478 13.547 0.420 1.000 1 A 77.220 1
ATOM 2495 H HD11 . ILE 153 153 ? A -2.843 11.983 -0.398 1.000 1 A 77.220 1
ATOM 2496 H HD12 . ILE 153 153 ? A -4.263 12.601 0.506 1.000 1 A 77.220 1
ATOM 2497 H HD13 . ILE 153 153 ? A -4.138 10.876 0.081 1.000 1 A 77.220 1
ATOM 2498 N N . LYS 154 154 ? A -1.250 14.541 4.780 1.000 1 A 79.870 1
ATOM 2499 C CA . LYS 154 154 ? A -0.399 15.543 5.444 1.000 1 A 79.870 1
ATOM 2500 C C . LYS 154 154 ? A 0.377 14.942 6.614 1.000 1 A 79.870 1
ATOM 2501 O O . LYS 154 154 ? A 1.566 15.218 6.767 1.000 1 A 79.870 1
ATOM 2502 C CB . LYS 154 154 ? A -1.249 16.720 5.933 1.000 1 A 79.870 1
ATOM 2503 C CG . LYS 154 154 ? A -1.638 17.661 4.788 1.000 1 A 79.870 1
ATOM 2504 C CD . LYS 154 154 ? A -2.450 18.834 5.345 1.000 1 A 79.870 1
ATOM 2505 C CE . LYS 154 154 ? A -2.750 19.836 4.228 1.000 1 A 79.870 1
ATOM 2506 N NZ . LYS 154 154 ? A -3.448 21.038 4.751 1.000 1 A 79.870 1
ATOM 2507 H H . LYS 154 154 ? A -2.244 14.704 4.708 1.000 1 A 79.870 1
ATOM 2508 H HA . LYS 154 154 ? A 0.347 15.902 4.735 1.000 1 A 79.870 1
ATOM 2509 H HB2 . LYS 154 154 ? A -2.144 16.349 6.432 1.000 1 A 79.870 1
ATOM 2510 H HB3 . LYS 154 154 ? A -0.667 17.290 6.658 1.000 1 A 79.870 1
ATOM 2511 H HG2 . LYS 154 154 ? A -2.224 17.128 4.039 1.000 1 A 79.870 1
ATOM 2512 H HG3 . LYS 154 154 ? A -0.732 18.041 4.317 1.000 1 A 79.870 1
ATOM 2513 H HD2 . LYS 154 154 ? A -1.874 19.325 6.129 1.000 1 A 79.870 1
ATOM 2514 H HD3 . LYS 154 154 ? A -3.382 18.456 5.766 1.000 1 A 79.870 1
ATOM 2515 H HE2 . LYS 154 154 ? A -3.358 19.340 3.471 1.000 1 A 79.870 1
ATOM 2516 H HE3 . LYS 154 154 ? A -1.808 20.123 3.759 1.000 1 A 79.870 1
ATOM 2517 H HZ1 . LYS 154 154 ? A -3.636 21.689 4.002 1.000 1 A 79.870 1
ATOM 2518 H HZ2 . LYS 154 154 ? A -2.876 21.504 5.441 1.000 1 A 79.870 1
ATOM 2519 H HZ3 . LYS 154 154 ? A -4.325 20.778 5.178 1.000 1 A 79.870 1
ATOM 2520 N N . TYR 155 155 ? A -0.269 14.091 7.411 1.000 1 A 81.590 1
ATOM 2521 C CA . TYR 155 155 ? A 0.406 13.384 8.494 1.000 1 A 81.590 1
ATOM 2522 C C . TYR 155 155 ? A 1.478 12.427 7.953 1.000 1 A 81.590 1
ATOM 2523 O O . TYR 155 155 ? A 2.629 12.507 8.384 1.000 1 A 81.590 1
ATOM 2524 C CB . TYR 155 155 ? A -0.619 12.665 9.374 1.000 1 A 81.590 1
ATOM 2525 C CG . TYR 155 155 ? A 0.018 12.023 10.589 1.000 1 A 81.590 1
ATOM 2526 C CD1 . TYR 155 155 ? A 0.482 10.699 10.511 1.000 1 A 81.590 1
ATOM 2527 C CD2 . TYR 155 155 ? A 0.186 12.759 11.781 1.000 1 A 81.590 1
ATOM 2528 C CE1 . TYR 155 155 ? A 1.093 10.107 11.627 1.000 1 A 81.590 1
ATOM 2529 C CE2 . TYR 155 155 ? A 0.784 12.160 12.911 1.000 1 A 81.590 1
ATOM 2530 C CZ . TYR 155 155 ? A 1.220 10.820 12.835 1.000 1 A 81.590 1
ATOM 2531 O OH . TYR 155 155 ? A 1.706 10.147 13.912 1.000 1 A 81.590 1
ATOM 2532 H H . TYR 155 155 ? A -1.253 13.928 7.252 1.000 1 A 81.590 1
ATOM 2533 H HA . TYR 155 155 ? A 0.912 14.121 9.117 1.000 1 A 81.590 1
ATOM 2534 H HB2 . TYR 155 155 ? A -1.367 13.384 9.708 1.000 1 A 81.590 1
ATOM 2535 H HB3 . TYR 155 155 ? A -1.136 11.902 8.791 1.000 1 A 81.590 1
ATOM 2536 H HD1 . TYR 155 155 ? A 0.376 10.137 9.594 1.000 1 A 81.590 1
ATOM 2537 H HD2 . TYR 155 155 ? A -0.154 13.783 11.832 1.000 1 A 81.590 1
ATOM 2538 H HE1 . TYR 155 155 ? A 1.450 9.089 11.577 1.000 1 A 81.590 1
ATOM 2539 H HE2 . TYR 155 155 ? A 0.888 12.711 13.834 1.000 1 A 81.590 1
ATOM 2540 H HH . TYR 155 155 ? A 1.941 10.646 14.698 1.000 1 A 81.590 1
ATOM 2541 N N . PHE 156 156 ? A 1.144 11.593 6.962 1.000 1 A 80.410 1
ATOM 2542 C CA . PHE 156 156 ? A 2.090 10.696 6.295 1.000 1 A 80.410 1
ATOM 2543 C C . PHE 156 156 ? A 3.319 11.453 5.779 1.000 1 A 80.410 1
ATOM 2544 O O . PHE 156 156 ? A 4.447 11.068 6.075 1.000 1 A 80.410 1
ATOM 2545 C CB . PHE 156 156 ? A 1.383 9.950 5.150 1.000 1 A 80.410 1
ATOM 2546 C CG . PHE 156 156 ? A 2.295 8.991 4.412 1.000 1 A 80.410 1
ATOM 2547 C CD1 . PHE 156 156 ? A 3.115 9.455 3.364 1.000 1 A 80.410 1
ATOM 2548 C CD2 . PHE 156 156 ? A 2.362 7.643 4.806 1.000 1 A 80.410 1
ATOM 2549 C CE1 . PHE 156 156 ? A 4.045 8.591 2.761 1.000 1 A 80.410 1
ATOM 2550 C CE2 . PHE 156 156 ? A 3.286 6.777 4.198 1.000 1 A 80.410 1
ATOM 2551 C CZ . PHE 156 156 ? A 4.143 7.261 3.197 1.000 1 A 80.410 1
ATOM 2552 H H . PHE 156 156 ? A 0.188 11.588 6.636 1.000 1 A 80.410 1
ATOM 2553 H HA . PHE 156 156 ? A 2.446 9.962 7.019 1.000 1 A 80.410 1
ATOM 2554 H HB2 . PHE 156 156 ? A 0.987 10.667 4.431 1.000 1 A 80.410 1
ATOM 2555 H HB3 . PHE 156 156 ? A 0.539 9.394 5.559 1.000 1 A 80.410 1
ATOM 2556 H HD1 . PHE 156 156 ? A 3.051 10.482 3.039 1.000 1 A 80.410 1
ATOM 2557 H HD2 . PHE 156 156 ? A 1.708 7.272 5.581 1.000 1 A 80.410 1
ATOM 2558 H HE1 . PHE 156 156 ? A 4.695 8.955 1.979 1.000 1 A 80.410 1
ATOM 2559 H HE2 . PHE 156 156 ? A 3.348 5.742 4.500 1.000 1 A 80.410 1
ATOM 2560 H HZ . PHE 156 156 ? A 4.883 6.606 2.760 1.000 1 A 80.410 1
ATOM 2561 N N . LEU 157 157 ? A 3.113 12.569 5.078 1.000 1 A 77.170 1
ATOM 2562 C CA . LEU 157 157 ? A 4.191 13.403 4.552 1.000 1 A 77.170 1
ATOM 2563 C C . LEU 157 157 ? A 5.052 14.003 5.652 1.000 1 A 77.170 1
ATOM 2564 O O . LEU 157 157 ? A 6.271 14.000 5.525 1.000 1 A 77.170 1
ATOM 2565 C CB . LEU 157 157 ? A 3.610 14.530 3.695 1.000 1 A 77.170 1
ATOM 2566 C CG . LEU 157 157 ? A 2.928 14.037 2.418 1.000 1 A 77.170 1
ATOM 2567 C CD1 . LEU 157 157 ? A 2.420 15.238 1.649 1.000 1 A 77.170 1
ATOM 2568 C CD2 . LEU 157 157 ? A 3.863 13.252 1.520 1.000 1 A 77.170 1
ATOM 2569 H H . LEU 157 157 ? A 2.160 12.829 4.869 1.000 1 A 77.170 1
ATOM 2570 H HA . LEU 157 157 ? A 4.857 12.787 3.947 1.000 1 A 77.170 1
ATOM 2571 H HB2 . LEU 157 157 ? A 2.890 15.093 4.288 1.000 1 A 77.170 1
ATOM 2572 H HB3 . LEU 157 157 ? A 4.419 15.204 3.415 1.000 1 A 77.170 1
ATOM 2573 H HG . LEU 157 157 ? A 2.083 13.390 2.653 1.000 1 A 77.170 1
ATOM 2574 H HD11 . LEU 157 157 ? A 1.785 14.868 0.844 1.000 1 A 77.170 1
ATOM 2575 H HD12 . LEU 157 157 ? A 1.822 15.871 2.304 1.000 1 A 77.170 1
ATOM 2576 H HD13 . LEU 157 157 ? A 3.249 15.814 1.237 1.000 1 A 77.170 1
ATOM 2577 H HD21 . LEU 157 157 ? A 4.137 12.303 1.981 1.000 1 A 77.170 1
ATOM 2578 H HD22 . LEU 157 157 ? A 4.763 13.835 1.325 1.000 1 A 77.170 1
ATOM 2579 H HD23 . LEU 157 157 ? A 3.334 13.032 0.593 1.000 1 A 77.170 1
ATOM 2580 N N . SER 158 158 ? A 4.451 14.469 6.750 1.000 1 A 80.320 1
ATOM 2581 C CA . SER 158 158 ? A 5.231 14.991 7.874 1.000 1 A 80.320 1
ATOM 2582 C C . SER 158 158 ? A 6.168 13.923 8.449 1.000 1 A 80.320 1
ATOM 2583 O O . SER 158 158 ? A 7.338 14.203 8.698 1.000 1 A 80.320 1
ATOM 2584 C CB . SER 158 158 ? A 4.320 15.590 8.948 1.000 1 A 80.320 1
ATOM 2585 O OG . SER 158 158 ? A 3.635 14.602 9.696 1.000 1 A 80.320 1
ATOM 2586 H H . SER 158 158 ? A 3.442 14.486 6.787 1.000 1 A 80.320 1
ATOM 2587 H HA . SER 158 158 ? A 5.863 15.795 7.496 1.000 1 A 80.320 1
ATOM 2588 H HB2 . SER 158 158 ? A 3.606 16.266 8.477 1.000 1 A 80.320 1
ATOM 2589 H HB3 . SER 158 158 ? A 4.934 16.174 9.634 1.000 1 A 80.320 1
ATOM 2590 H HG . SER 158 158 ? A 3.248 13.954 9.103 1.000 1 A 80.320 1
ATOM 2591 N N . LYS 159 159 ? A 5.703 12.672 8.573 1.000 1 A 78.720 1
ATOM 2592 C CA . LYS 159 159 ? A 6.523 11.549 9.047 1.000 1 A 78.720 1
ATOM 2593 C C . LYS 159 159 ? A 7.566 11.106 8.018 1.000 1 A 78.720 1
ATOM 2594 O O . LYS 159 159 ? A 8.720 10.892 8.386 1.000 1 A 78.720 1
ATOM 2595 C CB . LYS 159 159 ? A 5.618 10.379 9.460 1.000 1 A 78.720 1
ATOM 2596 C CG . LYS 159 159 ? A 4.655 10.675 10.626 1.000 1 A 78.720 1
ATOM 2597 C CD . LYS 159 159 ? A 5.253 11.448 11.818 1.000 1 A 78.720 1
ATOM 2598 C CE . LYS 159 159 ? A 4.365 11.216 13.045 1.000 1 A 78.720 1
ATOM 2599 N NZ . LYS 159 159 ? A 5.042 11.445 14.344 1.000 1 A 78.720 1
ATOM 2600 H H . LYS 159 159 ? A 4.738 12.496 8.331 1.000 1 A 78.720 1
ATOM 2601 H HA . LYS 159 159 ? A 7.098 11.869 9.916 1.000 1 A 78.720 1
ATOM 2602 H HB2 . LYS 159 159 ? A 5.030 10.053 8.602 1.000 1 A 78.720 1
ATOM 2603 H HB3 . LYS 159 159 ? A 6.254 9.542 9.745 1.000 1 A 78.720 1
ATOM 2604 H HG2 . LYS 159 159 ? A 4.282 9.713 10.977 1.000 1 A 78.720 1
ATOM 2605 H HG3 . LYS 159 159 ? A 3.797 11.235 10.254 1.000 1 A 78.720 1
ATOM 2606 H HD2 . LYS 159 159 ? A 6.268 11.110 12.027 1.000 1 A 78.720 1
ATOM 2607 H HD3 . LYS 159 159 ? A 5.289 12.513 11.585 1.000 1 A 78.720 1
ATOM 2608 H HE2 . LYS 159 159 ? A 4.043 10.175 13.025 1.000 1 A 78.720 1
ATOM 2609 H HE3 . LYS 159 159 ? A 3.477 11.843 12.963 1.000 1 A 78.720 1
ATOM 2610 H HZ1 . LYS 159 159 ? A 5.874 10.873 14.387 1.000 1 A 78.720 1
ATOM 2611 H HZ2 . LYS 159 159 ? A 5.316 12.408 14.478 1.000 1 A 78.720 1
ATOM 2612 H HZ3 . LYS 159 159 ? A 4.445 11.152 15.103 1.000 1 A 78.720 1
ATOM 2613 N N . PHE 160 160 ? A 7.192 11.026 6.740 1.000 1 A 75.310 1
ATOM 2614 C CA . PHE 160 160 ? A 8.104 10.687 5.645 1.000 1 A 75.310 1
ATOM 2615 C C . PHE 160 160 ? A 9.257 11.692 5.549 1.000 1 A 75.310 1
ATOM 2616 O O . PHE 160 160 ? A 10.423 11.295 5.562 1.000 1 A 75.310 1
ATOM 2617 C CB . PHE 160 160 ? A 7.323 10.617 4.325 1.000 1 A 75.310 1
ATOM 2618 C CG . PHE 160 160 ? A 8.183 10.189 3.154 1.000 1 A 75.310 1
ATOM 2619 C CD1 . PHE 160 160 ? A 8.798 11.149 2.327 1.000 1 A 75.310 1
ATOM 2620 C CD2 . PHE 160 160 ? A 8.405 8.819 2.920 1.000 1 A 75.310 1
ATOM 2621 C CE1 . PHE 160 160 ? A 9.622 10.738 1.266 1.000 1 A 75.310 1
ATOM 2622 C CE2 . PHE 160 160 ? A 9.243 8.410 1.870 1.000 1 A 75.310 1
ATOM 2623 C CZ . PHE 160 160 ? A 9.844 9.368 1.040 1.000 1 A 75.310 1
ATOM 2624 H H . PHE 160 160 ? A 6.221 11.192 6.518 1.000 1 A 75.310 1
ATOM 2625 H HA . PHE 160 160 ? A 8.538 9.707 5.842 1.000 1 A 75.310 1
ATOM 2626 H HB2 . PHE 160 160 ? A 6.504 9.906 4.435 1.000 1 A 75.310 1
ATOM 2627 H HB3 . PHE 160 160 ? A 6.884 11.591 4.109 1.000 1 A 75.310 1
ATOM 2628 H HD1 . PHE 160 160 ? A 8.640 12.203 2.504 1.000 1 A 75.310 1
ATOM 2629 H HD2 . PHE 160 160 ? A 7.939 8.082 3.557 1.000 1 A 75.310 1
ATOM 2630 H HE1 . PHE 160 160 ? A 10.091 11.474 0.629 1.000 1 A 75.310 1
ATOM 2631 H HE2 . PHE 160 160 ? A 9.436 7.361 1.702 1.000 1 A 75.310 1
ATOM 2632 H HZ . PHE 160 160 ? A 10.480 9.050 0.227 1.000 1 A 75.310 1
ATOM 2633 N N . CYS 161 161 ? A 8.937 12.989 5.536 1.000 1 A 73.870 1
ATOM 2634 C CA . CYS 161 161 ? A 9.916 14.068 5.542 1.000 1 A 73.870 1
ATOM 2635 C C . CYS 161 161 ? A 10.802 13.991 6.785 1.000 1 A 73.870 1
ATOM 2636 O O . CYS 161 161 ? A 12.017 13.949 6.638 1.000 1 A 73.870 1
ATOM 2637 C CB . CYS 161 161 ? A 9.194 15.418 5.452 1.000 1 A 73.870 1
ATOM 2638 S SG . CYS 161 161 ? A 8.550 15.648 3.769 1.000 1 A 73.870 1
ATOM 2639 H H . CYS 161 161 ? A 7.961 13.249 5.508 1.000 1 A 73.870 1
ATOM 2640 H HA . CYS 161 161 ? A 10.569 13.964 4.676 1.000 1 A 73.870 1
ATOM 2641 H HB2 . CYS 161 161 ? A 9.894 16.223 5.678 1.000 1 A 73.870 1
ATOM 2642 H HB3 . CYS 161 161 ? A 8.378 15.453 6.174 1.000 1 A 73.870 1
ATOM 2643 H HG . CYS 161 161 ? A 7.920 16.806 3.983 1.000 1 A 73.870 1
ATOM 2644 N N . ASN 162 162 ? A 10.233 13.898 7.992 1.000 1 A 71.070 1
ATOM 2645 C CA . ASN 162 162 ? A 11.025 13.819 9.224 1.000 1 A 71.070 1
ATOM 2646 C C . ASN 162 162 ? A 12.033 12.664 9.191 1.000 1 A 71.070 1
ATOM 2647 O O . ASN 162 162 ? A 13.196 12.858 9.533 1.000 1 A 71.070 1
ATOM 2648 C CB . ASN 162 162 ? A 10.085 13.683 10.432 1.000 1 A 71.070 1
ATOM 2649 C CG . ASN 162 162 ? A 9.389 14.981 10.795 1.000 1 A 71.070 1
ATOM 2650 O OD1 . ASN 162 162 ? A 9.788 16.070 10.425 1.000 1 A 71.070 1
ATOM 2651 N ND2 . ASN 162 162 ? A 8.335 14.909 11.574 1.000 1 A 71.070 1
ATOM 2652 H H . ASN 162 162 ? A 9.227 13.946 8.069 1.000 1 A 71.070 1
ATOM 2653 H HA . ASN 162 162 ? A 11.608 14.734 9.329 1.000 1 A 71.070 1
ATOM 2654 H HB2 . ASN 162 162 ? A 9.340 12.912 10.235 1.000 1 A 71.070 1
ATOM 2655 H HB3 . ASN 162 162 ? A 10.666 13.379 11.303 1.000 1 A 71.070 1
ATOM 2656 H HD21 . ASN 162 162 ? A 7.982 14.010 11.867 1.000 1 A 71.070 1
ATOM 2657 H HD22 . ASN 162 162 ? A 7.889 15.791 11.782 1.000 1 A 71.070 1
ATOM 2658 N N . HIS 163 163 ? A 11.624 11.481 8.730 1.000 1 A 71.920 1
ATOM 2659 C CA . HIS 163 163 ? A 12.519 10.334 8.631 1.000 1 A 71.920 1
ATOM 2660 C C . HIS 163 163 ? A 13.594 10.513 7.542 1.000 1 A 71.920 1
ATOM 2661 O O . HIS 163 163 ? A 14.764 10.204 7.774 1.000 1 A 71.920 1
ATOM 2662 C CB . HIS 163 163 ? A 11.667 9.080 8.418 1.000 1 A 71.920 1
ATOM 2663 C CG . HIS 163 163 ? A 12.501 7.837 8.319 1.000 1 A 71.920 1
ATOM 2664 N ND1 . HIS 163 163 ? A 12.917 7.259 7.149 1.000 1 A 71.920 1
ATOM 2665 C CD2 . HIS 163 163 ? A 12.990 7.080 9.350 1.000 1 A 71.920 1
ATOM 2666 C CE1 . HIS 163 163 ? A 13.609 6.160 7.464 1.000 1 A 71.920 1
ATOM 2667 N NE2 . HIS 163 163 ? A 13.722 6.025 8.791 1.000 1 A 71.920 1
ATOM 2668 H H . HIS 163 163 ? A 10.655 11.366 8.468 1.000 1 A 71.920 1
ATOM 2669 H HA . HIS 163 163 ? A 13.043 10.223 9.581 1.000 1 A 71.920 1
ATOM 2670 H HB2 . HIS 163 163 ? A 10.973 8.971 9.251 1.000 1 A 71.920 1
ATOM 2671 H HB3 . HIS 163 163 ? A 11.082 9.190 7.504 1.000 1 A 71.920 1
ATOM 2672 H HD1 . HIS 163 163 ? A 12.628 7.546 6.224 1.000 1 A 71.920 1
ATOM 2673 H HD2 . HIS 163 163 ? A 12.834 7.266 10.403 1.000 1 A 71.920 1
ATOM 2674 H HE1 . HIS 163 163 ? A 13.940 5.428 6.742 1.000 1 A 71.920 1
ATOM 2675 N N . MET 164 164 ? A 13.237 11.037 6.364 1.000 1 A 71.130 1
ATOM 2676 C CA . MET 164 164 ? A 14.199 11.276 5.281 1.000 1 A 71.130 1
ATOM 2677 C C . MET 164 164 ? A 15.198 12.389 5.631 1.000 1 A 71.130 1
ATOM 2678 O O . MET 164 164 ? A 16.400 12.185 5.461 1.000 1 A 71.130 1
ATOM 2679 C CB . MET 164 164 ? A 13.452 11.562 3.972 1.000 1 A 71.130 1
ATOM 2680 C CG . MET 164 164 ? A 14.415 11.597 2.778 1.000 1 A 71.130 1
ATOM 2681 S SD . MET 164 164 ? A 13.618 11.935 1.188 1.000 1 A 71.130 1
ATOM 2682 C CE . MET 164 164 ? A 12.936 10.304 0.811 1.000 1 A 71.130 1
ATOM 2683 H H . MET 164 164 ? A 12.272 11.295 6.216 1.000 1 A 71.130 1
ATOM 2684 H HA . MET 164 164 ? A 14.778 10.363 5.138 1.000 1 A 71.130 1
ATOM 2685 H HB2 . MET 164 164 ? A 12.714 10.777 3.804 1.000 1 A 71.130 1
ATOM 2686 H HB3 . MET 164 164 ? A 12.931 12.516 4.046 1.000 1 A 71.130 1
ATOM 2687 H HG2 . MET 164 164 ? A 15.148 12.386 2.947 1.000 1 A 71.130 1
ATOM 2688 H HG3 . MET 164 164 ? A 14.949 10.649 2.711 1.000 1 A 71.130 1
ATOM 2689 H HE1 . MET 164 164 ? A 12.358 10.361 -0.112 1.000 1 A 71.130 1
ATOM 2690 H HE2 . MET 164 164 ? A 12.305 9.970 1.634 1.000 1 A 71.130 1
ATOM 2691 H HE3 . MET 164 164 ? A 13.749 9.592 0.667 1.000 1 A 71.130 1
ATOM 2692 N N . PHE 165 165 ? A 14.733 13.511 6.194 1.000 1 A 63.520 1
ATOM 2693 C CA . PHE 165 165 ? A 15.586 14.593 6.697 1.000 1 A 63.520 1
ATOM 2694 C C . PHE 165 165 ? A 16.511 14.098 7.810 1.000 1 A 63.520 1
ATOM 2695 O O . PHE 165 165 ? A 17.709 14.380 7.793 1.000 1 A 63.520 1
ATOM 2696 C CB . PHE 165 165 ? A 14.744 15.777 7.203 1.000 1 A 63.520 1
ATOM 2697 C CG . PHE 165 165 ? A 14.210 16.683 6.109 1.000 1 A 63.520 1
ATOM 2698 C CD1 . PHE 165 165 ? A 15.108 17.431 5.326 1.000 1 A 63.520 1
ATOM 2699 C CD2 . PHE 165 165 ? A 12.827 16.819 5.888 1.000 1 A 63.520 1
ATOM 2700 C CE1 . PHE 165 165 ? A 14.628 18.271 4.305 1.000 1 A 63.520 1
ATOM 2701 C CE2 . PHE 165 165 ? A 12.346 17.628 4.844 1.000 1 A 63.520 1
ATOM 2702 C CZ . PHE 165 165 ? A 13.248 18.354 4.051 1.000 1 A 63.520 1
ATOM 2703 H H . PHE 165 165 ? A 13.734 13.618 6.299 1.000 1 A 63.520 1
ATOM 2704 H HA . PHE 165 165 ? A 16.217 14.945 5.880 1.000 1 A 63.520 1
ATOM 2705 H HB2 . PHE 165 165 ? A 13.925 15.408 7.822 1.000 1 A 63.520 1
ATOM 2706 H HB3 . PHE 165 165 ? A 15.372 16.396 7.844 1.000 1 A 63.520 1
ATOM 2707 H HD1 . PHE 165 165 ? A 16.171 17.358 5.500 1.000 1 A 63.520 1
ATOM 2708 H HD2 . PHE 165 165 ? A 12.124 16.328 6.545 1.000 1 A 63.520 1
ATOM 2709 H HE1 . PHE 165 165 ? A 15.322 18.836 3.701 1.000 1 A 63.520 1
ATOM 2710 H HE2 . PHE 165 165 ? A 11.285 17.721 4.666 1.000 1 A 63.520 1
ATOM 2711 H HZ . PHE 165 165 ? A 12.883 18.988 3.257 1.000 1 A 63.520 1
ATOM 2712 N N . PHE 166 166 ? A 15.991 13.303 8.750 1.000 1 A 59.600 1
ATOM 2713 C CA . PHE 166 166 ? A 16.809 12.710 9.803 1.000 1 A 59.600 1
ATOM 2714 C C . PHE 166 166 ? A 17.916 11.823 9.220 1.000 1 A 59.600 1
ATOM 2715 O O . PHE 166 166 ? A 19.067 11.924 9.639 1.000 1 A 59.600 1
ATOM 2716 C CB . PHE 166 166 ? A 15.912 11.943 10.779 1.000 1 A 59.600 1
ATOM 2717 C CG . PHE 166 166 ? A 16.644 11.453 12.007 1.000 1 A 59.600 1
ATOM 2718 C CD1 . PHE 166 166 ? A 17.110 10.128 12.082 1.000 1 A 59.600 1
ATOM 2719 C CD2 . PHE 166 166 ? A 16.867 12.339 13.077 1.000 1 A 59.600 1
ATOM 2720 C CE1 . PHE 166 166 ? A 17.796 9.691 13.228 1.000 1 A 59.600 1
ATOM 2721 C CE2 . PHE 166 166 ? A 17.555 11.901 14.221 1.000 1 A 59.600 1
ATOM 2722 C CZ . PHE 166 166 ? A 18.021 10.578 14.296 1.000 1 A 59.600 1
ATOM 2723 H H . PHE 166 166 ? A 14.995 13.132 8.759 1.000 1 A 59.600 1
ATOM 2724 H HA . PHE 166 166 ? A 17.297 13.516 10.353 1.000 1 A 59.600 1
ATOM 2725 H HB2 . PHE 166 166 ? A 15.447 11.099 10.268 1.000 1 A 59.600 1
ATOM 2726 H HB3 . PHE 166 166 ? A 15.119 12.608 11.120 1.000 1 A 59.600 1
ATOM 2727 H HD1 . PHE 166 166 ? A 16.939 9.446 11.262 1.000 1 A 59.600 1
ATOM 2728 H HD2 . PHE 166 166 ? A 16.511 13.357 13.022 1.000 1 A 59.600 1
ATOM 2729 H HE1 . PHE 166 166 ? A 18.154 8.673 13.292 1.000 1 A 59.600 1
ATOM 2730 H HE2 . PHE 166 166 ? A 17.730 12.582 15.041 1.000 1 A 59.600 1
ATOM 2731 H HZ . PHE 166 166 ? A 18.552 10.244 15.175 1.000 1 A 59.600 1
ATOM 2732 N N . ARG 167 167 ? A 17.620 11.017 8.191 1.000 1 A 63.970 1
ATOM 2733 C CA . ARG 167 167 ? A 18.642 10.215 7.502 1.000 1 A 63.970 1
ATOM 2734 C C . ARG 167 167 ? A 19.674 11.055 6.768 1.000 1 A 63.970 1
ATOM 2735 O O . ARG 167 167 ? A 20.858 10.753 6.898 1.000 1 A 63.970 1
ATOM 2736 C CB . ARG 167 167 ? A 18.014 9.240 6.508 1.000 1 A 63.970 1
ATOM 2737 C CG . ARG 167 167 ? A 17.380 8.046 7.214 1.000 1 A 63.970 1
ATOM 2738 C CD . ARG 167 167 ? A 17.092 6.949 6.185 1.000 1 A 63.970 1
ATOM 2739 N NE . ARG 167 167 ? A 17.790 5.714 6.569 1.000 1 A 63.970 1
ATOM 2740 C CZ . ARG 167 167 ? A 17.237 4.546 6.783 1.000 1 A 63.970 1
ATOM 2741 N NH1 . ARG 167 167 ? A 16.051 4.247 6.354 1.000 1 A 63.970 1
ATOM 2742 N NH2 . ARG 167 167 ? A 17.889 3.660 7.457 1.000 1 A 63.970 1
ATOM 2743 H H . ARG 167 167 ? A 16.660 10.977 7.877 1.000 1 A 63.970 1
ATOM 2744 H HA . ARG 167 167 ? A 19.208 9.657 8.248 1.000 1 A 63.970 1
ATOM 2745 H HB2 . ARG 167 167 ? A 18.807 8.871 5.858 1.000 1 A 63.970 1
ATOM 2746 H HB3 . ARG 167 167 ? A 17.272 9.746 5.890 1.000 1 A 63.970 1
ATOM 2747 H HG2 . ARG 167 167 ? A 16.453 8.342 7.704 1.000 1 A 63.970 1
ATOM 2748 H HG3 . ARG 167 167 ? A 18.064 7.677 7.978 1.000 1 A 63.970 1
ATOM 2749 H HD2 . ARG 167 167 ? A 17.426 7.253 5.193 1.000 1 A 63.970 1
ATOM 2750 H HD3 . ARG 167 167 ? A 16.013 6.806 6.140 1.000 1 A 63.970 1
ATOM 2751 H HE . ARG 167 167 ? A 18.758 5.821 6.837 1.000 1 A 63.970 1
ATOM 2752 H HH11 . ARG 167 167 ? A 15.550 3.451 6.720 1.000 1 A 63.970 1
ATOM 2753 H HH12 . ARG 167 167 ? A 15.592 4.917 5.753 1.000 1 A 63.970 1
ATOM 2754 H HH21 . ARG 167 167 ? A 18.790 3.886 7.852 1.000 1 A 63.970 1
ATOM 2755 H HH22 . ARG 167 167 ? A 17.440 2.782 7.678 1.000 1 A 63.970 1
ATOM 2756 N N . SER 168 168 ? A 19.262 12.079 6.019 1.000 1 A 60.500 1
ATOM 2757 C CA . SER 168 168 ? A 20.218 12.959 5.340 1.000 1 A 60.500 1
ATOM 2758 C C . SER 168 168 ? A 21.139 13.648 6.345 1.000 1 A 60.500 1
ATOM 2759 O O . SER 168 168 ? A 22.343 13.700 6.116 1.000 1 A 60.500 1
ATOM 2760 C CB . SER 168 168 ? A 19.524 13.984 4.437 1.000 1 A 60.500 1
ATOM 2761 O OG . SER 168 168 ? A 18.541 14.746 5.107 1.000 1 A 60.500 1
ATOM 2762 H H . SER 168 168 ? A 18.274 12.270 5.932 1.000 1 A 60.500 1
ATOM 2763 H HA . SER 168 168 ? A 20.853 12.346 4.701 1.000 1 A 60.500 1
ATOM 2764 H HB2 . SER 168 168 ? A 20.274 14.657 4.021 1.000 1 A 60.500 1
ATOM 2765 H HB3 . SER 168 168 ? A 19.045 13.458 3.611 1.000 1 A 60.500 1
ATOM 2766 H HG . SER 168 168 ? A 18.847 15.035 5.970 1.000 1 A 60.500 1
ATOM 2767 N N . CYS 169 169 ? A 20.611 14.081 7.496 1.000 1 A 55.980 1
ATOM 2768 C CA . CYS 169 169 ? A 21.412 14.657 8.574 1.000 1 A 55.980 1
ATOM 2769 C C . CYS 169 169 ? A 22.377 13.631 9.186 1.000 1 A 55.980 1
ATOM 2770 O O . CYS 169 169 ? A 23.559 13.923 9.307 1.000 1 A 55.980 1
ATOM 2771 C CB . CYS 169 169 ? A 20.480 15.257 9.635 1.000 1 A 55.980 1
ATOM 2772 S SG . CYS 169 169 ? A 19.648 16.724 8.961 1.000 1 A 55.980 1
ATOM 2773 H H . CYS 169 169 ? A 19.613 14.014 7.638 1.000 1 A 55.980 1
ATOM 2774 H HA . CYS 169 169 ? A 22.026 15.460 8.168 1.000 1 A 55.980 1
ATOM 2775 H HB2 . CYS 169 169 ? A 19.742 14.518 9.945 1.000 1 A 55.980 1
ATOM 2776 H HB3 . CYS 169 169 ? A 21.071 15.554 10.502 1.000 1 A 55.980 1
ATOM 2777 H HG . CYS 169 169 ? A 18.919 17.021 10.040 1.000 1 A 55.980 1
ATOM 2778 N N . VAL 170 170 ? A 21.927 12.414 9.516 1.000 1 A 60.400 1
ATOM 2779 C CA . VAL 170 170 ? A 22.798 11.353 10.068 1.000 1 A 60.400 1
ATOM 2780 C C . VAL 170 170 ? A 23.898 10.953 9.082 1.000 1 A 60.400 1
ATOM 2781 O O . VAL 170 170 ? A 25.044 10.770 9.487 1.000 1 A 60.400 1
ATOM 2782 C CB . VAL 170 170 ? A 21.961 10.126 10.488 1.000 1 A 60.400 1
ATOM 2783 C CG1 . VAL 170 170 ? A 22.801 8.881 10.819 1.000 1 A 60.400 1
ATOM 2784 C CG2 . VAL 170 170 ? A 21.134 10.446 11.739 1.000 1 A 60.400 1
ATOM 2785 H H . VAL 170 170 ? A 20.940 12.226 9.422 1.000 1 A 60.400 1
ATOM 2786 H HA . VAL 170 170 ? A 23.301 11.739 10.954 1.000 1 A 60.400 1
ATOM 2787 H HB . VAL 170 170 ? A 21.282 9.866 9.676 1.000 1 A 60.400 1
ATOM 2788 H HG11 . VAL 170 170 ? A 23.523 9.115 11.601 1.000 1 A 60.400 1
ATOM 2789 H HG12 . VAL 170 170 ? A 23.330 8.531 9.932 1.000 1 A 60.400 1
ATOM 2790 H HG13 . VAL 170 170 ? A 22.149 8.080 11.166 1.000 1 A 60.400 1
ATOM 2791 H HG21 . VAL 170 170 ? A 21.794 10.623 12.589 1.000 1 A 60.400 1
ATOM 2792 H HG22 . VAL 170 170 ? A 20.526 11.338 11.587 1.000 1 A 60.400 1
ATOM 2793 H HG23 . VAL 170 170 ? A 20.469 9.613 11.969 1.000 1 A 60.400 1
ATOM 2794 N N . GLN 171 171 ? A 23.583 10.839 7.789 1.000 1 A 63.860 1
ATOM 2795 C CA . GLN 171 171 ? A 24.583 10.527 6.768 1.000 1 A 63.860 1
ATOM 2796 C C . GLN 171 171 ? A 25.599 11.664 6.610 1.000 1 A 63.860 1
ATOM 2797 O O . GLN 171 171 ? A 26.791 11.395 6.482 1.000 1 A 63.860 1
ATOM 2798 C CB . GLN 171 171 ? A 23.888 10.209 5.435 1.000 1 A 63.860 1
ATOM 2799 C CG . GLN 171 171 ? A 24.874 9.658 4.390 1.000 1 A 63.860 1
ATOM 2800 C CD . GLN 171 171 ? A 25.533 8.348 4.825 1.000 1 A 63.860 1
ATOM 2801 O OE1 . GLN 171 171 ? A 24.912 7.473 5.413 1.000 1 A 63.860 1
ATOM 2802 N NE2 . GLN 171 171 ? A 26.813 8.166 4.588 1.000 1 A 63.860 1
ATOM 2803 H H . GLN 171 171 ? A 22.627 10.990 7.501 1.000 1 A 63.860 1
ATOM 2804 H HA . GLN 171 171 ? A 25.132 9.645 7.098 1.000 1 A 63.860 1
ATOM 2805 H HB2 . GLN 171 171 ? A 23.421 11.114 5.044 1.000 1 A 63.860 1
ATOM 2806 H HB3 . GLN 171 171 ? A 23.106 9.470 5.604 1.000 1 A 63.860 1
ATOM 2807 H HG2 . GLN 171 171 ? A 24.337 9.472 3.460 1.000 1 A 63.860 1
ATOM 2808 H HG3 . GLN 171 171 ? A 25.643 10.402 4.181 1.000 1 A 63.860 1
ATOM 2809 H HE21 . GLN 171 171 ? A 27.218 7.288 4.880 1.000 1 A 63.860 1
ATOM 2810 H HE22 . GLN 171 171 ? A 27.417 8.930 4.320 1.000 1 A 63.860 1
ATOM 2811 N N . LEU 172 172 ? A 25.148 12.921 6.667 1.000 1 A 62.110 1
ATOM 2812 C CA . LEU 172 172 ? A 26.030 14.085 6.659 1.000 1 A 62.110 1
ATOM 2813 C C . LEU 172 172 ? A 26.954 14.084 7.887 1.000 1 A 62.110 1
ATOM 2814 O O . LEU 172 172 ? A 28.160 14.229 7.733 1.000 1 A 62.110 1
ATOM 2815 C CB . LEU 172 172 ? A 25.178 15.363 6.598 1.000 1 A 62.110 1
ATOM 2816 C CG . LEU 172 172 ? A 26.007 16.607 6.220 1.000 1 A 62.110 1
ATOM 2817 C CD1 . LEU 172 172 ? A 25.801 16.956 4.745 1.000 1 A 62.110 1
ATOM 2818 C CD2 . LEU 172 172 ? A 25.596 17.808 7.068 1.000 1 A 62.110 1
ATOM 2819 H H . LEU 172 172 ? A 24.154 13.083 6.738 1.000 1 A 62.110 1
ATOM 2820 H HA . LEU 172 172 ? A 26.659 14.037 5.770 1.000 1 A 62.110 1
ATOM 2821 H HB2 . LEU 172 172 ? A 24.381 15.235 5.866 1.000 1 A 62.110 1
ATOM 2822 H HB3 . LEU 172 172 ? A 24.706 15.514 7.569 1.000 1 A 62.110 1
ATOM 2823 H HG . LEU 172 172 ? A 27.067 16.422 6.391 1.000 1 A 62.110 1
ATOM 2824 H HD11 . LEU 172 172 ? A 24.756 17.205 4.557 1.000 1 A 62.110 1
ATOM 2825 H HD12 . LEU 172 172 ? A 26.090 16.108 4.124 1.000 1 A 62.110 1
ATOM 2826 H HD13 . LEU 172 172 ? A 26.425 17.810 4.484 1.000 1 A 62.110 1
ATOM 2827 H HD21 . LEU 172 172 ? A 25.789 17.594 8.119 1.000 1 A 62.110 1
ATOM 2828 H HD22 . LEU 172 172 ? A 24.537 18.025 6.929 1.000 1 A 62.110 1
ATOM 2829 H HD23 . LEU 172 172 ? A 26.186 18.678 6.781 1.000 1 A 62.110 1
ATOM 2830 N N . LEU 173 173 ? A 26.416 13.845 9.088 1.000 1 A 65.150 1
ATOM 2831 C CA . LEU 173 173 ? A 27.202 13.780 10.324 1.000 1 A 65.150 1
ATOM 2832 C C . LEU 173 173 ? A 28.258 12.665 10.275 1.000 1 A 65.150 1
ATOM 2833 O O . LEU 173 173 ? A 29.399 12.910 10.655 1.000 1 A 65.150 1
ATOM 2834 C CB . LEU 173 173 ? A 26.270 13.597 11.535 1.000 1 A 65.150 1
ATOM 2835 C CG . LEU 173 173 ? A 25.370 14.796 11.883 1.000 1 A 65.150 1
ATOM 2836 C CD1 . LEU 173 173 ? A 24.380 14.388 12.975 1.000 1 A 65.150 1
ATOM 2837 C CD2 . LEU 173 173 ? A 26.166 15.998 12.381 1.000 1 A 65.150 1
ATOM 2838 H H . LEU 173 173 ? A 25.413 13.745 9.148 1.000 1 A 65.150 1
ATOM 2839 H HA . LEU 173 173 ? A 27.750 14.715 10.437 1.000 1 A 65.150 1
ATOM 2840 H HB2 . LEU 173 173 ? A 25.644 12.722 11.359 1.000 1 A 65.150 1
ATOM 2841 H HB3 . LEU 173 173 ? A 26.889 13.399 12.410 1.000 1 A 65.150 1
ATOM 2842 H HG . LEU 173 173 ? A 24.807 15.118 11.006 1.000 1 A 65.150 1
ATOM 2843 H HD11 . LEU 173 173 ? A 24.921 14.085 13.872 1.000 1 A 65.150 1
ATOM 2844 H HD12 . LEU 173 173 ? A 23.767 13.558 12.623 1.000 1 A 65.150 1
ATOM 2845 H HD13 . LEU 173 173 ? A 23.729 15.229 13.215 1.000 1 A 65.150 1
ATOM 2846 H HD21 . LEU 173 173 ? A 26.789 15.714 13.229 1.000 1 A 65.150 1
ATOM 2847 H HD22 . LEU 173 173 ? A 26.787 16.384 11.573 1.000 1 A 65.150 1
ATOM 2848 H HD23 . LEU 173 173 ? A 25.484 16.791 12.690 1.000 1 A 65.150 1
ATOM 2849 N N . ARG 174 174 ? A 27.919 11.484 9.737 1.000 1 A 67.530 1
ATOM 2850 C CA . ARG 174 174 ? A 28.880 10.388 9.507 1.000 1 A 67.530 1
ATOM 2851 C C . ARG 174 174 ? A 29.965 10.764 8.502 1.000 1 A 67.530 1
ATOM 2852 O O . ARG 174 174 ? A 31.138 10.535 8.763 1.000 1 A 67.530 1
ATOM 2853 C CB . ARG 174 174 ? A 28.150 9.134 9.016 1.000 1 A 67.530 1
ATOM 2854 C CG . ARG 174 174 ? A 27.411 8.428 10.153 1.000 1 A 67.530 1
ATOM 2855 C CD . ARG 174 174 ? A 26.658 7.231 9.574 1.000 1 A 67.530 1
ATOM 2856 N NE . ARG 174 174 ? A 26.014 6.450 10.640 1.000 1 A 67.530 1
ATOM 2857 C CZ . ARG 174 174 ? A 25.284 5.366 10.467 1.000 1 A 67.530 1
ATOM 2858 N NH1 . ARG 174 174 ? A 25.012 4.902 9.276 1.000 1 A 67.530 1
ATOM 2859 N NH2 . ARG 174 174 ? A 24.821 4.723 11.501 1.000 1 A 67.530 1
ATOM 2860 H H . ARG 174 174 ? A 26.953 11.348 9.477 1.000 1 A 67.530 1
ATOM 2861 H HA . ARG 174 174 ? A 29.401 10.161 10.437 1.000 1 A 67.530 1
ATOM 2862 H HB2 . ARG 174 174 ? A 28.883 8.440 8.605 1.000 1 A 67.530 1
ATOM 2863 H HB3 . ARG 174 174 ? A 27.451 9.403 8.224 1.000 1 A 67.530 1
ATOM 2864 H HG2 . ARG 174 174 ? A 28.134 8.087 10.894 1.000 1 A 67.530 1
ATOM 2865 H HG3 . ARG 174 174 ? A 26.706 9.108 10.629 1.000 1 A 67.530 1
ATOM 2866 H HD2 . ARG 174 174 ? A 27.366 6.598 9.038 1.000 1 A 67.530 1
ATOM 2867 H HD3 . ARG 174 174 ? A 25.908 7.598 8.873 1.000 1 A 67.530 1
ATOM 2868 H HE . ARG 174 174 ? A 26.223 6.742 11.583 1.000 1 A 67.530 1
ATOM 2869 H HH11 . ARG 174 174 ? A 24.538 4.019 9.151 1.000 1 A 67.530 1
ATOM 2870 H HH12 . ARG 174 174 ? A 25.373 5.410 8.481 1.000 1 A 67.530 1
ATOM 2871 H HH21 . ARG 174 174 ? A 25.079 5.041 12.424 1.000 1 A 67.530 1
ATOM 2872 H HH22 . ARG 174 174 ? A 24.305 3.862 11.388 1.000 1 A 67.530 1
ATOM 2873 N N . ASN 175 175 ? A 29.595 11.381 7.379 1.000 1 A 69.300 1
ATOM 2874 C CA . ASN 175 175 ? A 30.562 11.857 6.383 1.000 1 A 69.300 1
ATOM 2875 C C . ASN 175 175 ? A 31.486 12.953 6.952 1.000 1 A 69.300 1
ATOM 2876 O O . ASN 175 175 ? A 32.613 13.108 6.490 1.000 1 A 69.300 1
ATOM 2877 C CB . ASN 175 175 ? A 29.808 12.373 5.145 1.000 1 A 69.300 1
ATOM 2878 C CG . ASN 175 175 ? A 29.112 11.308 4.312 1.000 1 A 69.300 1
ATOM 2879 O OD1 . ASN 175 175 ? A 29.173 10.108 4.526 1.000 1 A 69.300 1
ATOM 2880 N ND2 . ASN 175 175 ? A 28.416 11.728 3.281 1.000 1 A 69.300 1
ATOM 2881 H H . ASN 175 175 ? A 28.610 11.522 7.208 1.000 1 A 69.300 1
ATOM 2882 H HA . ASN 175 175 ? A 31.205 11.027 6.088 1.000 1 A 69.300 1
ATOM 2883 H HB2 . ASN 175 175 ? A 29.071 13.113 5.458 1.000 1 A 69.300 1
ATOM 2884 H HB3 . ASN 175 175 ? A 30.526 12.873 4.494 1.000 1 A 69.300 1
ATOM 2885 H HD21 . ASN 175 175 ? A 28.033 11.021 2.670 1.000 1 A 69.300 1
ATOM 2886 H HD22 . ASN 175 175 ? A 28.378 12.716 3.075 1.000 1 A 69.300 1
ATOM 2887 N N . CYS 176 176 ? A 31.019 13.699 7.957 1.000 1 A 79.190 1
ATOM 2888 C CA . CYS 176 176 ? A 31.794 14.700 8.685 1.000 1 A 79.190 1
ATOM 2889 C C . CYS 176 176 ? A 32.537 14.150 9.923 1.000 1 A 79.190 1
ATOM 2890 O O . CYS 176 176 ? A 33.160 14.945 10.622 1.000 1 A 79.190 1
ATOM 2891 C CB . CYS 176 176 ? A 30.866 15.869 9.059 1.000 1 A 79.190 1
ATOM 2892 S SG . CYS 176 176 ? A 30.249 16.732 7.581 1.000 1 A 79.190 1
ATOM 2893 H H . CYS 176 176 ? A 30.045 13.599 8.206 1.000 1 A 79.190 1
ATOM 2894 H HA . CYS 176 176 ? A 32.572 15.086 8.026 1.000 1 A 79.190 1
ATOM 2895 H HB2 . CYS 176 176 ? A 30.026 15.491 9.641 1.000 1 A 79.190 1
ATOM 2896 H HB3 . CYS 176 176 ? A 31.420 16.579 9.674 1.000 1 A 79.190 1
ATOM 2897 H HG . CYS 176 176 ? A 31.445 16.995 7.045 1.000 1 A 79.190 1
ATOM 2898 N N . ASN 177 177 ? A 32.491 12.839 10.215 1.000 1 A 80.440 1
ATOM 2899 C CA . ASN 177 177 ? A 33.029 12.216 11.441 1.000 1 A 80.440 1
ATOM 2900 C C . ASN 177 177 ? A 32.512 12.844 12.757 1.000 1 A 80.440 1
ATOM 2901 O O . ASN 177 177 ? A 33.233 12.889 13.753 1.000 1 A 80.440 1
ATOM 2902 C CB . ASN 177 177 ? A 34.570 12.156 11.392 1.000 1 A 80.440 1
ATOM 2903 C CG . ASN 177 177 ? A 35.124 11.364 10.230 1.000 1 A 80.440 1
ATOM 2904 O OD1 . ASN 177 177 ? A 34.712 10.260 9.928 1.000 1 A 80.440 1
ATOM 2905 N ND2 . ASN 177 177 ? A 36.116 11.888 9.549 1.000 1 A 80.440 1
ATOM 2906 H H . ASN 177 177 ? A 32.000 12.225 9.581 1.000 1 A 80.440 1
ATOM 2907 H HA . ASN 177 177 ? A 32.668 11.188 11.455 1.000 1 A 80.440 1
ATOM 2908 H HB2 . ASN 177 177 ? A 34.966 13.171 11.376 1.000 1 A 80.440 1
ATOM 2909 H HB3 . ASN 177 177 ? A 34.935 11.674 12.299 1.000 1 A 80.440 1
ATOM 2910 H HD21 . ASN 177 177 ? A 36.441 11.344 8.763 1.000 1 A 80.440 1
ATOM 2911 H HD22 . ASN 177 177 ? A 36.443 12.818 9.772 1.000 1 A 80.440 1
ATOM 2912 N N . LEU 178 178 ? A 31.284 13.371 12.765 1.000 1 A 67.590 1
ATOM 2913 C CA . LEU 178 178 ? A 30.674 14.007 13.942 1.000 1 A 67.590 1
ATOM 2914 C C . LEU 178 178 ? A 29.924 13.019 14.849 1.000 1 A 67.590 1
ATOM 2915 O O . LEU 178 178 ? A 29.586 13.380 15.976 1.000 1 A 67.590 1
ATOM 2916 C CB . LEU 178 178 ? A 29.755 15.153 13.481 1.000 1 A 67.590 1
ATOM 2917 C CG . LEU 178 178 ? A 30.503 16.363 12.892 1.000 1 A 67.590 1
ATOM 2918 C CD1 . LEU 178 178 ? A 29.499 17.351 12.296 1.000 1 A 67.590 1
ATOM 2919 C CD2 . LEU 178 178 ? A 31.326 17.111 13.944 1.000 1 A 67.590 1
ATOM 2920 H H . LEU 178 178 ? A 30.729 13.277 11.926 1.000 1 A 67.590 1
ATOM 2921 H HA . LEU 178 178 ? A 31.464 14.421 14.568 1.000 1 A 67.590 1
ATOM 2922 H HB2 . LEU 178 178 ? A 29.064 14.761 12.735 1.000 1 A 67.590 1
ATOM 2923 H HB3 . LEU 178 178 ? A 29.167 15.496 14.332 1.000 1 A 67.590 1
ATOM 2924 H HG . LEU 178 178 ? A 31.166 16.034 12.092 1.000 1 A 67.590 1
ATOM 2925 H HD11 . LEU 178 178 ? A 28.780 17.661 13.054 1.000 1 A 67.590 1
ATOM 2926 H HD12 . LEU 178 178 ? A 28.983 16.878 11.460 1.000 1 A 67.590 1
ATOM 2927 H HD13 . LEU 178 178 ? A 30.027 18.227 11.917 1.000 1 A 67.590 1
ATOM 2928 H HD21 . LEU 178 178 ? A 32.128 16.470 14.310 1.000 1 A 67.590 1
ATOM 2929 H HD22 . LEU 178 178 ? A 30.691 17.409 14.778 1.000 1 A 67.590 1
ATOM 2930 H HD23 . LEU 178 178 ? A 31.783 17.993 13.496 1.000 1 A 67.590 1
ATOM 2931 N N . ILE 179 179 ? A 29.660 11.805 14.359 1.000 1 A 73.960 1
ATOM 2932 C CA . ILE 179 179 ? A 29.082 10.654 15.071 1.000 1 A 73.960 1
ATOM 2933 C C . ILE 179 179 ? A 29.627 9.348 14.498 1.000 1 A 73.960 1
ATOM 2934 O O . ILE 179 179 ? A 30.043 9.363 13.315 1.000 1 A 73.960 1
ATOM 2935 C CB . ILE 179 179 ? A 27.538 10.630 15.017 1.000 1 A 73.960 1
ATOM 2936 C CG1 . ILE 179 179 ? A 27.031 10.535 13.561 1.000 1 A 73.960 1
ATOM 2937 C CG2 . ILE 179 179 ? A 26.940 11.819 15.786 1.000 1 A 73.960 1
ATOM 2938 C CD1 . ILE 179 179 ? A 25.507 10.525 13.416 1.000 1 A 73.960 1
ATOM 2939 O OXT . ILE 179 179 ? A 29.497 8.343 15.224 1.000 1 A 73.960 1
ATOM 2940 H H . ILE 179 179 ? A 30.041 11.576 13.451 1.000 1 A 73.960 1
ATOM 2941 H HA . ILE 179 179 ? A 29.402 10.675 16.113 1.000 1 A 73.960 1
ATOM 2942 H HB . ILE 179 179 ? A 27.220 9.725 15.535 1.000 1 A 73.960 1
ATOM 2943 H HG12 . ILE 179 179 ? A 27.400 9.610 13.118 1.000 1 A 73.960 1
ATOM 2944 H HG13 . ILE 179 179 ? A 27.438 11.359 12.975 1.000 1 A 73.960 1
ATOM 2945 H HG21 . ILE 179 179 ? A 25.875 11.666 15.959 1.000 1 A 73.960 1
ATOM 2946 H HG22 . ILE 179 179 ? A 27.437 11.911 16.752 1.000 1 A 73.960 1
ATOM 2947 H HG23 . ILE 179 179 ? A 27.093 12.742 15.227 1.000 1 A 73.960 1
ATOM 2948 H HD11 . ILE 179 179 ? A 25.084 9.705 13.996 1.000 1 A 73.960 1
ATOM 2949 H HD12 . ILE 179 179 ? A 25.086 11.471 13.755 1.000 1 A 73.960 1
ATOM 2950 H HD13 . ILE 179 179 ? A 25.257 10.393 12.363 1.000 1 A 73.960 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 88.953

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 63.600
2 1 A 2 GLU 2 76.360
3 1 A 3 GLY 2 83.980
4 1 A 4 GLU 2 86.220
5 1 A 5 GLU 2 89.820
6 1 A 6 LEU 2 92.500
7 1 A 7 ILE 2 92.910
8 1 A 8 TYR 2 94.300
9 1 A 9 HIS 2 95.890
10 1 A 10 ASN 2 95.960
11 1 A 11 ILE 2 96.200
12 1 A 12 ILE 2 97.900
13 1 A 13 ASN 2 97.580
14 1 A 14 GLU 2 96.760
15 1 A 15 ILE 2 97.460
16 1 A 16 LEU 2 98.490
17 1 A 17 VAL 2 98.310
18 1 A 18 GLY 2 97.930
19 1 A 19 TYR 2 98.500
20 1 A 20 ILE 2 98.550
21 1 A 21 LYS 2 98.370
22 1 A 22 TYR 2 98.350
23 1 A 23 TYR 2 98.190
24 1 A 24 ILE 2 97.150
25 1 A 25 ASN 2 97.500
26 1 A 26 ASP 2 97.610
27 1 A 27 ILE 2 97.680
28 1 A 28 SER 2 96.990
29 1 A 29 GLU 2 95.680
30 1 A 30 HIS 2 96.180
31 1 A 31 GLU 2 97.490
32 1 A 32 LEU 2 97.390
33 1 A 33 SER 2 97.260
34 1 A 34 PRO 2 96.230
35 1 A 35 TYR 2 97.010
36 1 A 36 GLN 2 97.910
37 1 A 37 GLN 2 96.560
38 1 A 38 GLN 2 95.620
39 1 A 39 ILE 2 96.400
40 1 A 40 LYS 2 96.220
41 1 A 41 LYS 2 94.140
42 1 A 42 ILE 2 93.190
43 1 A 43 LEU 2 95.770
44 1 A 44 THR 2 93.950
45 1 A 45 TYR 2 91.250
46 1 A 46 TYR 2 91.200
47 1 A 47 ASP 2 91.280
48 1 A 48 GLU 2 90.120
49 1 A 49 CYS 2 85.470
50 1 A 50 LEU 2 81.130
51 1 A 51 ASN 2 80.880
52 1 A 52 LYS 2 76.700
53 1 A 53 GLN 2 71.780
54 1 A 54 VAL 2 69.980
55 1 A 55 THR 2 73.130
56 1 A 56 ILE 2 72.300
57 1 A 57 THR 2 74.450
58 1 A 58 PHE 2 78.630
59 1 A 59 SER 2 78.320
60 1 A 60 LEU 2 82.260
61 1 A 61 THR 2 85.820
62 1 A 62 SER 2 91.310
63 1 A 63 VAL 2 93.980
64 1 A 64 GLN 2 92.740
65 1 A 65 GLU 2 89.620
66 1 A 66 ILE 2 90.920
67 1 A 67 LYS 2 93.380
68 1 A 68 THR 2 90.170
69 1 A 69 GLN 2 87.750
70 1 A 70 PHE 2 91.760
71 1 A 71 THR 2 91.750
72 1 A 72 GLY 2 89.670
73 1 A 73 VAL 2 88.320
74 1 A 74 VAL 2 92.180
75 1 A 75 THR 2 92.660
76 1 A 76 GLU 2 89.030
77 1 A 77 LEU 2 90.410
78 1 A 78 PHE 2 94.020
79 1 A 79 LYS 2 91.160
80 1 A 80 ASP 2 90.000
81 1 A 81 LEU 2 93.010
82 1 A 82 ILE 2 95.320
83 1 A 83 ASN 2 94.480
84 1 A 84 TRP 2 95.590
85 1 A 85 GLY 2 93.630
86 1 A 86 ARG 2 93.560
87 1 A 87 ILE 2 96.320
88 1 A 88 CYS 2 95.100
89 1 A 89 GLY 2 92.650
90 1 A 90 PHE 2 95.510
91 1 A 91 ILE 2 97.490
92 1 A 92 VAL 2 95.040
93 1 A 93 PHE 2 92.960
94 1 A 94 SER 2 96.920
95 1 A 95 ALA 2 97.290
96 1 A 96 LYS 2 94.090
97 1 A 97 MET 2 94.360
98 1 A 98 ALA 2 96.940
99 1 A 99 LYS 2 95.660
100 1 A 100 TYR 2 93.280
101 1 A 101 CYS 2 94.670
102 1 A 102 LYS 2 94.940
103 1 A 103 ASP 2 94.140
104 1 A 104 ALA 2 91.940
105 1 A 105 ASN 2 91.700
106 1 A 106 ASN 2 91.870
107 1 A 107 HIS 2 93.840
108 1 A 108 LEU 2 96.190
109 1 A 109 GLU 2 96.380
110 1 A 110 SER 2 96.960
111 1 A 111 THR 2 97.560
112 1 A 112 VAL 2 97.660
113 1 A 113 ILE 2 98.280
114 1 A 114 THR 2 98.150
115 1 A 115 THR 2 98.130
116 1 A 116 ALA 2 98.480
117 1 A 117 TYR 2 98.540
118 1 A 118 ASN 2 97.810
119 1 A 119 PHE 2 98.100
120 1 A 120 MET 2 98.210
121 1 A 121 LYS 2 97.470
122 1 A 122 HIS 2 96.350
123 1 A 123 ASN 2 96.980
124 1 A 124 LEU 2 97.730
125 1 A 125 LEU 2 97.230
126 1 A 126 PRO 2 96.430
127 1 A 127 TRP 2 97.800
128 1 A 128 MET 2 97.720
129 1 A 129 ILE 2 96.200
130 1 A 130 SER 2 97.010
131 1 A 131 HIS 2 97.090
132 1 A 132 GLY 2 95.380
133 1 A 133 GLY 2 95.110
134 1 A 134 GLN 2 95.240
135 1 A 135 GLU 2 95.860
136 1 A 136 GLU 2 96.560
137 1 A 137 PHE 2 96.560
138 1 A 138 LEU 2 96.170
139 1 A 139 ALA 2 95.430
140 1 A 140 PHE 2 93.830
141 1 A 141 SER 2 91.620
142 1 A 142 LEU 2 91.500
143 1 A 143 HIS 2 88.730
144 1 A 144 SER 2 85.400
145 1 A 145 ASP 2 80.580
146 1 A 146 MET 2 74.180
147 1 A 147 TYR 2 76.820
148 1 A 148 SER 2 79.390
149 1 A 149 VAL 2 78.250
150 1 A 150 ILE 2 77.860
151 1 A 151 PHE 2 80.230
152 1 A 152 ASN 2 81.900
153 1 A 153 ILE 2 77.220
154 1 A 154 LYS 2 79.870
155 1 A 155 TYR 2 81.590
156 1 A 156 PHE 2 80.410
157 1 A 157 LEU 2 77.170
158 1 A 158 SER 2 80.320
159 1 A 159 LYS 2 78.720
160 1 A 160 PHE 2 75.310
161 1 A 161 CYS 2 73.870
162 1 A 162 ASN 2 71.070
163 1 A 163 HIS 2 71.920
164 1 A 164 MET 2 71.130
165 1 A 165 PHE 2 63.520
166 1 A 166 PHE 2 59.600
167 1 A 167 ARG 2 63.970
168 1 A 168 SER 2 60.500
169 1 A 169 CYS 2 55.980
170 1 A 170 VAL 2 60.400
171 1 A 171 GLN 2 63.860
172 1 A 172 LEU 2 62.110
173 1 A 173 LEU 2 65.150
174 1 A 174 ARG 2 67.530
175 1 A 175 ASN 2 69.300
176 1 A 176 CYS 2 79.190
177 1 A 177 ASN 2 80.440
178 1 A 178 LEU 2 67.590
179 1 A 179 ILE 2 73.960

_database_2.database_id ModelArchive
_database_2.database_code ma-asfv-asfvg-006
_database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-006

_pdbx_database_status.entry_id ma-asfv-asfvg-006
_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'